#METABOLOMICS WORKBENCH vanvlietphd_20251119_001956 DATATRACK_ID:6722 STUDY_ID:ST004389 ANALYSIS_ID:AN007333 PROJECT_ID:PR002782 VERSION 1 CREATED_ON November 26, 2025, 9:58 am #PROJECT PR:PROJECT_TITLE Longitudinal Multi-omics Profiling Reveals Different Adaptation to Heat Stress PR:PROJECT_TITLE in Genomically Divergent Lactating Sows PR:PROJECT_SUMMARY Heat stress (HS) poses a growing threat to health and productivity across PR:PROJECT_SUMMARY mammals, a problem exacerbated by climate change. Simultaneously, the gut PR:PROJECT_SUMMARY microbiome plays a crucial role in host adaptation to environmental stressors, PR:PROJECT_SUMMARY yet the molecular mechanisms underlying microbiome-mediated heat tolerance PR:PROJECT_SUMMARY remain poorly understood. Although multi-omics profiling has recently emerged as PR:PROJECT_SUMMARY a powerful tool to explore host–microbiome interactions, no prior study, to PR:PROJECT_SUMMARY our knowledge, has simultaneously integrated metagenomics, metatranscriptomics, PR:PROJECT_SUMMARY and metabolomics in genetically characterized lactating mammals under HS PR:PROJECT_SUMMARY conditions. Here, we present a time-resolved, multi-omics analysis of PR:PROJECT_SUMMARY genomically divergent sows (heat-tolerant, TOL, and heat-sensitive, SEN) exposed PR:PROJECT_SUMMARY to controlled HS, with the aim of identifying microbial and metabolic signatures PR:PROJECT_SUMMARY of resilience. Metagenomic analyses revealed enrichment of specific taxa in TOL PR:PROJECT_SUMMARY sows, including Treponema, F23-B02, and Bifidobacterium, with both enduring and PR:PROJECT_SUMMARY time-specific effects. Metatranscriptomic profiling uncovered functional PR:PROJECT_SUMMARY reprogramming in carbohydrate metabolism, membrane remodeling, and oxidative PR:PROJECT_SUMMARY stress responses in TOL animals. These findings were further supported by PR:PROJECT_SUMMARY metabolomic signatures indicating alterations in lipid turnover, amino acid PR:PROJECT_SUMMARY metabolism, and redox homeostasis. Finally, integration of multi-omics data PR:PROJECT_SUMMARY highlighted coordinated, time-specific microbial responses in TOL sows, PR:PROJECT_SUMMARY reflecting robust host–microbiome adaptations to HS. By identifying candidate PR:PROJECT_SUMMARY microbial biomarkers and conserved functional pathways, this study provides new PR:PROJECT_SUMMARY insights into mammalian HS resilience and establishes a framework for PR:PROJECT_SUMMARY cross-species investigations into heat resilience, stress physiology, and PR:PROJECT_SUMMARY microbiome-targeted interventions. PR:INSTITUTE North Carolina State University PR:LAST_NAME Van Vliet PR:FIRST_NAME Stephan PR:ADDRESS Center for Human Nutrition Studies, Department of Nutrition, Dietetics, and Food PR:ADDRESS Sciences, Utah State University, Logan, UT PR:EMAIL stephan.vanvliet@usu.edu PR:PHONE 1217785001 #STUDY ST:STUDY_TITLE Longitudinal Multi-omics Profiling Reveals Different Adaptation to Heat Stress ST:STUDY_TITLE in Genomically Divergent Lactating Sows ST:STUDY_SUMMARY Heat stress (HS) poses a growing threat to health and productivity across ST:STUDY_SUMMARY mammals, a problem exacerbated by climate change. Simultaneously, the gut ST:STUDY_SUMMARY microbiome plays a crucial role in host adaptation to environmental stressors, ST:STUDY_SUMMARY yet the molecular mechanisms underlying microbiome-mediated heat tolerance ST:STUDY_SUMMARY remain poorly understood. Although multi-omics profiling has recently emerged as ST:STUDY_SUMMARY a powerful tool to explore host–microbiome interactions, no prior study, to ST:STUDY_SUMMARY our knowledge, has simultaneously integrated metagenomics, metatranscriptomics, ST:STUDY_SUMMARY and metabolomics in genetically characterized lactating mammals under HS ST:STUDY_SUMMARY conditions. Here, we present a time-resolved, multi-omics analysis of ST:STUDY_SUMMARY genomically divergent sows (heat-tolerant, TOL, and heat-sensitive, SEN) exposed ST:STUDY_SUMMARY to controlled HS, with the aim of identifying microbial and metabolic signatures ST:STUDY_SUMMARY of resilience. Metagenomic analyses revealed enrichment of specific taxa in TOL ST:STUDY_SUMMARY sows, including Treponema, F23-B02, and Bifidobacterium, with both enduring and ST:STUDY_SUMMARY time-specific effects. Metatranscriptomic profiling uncovered functional ST:STUDY_SUMMARY reprogramming in carbohydrate metabolism, membrane remodeling, and oxidative ST:STUDY_SUMMARY stress responses in TOL animals. These findings were further supported by ST:STUDY_SUMMARY metabolomic signatures indicating alterations in lipid turnover, amino acid ST:STUDY_SUMMARY metabolism, and redox homeostasis. Finally, integration of multi-omics data ST:STUDY_SUMMARY highlighted coordinated, time-specific microbial responses in TOL sows, ST:STUDY_SUMMARY reflecting robust host–microbiome adaptations to HS. By identifying candidate ST:STUDY_SUMMARY microbial biomarkers and conserved functional pathways, this study provides new ST:STUDY_SUMMARY insights into mammalian HS resilience and establishes a framework for ST:STUDY_SUMMARY cross-species investigations into heat resilience, stress physiology, and ST:STUDY_SUMMARY microbiome-targeted interventions. ST:INSTITUTE North Carolina State University ST:LAST_NAME Van Vliet ST:FIRST_NAME Stephan ST:ADDRESS Center for Human Nutrition Studies, Department of Nutrition, Dietetics, and Food ST:ADDRESS Sciences, Utah State University, Logan, UT ST:EMAIL stephan.vanvliet@usu.edu ST:PHONE 1217785001 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Sus scrofa domesticus SU:TAXONOMY_ID 9825 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - P76969T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405037a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405037a_N.mzML SUBJECT_SAMPLE_FACTORS - P76969T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405038a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405038a_N.mzML SUBJECT_SAMPLE_FACTORS - P76969T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405039a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405039a_N.mzML SUBJECT_SAMPLE_FACTORS - P76969T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405040a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405040a_N.mzML SUBJECT_SAMPLE_FACTORS - P79416T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405041a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405041a_N.mzML SUBJECT_SAMPLE_FACTORS - P79416T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405042a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405042a_N.mzML SUBJECT_SAMPLE_FACTORS - P79416T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405043a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405043a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405044a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405044a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405045a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405045a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405046a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405046a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405047a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405047a_N.mzML SUBJECT_SAMPLE_FACTORS - P81239T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405048a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405048a_N.mzML SUBJECT_SAMPLE_FACTORS - P81239T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405049a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405049a_N.mzML SUBJECT_SAMPLE_FACTORS - P81239T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405050a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405050a_N.mzML SUBJECT_SAMPLE_FACTORS - P82972T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405051a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405051a_N.mzML SUBJECT_SAMPLE_FACTORS - P82972T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405052a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405052a_N.mzML SUBJECT_SAMPLE_FACTORS - P82972T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405053a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405053a_N.mzML SUBJECT_SAMPLE_FACTORS - P83109T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405054a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405054a_N.mzML SUBJECT_SAMPLE_FACTORS - P83109T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405055a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405055a_N.mzML SUBJECT_SAMPLE_FACTORS - P83143T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405056a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405056a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405057a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405057a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405058a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405058a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405059a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405059a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405060a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405060a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405061a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405061a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405062a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405062a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405063a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405063a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405064a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405064a_N.mzML SUBJECT_SAMPLE_FACTORS - P84253T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405065a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405065a_N.mzML SUBJECT_SAMPLE_FACTORS - P84253T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405066a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405066a_N.mzML SUBJECT_SAMPLE_FACTORS - P84637T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405067a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405067a_N.mzML SUBJECT_SAMPLE_FACTORS - P84637T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405068a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405068a_N.mzML SUBJECT_SAMPLE_FACTORS - P84660T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405069a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405069a_N.mzML SUBJECT_SAMPLE_FACTORS - P84660T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405070a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405070a_N.mzML SUBJECT_SAMPLE_FACTORS - P84660T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405071a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405071a_N.mzML SUBJECT_SAMPLE_FACTORS - P84769T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405072a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405072a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405073a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405073a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405074a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405074a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405075a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405075a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405076a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405076a_N.mzML SUBJECT_SAMPLE_FACTORS - P87611T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405077a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405077a_N.mzML SUBJECT_SAMPLE_FACTORS - P87798T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405078a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405078a_N.mzML SUBJECT_SAMPLE_FACTORS - P87798T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405079a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405079a_N.mzML SUBJECT_SAMPLE_FACTORS - P87798T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405080a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405080a_N.mzML SUBJECT_SAMPLE_FACTORS - P88020T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405081a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405081a_N.mzML SUBJECT_SAMPLE_FACTORS - P88020T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405082a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405082a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405083a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405083a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405084a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405084a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405085a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405085a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405086a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405086a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405087a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405087a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405088a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405088a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405089a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405089a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405090a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405090a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405091a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405091a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405092a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405092a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405093a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405093a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405094a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405094a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405095a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405095a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405096a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405096a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405097a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405097a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405098a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405098a_N.mzML SUBJECT_SAMPLE_FACTORS - P89153T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405099a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405099a_N.mzML SUBJECT_SAMPLE_FACTORS - P89153T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405101a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405101a_N.mzML SUBJECT_SAMPLE_FACTORS - P89153T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405102a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405102a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405103a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405103a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405104a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405104a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405105a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405105a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405106a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405106a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405107a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405107a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405108a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405108a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405109a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405109a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405110a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405110a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-5T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405111a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405111a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-5T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405112a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405112a_N.mzML SUBJECT_SAMPLE_FACTORS - M76969T0NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405113a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405113a_N.mzML SUBJECT_SAMPLE_FACTORS - M79416TNHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405114a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405114a_N.mzML SUBJECT_SAMPLE_FACTORS - M79697T2NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405115a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405115a_N.mzML SUBJECT_SAMPLE_FACTORS - M81239T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405116a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405116a_N.mzML SUBJECT_SAMPLE_FACTORS - M82972T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405117a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405117a_N.mzML SUBJECT_SAMPLE_FACTORS - M83109T2HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405118a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405118a_N.mzML SUBJECT_SAMPLE_FACTORS - M83143T2HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405119a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405119a_N.mzML SUBJECT_SAMPLE_FACTORS - M83165T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405120a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405120a_N.mzML SUBJECT_SAMPLE_FACTORS - M83306T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405121a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405121a_N.mzML SUBJECT_SAMPLE_FACTORS - M84253T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405122a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405122a_N.mzML SUBJECT_SAMPLE_FACTORS - M84637T2NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405123a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405123a_N.mzML SUBJECT_SAMPLE_FACTORS - M84660T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405124a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405124a_N.mzML SUBJECT_SAMPLE_FACTORS - M84769T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405125a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405125a_N.mzML SUBJECT_SAMPLE_FACTORS - M87155T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405126a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405126a_N.mzML SUBJECT_SAMPLE_FACTORS - M87611T2NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405127a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405127a_N.mzML SUBJECT_SAMPLE_FACTORS - M87798T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405128a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405128a_N.mzML SUBJECT_SAMPLE_FACTORS - M88020T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405129a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405129a_N.mzML SUBJECT_SAMPLE_FACTORS - M88422T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405130a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405130a_N.mzML SUBJECT_SAMPLE_FACTORS - M88698T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405131a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405131a_N.mzML SUBJECT_SAMPLE_FACTORS - M88890T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405132a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405132a_N.mzML SUBJECT_SAMPLE_FACTORS - M89021T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405133a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405133a_N.mzML SUBJECT_SAMPLE_FACTORS - M89153T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405134a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405134a_N.mzML SUBJECT_SAMPLE_FACTORS - M89346T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405135a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405135a_N.mzML SUBJECT_SAMPLE_FACTORS - MO-4T3NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405136a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405136a_N.mzML SUBJECT_SAMPLE_FACTORS - MO-5T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405137a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405137a_N.mzML SUBJECT_SAMPLE_FACTORS - QC01 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix01_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix01_N.mzML SUBJECT_SAMPLE_FACTORS - QC02 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix02_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix02_N.mzML SUBJECT_SAMPLE_FACTORS - QC03 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix03_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix03_N.mzML SUBJECT_SAMPLE_FACTORS - QC04 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix04_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix04_N.mzML SUBJECT_SAMPLE_FACTORS - QC05 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix05_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix05_N.mzML SUBJECT_SAMPLE_FACTORS - QC06 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix06_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix06_N.mzML SUBJECT_SAMPLE_FACTORS - QC07 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix07_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix07_N.mzML SUBJECT_SAMPLE_FACTORS - QC08 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix08_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix08_N.mzML SUBJECT_SAMPLE_FACTORS - QC09 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix09_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix09_N.mzML #COLLECTION CO:COLLECTION_SUMMARY All samples were fecal, collected via fecal loop at 12:00 pm on sampling days, CO:COLLECTION_SUMMARY placed in individual sterile centrifuge tubes, and stored at −80 ◦C until CO:COLLECTION_SUMMARY further analyses. Sow milk was collected manually and immediately aliquot 1-2 mL CO:COLLECTION_SUMMARY into cryovials and stored at -80°C to maintain metabolite stability. CO:SAMPLE_TYPE Feces, Milk CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY During the trial, sows and their litters were exposed to controlled cyclical TR:TREATMENT_SUMMARY heat conditions until weaning (mean: 21.3 ± 1.1 days of age). Environmental TR:TREATMENT_SUMMARY parameters included nocturnal temperatures of 28.90 ± 2.6 ◦C and 49.29 ± TR:TREATMENT_SUMMARY 12.10% relative humidity (RH), and diurnal temperatures of 30.23 ± 1.31 ◦C TR:TREATMENT_SUMMARY with 48.75 ± 11.28% RH [6]. All sows were provided ad libitum access to water TR:TREATMENT_SUMMARY and a lactation diet based primarily on corn and soybean meal. Metagenomic TR:TREATMENT_SUMMARY samples were collected on days 4, 8, and 14 of lactation, while TR:TREATMENT_SUMMARY metatranscriptomic sampling was performed on days 1 and 18. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Fecal samples were thawed, homogenized, and extracted with methanol:water (7:3, SP:SAMPLEPREP_SUMMARY v/v) containing internal stan- dards. Samples underwent shaking, incubation, SP:SAMPLEPREP_SUMMARY centrifugation, protein freeze-out, and LC-MS analysis. 50 μL of milk sample SP:SAMPLEPREP_SUMMARY and 300 μL of the extraction solution (ACN : Methanol = 1:4, V/V) containing SP:SAMPLEPREP_SUMMARY internal standards were mixed in a 2 mL microcentrifuge tube. The sample was SP:SAMPLEPREP_SUMMARY vortexed for 3 min and then centrifuged at 12000 rpm for 10 min (4 °C). 200 μL SP:SAMPLEPREP_SUMMARY of the supernatant was collected and placed in -20 °C for 30 min followed by SP:SAMPLEPREP_SUMMARY centrifugation at 12000 rpm for 3 min (4 °C). A 180 μL aliquot of the SP:SAMPLEPREP_SUMMARY supernatant was used for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME ExionLC AD CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1 % formic acid CH:SOLVENT_B 100% acetonitrile; 0.1 % formic acid CH:FLOW_GRADIENT Over the time course, component A decreases from 95% at 0.0 minutes to 80% at CH:FLOW_GRADIENT 2.0 minutes, then to 40% at 5.0 minutes and reaches a minimum of 1% at 6.0 and CH:FLOW_GRADIENT 7.5 minutes, before rising back to 95% at 7.6 minutes and remaining at 95% at CH:FLOW_GRADIENT 10.0 minutes. Component B shows the opposite trend, increasing from 5% at 0.0 CH:FLOW_GRADIENT minutes to 20% at 2.0 minutes, then to 60% at 5.0 minutes, peaking at 99% at 6.0 CH:FLOW_GRADIENT and 7.5 minutes, before dropping back to 5% at 7.6 and 10.0 minutes CH:FLOW_RATE 0.40 mL/min CH:COLUMN_TEMPERATURE 40 °C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metware Biotechnology Inc. #MS MS:INSTRUMENT_NAME ABI Sciex 6600 TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The original data file acquired by LC-MS was converted to mzML format by MS:MS_COMMENTS ProteoWizard. Peak extraction, peak alignment and retention time correction were MS:MS_COMMENTS performed by XCMS program. The peaks with missing rate >50% in each group of MS:MS_COMMENTS samples were filtered. The blank values were filled with KNN, and the peak area MS:MS_COMMENTS was corrected by SVR method. The metabolites were annotated by searching MS:MS_COMMENTS MetwareBio’s in-house database, integrated public database, prediction MS:MS_COMMENTS database and metDNA. Finally, substances with a comprehensive identification MS:MS_COMMENTS score above 0.5 and a CV value of QC samples less than 0.3 were extracted, and MS:MS_COMMENTS then positive and negative mode were combined (substances with the highest MS:MS_COMMENTS qualitative grade and the lowest CV value were retained) to obtain the MS:MS_COMMENTS all_sample_data.xlsx file. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples P76969T0NHT P76969T1NHT P76969T2NHT P76969T3NHT P79416T0NHT P79416T1NHT P79416T2NHT P79697T0NHT P79697T1NHT P79697T2NHT P79697T3NHT P81239T1NHT P81239T2NHT P81239T3NHT P82972T0NHT P82972T2NHT P82972T3NHT P83109T0HT P83109T2HT P83143T0HT P83165T0HT P83165T1HT P83165T2HT P83165T3HT P83306T0HT P83306T1HT P83306T2HT P83306T3HT P84253T0NHT P84253T2NHT P84637T0NHT P84637T2NHT P84660T1NHT P84660T2NHT P84660T3NHT P84769T0HT P87155T0HT P87155T1HT P87155T2HT P87155T3HT P87611T0NHT P87798T0HT P87798T2HT P87798T3HT P88020T0HT P88020T3HT P88422T0HT P88422T1HT P88422T2HT P88422T3HT P88698T0HT P88698T1HT P88698T2HT P88698T3HT P88890T0HT P88890T1HT P88890T2HT P88890T3HT P89021T0HT P89021T1HT P89021T2HT P89021T3HT P89153T0NHT P89153T2NHT P89153T3NHT P89346T0NHT P89346T1NHT P89346T2NHT P89346T3NHT PO-4T0NHT PO-4T1NHT PO-4T2NHT PO-4T3NHT PO-5T1HT PO-5T2HT M76969T0NHT M79416TNHT M79697T2NHT M81239T1NHT M82972T1NHT M83109T2HT M83143T2HT M83165T3HT M83306T3HT M84253T1HT M84637T2NHT M84660T1NHT M84769T1HT M87155T3HT M87611T2NHT M87798T1HT M88020T1HT M88422T1HT M88698T1HT M88890T1HT M89021T3HT M89153T1NHT M89346T1NHT MO-4T3NHT MO-5T3HT QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 Factors Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Tryptamine 12244.5 16032.44 22857.82 17153.98 33714.78 20546.81 16739.87 33111.39 20358.69 13804.2 14457.61 17372.22 21568.14 23563.01 25652.23 25364.23 26035.38 12576.6 18000.45 15831.59 15979.41 5432.63 12260.53 23472.03 25765.74 8539.62 13329.74 14503.77 24976.29 2117.75 6413.68 12580.08 16547.78 26037.56 29390.91 11966.99 22661.85 14908.98 31852 34665.46 8474.62 8970.33 36555.21 21149.6 7524.05 24858.37 22222.34 4844.08 13874.7 15512.79 11535.88 20325.7 40840.57 35266.71 24782.28 21139.6 24049.22 40149.31 10707.95 11168.98 32718.38 14269.34 39556.84 58014.73 22881.79 26208.97 15369.69 17000.65 20951.78 28452.9 17827.11 13233.68 33134.28 30724.08 25531.74 19981.93 19869.76 20035.29 20040.37 19547.82 20041.04 19867.5 20035.16 19866.74 L-Phenylalanine 288193.73 252422.32 573640.83 579675.37 444754.4 184593.02 811420.57 445994.1 405780.88 265802.52 386764.95 456464.58 453635.24 379511.47 393882.56 411434.3 283910.89 341309.01 461516.65 330781.84 280384.09 130772.76 329382.69 470148.58 438379.12 237960.45 367620.95 417789.1 293490.86 124578.29 239065.76 326419.19 158109.6 525466.14 523152.21 326945.74 351758.51 308052.26 465536.27 478430.22 66669.66 200601.75 520257.41 314319.38 287983.44 813434.67 302059.88 320715.33 458588.11 316976.36 663221.46 366314.67 520492.78 962330.47 427776.1 267274.1 472241.3 463152.66 212261.81 445431.79 371812.48 319850.24 501719.4 789842.7 341759.01 428618.8 242719.21 284843.77 312320.24 384189.09 339816.87 265376.22 546382.12 630809.91 663977.52 17865.14 15320.42 17917.1 52463.09 23162.3 22518.47 31165.68 11790.8 13443.73 23056.62 19775.53 19136.56 15499.2 11964.83 30018.75 12049.65 34081.92 35871.92 15444.77 25612.86 20486.94 23235.88 26310.76 28545.57 17752.05 403994.05 403204.54 404012.21 403998.02 402185.66 402157.24 402006.01 404016.99 404035.26 Diisobutyl phthalate 1575.46 10177.26 1506.26 1622.3 4017.73 2111.85 1461.79 5657.21 6591.63 12593.68 6310.57 6063.48 891.82 13509.17 7386.19 1596.99 1103.7 15185.17 12567.77 9666.51 3695 721.21 1877.35 3205.74 8405 12576.35 9758.85 8691.29 1471.36 22732.29 8629.6 12896.91 1453.91 14071.27 5285.18 13261.6 10831.08 20912.24 11725.55 12772.16 10431.23 10807.09 11802.96 11269.45 10080.58 6927.1 12704.13 10005.95 5338.76 6020.32 9477.91 9658.28 15637.03 8678.52 8421.58 10801.08 10294.46 11989.59 11899.52 10498.06 13666.89 8754.14 9012.86 14982.35 13741.13 9671.55 11139.13 10742.95 11329.84 9416.48 9628.86 18359.47 8328.06 7495.39 7996.52 9344.08 9769.31 9318.19 9534.59 10960.82 9346.85 9431.33 9349.42 9713.01 7,3',4'-Trihydroxyflavone 1645.78 1157.27 25978.7 6782.9 3897.94 1260.61 4855.34 1988.88 1648.33 6542.94 1927.72 2061.15 28073.12 1802.05 2293.14 5470.06 15407.39 1526.58 14593.91 1410.28 2412.88 2419.04 1181.31 2265.53 2450.85 1646.32 2476.78 1891.47 40646.21 2591.99 924.95 2034.18 4726.89 4736.97 8063.85 3737.85 1204.75 2337.71 1648 3324.17 2677.11 4130.82 3500.78 3392.57 1518.55 96115.46 2095.13 3389.05 110888.42 21615.88 3464.67 1503.85 3723.64 16371.55 5249.31 1387.85 13460.49 2862.83 3468.15 1780.37 2571.39 2016.57 1952.97 2397.76 1782.26 24103.54 2037.13 135504.34 2409.86 1656.18 1757.26 8809.5 2425.1 14691.09 14554.68 10160.98 10048.96 10006.42 10000.96 10046.86 10001.92 10049.48 9940.02 10037.84 L-Lysine 9889.31 8163.75 30265.39 14662.36 9247.78 9407.28 18000.79 24854.92 12606.77 6958.66 15875.86 9957.87 9642.8 10783.49 616.11 11629.37 9800.46 23690.58 10172.8 6932.38 18774.15 8750.39 10307.99 11018.52 10744.08 8639.72 13105.89 8990.09 13212.97 3457.78 9139.51 13687.89 6590.17 16439.69 14618.31 6244.73 12030.24 6175.3 15285.63 20788.74 5708.07 5279.4 7567.64 13086.61 5070 19495.97 8061.8 9288.13 8954.83 6551.52 12275.57 12444.51 12063.66 16628.82 9600.28 8358.82 17487.42 15931.21 7177.52 12768.91 13553.73 10371.63 17637.17 22041.33 11621.2 9478.82 8185.68 9291.64 11054.31 26424.34 20320.8 5373.33 14931.1 14408.52 19085.86 12275.66 14526.36 12904.58 11412.34 12936.23 12366.06 12822.63 11214.54 12342.3 Tyramine 2719.91 11485.74 8173.66 18920.42 12335.89 17980.76 3499.93 2854.19 15967.09 3313.5 2426.37 27030.49 42132.93 6646.12 7216.47 8686.09 2287.51 14067.06 65624.59 2965.32 9854.59 4586.87 8046.36 629.78 9848.74 4856.3 14995.09 6675.2 7127.93 1784.75 1435.44 6148.22 4509.05 7953.67 15098.66 18104.13 8121.82 24405.65 4195.99 7454.67 5645.65 6121.31 36688.18 21449.87 13945.27 3541.45 4400.9 13280.38 4835.51 10807.21 2577.74 24692.36 876.66 3333.68 4241.34 21102.35 1847.02 1222.65 4592.2 4955.07 658.08 631.85 6861.53 3199.81 3620.08 10257.57 16353.26 6175.64 24736.42 8061.63 20159.64 22291.02 2134.15 2145.32 4767.11 11430.53 11583.14 11592.32 11588.5 10897.57 11436.13 11591.28 11632.43 11589.08 L-Leucine 213027.44 192536.11 374945.59 401452.78 397875.19 252981.99 716949.76 413886.66 308948.38 219015.38 315778.09 366171.12 576571.66 289368.33 284574.44 295033.67 196347.67 261678.46 350827.36 296712.91 272853.12 98765.82 288394.09 311394.51 317681.59 152254.58 245009.7 319009.95 226447.77 98020.12 186676.52 275967.6 117837.64 415547.03 353392.16 250793.93 244513.84 162332.6 321742.62 341436.57 73052.41 172635.08 347392.12 238268.35 227521.12 720219.07 251796.17 246963.78 470811.13 269599.67 469173.87 246048.54 376675.15 713663.64 260367.72 182691.59 317859.26 289106.55 151954.5 265100.57 254467.74 259704.94 325406.2 492633.08 274943.97 313301.04 182831.83 228299.78 231798.7 293737.05 232147.99 182895.45 357352.32 446919.49 529926.56 13707.46 14114.14 16483.23 28391.12 17880.48 22227.93 35983.66 13682.99 11847.28 19419.85 32623.06 18697.36 18119.12 13795.58 31832.64 11216.04 30754.93 31624.39 14816.08 16697.94 17937.27 21160.79 17852.31 31502.47 15454.4 315666.07 319062.87 316222.15 315296.55 316136.3 313083.37 314113.7 316085.1 316244.08 Sphingosine 17387.53 42409.53 85622.53 87266.52 142776.15 288220.21 118314.5 28739.24 24076.49 13484.62 11695.57 25277.88 90844.83 17152.48 60815.72 33785.41 42021.59 44389.93 63200.92 34156.81 24674.14 69368.49 15597.6 70215.72 16580.34 12762.46 19554.73 16698.24 60559.51 86521.59 13932.62 85923.77 48129.62 48141.19 55652.34 25786.71 16955.8 30845.54 15819.93 54552.05 176923.57 32185.83 24754.26 18007.77 14748.47 76974.23 22918.6 111559.2 26755.4 48738.18 36268.92 20535.72 21781.03 54342.63 31749.14 48682.12 71152.85 70542.9 36950.61 107415.46 24559.88 34529.2 23378.03 54616.89 61329.7 42411.27 33625.64 30850.43 23424.65 39047.47 29348.4 14558.22 15461.45 128936 94207.37 4756.1 4307.97 3548.27 4068.0 4720.09 4074.44 4121.58 4702.15 3924.0 5697.73 3760.27 5125.4 3592.4 4078.02 3236.3 3094.77 4140.31 4854.75 4302.32 4527.07 11790.25 3670.32 4289.55 4523.38 5531.27 52100.27 51271.63 50973.39 50988.56 51161.55 51003.92 50966.9 51274.12 50602.48 L-Tryptophan 33380.11 36185.16 58215.49 78490.03 28502.47 57682.68 181541.69 27838.34 40886.12 35583.13 29329.9 104138.44 46018.79 38159.06 53199 50525.96 34730.75 53946.65 70382.04 48209.65 27181.6 25167.82 58439.25 47385.23 49858.64 34720.51 11450.86 58288.41 48193.28 28944.45 46439.97 70739.49 23505.62 79429.25 45214.06 61295.07 32990.43 21217.43 40969.4 41525.57 17434.7 45442.37 32191.74 19686.69 56687.97 186339.63 37622.95 61095.29 66595.18 54966.65 125537.75 42937.93 34541.43 157057.61 41931.21 27038.35 57337.29 26980.85 34909.1 113891.33 30297.22 35556.75 20899.48 47839.5 35843.37 52437.29 39554.24 29120.14 22242.42 34492.41 42337.62 31813.2 24229.85 79439.69 69103.66 20868.96 9702.71 23344.17 64523.76 45649.4 38607.37 24183.27 6831.72 14461.7 26384.48 13084.47 18239.7 19908.46 14011.09 25208.22 12811.95 44355.16 60392.15 24415.13 18222.41 19119.75 25228.36 45629.12 23393.43 32228.29 52473.7 52624.01 52433.72 52626.6 52600.84 52110.98 52624.05 52491.16 52434.28 (R)-Equol 3470.02 9371.54 17465.64 8042.6 4749.64 14319.02 10111.5 625.38 4533.95 7363.69 11046.58 11466.9 8118.27 4699.63 6002.54 13788.03 35912.67 1349.54 13611.14 2637.53 3128.74 11968.06 9314.86 12583.55 2572.89 789.9 16353.12 7218.38 4836.96 2365.6 1213.9 8286.82 8826.8 13330.01 13733.68 2753.11 2647.7 11542.87 7092.46 8887.23 1636.96 1607.53 22933.17 14757.46 2917.32 6388.18 1277.43 15500.33 4929.42 4364.37 548.44 8060.57 11118.25 8251.04 4456.45 21267.6 39828.42 22657.11 2467.71 12142.24 15816.29 22745.29 7344.18 21302.79 9698.97 4610.56 12539.71 14395.72 15021.69 2933.94 6165.18 6037.74 8640.08 17434.82 12070.28 10045.39 9495.36 9467.68 9271.42 9278.36 9458.2 9364.11 8693.85 9215.51 Methylparaben 885.27 143.53 425.9 89.33 17840.18 191.57 755.67 2555.48 1541.71 960.93 782.72 118.67 512.7 70.93 66.44 112.01 515.9 73.41 82.72 94.49 5519.6 153.98 71.75 125.23 2328.47 225.68 1203.76 85 1372.58 407.39 1559.47 84.54 98.34 175.8 138.99 80.37 453.38 237.01 291.14 107.33 1625.52 139.4 75.99 68.88 122.37 235.84 75.02 92.46 97.56 87.1 1100.81 234.75 83.43 74.44 173.7 106.45 177.96 76.31 11667.26 3925.36 524.56 2711.72 150.95 127.36 85.59 85.53 186.67 633.92 404.41 1005.27 73.46 133.45 89.62 108.31 130.37 1436.6 1399.34 1409.83 1407.41 1398.95 1409.05 1394.84 1409.08 1401.54 Uracil 11200.88 12854 20394.03 16979.91 10031.38 10455.29 17243.12 13502.72 13576.66 10427.62 14608.8 12637.62 18826.23 14243.01 17934.6 13782.79 14808.13 17183.11 9304.86 11885.91 9229.69 6247.2 13802.22 11093.92 9479.91 12428.01 9807.42 9231.24 11043.54 1974.72 12343.9 6149.23 12467.4 17422.01 11748.82 9684.54 13082 12082.69 13390.55 19913.65 5693.53 6203.74 16057.89 16292.48 11143.12 15674.8 14217 13159.59 5825.73 10179.73 10209 14360 10814.57 15307.86 10907.38 16376.49 21063.62 17500.85 9600.25 14059.96 14785.52 17556.27 14895.56 18507.17 12293.4 15066.26 9456.22 12847.96 13263.97 12775.86 15590.45 12569.73 19425.76 23000.22 20986.77 51500.43 41515.42 42945.81 46515.71 55238.18 43657.14 75127.11 32624.89 30544.92 46800.59 48308.99 23552.95 44096.48 32192.66 39115.68 30960.5 46995.71 47584.39 47683.9 30059.11 26131.0 28772.33 36083.88 57833.45 62220.37 14618.57 15104.75 14618.93 14606.64 14401.3 14515.82 14510.1 14532.96 14561.46 Methionine 31339.4 29144.05 57472.69 40295.77 36773.25 14297.67 63866 53165.43 52614.67 34845.25 34374.02 32542.37 34704.83 42208.72 44835.91 40055.97 29433.11 43920.38 43372.08 45830.4 28212.55 12041.82 76514.47 43066.72 51055.9 27409.76 36744.11 39427.18 30849.66 4082.7 33164.25 27451.83 26323.41 46294.41 43582.09 41711.7 46951.89 20589.92 46890.35 52253.05 4436.15 16359.73 58274.53 36370.2 32454.49 52293.41 40350.37 33664.06 41966.46 27987.4 48344.59 42111.87 45708.61 63933.71 33843.49 44162.48 59561.3 51260.85 23831.71 19099.74 47947.73 34473.22 57679.12 68266.79 51216.13 51699.03 24617.24 35185.27 36068.46 51826 51490.15 36358.92 57143 73941.94 62058.12 2934.02 915.51 3414.09 2859.27 3675.27 3075.52 2635.2 3876.39 2763.11 3171.35 2887.93 2876.5 2668.98 3272.11 2849.24 1844.85 2610.29 2367.48 4723.37 4518.08 1730.76 3193.12 4116.96 2545.02 2804.73 45532.2 45518.39 44771.29 44785.81 44763.67 44769.56 45191.96 44789.72 47438.92 Azelaic acid 94242.78 74387.31 11865.03 38192.65 49073.26 57447.16 61141.41 76771.16 69201.33 57026.61 49270.79 63210.28 65165.32 87982.09 62662.88 55320.16 31520.07 74249.46 78077.88 40987.45 55247.08 18338.46 37767.97 50158.84 67233.99 73966.38 51793.39 71944.5 100092.25 16303.78 94685.14 125525.62 29606 48328.76 43064.33 103414.17 59983.69 42931.75 46813.2 43692.59 72054.22 148891.31 51329.81 50255.66 91908.11 79148.71 87354.49 60088.26 68713.67 121278.09 84843.32 74152.32 50294.15 73133.68 55936.85 65162.79 14746.97 16540.38 49848.5 18360.48 34213.36 31695.91 53073.47 27702.09 24540.39 82313.9 39191.72 48230.58 51973.25 54549.45 54546.42 59347.4 43699.92 34206.2 45535.37 6990.68 6145.56 8806.93 10389.68 10789.77 9336.48 11539.29 8377.17 9326.61 7656.81 10091.05 7800.13 9392.92 7575.18 10309.66 19786.85 11486.55 14839.67 10947.66 8461.49 9385.34 17584.04 15017.05 15933.87 12604.8 60102.72 60109.87 59900.72 59872.01 59867.42 59868.36 60104.53 59871.25 59989.5 Sodium ferulate 39815.76 78798.26 47562.14 18302.95 21400.24 4647.89 16286.84 24511.84 70384.77 45691.29 55737.06 16721.91 9188.09 33504.86 42247.34 65233.04 103902.63 30737.5 23426.83 14849.91 25654.7 12690.37 21619.37 38686.6 40351.64 85370.94 67900.76 19922.92 19795.95 998.28 14303.61 22689.02 16391.16 21480.59 33144.47 30101.15 67204.66 45374.62 26232.26 94606.65 23618.88 26198.82 39636.28 31445.34 31957.14 18780.68 23693.79 9078.09 16098.37 37999.55 38222.35 61096.12 34342.98 49292.32 49430.57 64548.9 66003.07 42091.92 28878.84 23675.85 27169.1 18821.69 68771.12 89358.83 41138.08 59121.97 45958.76 46926.05 43065.11 47707.36 65434.18 69294.12 47200.3 60988.05 58919.28 38871.86 38900.8 38693.15 38694.18 38692.67 38718.75 38695.06 38796.83 38835.62 N-Acetyl-L-phenylalanine 5220.2 1634.73 7066.11 5450.94 4004.12 12972.52 6991.39 4969.15 4689.26 5084.64 5973.97 5061.5 17475.82 4754.35 4588.26 5258.66 5051.78 3842.34 4576.37 5683.46 3817.61 1678.48 4495.01 5820.2 3900.02 4866.14 6243.5 6652.01 4879.71 4552.01 4952.79 8734.21 2610.8 5561.53 4937.84 3490.89 3989.46 4053.38 5354.28 5679.27 4952 5151.99 6013.3 4765.02 3261.35 11755.13 3939.07 5840.2 2991.8 8593.44 4866.44 2031.76 5575.08 13016.92 3855.6 916.45 7714.61 4286.91 4759.78 12029.4 4548.03 5632.67 18749.06 4153.04 4657.74 4318.76 4308.13 2555.54 4825.26 3415.21 4376.71 5475.96 4223.51 8841.57 4652.74 3859.78 4052.03 3894.33 3817.53 3733.05 2358.8 4206.76 4075.52 4063.14 Biotin 17175.88 13919 7595.91 11208.5 17682.45 21205.08 17137.83 22201.06 21463.92 15291.93 15330.99 23301.35 19123.87 17513.71 16338.54 20700.93 14246.33 16318.95 36705.54 33756.13 19280.41 12703.12 14152.98 13613.12 20173.93 19547.71 19663.79 19884.89 32376.51 9717.83 30726.62 30888.25 12623.94 12925.83 11032.04 26143.62 18413.08 12934.52 12939.13 8911.05 27137.15 41574.77 17970.81 11364.07 26258.24 17641.26 27038.49 25457.75 21802.84 31284.97 14571.79 16155.76 15040.73 16105.52 11521.43 12380.66 3162.45 7716.9 18228.45 9658.75 11938.07 12026.55 11905.46 12610.75 10889 18113.48 17289.36 16335.22 15927.29 17083.12 20723.84 18970.74 13103.17 14770.87 15248.28 914.55 1418.8 1920.88 2091.14 1714.81 1218.29 1161.68 1785.35 2394.53 2123.87 1651.67 1526.14 2033.03 1881.23 1694.98 2013.7 1848.5 1950.79 2124.95 1636.12 1363.27 1751.39 2111.36 1930.37 2217.32 18333.67 18250.52 18418.42 17947.27 18176.06 18473.18 18372.08 18380.16 18182.37 Bis-ferulamidobutane 7716.93 8502.86 26630.77 8541.89 24191.13 20951.87 44932.29 13237.59 15843.21 156903.12 33556.51 4142.68 9128.13 7238.89 28511.92 168040.72 790573.61 10521.92 10925.23 13231.27 21414.77 17431.43 2940.1 4539.99 9563.83 12492.56 9980.28 12530.68 13122.77 4589.29 20614.09 6312.16 255679.62 33162.77 13752.01 10209.06 11298.02 46204.47 7444.75 7935.25 37926.91 38179.96 10211.66 13875.89 15469.53 55439.27 144952.99 5600.32 18574.1 11665.69 55289.5 32096.38 19177.68 17343.59 13848.22 58258.5 860783.39 5440 209995.93 7584.41 11945.63 4073.79 16397.68 5352.19 6858.48 27395.73 19491.65 22017.18 13157.46 8581.74 10535.21 27583.71 9648.67 12170.34 6543.93 78105.89 76941.78 76624.96 76619.4 77065.36 75747.85 76717.85 76683.38 76616.11 LPE(16:0/0:0) 294273.05 403759.02 415783.33 252144.97 72394.21 608004.1 81440.23 189978 222384.32 121019.94 370341.35 195368.65 217169.06 175994.14 476963.03 46596.61 173635.74 277586.15 62004.79 213138.09 141334.26 76732.62 87990.75 133092.47 178992.64 131682.63 124553.79 129249.36 92778.47 111808.01 89158.75 43138.51 154361.05 333387.04 379862.32 141270.96 254328.56 141038.1 98185.56 285097.54 176651.92 183363.4 251219.62 308973.1 100521.8 108886.73 183048.21 167071.74 68576.08 138508.94 169187.14 204627.34 206923.56 139978.68 254677.26 278646.25 350960.05 363843.57 158491.74 113383.89 346674.75 85921.87 489044.08 169729.46 186554.97 224121.92 248311.19 110390.68 171579.82 185784.12 109653.48 52741.44 174752.12 294714.36 155305.63 240556.51 98360.61 250317.77 175789.35 191265.06 95951.45 49894.18 223030.62 134667.75 19913.83 6394.9 48986.25 45938.59 177660.71 24693.87 50804.17 58400.17 258738.95 76039.02 45614.1 93024.42 37420.58 71866.61 100941.8 334476.64 189578.96 191254.06 191947.97 191965.99 186131.62 189635.82 191430.42 196295.76 189508.5 N,N-Bis(2-hydroxyethyl)dodecanamide 181217.9 206035.26 184002.09 199291.95 134606.63 142998.1 135264.01 195462.06 181666.3 212770.94 130127.31 124981.53 117753.39 186480.69 165033.46 179388.98 165807.85 173896.54 194242.21 170526.14 159020.7 141689.31 147853.68 190271.55 199813.12 240866.18 189305.53 177393.41 185667.96 243777.74 167017.92 191923.74 193764.47 193591.64 209790.71 197160.34 234958.57 225132.88 186385.65 224806.38 179859.73 179828.84 182977.95 235350.41 181080.38 145693.59 198186.76 189320.17 123946.2 164491.34 163211.22 201408.48 176951.17 156872.9 166263.35 205513.77 208077.01 180682.08 190493.06 204286.74 207766.58 161617.62 183294.89 205737.88 156811.63 154987.1 167853.65 176521.9 176991.09 195130.59 195846.42 223133.7 139376.3 202163.74 186776.32 2483.99 3096.15 3402.48 2978.44 4098.55 2747.7 3115.17 2752.95 2814.61 2937.38 4313.74 3173.99 3116.61 3607.5 2017.9 4464.23 4120.0 2689.41 2527.66 2947.47 2708.49 3928.47 2927.71 3216.51 2517.07 180621.28 181498.04 182411.24 182387.6 182386.69 177738.02 181851.03 181429.12 182400.11 7-Methylguanine 7255.31 10133.62 18685.16 13080.8 15837.49 10683.85 28190.03 6056.64 9250.06 6157.05 8682.91 6061.8 10316.32 7852.67 13170.19 12522.45 9959.38 10386.15 8168.91 6002.26 7717.67 3084.16 6582.39 8773.8 7887.88 8322.54 6680.76 5450.61 13150.82 4036.54 5350.74 5437.65 6657.01 10216.7 11023.04 4092.98 8238.61 8703.52 8245.59 11038.99 5740.82 3300.95 10483.15 14613.3 6986.95 27227.98 7675.33 8996.86 14854.1 10180.03 8707.63 9579.12 7999.72 13995.71 9623 14278.22 22287 16623.34 7760.91 10157.7 10925.08 11934.07 15442.87 17374.77 10337.94 10599.01 9650.61 13757.79 8624.91 8341.42 10971.19 7188.77 12708.47 17864.17 21496.45 11198 11348.29 11281.33 11199.62 11362.41 11348.27 11220.13 11349.52 11348.03 MG(16:0/0:0/0:0) 25370.48 49366.69 23658.21 20375.84 20887.52 72669.12 22269 28162.72 39198.17 42628.4 30012.21 14326.33 10360.23 25816.58 34577.06 22856.75 51285.35 22483.47 22306.56 16748.8 38622.41 8887.68 10802.26 21576.48 24335.37 57203.56 41566.24 29938.29 24831.71 85090.15 37692.57 27319.13 43720.73 38991.6 34903.66 30496.46 54616.84 58860.71 43741.5 69705.09 71351.37 11292.94 23822.99 23147.75 18988.84 13388.75 20009.32 25911.65 28503.98 45436.5 13223.87 41186.35 23783.07 17913.66 14291.88 31479.2 24226.23 41454.37 49811.6 57366.05 35557.18 48190.56 37001.27 36057.22 58207.41 24043.79 71953.27 28096.34 29149.06 37993.06 74016.39 26084.21 44226.2 31705.76 46888.75 39684.74 40452.67 40426.6 40410.01 40247.57 40284.88 41250.94 38720.76 39564.72 2'-Deoxyadenosine 12269.66 14944.12 39982.11 8038.13 5474.36 1230.21 11142.01 17652.24 11680.97 7452.3 2683.65 3094.81 9778.57 11530.17 19303.4 15073.37 4121.52 20245.09 13173.93 23475.53 10345.44 109791.24 9769.75 10602.89 14950.08 7970.66 3140.03 585.81 13870.63 8289.59 9882.79 1273.28 6800.89 7208.17 3312.97 12506.34 17575.81 4922.16 3997.5 6143.98 4386.85 8978.58 13006.34 10947.35 14787.57 2792.82 15760.89 21064.98 972.96 10415.17 1000.67 19971.53 3606.6 4721.64 10513.89 22411.02 17598.91 14721.49 2944.14 6679.18 15000.47 7387.95 11885.41 9018.77 9646.69 3950.19 4139.22 7098.41 8864.55 18621.17 16651.18 11953.4 16714.03 17322.04 14497.61 14220.83 14081.53 14092.36 14207.81 13914.64 14076.54 14074.97 14221.48 14123.66 2-Mercaptobenzothiazole 12109.43 13590.1 12860.34 11624.69 6591.95 5821.6 9248.53 24566.08 12348.66 12532.55 24234.63 11587.67 9024.31 13800.38 11053.2 9971.15 10629.45 12100.73 11036.97 10687.8 15696.38 10126.88 11842.66 12873.05 12142.26 12034.78 14606.77 12169.14 11059.78 12867.01 11743.39 9908.96 9487.68 12428.76 13061.84 11690.05 11577.78 11776.82 13327.03 13737.07 8605.58 9960.49 13482.13 13080.59 10820.96 10708.93 11154.89 11877.64 11490.77 10918.09 11248.11 13542.8 11661.76 12073.89 17018.14 11349.1 12124.04 13049.16 9612.8 13163.78 13396.42 13814.3 12238.83 14292.37 13189.8 10520.29 11541.88 11707.59 12442.62 12204.3 12400.59 12833.76 12731.73 13910.88 11617.13 11981.95 25943.75 12361.44 12977.97 13089.63 12549.32 12352.02 12527.52 12648.53 11965.19 13332.11 12569.89 11993.43 12545.34 12694.41 10714.09 12246.65 12257.36 12482.67 12195.2 11893.4 11837.34 12261.93 12070.94 12248.78 10977.85 10679.34 10987.56 10763.9 10762.34 10887 10890.45 10764.75 10742.84 Palmitic amide 76119.78 88171.91 78144.51 75034.02 99950.74 125657.14 53733.66 73543.55 108904.37 101126.02 124062.28 126469.36 141437.61 166654.38 170111.97 155329.59 178941.35 256179.11 233091.13 498789.82 206928.76 158378.85 169039.09 60087.21 69845.49 140429.81 78267.54 77800.94 107888.72 147184.02 134094.08 158309.58 188296.13 125861.99 115111.35 143291.94 123251.65 122674.87 98273.71 149362.06 140628.85 136721.02 122084.16 172015.5 108283.99 91698.34 123619.68 150554.36 219787.31 195773.34 133991.55 118885.26 174626.21 125050.35 122736.16 125510.29 111623.96 129355.03 87828.29 124938.1 122289.89 77319.9 112521.5 135043.94 90796.76 129140.89 129292.63 117023.64 105533.13 93516.27 94452.08 98367.25 106654.29 188556.48 107806.49 5424.91 1918.82 3887.51 4176.63 3673.83 6567.78 3751.87 3213.97 2563.02 3049.88 1212.66 1979.62 2199.65 1747.67 1418.92 4684.05 5408.06 3014.01 2618.28 2174.97 5545.27 2722.59 3405.01 3884.21 4643.62 112544.45 114322.11 112589.01 114868.79 114742.28 114879.5 114740.65 112774.67 112592.56 Monosodium glutamate 63887.31 53730.47 92524.12 83702.23 55953.79 39306.47 58994 47660.16 49039.88 26394.79 49978.21 40553.31 33457.25 49756.38 42120.3 59792.41 78037.19 54904.55 24573.14 59168.19 111468.39 15178.94 42852.24 64224.13 46833.19 32497.83 34609.15 43741.17 26429.29 31274.24 99444.41 22454.19 23957.51 41630.67 60557.68 31566.48 65752.65 32643.94 50464.7 53913 32057.42 27477.53 41628.35 54742.9 34221.12 45502 45782.53 31881.23 32165.96 32152.63 48051.62 45706.79 45673.62 44034.63 41623.64 48627.43 93878.68 56288.4 40937.87 49553.23 76579.7 48537.07 71158.75 78381.13 86886.6 40106.99 72584.87 40833.65 57715 75423.75 44942.03 31336.21 60124.51 57127.76 70568.97 45794.87 45175.31 45175.16 45358.06 45189.58 45120.26 45587.79 45327.61 46616.46 Urocanic acid 105679.06 32262.67 54194.94 84800.71 99424.56 53501.09 237330.37 127913.09 96286.24 46225.41 64907.32 157682.04 161184.43 60972.62 80840.5 123283.71 56174.83 91483.33 20332.25 40698.96 79084.32 21678.77 55560.6 70568.25 68464.97 35934.82 47754.27 55171.09 40757.29 36222.36 51834.95 47978.9 22228.6 69717.3 71690.01 55342.02 71958.95 58564.19 43136.16 65947.46 56276.91 44769.04 68885.21 35723.85 44842.86 302021.84 63131.1 48030.25 69698.68 79590.56 181215.66 69557.09 69820.28 106797.16 72350.18 54912.12 67068.1 58636.12 44930.69 87884.63 54109.72 60070.12 100106.73 90679.14 72394.62 69417.86 46880.28 71115.49 61199.9 70215.8 55963.64 42791.08 94105.13 90386.24 251134.8 76975.78 74695.44 76613.59 77107.91 76632.92 77912.31 77896.95 76950.16 77904.86 1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one 1215.15 9204.98 26076.76 11594.33 1341.89 16871.22 10717.51 5102.46 1122.25 7691.91 7863.88 11631.85 9367.04 4436.19 6006.74 13876.87 20128.86 2325.63 13825.72 4311.34 2097 5549.71 21291.08 11007.11 1525.07 14346.65 14935.71 6676.28 5163.07 1744.61 538.86 8446.14 16147 21640.34 17148.76 1897.26 2928.31 28895.87 6703.2 7342.48 1589.13 5136.01 16327.51 9875.95 2037.94 6453.58 832.65 13823.38 6255.81 4589.71 913.36 7414.06 7811.62 9073.96 4699.51 15573.02 23608.82 13252.84 1703.68 18568.81 8560.74 23816.58 2972.7 12200.28 5672.92 4878.23 10536.41 6918.27 6857.53 2371.85 2391.34 6935.04 9786.18 14087.02 8329.14 8870.3 8944.25 8866.88 8787.02 8590.32 8771.44 8776.67 8753.8 8751.41 Hyodeoxycholic acid 475058.46 934492.56 3937848.39 1285183.15 1625321.26 590644.55 1111224.27 1718573.37 1349557.65 936934.67 1032007.43 1108843.73 1087247.55 868682.24 1830036.1 1973568.25 2144552.43 872497.11 2406441.18 1072607.81 2001341.14 813518.46 2250110.94 1593926.11 1710292.8 538687.58 1056080.82 665063.57 2408190.97 1102968.52 345823.99 1226696.72 3310603.97 1700582.45 1568466.29 1716738.16 1202405.69 305759.55 1130681.05 841237.59 472043.42 874308.11 1823679.26 442262 789804.85 994845.38 1677507.83 2028275.38 3523095.79 1336271.26 979449.31 2607946.89 1940896.35 1635628.34 2236858.84 1191532.06 2043580.35 1201187.24 1626981.01 149132.54 1546465.37 1025656.05 2087101.17 3854851.59 1797854.91 1239536.34 389261.21 934644.73 444618.63 1680828.51 729006.04 860060.86 1496464.01 1669503.43 1266822.4 6362.92 4047.97 6820.38 10989.71 8452.19 4653.06 7371.71 4489.57 4571.71 7918.63 7889.06 3469.89 8463.29 4323.69 4552.47 4485.76 4248.78 12610.49 7952.63 5024.56 5417.78 6131.36 5425.9 5533.39 7540.81 1536681.86 1513090.75 1524867.07 1525036.66 1477208.14 1516672.51 1512752.56 1525036.38 1512983.13 Glycyl-L-leucine 10211.27 11927.41 26431.7 26265.84 34767.96 17832.58 27887.81 41913.31 47630.82 27343.53 873.95 11678.77 2982.65 7830.11 26745.55 20322.38 13225.5 24145.41 8953.21 25302.89 10026.96 3876.43 7606.41 11552.65 41428.61 35457.57 25574.56 12773.46 26840.45 1893.38 2366.99 9464.04 19502.29 16329.57 16393.33 19363.82 26120.6 5384.86 4452.11 30435.31 1264.84 11729.72 40078.12 2574.31 15915.53 27316.1 20866.26 9023.2 20729.44 11792.43 39132.07 12003.68 17539.53 45283.19 25011.6 4934.01 17432.55 28714.47 16329.65 23857 11568.9 5298.17 32297.24 39522.31 25386.51 26428.03 13898.16 9696.19 11709.13 28007.11 39629.25 8581.86 16668.41 48520.69 16934.68 21944.01 22352.13 21697.06 21905.9 21653.45 21989.89 21690.28 21692.09 21972.53 Riboflavin 45585.22 93950.45 104231.99 130550.03 75252.08 51639.7 123514.91 49542.12 64536.97 45779.75 66232.76 78267.58 89433.85 73323.18 108330.83 127039.62 78908.92 67961.43 85900.86 55106.5 49988.79 17348.93 62359.29 116467.95 61390.36 48542.05 1130.94 47817.39 66533.91 47149.16 53417.13 58974.56 27585.66 84099.03 91786.91 49061.32 72619.56 34312.53 89827.19 102100.76 59123.8 48042.36 94497.66 82059.91 61689.09 77410.45 82931.83 63817.03 33662.93 85293.72 42223.33 74604.96 70458.9 112920.14 67830.69 119826.18 133634.47 96358.88 47915.39 55280.5 107963.36 95695.24 97497.49 123350.48 82422.47 90234.18 113002.54 79292.29 99427.35 70808.74 71749.14 58853.51 76294.64 138079.43 178912.02 11090.58 9465.16 8664.94 9507.35 6763.87 8843.85 19703.78 10461.86 12888.79 8149.63 11224.94 8909.71 9613.96 11360.37 11894.37 11677.54 10441.28 10982.16 14935.91 19321.42 10519.9 7761.76 9308.4 8840.45 16244.99 80806.58 79192.89 79319.61 79175.61 78164.07 79186.23 79202.75 82364.54 79196.58 Monoisobutyl phthalate 7969.36 8087.37 8141.29 9747.49 4937.14 6157.77 7243.38 9399.48 7503.79 8927.86 6054.34 9780.2 6817.19 9057.58 7689.36 7683.6 8275 7543.45 8188.19 7969.6 8480.75 6432.73 10212.47 7792.7 8768.91 9603.05 8174.96 8582.74 10144.22 9330.95 7845.7 8508.3 9442.8 8293.14 8239.98 9688.06 9406.98 9885.92 8218.12 9699 14422.45 7395.63 7775.55 10140.25 7923.74 7567.12 8859.48 7466.07 7177.41 7826.34 7604.24 8842.21 7675.46 7909.9 7709.58 8112.81 8137.84 7525.74 7782.3 9864.63 7799.7 8309.56 10019.9 8485.23 6955.01 7462.21 9122.23 8318.44 8603.26 8803.63 8420.46 8989.6 8517.85 10770.8 9395.46 890.43 569.63 3305.81 885.83 523.02 550.12 560.18 709.7 577.95 1134.04 1106.35 855.75 913.3 1077.11 1256.46 10531.64 9840.25 9823.86 9778.6 9612.04 9783.87 10304.95 10226.65 9785.2 2'-Deoxyuridine 14212.73 11391.91 7730.38 18535.03 23313.55 619.28 22167.54 25566.16 1942.3 11488.35 5105.62 1310.59 3505.9 7376.53 21205.91 9129.9 4153.3 21840.3 2196.71 25425.58 16538.1 2978.27 7148.89 7721.74 15507.73 1416.15 9273.03 7024.16 36591.18 5405.81 17132.06 9974.02 7524.79 25521.4 5840.24 10703.59 15378.15 6366.87 14042.04 16225.68 6445.77 11447.94 1939.16 5500.71 7237.82 28503.86 18365.87 12732.29 2101.04 2873 21167.16 15963.3 13037.42 26494.94 14356.74 7291.54 14761.05 8138.71 13001.1 12322.38 4679.27 17777.54 11290.93 14699.82 3424.59 22785.42 1815.78 5060.34 8997.46 18732.53 16784.2 4480.13 6608.89 18224.25 25232.93 14224.32 14428.78 13868.99 14321.92 14226.22 14227.35 14336.29 14222.21 14564.81 δ-Valerolactam 1716.87 17293.3 5104.22 7795.14 21120.01 15400.09 9007.03 3784.6 5529.68 1170.22 1863.38 4740.93 25730.77 21187.18 17201.82 6394.35 3176.48 4589.84 42933.94 5244.89 2900.71 2094.41 1346.27 8398.92 2304.69 1929.52 12473.85 2351.12 5449.56 7648 1165.31 10500.28 10281.92 4423.4 3408.88 3917.3 1001.19 1692.54 1125.5 1540.47 36134.7 4892.66 2112.07 1298.19 1152.56 9249.44 18598.15 232869.58 15920.5 28495.78 3561.53 3980.66 2447.78 9668.96 5596.5 7478.54 1961.06 1026.83 2715.17 3274.66 4557.56 2092.8 1366.46 3809.1 1535.59 2365.93 9912.38 2204.41 1513.08 1162.69 5620.42 1040.15 1268.04 7506.56 8279.01 11879.57 11906.37 11910.44 11887.34 11879.32 11881.59 11809.02 11879.32 11879.56 Oxindole 76046.34 107737.9 25953.28 34048.23 141742.65 64132.13 124054.57 128645.52 37258.74 240914.22 124354.44 446147.6 130519.86 174125.92 174866.86 135657.11 73363.87 159715.76 480034.22 91317.01 26447.81 90557.99 112984.6 168009.81 142454.88 62510.37 290743.84 142911.18 202095.17 3944.23 79474.97 224771.64 144579.03 73843.25 82770.56 211332.15 67135.34 63996.14 99465.7 84841.74 28940.78 64076.09 145025.83 80517.59 123355.25 29170.29 174734.53 188099.14 151338.82 139115.12 90115.88 151716.42 81546.62 68408.32 72000.37 89935.09 33142.95 20033.37 87620.01 10363.44 150176.52 152737.45 49356.48 18142.38 31555.49 177529.52 70572.87 202055.69 102686.26 68440.93 59425.33 209635.79 35266.26 53518.46 67165.86 115435.59 115120.44 115020.77 115245.67 115431.26 115430.94 114997.04 114481.5 115432.12 2,8-Quinolinediol 50140 597401.48 748079.88 1189365.25 234701.64 648072.21 268232.19 39875.15 35227.18 576641.01 72040.82 71661.86 549795.09 145433.54 83190.2 71924.26 223334.03 31016.72 104615.04 25261.02 29716.07 585.35 360260.66 197876.67 63914.99 109224.93 252038.49 69980.56 128726.31 3201.36 27942.14 50314.62 38872.01 1656153.43 461930.97 54450.8 47708.31 210585.57 128432 100830.51 37919.52 51918.54 165897.49 143849.52 62339.62 223522.03 39286.43 49234 186826.92 85390.63 49549.04 1569965.04 212730.69 259857.51 111691.63 355442.12 754829.53 784940.08 40690.34 12194.56 316744.95 1608056.3 103916.94 146368.84 28859.06 143276.97 116508.16 246490.03 86817.45 43432.05 47365.55 950472.12 25768.99 448093.5 159963.64 11520.54 6560.51 14176.41 35000.8 12161.97 3235.69 3988.21 4938.6 6368.66 7660.03 3955.97 4623.82 8042.81 5823.2 4090.71 8108.09 8284.04 8213.98 7514.77 12691.37 7135.34 15452.02 9078.17 11043.26 28282.68 317568.66 313971.71 313123.25 311779.65 311777.3 312455.36 311760.75 312366.76 311159.4 Thiamine 5774 10513.11 7418.89 9177.86 27397.16 20480.25 10767.36 5512.82 10057.31 7555.47 3460.92 9110.14 22296.58 9624.46 10753.98 18718.53 1497.67 10742.43 26248.01 6431.18 5908.56 11438.51 8196.72 9054.33 9880.39 4292.22 7878.98 5207.94 25467.43 515.19 7070.96 8034.34 8496.89 15415.99 9720.31 11118.61 5936.78 7456.61 7431.43 7835.33 4083.38 8944.23 18635.85 11502.46 10822.31 13143.45 13325.9 16457.27 8013.69 34316.57 6309.33 16165.44 13801.06 19136.26 4066.84 13786.4 6774.33 6234.64 8174.77 8823.07 7841.8 13531.86 8761.97 12159.29 8340.13 16449.54 9976.74 11479.76 8846 10585.69 10278.16 5343.54 9105.57 16079.36 14728.9 13271.06 13545.71 13576.87 12703.97 13177.18 13519.97 13393.53 13884.46 13561.95 Guanosine 1261.78 3173.47 10989.99 5558.75 4059.77 22034.59 1106.08 1599.85 9047.86 1475.71 2839.97 3925 1629.02 995.29 4007.49 4009.35 2682.59 5676.94 4884.8 5612.68 3130.38 4407.91 1768.59 2393.62 1770.08 19869.5 2416.47 4202.13 6859.46 543.15 2818.37 559.61 8130.1 15156.39 8652.77 1047.19 2911.15 26340.9 4064.85 9127.16 1031.72 3734.82 6378.61 1551.22 504.19 12334.31 3986.61 1385.67 4760.22 1574.52 5463.01 2173.82 12483.81 34417.39 4420.11 3551.06 8993.82 7961.52 2564.9 4783.45 5781.04 486.01 2773.47 21450.88 2267.53 1888.76 327.85 1125.43 1014.29 3177.9 6147.2 1869.57 5626.52 14433 2563.84 8267.03 3980.26 4035.08 9059.73 5469.18 5254.72 11556.74 11644.09 4828.81 4569.13 6164.86 2441.04 8613.75 9662.96 9711.36 7291.09 4380.09 5739.49 13540.82 10135.89 5146.72 5643.61 10916.86 7176.55 15079.46 6467.43 5995.22 6044.66 5960.52 6103.82 5945.25 5944.92 5966.77 6095.98 Bis(2-ethylhexyl) phthalate 9927.57 10393.66 9170.75 10064.6 10208.59 15106.94 869.3 4207.25 28934.99 11078.72 5427.31 9364.63 8809.6 9411.56 10749.57 10572.53 7725.94 13165.63 11285.56 14368.03 9806.96 10350.73 9454.43 8631.35 8436.03 10731.44 9805.96 10210.27 13419.28 10810.82 13537.95 11974.04 10461.57 10900.09 9311.92 11977.29 11513.95 14931.73 12963.36 12271.66 13306.93 16029.01 10362.6 12100.76 11172.91 3187.99 16695.41 10570.23 8950.54 13188.57 11525.46 11633.93 11569.84 7818.05 11823.38 10786.53 9735.5 12273.33 9311.04 13609.99 13215.08 9637.82 11052.72 11219.23 11868.08 10275.27 13676.17 12014.31 9705.69 11388.53 16478.1 9517.23 11473.23 8207.28 15661.64 12718.03 12450.43 11961.63 12712.72 12701.16 12443.63 12529.18 13415.27 12590.63 2'-Deoxyguanosine 52752.56 50781.73 62355.86 73285.73 110068.33 62856.79 105355.65 106493.75 83525.66 37873.24 28182.79 37765.2 43190.55 28592.74 86537.22 73085.66 29487.56 67428.68 30138.62 137138.35 45595.02 39755 38607.17 34245.26 69178.91 59723.07 27667 13880.12 116705.82 16324.08 91868.72 16972.99 44613.73 45617.1 24489.43 79122.58 58434.43 54123.63 33845.55 31705.69 47397.7 68717.59 46259.53 33446.14 44808.81 112248.08 80930.63 51401.4 27358.12 50404.94 89788.89 49933.99 37679.72 46927.93 51179.38 59163.53 70863.68 46685.23 59128.68 23029.73 54491.52 46689.51 44024.13 53930.21 36849.47 74366.33 31747.29 37038.61 44071.26 92142.61 63132.79 47075.19 47675.85 67972.56 80672.2 60859.73 61725.49 60843.82 60032.49 61294.81 61111.53 60841.03 61042.18 61289.43 Ursocholic acid 2314.36 6937.9 135705.07 24166.44 5732.08 677.32 18749.68 24117.4 6193.92 20864.82 7684.3 23605.19 39179.34 886.67 22435.42 27374.63 47390.42 26728.78 59930.51 15641.46 9397.97 5333.68 42709.13 1075.88 23684.73 3705.65 10910.45 11680.97 34527.15 9509.44 9008.44 5860.42 19466.16 14533.97 3104.5 15462.5 13573.23 3997.01 17899.15 1348.11 4551.28 6141.34 4051.79 2233.89 3749.09 13903.92 13304.82 27344.39 43852.57 21858.62 3328.4 14030.9 11467.35 20942.19 73390.57 3212.02 158368.42 9387.31 19251.01 13562.53 29243.93 7723.31 13627.36 36708.37 3435.25 13749.35 4726.35 12504.33 2304.98 18704.21 7478.97 30798.8 23884.96 42625.09 28648.83 2826.53 3116.44 4263.0 9989.77 5645.47 3621.54 3703.31 3487.38 2441.37 2351.16 5842.07 2517.78 5865.05 3381.64 5556.2 8621.16 5062.58 7433.91 10076.47 6888.36 5053.85 1359.78 3056.74 4027.79 1657.29 28309.34 27135.6 28525.17 27500.15 27114.53 26911.49 28532.99 28354.45 27371.2 Chrysophanol 470.81 869.84 8746.81 6983.68 8721.79 4581.27 9542.27 202.38 1101.43 5724.73 1380.94 2180.47 29859.49 1335.03 581.3 2901.51 12369.95 303.37 11525.23 683.88 1777.5 1828.46 594.89 2161.31 2268.89 2691.73 3281.71 2112.78 36232.25 2073.3 166.57 1519.96 3581.45 4773.82 5318.69 3336.4 526.55 2738.66 906.18 2857.41 3813.73 3111.19 3126.92 4254.46 944.48 141267.12 1175.01 1294.5 76665.54 19042.98 3770.31 987.54 3408.83 13249.07 5112.1 500.58 8613.44 2921.95 2779.07 1915.31 2300.86 1698.58 1644.12 1196.98 523.84 18845.32 3576.63 95261.8 2914.31 537.68 868.73 6580.89 2466.14 6472.6 13773.42 10135.38 9897.17 9824.07 9891.6 9824.03 9758.08 9897.09 9824.89 9891.8 Imidazolepropionic acid 449.87 29975.92 10753.11 6699.38 32755.77 26462.07 9500.2 29700.46 71465.29 17148.33 6322.78 20151.89 15176.68 11032.6 20501.2 15827.69 463.2 26965.61 43323.18 36732.6 85955.75 15130.96 8672.46 11545.57 6453.49 619.42 2651.88 11966.81 30743.17 1492.44 426.82 528.74 80011.49 3510.62 3267.12 21990.43 908.51 1855.6 542.6 3509.73 10452.66 2981 581.96 4179.01 536.76 21045.64 29406.7 80186.63 5047.31 9536.16 3351.52 2378.87 1010.54 11975.34 1625.35 9787.69 8290.37 4268.23 16743.75 16182.3 8518.01 554.51 15529.61 12813.87 14356.03 2348.36 68239.48 17045.66 1468.21 12768.25 38432.91 925.25 2867.27 2285.05 13680.53 12435.33 15655.88 14962.88 15127.32 14811.31 15114.56 15702.85 15848.85 14415.37 Maltol 671.16 2105.8 3229.12 3898.57 5417.43 6521.23 8986.99 4566.98 4307.59 4501.98 6484.46 5275.79 6988.5 5307.8 1659.89 5796.92 3267.74 2966.18 6964.84 628.28 5639.38 3629.33 5344.79 6451.02 904.55 911.17 6926.92 6481.86 13993.57 5578.24 2103.29 5550.73 697.99 5205.07 7928.41 2037.43 1954.41 2190.05 4969.45 5217.36 3993.14 3564.21 6997.73 4616.16 2801.92 13425.81 4868.94 5712.04 8163.12 7908.44 3313.28 1869.76 6266.86 7553.04 1127.5 2961.15 3647.15 3957.66 1775.68 1761.38 3670.38 2741.18 3035.83 5630.54 1594 1145.51 9558.83 6919.44 6062.57 2008.06 3628.5 4445.54 2710.64 6219.49 8582.94 4407.24 4247.89 4406.04 4224.29 4408.64 4522.96 4204.97 4229.33 4339 Indole-3-carboxaldehyde 13390.53 9864.6 25339.45 15385.04 7188.23 2416.9 17308.71 8099.85 11268.76 13381.74 18322.9 16213.98 18147.68 17581.17 5933.21 14592.07 7676.98 5476.49 4716.26 893.21 13802.45 1008.14 15657.52 15361.45 7364.41 3147.86 6368.56 12509.21 6157.26 5135 8034.18 17043.98 1673.77 14081.83 13450.84 4553.97 9791.23 7650.32 21303 7180.06 6265.14 8789.23 11117.02 23118.97 7906.56 19431.13 7102.69 4249.1 18931.43 10001.38 18784.53 14520.94 12765.66 13637.91 12023.7 6870.59 15611.24 8517.41 4371.22 7200.75 11113.03 16340.61 12789.41 13343.74 3641.69 9949.43 10124.83 11336.5 12265.2 10003.07 11958.74 10083.8 14621.52 19055.27 40254.76 1225.14 2979.82 1441.47 1916.93 4754.7 1433.23 1767.73 1917.33 4135.54 3422.89 1953.81 2466.1 550.32 754.19 2143.59 1613.79 4913.97 1073.92 3635.38 3077.67 2797.68 4960.37 2904.02 1201.93 12234.3 11959.92 11857.56 11960.96 11507.18 11856.69 11961.52 11855.9 11869.01 Methyl 4-hydroxycinnamate 6206.37 2850.34 1703.07 964.44 1132.51 1140.75 3356.68 2681.57 428.09 1839.85 2795.59 2119.98 878.89 1736.33 2584.58 2711.44 7532.29 2599.37 1076.62 1982.73 3889.84 796.3 748.83 1094.69 2895.32 2795.9 3516.73 1441.59 1340.65 979.86 6951.45 794.95 2452.44 2229.89 5865.05 1517.75 1533.01 3257.3 1134.01 2273.81 8076.32 2417.19 1020.28 4430.56 702.32 2375.23 5265.14 904.07 1789.27 1305.75 22830.21 1781.6 4476.19 4387.38 2106.36 4570.3 2236.39 1095.53 6554.54 1051.44 2452.14 554.8 2458.65 1616.95 1562.49 1412.65 2634.82 1815.72 4236.11 1530.06 2809.42 2217.1 707.74 1118.05 1799.35 3204.53 3204.41 3110.44 3179.45 3279.25 3094.19 3092.25 3075.2 2791.41 Choline 5602.39 4548.62 22475.82 31666.57 12598.43 19247.05 32354.7 6488.62 5438.55 5345.44 11364.11 18719.5 20832.32 9009.42 5321.22 19205.95 6937.81 5031.63 3447.51 4047.64 12250.12 4855.69 7679.59 7243.34 5075.71 10084.24 8644.78 16918.69 4072.94 18460.87 5181.32 20354.35 1706.86 25302.11 14679.55 4068.13 6298.79 17197.51 10781 14047.72 24861.61 11551.88 8732.23 10135.33 5507.81 34946.09 3346.02 2223.64 3992.25 8332.47 11055.21 7442.45 16723 44010.37 8147.64 5356.8 20347.92 15000.99 5069.32 29089.95 13748.76 14260.95 6760.12 26042.58 6610.24 13378.56 8701.51 8368.86 10140.44 6086.77 2769.15 8962.17 8911.84 23334.88 43961.25 53958.39 50955.27 61057.02 62576.83 93242.4 47176.15 57626.93 46513.38 38972.59 34746.27 50739.92 30141.9 44298.65 46471.05 33821.37 50367.83 46728.82 60854.8 55305.88 29954.91 59552.05 42744.66 43442.86 44523.68 57307.99 14094.15 14094.18 13722 14201.07 14096.16 14120.45 14201.44 14102.85 14205.18 Allopurinol 133984.45 182256.33 332754.32 92568.24 130254.08 44933.89 220140.92 141039.51 176898.52 126416.07 221320.7 163069.94 194540.02 204681.01 274680.88 206509.11 236500.88 211521.66 82007.82 118750.14 117506.67 55172.16 141864.18 162772.45 115939.07 131731.1 120339.36 122272.56 98465.3 10184.25 143259.87 57974.14 128239.09 173670.43 223065.07 59398.63 176464.84 171186.08 169245.17 244807.78 56021.06 94073.88 225226.53 255607.83 140997.59 183343.14 205778.68 135001.44 62110.27 137730.89 138327.49 183618.76 186936.71 242540.6 140712.54 266520.17 424015.51 331229.14 145418.86 190708.01 256756.69 218414.68 317338.3 374534.29 268415.15 212412.57 162848.43 168665.19 182863.01 174086.23 213358.07 154488.17 310635.04 407078.05 328464.27 73416.61 48290.95 53164.95 55323.86 44983.29 43686.46 69623.58 36930.8 50758.17 59223.14 191091.46 67052.09 48352.86 39809.1 92656.31 60691.3 47010.88 50080.78 65187.39 63900.71 61053.57 72173.38 47027.32 81515.34 52879.58 205985.31 205046.95 203433.56 204822.37 200814.21 205113.08 203389.6 206970.89 203401.67 LPC(16:0/0:0) 119739.94 96212.44 548481.71 248398.42 95790.49 377025.97 117110.24 120021.3 334152.41 71161.04 181313.73 563435.73 430738.67 74632.67 73157.66 99161.52 109435.6 62074.74 42395.1 129720.83 432878.39 109521.2 141942.03 67276.3 107721.84 135639.36 68323.67 207133.41 100424.11 294113.82 111225.04 398394.27 63203.72 280686.42 98807.36 117051.99 116207.44 217266.94 56204.4 97207.2 965371.11 324659.15 115036.42 96827.26 169992.31 231740.54 129389.09 39410.7 38984.74 165824.51 207702.38 68610.36 211989.56 296803.84 182886.98 87655.83 182063.3 134189.05 62148.83 183824.44 223855.58 109126.1 210600.55 155789.99 46203.31 205070.77 241926.97 140225.54 101286.27 123165.75 36985.78 72329.44 61145.71 243069.19 568202.43 248961.38 161053.63 226401.19 188115.87 246095.7 135339.62 79618.59 194320.16 219625.47 37706.73 46730.83 103739.74 60173.54 169260.44 47045.33 67481.61 83168.85 332524.4 118936.27 65985.72 120317.67 61071.17 97635.14 146167.5 482543.91 202397.62 199504.39 202005.15 194484.42 195451.88 201226.21 214997.41 202154.47 201950.88 Threonylproline 8580.9 13172.28 10588.01 3707.71 43180.91 13090.41 14272.61 9240.83 28194.94 16111.34 3514.96 15767.57 950.31 2252.51 29622.14 16787.58 5596.66 23363.74 18786.91 7606.4 1960.5 8786.33 1142.43 12279.4 19953.27 14038.29 19469.08 4524.78 7460.89 6271.87 3037.19 28150.68 7848.48 5232.31 6099.04 5242.4 19638.63 2279.11 7625.92 18964.14 8609.18 9993.21 21923.12 7107.25 10802.02 5745.87 18607.39 12533.68 1887.52 16977.15 4748.55 12075.46 17593.7 17080.09 12985.86 3006.85 2158.28 15089.75 8992.21 6523.01 8642.32 9810.49 18682.76 22064.26 17101.3 32972.55 2445.38 2195.41 10842.32 21066.63 15492.12 12832.13 8009.97 18022.1 9772.88 14525.64 14238.22 14363.08 14512.79 14239.18 14507.81 13974.63 14514.78 14795.04 Fulvestrant 7249.5 8857.87 3337.47 5091.67 17201.46 94958.4 31213.02 7967.99 3063.71 6764.03 1157.2 6245.07 1113.46 4936.57 1069.01 7748.27 3469.9 6021.11 4930.42 10697.83 6237.68 2889.84 3232.37 4404.28 1059.08 2234.21 5457.99 4879.09 1521.93 4829.3 4217.18 68197.33 6332.17 12517.48 9026.96 5879.97 8111.9 4391.81 5238.51 3675.99 14410.56 11574.33 2855.84 3565.63 10081.78 3020.73 3406.78 7861.36 6621.98 12084.52 4851.26 5666.27 2273.84 2507.55 7342.37 6915.17 1586.73 1082.48 7629.2 3794.76 5615.32 3430.03 3494.72 2076.35 1829.52 3791.79 6647.15 2187.89 4558.78 7282.89 5466.89 3706.69 3005.04 6390.48 5392.39 9025.39 6126.67 3852.12 2094.57 2526.75 5872.18 9762.64 7965.35 2538.99 4309.86 6554.97 8221.61 8408.79 547.64 7745.14 939.98 8221.77 12314.37 949.27 6627.24 6742.59 4211.34 5817.74 4719.94 8415.95 8330.01 8847.25 8067.88 8406.78 8834.58 8718.37 7977.08 8727.75 Tyrosylleucine 86512.9 50321.47 94073.81 77614.39 78615.79 67766.49 96739.11 68883.06 90106.44 72320.92 72008.5 108093.72 116544.82 92624.88 83121.63 126257.66 61899.34 73147.68 126844.78 127491.27 73672.74 70688.17 66494.59 74398.08 68172.89 73836.05 79191.35 86097.58 145642.98 116803.81 88605.2 159407.29 44208.62 99428.86 74526.72 74187.04 61003.79 47058.19 105049.65 63820.97 111913.86 114641.91 91120.64 57032.67 91042.24 96324.08 128419.21 99018.72 90457.59 175497.42 72001.83 58443.43 74224.66 103421.99 47749.39 56087.38 72627.8 29758.81 56799.16 26535.28 54267.15 55963.23 50546.36 107270.41 58645.33 78702.06 95262.29 99216.06 98830.01 63376.54 67741.02 77835.74 73344.13 114005.38 98160.9 13602.49 14734.97 10906.28 13779.45 5661.67 15519.01 13317.43 13569.81 10464.68 15339.23 14511.1 9238.53 14259.51 12460.54 11506.44 12233.1 15303.18 14748.48 12047.79 11525.16 14654.81 12755.5 15367.3 15587.94 13195.6 106214.33 106228.55 101431.96 102375.01 105479.54 106221.43 102299.47 104776.53 101495.45 Octadecanamide 32563.41 73590.27 70714.9 46539.84 44857.98 71183.78 31411.12 33956.84 41596.25 81085.5 19908.97 35314.06 32055.31 33383.7 61084.86 34278.81 43565.89 57636.54 52521.68 47654.96 44061.89 47288.85 34240.18 41573.48 41079.5 37267.45 57712.85 38532.13 49345.1 45440.38 34491.45 51503.35 37770.72 37447.35 60432.55 37570.73 42706.77 54209.26 41358.9 58442.53 44021.18 87816.55 33363.57 37916.46 36871.92 28050.22 34204.49 73726.21 31655.96 35838.97 26972.96 27416.04 38059 38665.49 37469.59 59103.42 44113.38 46432.21 35320.17 65869.98 38380.09 47293.24 33286.45 37758.72 52663.4 43037.07 48472.08 35408.06 50906.84 36385.36 45663.75 36008.74 44219.96 53844.23 44604.79 68276.35 44101.88 46370.14 63796.41 52541.35 54489.54 95689.4 56788.05 53673.31 50249.18 45211.72 52714.78 62698.59 21305.28 35968.53 82439.82 54233.79 114918.44 77915.1 34978.55 48613.78 120295.24 92023.77 80149.87 51241.35 58539.82 53069.16 50772.29 49710.71 49842.39 53651.27 49842.22 53032.39 49776.57 1-Hydroxylamino-2-phenylethane 329981.57 294345.06 664846.11 667575.36 498535.8 189939.07 936042.99 537001.77 486709.52 335652.53 490125.7 571909.09 557417.88 476304.59 448711.57 495970 344106.09 411831.62 559783.27 388850.99 335958.91 139282.06 410937.18 557336.01 514905.46 285390.12 444527.93 507241.23 319665.31 149802.62 278605.96 395478.77 189394.89 607485.18 605874.41 387433.6 416011.13 306006.63 553163.78 577410.41 75966.17 237162.11 619476.52 390482.88 342111.55 918337.82 354380.27 384958.88 547328.49 377739.75 752685.49 421365.41 601869.86 1077324.44 504084 311329.64 556455.64 554459.63 247502.31 453240.13 448519.31 367086.57 585748.77 889640.94 401963.18 498458.8 290965.93 341407.83 373214.24 452420.08 396863.27 319681.38 652514.6 736030.04 769663.59 16373.44 12375.93 18689.12 48768.15 21041.31 17818.22 26874.81 10731.42 10418.56 20724.72 19643.52 12491.31 14875.74 10280.64 23219.48 10323.69 30703.81 31208.62 12592.7 20402.7 20030.76 22699.87 19431.44 27438.57 12678.89 467202.24 465392.91 464671.53 466212.71 465336.09 464447.51 464353.61 464764.54 466227.08 4,6-Dihydroxyquinoline 320.91 1837.44 15331.34 13507.1 415.95 98931.17 7412.51 1446.36 1716.87 8487.94 660.7 862.82 735.19 439.64 2311.66 1438.19 2464.39 1407.37 2197.19 2195.48 1093.1 70482.04 333.75 3017.76 1625.81 2340.09 170.85 921.99 2944.55 868 1610.03 425.14 1034.65 12640.38 1185.17 511.8 520.13 88032.71 842.9 881.19 1158.1 1805.56 761.83 1393.25 1062.73 1123.9 1620.31 4893.66 1866.69 1894.44 1626.92 3695.47 1167.36 951.46 1650.35 1690.2 29425.94 33059.7 525.27 65950.85 2451.5 2433.45 1376.35 1906.41 1333.05 898 1489.21 2211.56 772.18 577.84 1116.44 1190.7 1504.81 7858.29 391.38 15970.15 15673.73 15674.2 15613.64 15589.64 15622.94 15673.54 15544.52 15628.77 Methyl linolenate 15108.39 22477.53 68589.38 51910.88 130905.65 165476.63 38843.91 18643.67 4630.67 9636.82 5639.21 13514.21 33735.53 13075.38 27865.83 322146.98 156027.94 27720.53 21167.38 22486.47 24662.51 7080.52 21336.25 9377.19 17223.55 7815.56 10935.02 17617.34 10388.95 13066.85 16184.44 1382.62 14726.05 12013.62 21439.38 21358.48 21578.61 7804.45 7335.46 13408.66 47043.73 15110.03 27253.33 8441.34 14114.98 16371.46 25119.45 8641.2 3980.45 132589.07 7615.29 6988.29 13593.77 72743 2293.89 47278.44 120453.94 45789.94 8603.75 74641.87 32783.97 9734.83 11569.47 44819.44 11757.8 28590.67 21151.86 7217.91 16140.97 22704.26 10182.11 19213.96 22428.42 76556.34 26438.06 69506.18 55691.97 69167.09 66700.8 69745.4 67164.91 68413.52 67528.01 66837.77 67688.49 59038.92 69219.37 69441.77 68311.85 64015.49 54359.38 69413.26 68043.61 67209.29 65792.12 68916.34 66996.47 68131.25 69870.9 62785.22 39504.16 39508.07 39876.43 40567.8 39767.91 39503.65 39881.49 39597.73 39508.4 Oxypurinol 81294.96 69385.86 115224.17 148885.39 50896.97 14431.42 153228.21 78638.17 49380.46 41307.29 10458.95 63617.79 43686.94 61196.75 108189.48 81163.73 54951.09 122003.05 20695.31 46273.31 68599.39 17886.55 59279.23 66554.71 64568.19 22027.82 42925.81 20814.12 43144.3 3034.22 76757.47 10107.66 50484.22 59763.15 49603.26 48597.48 81960.61 27434.53 90931.75 11974.85 2659.98 10578.88 70815.73 44353.12 11293.55 98070.9 104296.59 83660.76 14406.36 27499.69 34474.5 112130.14 29048.64 89368.26 33757.25 73243.35 108884.08 89499.75 65596.5 70804.85 62485.5 146896.98 80710.21 121135.72 34163.6 107407.76 24599.27 45987.34 68216.79 84572.52 21986.68 42658.92 100366.28 121428.37 158441.9 73580.33 73578.43 74534.18 73933.17 73969.55 74122.94 74111.31 74128.81 73208.54 Pantothenic acid 25218.95 33380.44 92358.12 74713.71 48870.24 12570.64 55630.28 36524.82 26307.3 20082.8 30386.61 20444.97 30233 36610.96 46221.93 52541.88 35252.51 37705.95 17330.74 23523.9 20141.07 7913.65 21606.97 38673.97 28009.32 19253.99 14093.06 15325.34 32904.31 9409.74 19017.38 18383.44 21616.14 46499.01 53809.84 15875.91 35721.21 20831.01 42901.49 37141.78 18703.71 14019.41 44396.33 45595.27 22149.03 39878.56 24180.63 11528.47 13382.68 30837.79 20977.41 50329.71 47973.34 68079.15 47711.63 54857.52 156766.26 98652.66 22812.15 28129.41 59880.88 37357.46 70657.18 98454.26 46316.32 34177.42 36617.97 24778.89 27418.02 38766.04 26887.6 18198.46 67634.55 87090.74 73875.7 56735.56 73748.33 72533.84 70224.55 39623.39 55895.73 65388.82 40892.39 57547.26 70556.52 70985.06 67730.35 75728.84 68045.98 82796.64 62999.42 74958.27 75746.33 59035.75 63002.13 114215.51 71970.11 62047.5 69311.87 59257.72 40255.06 39984.51 39802.78 39802.75 39835.04 39805.06 40269.6 40023.56 41509.26 Styrene 59886.15 90903.39 29929.41 30999.52 54568.85 32508.5 52454.66 78106.63 35108.93 90744.07 42469.52 61121.42 73794.25 63201.78 82399.3 57775.57 38761.45 67211.15 90144.84 18041.05 13274.77 8074 42033.03 44836.84 91629.2 48555.26 80016.29 63707.35 95317.01 3120.15 28979.98 75754.72 68067.32 31419.69 29436.61 91532.11 53026.97 46426.54 40450.31 60812.99 21288.34 62143.21 41896.09 39352.42 47369.53 36275.85 53009.44 106368.61 54837.13 76159.27 40179.3 56203.86 37618.52 39871.61 44057.46 72929.99 34952.67 38078.3 62279.88 31475.41 31220.78 39007.52 45258.72 28360.68 51044.24 67186.41 30636.47 77469.73 71554.73 60634.97 53532.56 68239.3 41290.57 47023.73 44816.44 51998.82 52474.87 52615.31 51998.65 52105.21 52571.29 52174.42 51996.64 50940.03 Alprostadil 320.84 49.5 199.71 4871.85 18316.37 18648.17 4070.97 48.81 177.38 127.62 112.53 123.7 800.45 206.77 347.28 830.12 118.81 238.82 175.21 489.8 240.54 55.25 225.15 99.58 192.15 136.13 170.58 184.8 327.13 86.14 57.06 5285.2 146.69 239.91 258.64 63.83 139.64 814.46 191.25 225.03 5947.98 791.19 192.52 309.94 373.53 1783.56 529.62 452.46 429.13 187.75 160.56 281.5 144.34 367.53 186.9 324.62 445.29 314.44 117.82 396.11 42.59 477.08 213.18 190.02 51.67 710.53 343.64 149.46 225.87 372.55 77.53 141.86 238.74 179.06 185.29 3424.33 3353.21 3371.52 3352.91 3298.85 3350.65 3355.06 3378.04 3377.8 N-Acetyl-D-glucosamine 27044.44 19460.12 18300.24 54151 79473.52 14858.17 62625.78 58477.81 95762.44 23119.36 57697.34 60772.79 29042.87 13920.18 37016.08 39193.6 18768.54 57427.95 16747.09 31666.52 97947.93 5958.27 20582.48 30507.27 50771.48 37274.41 40290.3 92458.43 27469.6 57149.81 68557.38 32070.65 12225.47 93494.36 117672.41 28460.33 55889.93 29445.97 24359.27 112672.11 17324.02 18741.55 49663.5 4093.94 32983.19 81715.2 68013.35 21105.65 27662.2 23639.42 66787.69 35709.72 104061.52 128748.82 62583.61 3923.6 12667.79 42732.59 44659.32 64858.87 12150.47 13472.73 59650.02 190500.51 75505.06 87800.48 72632.59 11586.08 16870.68 46970.61 27755.01 16495.34 59996.92 90693.8 39295.42 125208.04 114688.33 238504.29 149731.07 205760.2 186707.4 431112.83 173802.09 81266.64 96893.67 217456.75 90557.93 316508.5 173989.36 117744.85 124816.93 147094.03 139193.04 185462.84 194481.94 377185.76 124927.24 223730.61 172890.34 364712.14 46714.41 47191.99 46726.16 47630.46 47687.1 45912.72 47581.34 47576.09 46863.89 (2S,3S)-2-amino-3-phenylbutanoic acid 17510.83 12241.67 12728.94 12845.58 26978.3 5555.74 20790.31 24196.23 25789.97 34708.94 14223.07 19646.48 17203.73 14840.73 18698.32 21544.45 11972.09 19675.11 25461.15 30964.69 19157.4 11342.56 13160.17 17444.21 21426.87 19150.44 16549.02 18619.86 26416.23 13551.05 22683.51 29061.55 11581.53 19400.87 17651.08 20487.53 20834.72 6526.87 16143.68 11689.17 31787.97 30220.94 16220.55 9618.92 23653.39 16877.7 24103.39 17741.99 16341.81 25907.81 18032.03 15018.05 14435.05 23071.87 13563.08 14384.87 7891.88 5821.97 16355.65 1294.33 11331.27 9480.4 11738.99 13884.5 10357.61 20714.85 24867.38 15022.43 14759.03 16793.16 16732.34 16769.36 14381.79 12523.56 18239.62 16742.38 16742.35 16746.87 16568.09 16624.83 16718.82 16658.41 16101.51 16639.28 3-Methyladenine 5755.17 8866.61 8649.22 4986.77 2952.88 3522.27 4170.67 5825.09 4944.4 3222.66 2939.96 2367.59 4226.95 6325.75 11962.91 6917.23 4595.6 10775.08 4582.81 6691.4 3776.91 3198.15 2722.9 4560.82 5865.83 4273.65 5680.28 5256.6 5812.48 5185.53 7254.03 4314.73 2723.91 650.66 1196.02 4941.74 5791.24 1227.12 2590.95 615 3647.97 725.77 5609.2 7628.9 7397.75 3816.1 9335.03 6141.13 737.33 3632.54 3707.64 4851.19 639.53 3670.52 2843.38 8839.54 3542.21 4507.79 3369.7 3889.03 5617.98 4131.09 7206.08 4750.63 6426.04 5088.34 4986.72 3982.62 3976.34 6645.14 5915.93 4271.16 4498.43 4772.97 3746.18 4368.56 4398.24 4397.87 4233.46 4376.98 4373.25 4390.39 4397.88 4368.36 Alanylproline 13045.43 24413.25 15257.7 16005.89 51717.18 19306.22 34497.91 26640.88 25103.67 19033.44 9735.46 20179.46 8584.89 7599.04 34685.03 28428.76 13540.94 29668.32 32714.75 25780.97 10045.43 14033.55 6897.17 14110.08 22360.87 26245.42 16643.13 8900.57 19366.1 4862.09 13380.75 27307.15 19578.82 10815.6 14144.1 26450.41 19283.11 12480.05 6986.79 40058.2 9008.74 14990.03 20478.75 8882.04 19748.14 10664.29 24836.92 15993.01 8027.8 17769.63 12744.8 11252.93 11551.82 28427.93 26491.1 28733.15 18972.72 26645.72 23234.5 20340.55 12405.78 7805.55 23434.03 32467.56 30277.55 27747.38 13292.82 10780.05 11922.39 45832.72 24663.26 15021.65 12723.61 54835.64 10783.42 18675.68 18299.29 18951.09 18958.6 19074.32 18947.89 18805.33 17057.62 18853.26 Phytosphingosine 239632.47 259273.12 207953.05 266849.39 250768.94 240593.14 232204.74 215413.6 259019.12 243656.99 161338.63 162194.9 185062.74 258312.49 245310.68 263626.53 266275.13 206522.6 288451.46 277725.87 207249.17 195783.17 174848.27 218878.23 255517.05 277708.68 259796.62 222636.92 255355.75 251414.84 207649.37 237837.15 166424.74 205178.27 234789.51 256297.73 301375.81 241293.72 243035.36 271834.72 236907.11 251803.9 245141 219057.37 221011.93 228343.26 242150.64 227388.54 217274.58 241872.36 214519.82 219555.96 208524.42 253397.81 243483.08 228043.85 218319.67 207674.36 223466.44 232136.52 267363.14 267620.94 249124.38 258209.69 193854.8 269785.18 256031.41 244901.05 249760.81 238361.05 224654.13 255224.65 245691.44 231564.65 309367.85 320694.98 232427.88 302429.31 239830.35 260373.78 246575.89 293817.36 255224.43 253059.63 240169.64 260392.74 306531.61 291961.17 315557.22 286968.92 231693.47 283985.3 306055.26 277764.98 276256.04 239543.84 249168.63 243578.85 286434.07 247451.98 271078.96 270978.68 271099.39 271102.91 269919.96 271082.54 271085.2 269127.4 267713.81 His-Leu 1004.04 5920.8 623.64 4328.64 24280.63 1872.59 5474.73 2215.34 7738.53 2994.69 1336.15 11431.34 3373.61 442.08 10978.94 6314.06 2838.35 1473.07 4508 5391.3 776.53 1692.02 911.86 1130.13 8311.9 8102.58 2243.18 1266.23 798.06 1504.63 1615.03 1234.9 3165.01 5199.96 582.33 4916.55 3957.23 2028.71 1447.01 1678.31 601.82 7601.22 3450.97 912.16 2624.03 6515.55 2437.1 2565.99 3596.4 5309.46 4727.61 957.55 970.58 4442.75 2651.01 3513.9 3290.33 1382.95 3389.43 8136.76 1281.82 1214.92 3274.94 1741.47 1190.5 5005.54 1895.57 2265.35 1153.38 4935.68 4558.51 2621.75 738.65 3364.17 3251.79 4171.51 4252.06 4118.47 4227.11 4150.8 4227.5 4229.31 3795.81 4228.34 11beta-PGE2 232.35 508.57 1755.02 1780.69 17411.89 39429.57 35102.07 1429.28 1029.68 184.88 163.87 1186.88 6000.11 492.82 220.6 1085.07 1503.16 1195.63 471.07 427.54 636.63 151.66 836.36 941.62 139.59 142.65 140.17 698.92 1187.73 328.28 191.5 1600.18 149.29 2471.98 2702.32 995.68 740.8 2259.13 1360.26 1368.15 11923.86 3174.73 1913.57 1675.94 2507.57 12960.41 560.48 1042.7 1163.91 4649.81 2193.12 2037.02 846.51 3813.22 3496.63 1847.18 1517.31 1616.12 951.36 5258.28 1297.08 1443.26 1178.92 2245.62 1079.65 3595.8 1988.04 898.78 707.5 732.28 727.2 1548.43 495.21 1014.05 2773.37 6506.95 6205.91 6031.14 6216.51 6305.35 6248 6311.89 6311.57 6197.37 Proguanil 9902.97 5815.01 129.82 469972.77 4667.18 38388.45 35155.89 196.59 16866.11 16151.5 44037.59 34928.68 454451.51 4967.89 5143.92 70856 2755.45 25813.83 7791.03 636.95 8734.12 4065.39 679.22 114.63 93.06 59775.63 2328.19 5071.88 14471.88 19722.59 225.94 70184.22 93.76 17925.54 313566.64 3273.11 21240.55 204.15 4231.66 5120.29 103464.49 22309.56 3780.79 427.42 18432.43 734923.18 5200.35 581.13 20164.56 30312.61 11362.14 983.05 6139.07 24788.34 2039.23 10422.63 138.1 237.14 21518.23 538.34 181.04 5545.62 589.24 2588.86 6569.86 33772.84 285.33 3086.64 6218.73 11808.54 104.15 2170.58 202.93 243568.65 33531.55 45160.08 45250.73 44632.15 44853.43 44882.96 44375.38 45200.3 45186.92 44476.05 Oleamide 730701.65 637071.57 622966.01 568070.39 763017.49 870965.32 586125.52 702592.89 916734.66 756846.04 683413.43 635615.55 649315.7 1112127.24 1359394.31 818741.03 1165980.47 1962450.33 895789.95 2821985.42 1030486.12 1109790.58 855748.11 519843.38 404606.96 1226487.76 867109.52 526081.75 583653.26 814107.79 846153.93 637977.14 871030.42 1061575.58 846685.94 1122814.99 867055.93 811659.73 474605.53 958874.93 764552.06 354392.28 769671.27 945165.48 395821.17 422121.56 509123.38 841426.08 1312845.41 746202.17 592182.03 494676.12 1042432.62 750065.03 716311.98 646937.74 336306.07 281270.06 343056.88 678474 629041.15 306748.18 294309.17 515800.55 270953.01 408832.93 337057.26 358206.07 578540.07 236107.82 354222.77 204852.19 435303.9 638393.74 374693.45 455862.72 455323.37 456177.7 457741.05 436244.65 462824.62 464241.09 456811.58 462747.18 Betaxolol 2651.05 1771.95 4236.09 3718.69 7383.39 4696.73 25642.78 2489.01 1965.35 1204.7 566.96 6456.96 11669.65 2481.69 2673.5 15822.01 3140.42 3289.76 9715.68 5930.3 1124.62 575.33 2562.31 2345.35 890.89 3893.45 2771.85 1361.02 9928.1 1920.45 2417.1 14225.91 1285.95 3500.31 2303.6 5192.87 821.38 2537.68 2236.92 1550.77 5782.8 4488.58 1869.96 2153.89 6002.01 19592.41 4009.51 7471.86 9588.76 24951.77 3529.07 4477.01 1739.3 5045.44 2438.75 5700.38 2314.67 799.85 797.32 3327.87 1709.73 3477.2 1724.35 813.11 463.09 4511.94 5302.09 3170.06 2744.72 888.46 2714.57 2198.86 1112.05 5792.35 7272.51 4941.11 4885.55 4801.15 4941.83 4877.04 4958.88 4822.23 4806.61 4354.41 2,6-Pyridinedicarboxylic acid 7618.32 10258.32 8402.51 9552.11 19687.89 1866.31 7738.57 18394.96 18345.81 9701.8 12096.33 9233.36 1669.3 6494.91 29771.18 8178.89 5304.83 28523.84 22093.37 15255.88 17520.02 8387.89 5503.69 16023.27 14896.72 6474.27 13612.08 8247.26 21499.51 1669.33 1170.21 8566.6 13100.27 7424.18 9697.78 8403.14 25575.05 8994.42 7827.82 20139.06 4674.84 11597.24 12449.23 6048.25 28267.32 12213.15 35274.62 10522.69 4762.82 12587.74 10591.31 12194.75 12619.33 19590.74 12401.06 7900.44 5436.96 12806 23924.42 4085.99 7210.67 3224.17 23494.51 23068.65 13923.97 10431.59 16632.44 3829.36 5209.82 22430.8 17934.76 7383.35 18582.22 23238.71 11136.17 14357.79 14140.61 14376.88 14323.74 14321.12 14528.4 14371.75 14453.41 14451.84 Leu-Gly-Phe 1288.16 2929.5 1124.25 1433.29 1228.78 1309.06 2879.76 3385.42 2707.91 2008.27 632.46 4589.32 6654.36 453.72 2246.2 1078.3 786.69 1574.12 525.58 3215.22 2254.16 1520.92 206.86 357.31 1954.79 1802.82 380.6 2647.69 1905.28 2695.29 1628.91 6799.27 1076.51 8447.91 3587.04 4203.3 3112.47 2000.89 4494.33 4036.49 2375.02 4930.12 4739.52 3084.95 4050.14 8405.25 4655.56 4587.15 4958.25 9481.48 2817.95 2855.53 6870.84 8637.61 4751.94 946.61 3570.22 1002.71 3538.36 2985.12 2412.51 2452.67 2325.06 7090.47 7523.39 6302.28 3173.82 2875.48 7584.15 2049.2 5074.59 4658.86 5066 7213.6 5699.73 9384.29 5743.54 5531.81 6411.79 4444.54 8114.65 8010.98 8021.38 8089.76 Acetylcholine 10948.73 31538.36 21432.22 30133 46610.74 38412.28 58895.23 21325.32 33980.11 13063.41 19453.23 12754.9 20254.25 15350.7 31828.89 36485.65 21856.85 15637.64 21570.08 61659.54 32427.29 12794.21 48516.23 31587.79 8736.84 20923.36 14390.71 9277.45 21033.26 11523.01 14206.12 10619.14 25651.72 44811.86 38454.08 11872.23 15082.97 41406.71 17068.5 16936.36 19868.38 11312.6 33187.89 15489.19 11528.1 12382 19472.51 32074.86 13038.56 19930.55 11122.72 27156.29 20141.75 25697.12 16808.51 24311.37 23846.73 12729.93 20925.32 23519.1 29861.34 19959.77 46144.37 41204.27 60683.42 18214.29 45478.07 10758.77 10271.05 23750.38 23421.71 20352.03 18803.89 24278.89 25569.56 25326.75 25119.97 25008.2 25869.03 25143.14 25439.87 25736.07 26096.98 25170.08 LPE(18:2/0:0) 26258.44 32068.46 206477.46 27547.79 2121.17 60443.67 7179.64 24221.34 31622.08 21263.28 35388.6 23969.71 25066.85 35938.88 38295.4 20953.43 33022.87 23550.61 481.37 19330.27 28383.12 25440.89 14745.41 25830.1 18502.48 1149.64 16242.5 27658.29 15253.41 13962.46 3919.68 36324.67 16934.01 41936.25 45304.64 15340.08 24905.18 23198.43 26891.09 26106.62 76245.52 15048.64 28657.98 38188.26 19694.1 12946.55 18807.81 9868.32 18072.07 16701.81 22331.48 35272.44 35705.77 34356.36 44186.08 41268.8 137255.98 54657.79 20124.85 34021.87 45874.3 23332.34 46066.13 50323.4 51869.11 30293.73 37133.36 27191.47 24053.64 33501.96 23317.07 12248.08 46370.49 43374.32 19586.87 326043.54 268614.11 317361.77 321589.25 350181.43 241231.49 208464.25 810106.64 382696.03 146878.78 124478.81 182181.28 344037.66 648204.98 110971.1 288945.46 240812.34 397900.21 313209.2 195985.37 192226.47 178316.25 316263.79 288214.13 459257.17 33675.6 32713.85 32897.46 32139.27 32434.07 32705.56 32103.1 32106.2 30329.41 Indole 5233.54 4923.39 5207.73 7424.49 4973.48 4903.77 13060.43 1173.5 4125.12 5456.07 4111.47 8946.6 796.15 7509.09 5918.16 7399.69 6069.61 5420.81 6093.71 5221.92 3240.53 3059.76 4688.99 6719.6 5232.02 7115.78 5949.81 5534.43 683.94 3896.86 4457.73 6554.04 5183.3 7223.58 4901.54 5342.44 6244.27 2974.57 5346.98 4303.15 3091.6 5394.65 6907.68 3119.01 5280.91 11105.1 2657.09 5218.39 6161.34 5950.35 8288.61 2584.19 4243.82 10283.97 5196.57 5261.99 5338.93 3417.5 6275.9 7942.22 5852.44 4096.11 5812.44 2566.17 3690.14 5103.23 6091.62 3845.35 3280.95 4678.58 5777.47 4422.76 3751.36 5694.38 7202.85 5286.24 5313.39 5348.51 5237.31 4059.66 5115.92 5307.41 5072.09 5016.86 Picolinic acid 55649.13 65537.02 133512.05 92289.49 91052.7 76921.65 54634.47 43379.42 32904.72 28036.44 38057.08 21869.07 128090.22 52699.43 49931.44 80793.18 59661.23 48154.43 26211.7 27774.08 582.57 5999.23 38509.82 69634.93 52010.62 43837.92 34375.23 32226.48 33882.68 17605.37 25054.93 33340.37 11083.9 92281.15 79872.32 35510.03 18151.18 24437.53 31742.56 59642.11 61068.28 50800.99 59090.75 59345.36 40857.98 48112.3 39919.21 17854.99 21654.94 58898.4 30849.2 54731.33 63391.83 93216.35 64201.79 42224.8 155734.21 103993.79 35777 28620.3 59639.67 55472.74 83302.64 95410.8 53674.2 67200.06 46029.3 51619.11 53239.74 58239.57 30129.01 22541.19 41107.03 85304.96 104601.69 52826.91 52531.16 52171.13 52529.92 52848.15 52996.57 52685.66 52844.31 53946.74 (2E)-Decenoyl-ACP 2007.66 2354.68 2055.12 2225.64 4124.73 4957.22 5373.79 3795.74 2649.09 2477.8 2007.59 6442.55 6879.67 1838.55 3525.13 2782.85 1561.89 2668.27 2914.1 2699.6 3072.67 224937.28 1539.36 2614.68 2086.39 2446.17 2457.72 1786.46 3276.97 2813.7 2182.35 2167.35 3304.94 3942.29 1962.36 2895.42 2109.12 27822.84 1744.85 2931.04 3072.21 2136.77 2253.52 2058.93 3220.55 2203.72 2756.34 955.76 2407.26 3248.98 1095.36 1962.05 2327.37 2780.19 1243.44 2187.38 2076.71 2061.11 2045.89 102642.92 1341.95 3720.4 2229.87 2209.47 2549.85 2387.79 3511.26 2593.89 2082.88 1798.07 2347.5 2533.64 3451.93 4860.07 3961.25 6260.76 6408.51 6037.7 6326.49 6200.75 6249.36 5147.03 6277.28 6198.42 6-Hydroxyhexanoic acid 2063.99 1783.63 1304.26 1602.55 1923.09 1460.21 10048.16 4655.3 395.49 1984.55 1116.81 558.59 1056.13 1057.8 608.03 902.78 601.42 727.38 660.86 682.63 499.61 408.26 617.74 1164.52 1464.69 1285.26 1442.89 1506.48 2075.64 1096.58 1383.47 3001.08 657.33 1559.23 1480.76 1955.37 1968.33 856.51 1917.13 1337.54 1829.43 2206.76 1618.42 1493.67 1304.06 1144.38 1393.37 1302.43 1602.95 2317.45 1429.8 1379.57 1911.71 1573.41 1314.25 1428.6 1772.54 1197.06 1100.39 1490.14 1892.92 1600.58 2050.36 1114.41 1121.81 1541.84 1316.93 1542.69 1335.57 1851.52 1389.4 1817.13 884.53 1150.35 1300.48 2092.77 2118.55 2154.41 2093.76 2277.26 2245.27 2246.96 2223.1 2199.86 Oxymatrine 48792.17 57095.23 38592 28110.46 21958.78 21662.16 38603.17 85793.83 49145.53 59153.49 91751.17 51861.27 44618.46 59566.19 61059.65 47518.07 60612.29 54137.64 44943.23 40557.68 62932.9 47058.53 40406.78 50015.02 48462.21 49594.31 50553.62 48425.22 33473.22 52862.56 57497.23 38678.43 49204.17 49158.06 50754.02 51180.44 54396.67 52995.01 70306.9 64149.98 42092.8 51585.27 56512.29 60541.38 40816.53 40601.75 43190.1 43282.97 15592.31 36167.13 46814.94 53982.98 53989.53 58595.07 62280.81 58631.71 61117.14 69126.05 61078.62 66126.05 61386.59 70708.31 62069.42 58611.59 69209.48 61581.53 51964.35 66755.49 61213.26 51060.8 64130.63 54036.59 42850.8 32307.4 38923.36 83178.6 137661.03 93295.21 84252.95 88319.06 88043.42 89055.11 82683.43 82255.56 83476.16 83825.96 83241.23 90085.75 85079.64 81842.83 71251.56 88665.71 83175.95 82334.29 83981.13 82273.18 86015.72 88224.44 84850.85 86371.88 47300.02 47835.93 47875.45 47321.7 47974.88 47985.99 48881.24 47273.53 47055.99 6-Deoxyfagomine 33730.04 34190.89 69168.41 67163.02 56612.9 103226.26 118169.47 47556.26 48759.59 36224.45 53569.23 45159.04 65743.42 42393.64 47399.81 50350.89 35409.46 44013.5 52913.76 65088.68 44212.27 20489.95 39888.73 59403.78 52569.93 38470.82 42099.83 49625.48 36762.38 16077.59 34220.95 44471.74 21943.44 67930.89 58818.72 38856.24 39345.93 27438.96 54650.75 57701.27 14892.1 33078.55 60235.55 43248.02 37073.14 105835.52 48328.98 44698.23 66055.09 40521.44 62399.67 39077.04 65348.77 112077.64 44475.46 31322.63 51495.62 43462.22 26917.87 48596.57 45018.12 41679.72 51963.43 75726.17 19973.95 48607.58 35149.79 41696.81 41573.07 54742.49 34967.49 32182.78 50384.31 68402.62 84088.48 50902.64 49315.55 50441.35 49524.05 49672.74 49449.07 49241.08 49184.45 49169.93 25-Hydroxycholesterol 10156.44 7945.63 7113.73 10776.32 20290.54 19362.45 5580.73 12043.73 8972.59 5049.7 28128.17 15196.11 26277.16 13766.43 8678.87 16860.01 7542.36 18737.49 16953 35171.69 38871.41 18474.37 10166.58 7260 10801.96 15108.5 8507.09 7904.88 24522.1 16846.05 19025.93 25594.75 13139.97 13609.71 16351.5 18650.07 9369.67 8598.99 5035.78 7397.29 17600.92 26583.18 32838.23 7050.62 36589.47 69023.64 26635.58 20993.26 11901.21 33233.9 16446.26 10525.39 15027.35 22770 2825.64 28419.65 17964.3 14420.47 12534.94 1620.76 15946.68 10321.34 16416.8 11151.45 7573.92 5997.53 9196.24 7591.08 8378.56 21613.25 4518.74 12116.42 9532.03 26916.8 8745.77 25269.66 27239.28 25306.51 22910.85 27090.27 27338.99 27061.2 27100.76 25943.1 n-Oleoylethanolamine 11079.13 2171.78 11311 7365.87 62116.96 200992 23971.22 2059.57 3103.61 1518.74 5200.95 11828.38 52572.71 6393.34 16553.43 74655.5 19659.28 7223.87 9324.85 8191.58 7814.05 7821.08 5643.5 14737.2 13547.85 13854.03 3608.34 4444.92 4596.48 12022.22 3950.6 27930.16 7995.71 12246.76 7390.27 2989.13 5438.89 6200.19 3333.9 8362.37 96504.38 16206.05 13187.96 6231.96 3869.8 22782.37 4352.27 6005.05 2907.88 60356.48 14482.94 5809.65 15457.63 41973.78 7256.31 6601.9 22219.49 12195.5 4517.35 32452.26 12058.91 7977.98 5955.89 12244.72 14855.25 14018.86 4882.69 4140.22 4543.03 2919.62 4415.97 3202.47 6475.4 20336.96 30329.46 16440.71 20235.97 18559.31 19670.5 24044.74 20399.29 20218.59 20393.39 20197.82 Nootkatone 42984.73 47330.4 42520.88 46685.54 19358.48 40074.72 62949.3 79755.05 46277.19 49152.34 89104.13 47739.12 40499.91 61268.94 56752.47 40555.85 49471.29 53474.01 46451.01 41674.55 60657.82 46283.32 41895.51 50504.68 45181.14 48178.95 49799.26 52152.56 39247.85 52347.99 42215.03 65780.58 43945.25 54842.43 54661.17 60327.99 53360.94 54056.84 53958.51 54658.21 34796.41 37593.37 47998.93 61126.78 45791.41 76645.63 50786.83 43312.83 38866.38 38783.84 52273.98 50815.99 60161.55 64823.56 59459.01 48108.34 49159.34 60434.93 54465.21 60979.6 57362.79 62020.78 51466.12 60898.7 62429.89 47446.26 45840.29 51901.78 45795.85 50481.78 51520.14 53716.5 46720.51 42578.28 44235.63 73119.79 101136.12 60022.98 58252.66 65613.45 59245.74 62393.2 46808.89 56680.98 64757.19 61409.88 60248.81 58805.94 57341.49 55208.58 44919.88 52773.14 64373.55 60553.43 70020.69 56370.74 65417.18 53475.24 50379.32 44145.84 44882.62 43992.25 43186.32 44895.35 47021.03 44857.32 43995.28 42382.16 45376.67 1-Methylguanine 4143.9 1614.64 5642.05 4422.39 5310.39 1595.05 7952.21 3077.94 3452.96 3112.34 3684.62 3258.75 16666.41 3778.49 3030.93 16255.35 3944.09 724.82 4345.38 6559.71 3578.57 5147.63 3147.63 1000.97 649.59 7495.35 3547.85 4089.71 890.01 466.63 2615.95 470.39 532.05 4369.65 4680.92 1921.82 3414.5 8082.29 4252.25 3492.53 2164.05 6770.61 4998.16 4183.76 4241.27 7598.2 3525.68 4206.19 2456.94 3949.87 5109.93 5017.78 2361.34 4884.19 1784.52 4251.56 4224.97 3929.48 2202.88 6503.53 4221.98 3445.02 4225.38 4543.84 2803.8 4138.96 3424.94 3256.74 3660.52 1472.54 3102.75 3745.98 2877.01 8007.76 6617.8 4090.73 4280.98 3791.53 4163.49 4386.95 4147.73 4345.55 4159.08 4288.08 N-oleoylglycine 547.41 576.02 3203.49 3294.91 4981.28 13453.39 4088.53 1195.16 1453.96 1343.95 8356.77 1048.86 5939.53 4810.26 792.74 11076.79 1313.15 7229.43 3832.38 446 1491.51 370.51 1948.09 1963.24 351.84 1558.82 339.95 2599.64 1343.56 330.82 677.03 6868.04 2052.5 5024.99 3504.13 2142.92 1546.93 12918.25 2727.4 1923.27 4984.02 28837.69 2542.72 2473.75 4717.39 10059.21 2546.23 2749.87 3780.21 14800.55 4415.74 4319.01 4305.71 7875.81 2027.66 3649.49 3462.76 1733.58 1522.7 2328.4 2650.94 2208.93 1689.13 2669.83 1657.87 5155.18 4806.5 2300.74 1782.09 1435.56 2176.84 1919.67 3296.26 5872.36 5134.39 46710.5 37675.78 46216.72 38873.88 40290.09 38938.93 44647.7 39419.66 40154.46 38953.85 45736.56 46062.51 43290.88 50483.89 43938.14 40531.42 43739.43 45706.16 42901.15 45658.53 38941.21 39127.73 39381.12 44502.26 38660.02 4387.78 4490.45 4509.91 4593.8 5272.11 4614.05 4332.18 4549.5 4418.97 Malvidin 2018.95 2347.64 3961.1 4578.24 4351.25 4968.56 4528.04 4096.47 3980.64 4542.6 4975.29 1365.15 4504.66 1516.07 5456.15 4685.11 18326.43 2839.59 3342.95 10585.84 3679.94 3684.09 1775.2 3660.73 2475.15 5477.67 5488.07 1359.56 5099.55 1873.23 3350.12 3995.82 6271.96 3013.9 5451.01 1643.46 2923.68 4232.64 2439.88 4268.07 3466.37 5017.74 2138.86 3332.58 4579.42 6046.55 10395.91 10370.36 2229.83 5878.58 72174.99 5654.03 2776.9 7614.68 5893.51 4999.72 5551.97 4255.81 8983.7 4732.81 1980.04 1851.85 4971.14 4153.72 2733 5425.63 5109.45 1497.18 2289.55 3864.68 3766.28 3644.76 4673.72 6128.44 5461.49 5770.09 5659.68 5681.95 5807.4 5773.35 5773.4 5774.37 5717.98 5716.48 Diethanolamine 16676.48 8612.92 21936.86 25966.58 17411.4 11366.04 27560.64 12288.34 12267.86 6580.22 16984.09 15243.69 13342.25 15471.9 6344.05 12335.16 11007.83 10159.77 5354.96 9478.06 24276.05 4095.9 17441.58 16832.35 11560.34 7742.35 10376.89 18206.49 6617.46 7675.74 14596.75 8280.7 4255.67 16588.11 16972.43 7294.1 11715.24 10624.53 16527.27 7399.36 8125.6 5716.03 10307.14 17032.51 7756.62 26369.54 7906.68 7424.28 8460.64 7866.25 15271.5 12361.53 11517.78 15240.85 10043.62 6858.93 15744.18 11619.82 6196.68 13758.54 14470.45 10767.57 11867.62 25089.52 12436.14 10349.6 11300.1 9078.34 9937.39 12547.63 6993.18 6596.19 12400.38 9365.84 20663.49 11703.43 12083.81 12255.62 12285.95 11999.01 11880.92 12547.69 12870.75 12403.76 Idebenone 18899.01 24132.23 12247.61 26578.25 76146.36 33139.91 141909.76 26707.58 6583.74 13408.42 9279.18 13324.86 22675.73 14420.01 22669.1 16382.63 13790.87 17352.94 3857.45 9526.64 32798.13 23574.64 7686.45 28287.03 23765.44 11800.24 8941.27 9427.19 26913.85 5542.01 25179.29 12705.41 6780.68 3956.37 15190.55 15542.54 26035.78 5543.15 4947.51 17371.83 42139.32 58753.15 19349.73 15554.58 21144.49 21119.3 27733.37 12860.23 15392.66 5269.83 5247.43 12116 13219.28 16131.4 39760.12 22257.23 14069.89 20124.5 22979.31 28661.85 23035.79 17005.74 24048.83 15593.52 13645.83 40644.68 9831.95 12114.65 26088.46 22300.22 5962.04 19500.88 13889.46 10600.54 12740.12 22726.46 22973.45 22992.75 22983.27 23596.91 22658.95 22731.16 22832.54 23309.85 2-Methyl-1-pyrroline 8881.38 3492.47 5554.42 3170.19 3879.39 12659.78 8402.8 4155.88 4581.82 8287.87 1895.15 6578.27 4647.28 7350.47 4441.94 3933.08 5561.32 5893.57 2861.2 4344.39 8502.02 65318.12 5162.59 3074.06 2982.89 3484.24 6899.94 2340.88 3148.35 8021.32 5484.01 1579.31 2943.57 9237.22 8463.96 3509.36 4523.15 10510.59 3182.39 5772.47 4040.99 2927.51 3084.32 2789.68 3189.26 10658.89 3517.78 8701.01 2746.11 8666.45 3728.31 5524.34 9062.14 10111.61 2810.49 3260.69 2658.28 3220.09 4770.14 41571.33 2727.19 3535.39 6577.46 3350.38 3206.34 2880.16 5064.85 7975.14 2802.53 4022.34 3458.71 2737.01 9648.5 3707.21 5175.54 7691.59 7636.61 8314.67 8313.38 7635.72 8315.93 7630.26 8316.52 8313.18 Dehydrocholic acid 17165.8 13769.68 14684.73 12674.86 82400.06 117684.38 75354.01 22377.26 73235.41 4232.64 9718.29 14219.65 13120.14 17925.6 14564.43 43732.97 25423.8 21278.26 25094.16 14844.61 24824.79 13514.65 22184.08 16046.93 21133.46 21929.21 18902.46 18623.26 18076.07 11427.17 15341.71 54630.76 14808.74 21526.46 14798.49 27892.36 23055.53 7596.11 19233.31 15120.2 35504.27 21592.75 17203.04 11320.3 27133.73 2598.81 17424.78 24892.44 15692.63 12863.94 25099.77 43721.05 29241.21 9136.35 23499.16 16169.82 10564.14 14802 21510.5 15035.92 22472.54 21111.62 23680.03 18619.02 18768.6 24157.5 9540.36 15204.38 14836.33 41519.1 22766.5 16701.66 17590.2 7537.33 10827.48 49067.62 35791.11 28746.36 28457.38 22455.22 30702.62 38396.14 25954.86 34002.83 7alpha,12alpha-Dihydroxycholest-4-en-3-one 53881.34 41258.2 10890.33 26670.58 92764.45 19512.09 24556.6 53760.64 68573.79 73730.39 20189.71 63184.75 181334.38 75572.46 33765.14 63563.88 13302.94 40758.75 139318.43 40824.76 56477.1 69623.35 73227.29 24229.94 48149.88 28937.41 39550.29 29107.88 93442 88761.63 67858.81 145547.22 35329.07 127178.83 39973.57 70389.77 35517.4 27472.68 34810.36 30841.02 97415.2 230995.28 15010 20619.09 196787.4 132471.19 38654.38 32412.11 65347.65 90744.27 69840.17 37142.81 38311.82 53418.28 94621.5 30102.6 27284.23 18426.41 15125.15 2963.31 26616.29 31012.09 60063.72 30115.33 13304.87 91403.23 46260.48 21907.44 44533.66 83467.97 23688.52 62606.41 30521.22 62606.86 54672.24 74182.74 73450.55 75222.77 75097.27 74654.5 76213.29 75577.88 73296.51 71742.74 Cholesterol 2380.12 3226.45 1793.11 2629.03 2224.07 409.23 1093.24 370.97 1055.24 1375.3 8780.16 1101.61 2761.98 953.83 5510.82 11778.32 2371.67 3438.71 2820.5 6080.81 1556.93 1238.26 689.32 1045.44 2022.75 2511.51 1043.87 438.2 1067.35 2543.09 1864.95 1817.5 1679.71 5026.65 641.56 1420.39 619.89 763.23 3791.86 2706.13 956.8 2119.1 8285 12790.49 624.02 2612.38 3084.74 14799.89 4680.07 4596.89 886.5 3988.06 7729.75 5912.26 1863.19 17002.97 852.26 351.12 597.4 1276.1 1141.08 3452.46 1712.42 3850.01 4714.39 1666.76 21378.68 1477.96 8247.1 2523.88 3365.08 1228.64 2349.11 5800.45 7204.44 21773.09 15527.35 12536.75 32141.51 34849.12 1794.49 30873.78 38513.72 25267.4 25793.81 37054.61 17886.61 5419.64 37925.4 14573.17 28343.76 40876.04 34652.77 30123.86 47429.18 3130.55 3799.07 3601.29 3774.07 3808.2 3608.46 4068.53 3709.68 3574.76 N-Acetyl-L-glutamic acid 8706.82 6754.98 7422.81 14814.5 10104.01 11736.07 10225.27 8416.93 8308.07 5520.29 8230.03 14197.86 19998.38 18115.92 6578.11 9350.82 4831.41 6357.55 8187.88 8537.58 17893.23 4126.09 8549.15 5999.58 10325.76 3437.32 2485.17 3685.97 6146.84 6182.31 8369.18 3710.58 3049.21 8992.24 7917.25 7156.38 9556.89 5123.62 8673.23 4961.81 13170.23 11779.2 5664.02 18904.81 9750.93 11039.1 6652.17 5541.82 13146.55 9665.96 9007.8 10636.97 9081.89 8441.97 10044.85 13910.39 10011.1 5456.03 7298.11 3138.11 6540.78 14052.56 9021.06 5658.08 5636.91 9544.13 10598.27 6768.48 7917.51 15426.95 5095.47 7564.48 6198.52 7886.8 13043.1 9800.17 9604.22 9799.33 9738.76 9614.97 9393.57 9741.36 9821.6 9858.46 7-Methylxanthine 7145.84 6786.26 4509.28 4910.18 9204.04 13546.87 7770.69 12535.75 11004.8 7262.74 1927.06 10065.9 4218.65 7380.17 10403.23 10278.55 8372.93 8315.62 14189.75 12918.83 11126.77 5347.04 6063.52 7096.03 10740.72 12309.37 7552.49 9386.29 11236.77 7477.46 7597.44 14875.75 3457.93 6226.28 8033.45 11844.85 9951.27 9605.26 5186.25 5535.04 11537.03 13641.84 7885.19 6579.34 10454.28 4206.69 11743.68 11983.81 9938.57 14402.28 7726.31 6477.26 7181.67 6892.39 6409.25 7262.33 932.06 1693.73 7880.04 5907.73 6053.01 4817.13 6857.58 6080.34 7327.83 9513.46 10545.14 9817.53 8545.14 9912.67 3950.93 7905.99 6301.94 6537.13 6553.88 9096.06 9016.45 9334.29 9014.84 9089.63 8993.49 9013.53 9014.55 9097.83 2,3-Dihydrobenzofuran 7344.56 46705.54 2367.59 77426.89 39045.48 66911.85 9706.4 7601.5 64828.53 8973.86 8044.35 149246.8 169385.95 21547.28 24657.49 28023.92 6869.13 53247.82 305269.92 8760.65 35662.94 13463.97 2149.56 4052.75 36855.52 18881.72 61074.3 23882.5 25521.86 5433.32 3770.82 24004.92 14369.57 29976.94 53238.86 69512.49 28035.32 95065.26 13409.58 24818.21 21616.39 22752.4 137343.39 76709.46 54436.86 7409.95 10662.26 49387.34 16890.17 35264.56 6350.86 95971.86 4372.48 7754.39 14554.54 82898.64 4507.19 2662.28 13513.15 20586.79 2438.8 2482.14 23049.31 6783.91 9669.39 34314.03 70380.07 8453.34 99681.58 30251.75 78538.26 82828.56 4899.63 6564.07 15459.48 43129.98 44057.7 44128.47 43878.59 41753.65 43966.96 42669.54 44073.83 48460.38 LPC(O-16:0/2:0) 281112.61 196152.91 133704.17 92054.14 136763.58 131769.16 25886.45 2955.87 132098.9 209696 1233.67 119908.57 360428.6 481457.88 61141.26 62418.22 170818.6 66932.28 76978.95 39906.74 62768.6 439245.79 195388.76 83155.82 44207.2 97215.84 264543.86 66704.75 116727.9 68212.62 226407.21 93712.87 119430.76 13059.21 481647.77 124910.12 86312.78 165929.37 442248.98 95433.82 191646.48 1842675.71 525453.94 134986.41 70906.9 91504.55 235641.83 84857.79 47723.12 205282.01 246789.45 168277.89 77506.55 180162.19 386272.38 116646.49 96452.02 142602.89 75007.45 223733.95 314913.21 122051.45 183223.57 213063 248769.85 50091.66 266039.39 157576.06 174089.08 234018.32 137989.26 3937.91 119277.64 80914.44 264101.95 268973.32 31813.53 230280.27 229840.77 174336.97 123984.47 62842.0 203304.49 191579.5 136173.94 16911.02 41990.59 33088.73 91936.72 9414.0 12084.38 43148.48 163590.83 114681.49 117979.19 105771.78 53755.37 105087.04 131671.55 196750.38 198342.79 196851.33 201623.63 196690.78 196462.69 198812.79 197345.57 194478.67 Leu-Glu 815.4 11428.42 5168.67 2448.38 16868.57 3970.54 1045.58 23988.47 32885.76 4184 1644.66 1551.85 618.51 3355.55 28402.12 15327.63 4601.06 15191.45 11275.36 17699.36 4107.79 2468.27 3559.68 6369.53 23370.6 4158.09 11473.95 1852.53 13889.65 5323.37 4913.32 4529.97 26164.68 2235.84 3197.52 12950.2 15524.32 4150.84 3823.65 7511.02 3235.52 2733.55 14455.19 4067.64 8787.78 5279.35 11038.53 5099.07 9125.65 3449.41 16527.44 5088.66 2543.44 8247.02 13556.39 11067.73 8008.91 7821.9 11409.18 12952.99 3096.43 1910.8 12110.2 7424.5 17445.3 8400.76 11683.26 4061.23 3363.12 16277.2 27731.35 4046.49 4278.62 11979.95 3057.7 10461.1 10339.83 10340.3 10365.54 10020.06 10345.72 10048.79 9616.07 10337.45 N6-Acetyl-L-lysine 23988.13 17544.25 19619.09 30828.16 33004.64 18503.47 17650.71 26611.37 28754.04 14476.06 13264.87 16018.63 25800.98 21489.91 23337.52 14569.35 10606.83 16850.11 17387.86 91360.65 35718.49 9368.72 13139.28 14627.73 23910.87 19607.19 17418.16 15966.23 24841.53 7478.28 17634.24 13515.47 16154.13 18935.37 17931.14 20520.45 19225.83 12414.76 13350.35 14466.91 14483.64 14236.85 17468.68 23550.26 16075.89 16852.56 16659.67 12237.29 15077.42 14749.2 13235.79 16559.06 14709.7 21094.84 14083.81 20926.95 15488.14 17123.97 18835.2 13522.3 12377.8 17142.36 15889.52 20436.62 16821.23 17545.96 17204.22 11672.52 12755.57 24060.59 17980.04 11614.03 11463.2 21808.69 16477.52 19727.34 20280.33 19731.36 19988.2 19312.38 20219.27 20936.45 19757.58 20215.45 MG(18:2/0:0/0:0) 26313.4 8242.43 47688.83 37453.69 2820.86 37532.23 3514.64 3340.78 3580.45 6333.07 12476.27 4077.48 24801.64 5471.84 1953.61 23536.42 12685.55 6224.39 9091.33 6727.7 2726.85 908.09 9650.53 1438.89 3859.54 7339.73 7036.47 9072.16 5710.01 23213.49 5640.45 44798.79 5640.69 9755.02 43860.39 9355.88 5771.4 16510.54 7598.39 23251.65 34360.34 38909.41 8815.68 6912.4 9894.73 46471.43 3513.59 7887.97 11667.42 16357.29 15781.63 6783.11 4812.51 16583.1 4991.23 5041.75 11095.1 13157.19 5323.75 5529.94 17785.78 25181.93 7648.02 11416.22 4478.22 39592.73 8541.16 11107.05 5985.01 4690.65 5506.29 7498.82 7758.58 38719.09 33384.49 7671.48 7545.84 6293.87 6884.75 9348.9 7559.22 7993.97 26486.9 14468.38 6802.69 5806.77 10160.51 12343.06 21739.34 6468.6 7303.47 12450.92 7767.34 10712.63 8592.13 6545.09 8187.7 10077.16 9464.88 10924.82 21060.05 16210.38 14374.1 16214.16 14814.43 14310.89 13378.55 14719.25 15367.91 Piperidine 11626.81 12817.52 28037.87 32030.23 24766.22 20230.97 24922.55 31447.62 25298.83 17777.16 17075.29 21341.58 18679.52 21793.3 25506.58 23916.57 16792 11220.5 21953.59 20681.01 20615.35 26655.34 21236.62 28766.97 22937.52 15013.75 24629.09 20777.16 14786.38 12308.36 14939.95 25535.98 10054.48 35825.55 24333.4 14637.02 13303.45 13972.53 15901.78 27900.44 10125.55 4881.58 27077.71 19844.74 15096.62 44356.9 11042.55 25604.29 8819.92 19472.89 28311.35 14963.38 32750.66 27694.55 19878.57 17626.31 23254.42 22049.73 7986.25 18215.21 22673.18 9586.95 13968.92 33092.51 21175.21 24360.76 15494.73 19977.79 8132.74 23093.11 3131.04 17336.51 18531.38 33357.35 21579.87 22206.74 23183.88 22270.06 22011.87 21841.96 22154.25 22276.5 22158.13 22046.53 3-(2-Hydroxyphenyl)propanoic acid 1062.41 4741.86 1779.89 3956.69 16332.88 3812.63 2588.29 3612.21 3555.04 7323.28 1723.8 3107.11 8564.87 2164.85 1533.85 2211.8 1916.76 1961.31 14326.64 1045.9 2582.23 13514.9 2017.18 954.99 731.48 32480.25 8356.7 2732.67 529.11 3058.32 1164.69 626.03 510 1732.06 541.03 491.53 1587.96 7606.69 2286.48 1197.24 555.95 1806.09 633.75 927.83 1142.83 749.53 2858.41 627.07 710.24 1310.14 651.99 4908.22 777.15 1477.21 994 3115.46 1249.39 1405.87 2131.7 11304.91 4739.27 5509.42 1084.42 1153.82 780.62 1169.7 3434.45 1252.53 1243.7 873.29 617.29 3018.37 1478.67 1246.59 732.02 37800.0 38436.04 34548.07 24360.19 62221.1 26187.06 12527.06 24791.22 29641.94 26013.76 24187.64 27961.91 26452.8 27759.91 18578.95 39317.31 24726.15 18502.23 18980.73 71581.18 45405.8 30988.36 42952.46 13640.5 18936.04 1648.31 1637.73 1477 1550.29 1436.11 1578.6 1637.83 1626.58 1417 Pregnanolone 2500.58 1433.26 5015.7 9344.4 66177.25 84064.64 3309.15 23431.05 23779.77 651.71 461.12 5794.86 439.74 880.98 31563.33 2641.54 2126.67 10401.51 386.76 2311.05 47272.32 4174.24 553.01 452.96 8584.25 24751.92 6402.8 6446.38 17030.37 5028.65 54545.61 17420.97 15369.99 11608.5 846.23 21271.98 3767.27 10634.33 370.72 7227.11 51805.95 79546.85 1675.48 862.39 40799.46 11422.1 15076.08 25375.38 2232.95 3178.53 39212.19 70168.88 1402.58 2014.3 17067.57 35538.39 6602.23 5028.21 18882.3 9683.26 587.11 356.36 34500.01 1440.8 444.82 18217.76 10752.87 7717.8 1080.94 3686.07 3619.83 552.01 8306.09 9914.47 1532.3 14705.38 14824.06 15069.89 14762.16 14769.12 14705.44 14860.87 14862.37 14711.4 Kirenol 28175.88 28278.01 8009.26 30430.23 14222.36 32967.2 16617.39 11103.38 10567.53 11159.18 8164.44 13702.89 22221.16 21671.88 19754.63 33768.33 26831.36 23764.75 15363.08 24578.75 14496.2 23106.25 6953.42 8258.91 14975.08 14585.4 10907.41 12320.47 24267.48 9439.87 29979.28 26209.26 5192.26 11724.13 24535.85 24805.22 19760.25 13900.38 51378.31 6828.33 26623.1 20011.88 10194.74 22474.22 13125.08 16110.08 12687.44 16917.02 16607.06 33005.65 14308.89 25120.76 12399.55 15324.92 25758.3 18762.49 16872.26 6742.88 12250.55 7419.15 10571.21 22854.74 12213.88 5669.16 4648.17 13112.62 20813.45 38177.08 35210.1 18379.06 11015.75 15790.09 5714.41 11894.47 36078.62 22394.74 22508.54 22490.74 23422.5 23277.62 22810.36 22486.03 23299.7 22273.54 Theonylleucine 7454.85 25923.47 8147.56 23815.77 59130.36 25324.31 18078.96 48321.09 78423.24 19309.23 6087.86 6997.92 6333.82 4258.64 56823.88 11065.95 6949.16 14820.08 19311.76 19373.71 11020.03 14088.78 5915.14 8499.19 41441.48 57058.67 21570.6 8076.59 29962.45 5136.96 4536.82 7250.04 41616.42 22198.83 17720.79 26927.98 41495.42 6885.14 8340.41 17218.74 5281.49 7722.51 22022.05 6349.94 16503.77 14418.11 13545.53 7780.81 15185.74 4667.48 22116.21 8629.95 11049.09 38240.16 21421.27 29665.82 15216.16 19524.23 35732 22421.37 5195.77 4720.95 20843.25 16215.08 13310.14 23365.26 12080.94 3498.38 6673.14 33264.42 45771.44 9610.22 10530.55 21116.59 5390.46 24299.77 24518.64 24280.94 24281.7 23979.05 24288.74 23141.6 23535.3 22761.84 3-keto Petromyzonol 8340.38 794.39 9273.42 1191.08 617.18 1789.74 2697.87 7458.18 1683.11 4211.2 5971.36 1424.77 375.67 1845.24 1110.91 2387.83 506.05 441.08 35323.61 2423.22 11809.61 774.53 356.04 325.69 662.22 318.75 6361.44 626.6 11579.38 428.03 11431.66 967.92 659.31 10702.77 4080.88 5444.18 5109.27 8215.34 5787.12 3318.33 4414.4 15899.44 4021.45 2203.26 18921.16 3649.17 9005.51 11717.56 16214.09 30644.47 10747.03 9921.45 5945.7 2079.74 10410.67 10426.94 2807.23 3677.4 4681.48 882.84 1395.41 1287.98 12047.07 2731.21 2093.96 14717.57 20806.41 5377.77 1314.79 6479.55 17820.33 11976.79 9006.38 5681.09 1883.87 820.79 2934.32 1761.47 2079.46 3215.03 1341.41 2030.28 1618.41 2195.61 615.2 5135.9 1772.74 1612.58 2951.86 3720.22 2312.78 3440.2 2125.15 2734.81 1359.84 1720.83 5572.35 7251.03 8364.69 7512.65 7559.61 6938.16 6522.6 6946.69 7599.86 Benazepril 164395.14 191020.73 155843.32 173599.22 143709.74 166492.44 41017.67 41087.56 82458.85 97608.71 44537.56 119061.23 55716.06 146324.79 64241.84 89414.94 207719.46 231482.13 103634.12 148488.89 188600.15 134925.13 115425.03 86253.75 94295.47 160606.82 122250.04 113578.73 143048.15 158422.42 201045.95 82811.91 126429 168236.23 126813.09 149916.04 87124.17 253910.06 127375.75 95130.52 48346.02 55552.66 68669.34 97482.79 66260.9 44503.34 92950.04 53215.5 96969.66 33682.63 61910.67 72673.99 47678.87 31052 49844.69 98683.15 51610.89 102827.12 96023 38833.33 64117.73 78317.21 70817.16 65057.31 85197.86 109488.29 172304.28 155815.36 121978.27 80803.48 142930.17 171418.1 66815.05 61839.58 47462.74 124462.04 75304.07 136888.5 135185.92 111295.85 144653.19 119631.19 107437.65 105785.34 113761.29 51414.16 87447.33 86458.35 91874.76 81864.08 54738.27 109099.42 93606.72 96068.17 100998.84 80492.63 112411.16 86975.79 93647.01 82737.71 68656.12 72683.37 72111.51 69902.38 72601.92 59525.6 77103.12 71459.46 67221.35 Hexaethylene glycol 7733.96 8061.27 8385.85 8437.44 11593.16 54631.7 83818.77 11031.87 7040.53 7200.52 6009.61 6278.52 5542.09 7433.27 6839.29 7471.85 7377.27 6754.43 7034.86 8268.25 10533.53 6505.88 5187.23 7513.52 8920.37 7705.6 7682.79 7187.29 7753.51 8357.78 6514.95 689.62 5483.09 7963.71 7759.06 9008.84 7814.41 8000.23 7094.92 7732.19 16947.73 8564.53 7267.5 7482.11 7160.34 8367.27 7386.15 6118.4 7437.63 7569.55 5812.79 6422.26 5848.52 7066.91 7058.29 7114.89 7398.42 6302.5 6650.99 7941.8 7317.6 6408.17 6537.22 7423.3 6152.35 6266.24 7010.93 6712.27 7626.19 7151.5 6821.16 7724.7 6342.3 7768.32 8601.17 7817.0 15457.8 2919.68 7755.02 4357.89 4520.25 4193.43 3606.51 4593.72 3649.69 9134.77 4300.25 4129.12 2476.47 4496.39 5116.47 7939.04 4800.31 4775.9 7874.29 8567.9 3808.58 4293.1 4725.39 4685.17 17332.34 17319.86 17533.05 17634.15 15673.3 17985.8 17319.18 17449.06 17526.96 Palmitoylethanolamide 8025.92 6676.43 10674.12 12470.7 132448.88 467108.97 20989.55 6197.8 8312.05 5722.56 6804.18 20565.67 94342.86 19153.25 8182.14 35400.71 18014.71 20582.55 19644.71 24873.92 21024.41 12538.18 8210.02 28714.9 6566.11 19873.29 6098.23 7560.71 22989.03 20913.25 22776.97 40820.48 12706.66 28472.22 9107.5 12040.31 9113.48 18235.42 6808.44 13921.91 172585.33 40064.45 8462.43 10688.35 16947.59 38304.39 11495.17 13397.13 9220.48 108373.15 33731.68 10897.2 19905.92 59327.05 15050.88 10312.44 26057.13 10815.54 8079.24 30450.85 19125.23 10705.63 9199.48 16383.98 5549.04 25385.95 18201.42 7347.76 8306.86 7594.65 7931.95 8967.67 9003.71 20894.56 43148.55 25267.04 25528.69 25373.88 25528.35 25520.57 25598.1 24960.45 25530.8 24415.68 LPC(18:1/0:0) 8550.89 4726.41 46941.64 13222.84 9630.56 43090.56 1652.78 11831.83 1356.23 4103.96 15293.53 63315.41 33817.85 9728.39 7167.55 20023.75 15652.8 6824.16 3606.07 8037.11 27880.32 10331.76 27558.24 8263.77 6011.97 15007.55 12750.06 20314.95 8935 31694.16 15151.53 99685.87 6578.41 7106.35 11911.55 10620.58 10556.17 11043.47 962.5 6741.44 8707.44 14988.75 4132.23 7454.15 12686.67 27925.23 11204.24 1343.21 10932.54 14643.03 11878.1 13110.25 7506.79 8294.27 10053.52 8493.98 10197.63 10230.06 9984.96 7258.63 8805.4 903.44 8688.7 1626.9 8594.42 14652.77 3240.51 21421.76 5058.78 9245.67 858.86 1020.71 8060.71 1589.58 7440.53 53494.63 24637.46 76492.14 36208.1 91597.03 22856.83 16155.17 19557.65 41610.36 5850.56 4805.34 26606.62 47721.75 38104.04 34402.07 15469.04 23570.15 58481.97 22075.85 6904.97 25464.08 17822.35 45138.67 26078.63 72155.94 6065.67 6771.32 6595.32 4711.38 6998.01 6970.4 4726.78 6580.48 4908.03 Ranitidine 1424 2233.7 1823.66 2409.57 3256.33 3416.49 20653.01 25600.12 16848.17 18241.17 28041.5 38293.04 8387.24 30159.35 5280.83 31628.96 3494.69 6811.56 1771.68 10675.97 11208.76 2040.65 3277.61 3612.25 8490.23 1345.28 4406.49 25670.95 7955.91 27471.43 2604.92 26166.43 2417.08 15217.7 6688.6 37138.92 14281.73 3837.37 24961.42 4940.82 21896.34 42275.44 3755.52 9376.18 11282.37 6077.16 43180.62 21681 29991.68 31500.85 18470.39 12252.47 16432.86 31311.39 13456.74 3577.97 4131.75 824.39 14158.89 4193.5 8841.3 3561.04 7466.93 763.3 2150.44 9905.41 21048.84 22558.31 29994.59 10791.03 4064.8 5165.59 15791.59 3799.6 11362.95 18112.03 10032.86 18023.53 18280.9 17150.71 17060.99 17314.47 17169.45 17008.69 3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol 4058.82 3266.23 661.48 4702.56 6697.89 337161.12 127282.93 5459.18 904.56 4582.69 4111.04 294.39 3488.09 3924.78 4375.55 3606.57 896.61 5302.85 1366.85 5643.32 703.97 2710.37 2382.77 402.4 4357.57 5227.91 6356.23 616.45 6456.63 426.7 4111.88 59763.34 3407.29 4476.61 3533.1 4500.75 3766.31 4546.9 3600.9 4636.03 16560.47 6411.93 4301.61 4050.13 5933.37 6871.56 4168.81 3631.81 3506.95 4577.83 4840.62 3282.6 3991.89 4632.45 4287.38 4706.79 6087.19 3158.52 3868.26 4782.85 3720.09 3368.51 3573.93 6470.47 3406.68 3354.14 3213.36 3147.93 3978.45 4181.22 5382.8 4345.39 2973.4 5858.33 5030.17 4506.39 13496.83 4671.81 4441.18 4445.25 4998.09 4381.27 4691.83 5071.65 4450.3 6134.85 4529.21 4352.09 4530.89 2753.5 5812.18 4673.05 4573.78 4445.4 4542.69 5554.88 4297.22 4137.51 5212.23 4471.38 15001.3 14972.6 14732.93 14955 14909.9 15030.88 14782.91 14826.74 15011.24 Creatine 2856.24 3301.31 3445.62 30132.51 13298.26 2567.13 9777.93 5181.68 2925.39 5495.35 2447.72 14816.32 7950.03 5806.46 2670.73 10361.76 4359.61 956 3169.44 1175.73 5627.42 4819.74 9786.11 2609.17 1504.25 1717.85 2280.57 34960.08 39783.96 14923.46 2543.29 11376.73 1627.46 12605.24 5558.95 1619.6 2404.23 3558.4 1634.05 4856.54 25086.03 2150.96 11379.35 7779.25 7849.68 27064.43 2376.56 3107.93 22337.95 2583.1 779.36 2066.55 9748.02 30310.06 5289.04 3771.09 4001.77 2646.72 4186.55 6421.11 5639.18 7830.19 3906.48 11571.28 559.57 2626.73 3810.51 9601.09 2111.82 2251.86 3498.86 989.05 12434.13 5029.07 33030.89 105191.62 129478.92 105473.9 117503.8 152837.29 132966.72 124427.23 102767.25 111928.86 105957.87 229636.45 87803.85 131446.12 98895.0 154082.14 148003.14 129840.46 102766.0 123655.29 88882.46 88429.81 107992.72 92550.84 161551.37 144248.88 5832.62 5513.94 3754.15 5903.94 5486.38 6100.33 6652.14 3952.26 5977.4 Glycitein 230.64 181.96 4013.1 2553.53 4809.53 2679.31 5407.3 934.96 359.06 2968.08 437.78 535.98 7066.64 203.52 805.9 1841.03 20600.61 4588.47 5408.86 235.92 985.38 1036.05 300.62 237.88 1189.14 954.59 427.25 497.65 20738.92 1081.69 159.05 716.29 3544.67 1411.18 2539.17 1460.63 4464.41 1349.26 221.46 476.83 1750.59 1235.31 1349.98 1417.12 6653.11 70195.78 817.28 1399.27 33325.13 8992.06 1748.22 362.67 1359.03 7172.91 2301.55 1128.76 8902.3 741.54 2021.26 1207.97 559.04 322.71 1034.21 583.52 427.64 8003.21 344.18 49273.55 532.33 228.61 206.59 2951.66 931.15 3427.74 6983.85 4673.09 4703.69 4747.9 4657.87 4567.26 4703.7 4657.16 4656.86 4692.27 Trileucine 3197.27 6255.32 1925.19 2406.62 17291.11 3129.52 2784.5 12645.65 12754.55 7451.94 3046.76 2470.5 5209.96 2651 18383.79 4967.72 2076.55 11258.02 8205.92 13157.18 6524.11 2230.23 2215.13 2319.13 18343.67 19928 6858.22 2502.89 8927.12 2952.61 2010.65 2528.6 8430.28 3104.79 3651.92 6240.22 6744.88 2281.31 2910.25 6403.19 2729.16 3447.35 9092.86 1918.13 6133.75 3157.18 7077.35 1055.21 2170.33 2917.52 5362.86 3934.33 6448.31 9109.47 6178.28 1911.84 2290.16 6196.37 8377.31 2803.02 1552.05 1914.55 11169.9 10871.73 9621.09 9126.78 2171.26 2318.5 1519.39 10230.51 13793.06 1545.83 5498.97 9947.63 2484.39 6083.31 6647.44 6114.79 6281.32 5176.05 6413.42 6277.04 6271.29 6108.7 LPC(14:0/0:0) 52275.53 56773.32 25494.6 63165.27 31003.38 79179.36 24505.08 42119.58 29958.7 13200.62 25812.39 72698.34 55625.33 48982.95 66267.66 48537.01 23540.26 91358.82 7510.07 27833.86 51633.86 2997.56 14317.57 13529.83 43626.82 69714.62 12109.28 52371.52 30968.23 11328.55 19923.55 26017.01 9540.68 25857.11 14220.08 72170.74 46015.15 66766.67 23497.87 44096.99 77920.81 71836.58 44682.99 55074.45 73232.9 56290.49 39698.89 27223.33 15978.27 14685.46 71936.71 54754.32 83089.84 63015.9 78088.5 33304.12 29846.37 26513.92 31344.29 28738.62 20430.23 79599.38 64190.74 35985.1 4523.05 127884.89 51167.98 50657.52 34646.2 31902.92 5419.81 33345.88 31490.3 70834.15 83344.52 17995.32 19046.1 24101.1 17981.34 19630.55 13378.96 15122.03 29121.71 18755.71 11168.68 13778.74 16959.49 12508.87 23978.6 14188.14 11300.08 13974.65 25660.92 16496.21 10213.93 14477.16 11864.72 20566.21 19905.28 62260.38 55104.61 50931.88 52980.81 53026.95 52934.11 54005.3 54014.92 52873.88 54051.89 Trolox 1826.58 6141.55 16122.39 7900.22 3975.67 5926.91 1313.68 2128.58 3566.86 4007.74 4642.13 2773.47 7609.26 7724.49 3791.42 4260.63 5869.96 6324.94 11804.06 5649.57 3980.22 7343.42 6081.08 4900.21 3276.71 4243.44 6781.21 4129.78 4978.05 907.35 4374.84 17054.01 2721.22 4112.58 8081.84 4502.2 2240.06 4863.28 2740.83 12501.6 3937.24 2225.36 7803.45 3894.95 5533.28 5079.53 6706.49 9011.99 9977.71 8071.77 2923.24 12023.43 4061.34 9892.25 3135.71 14595.14 5349.36 9560.29 3269 6363.15 5051.18 5279.71 2603.13 4819.23 8948.13 5398.14 4078.03 2819.56 5001.79 2025.55 3281.68 2709.02 3624.2 11665.27 5709.2 5836.95 7505.97 5432.07 6522.27 5480.31 5657.13 5449.11 5429.46 5337.36 6399.3 5879.32 7840.38 5381.73 5356.49 6290.02 5675.96 5694.1 7169.23 7928.07 3832.66 6758.33 5620.34 6728.71 6784.83 5206.8 6038.67 6409.8 6255.75 5983.16 6346.92 6369.57 6350.36 6355.01 5723.75 Gln-Phe 2498.51 2244.25 977.12 825.28 3174.65 4220.07 5801.77 22338.81 2334.43 2392.96 819.62 3987.67 5651.38 3095.39 41356.45 1459.63 1557.97 2105.89 1525.81 2931 4813.21 5084.88 4024.86 6760.13 11453.45 31277.22 2134.48 4552.24 2218.6 3032.28 12955.81 5790.74 5043.79 3569.34 2664.77 1810.54 3791.56 1335.69 2816.87 1978.66 3404.12 3226.46 2500.09 1564.48 4192.18 2287.51 2030.21 1318.47 2210.07 3069.63 2434.79 1777.31 2514.03 1202.62 14285.86 1621.73 17153.11 1563.61 3408.6 9393.11 1764.16 4631.82 7828.36 1112.6 1944.49 2220.49 2432.2 2501.52 1334.09 2277.53 2861.87 7369.84 1807.23 2677.56 1421.08 2077.7 2000.96 2075.06 1995.1 2103.83 2065.82 2074.46 2053.02 1930.27 O-Acetyl-L-homoserine hydrochloride 18726.41 19036.52 24662.86 9766.73 23580.53 11683.78 8572.81 17460.8 21082.56 20634.3 2418.89 4086.34 5204.57 15317.23 14835.58 13793.85 11578.38 14815.6 11160.41 11327.61 11612.25 5372.77 9163.62 19655.63 22261.84 20216.47 21676.12 23376.94 26277.24 17731.82 11846.67 20944.93 7051.24 25607.38 16686.45 27747.56 21408.04 10189.85 18511.42 22279.32 14008.82 16061.52 20417.8 17753.89 16587.12 15501.15 19374.52 16854.25 13836 11116.6 13301.79 14771.51 14285.66 14691.89 6550.34 17562.39 19096.56 15109.74 15946.57 12562.18 14574.49 16605.64 12703.18 13774.01 19604.43 8663.94 15732.38 24373.17 18343.49 14542.02 18432.5 18215.38 10633.24 14081.31 18705.3 17254.87 17165.82 18533.05 15962.87 17255.44 16880.37 17260.67 17135.65 16851.27 18-Hydroxycorticosterone 5811.62 134.48 512.41 91842.38 267420.86 138836.41 191608.91 6366.16 1369.98 664.58 622.64 5405.26 79977.56 99.02 2845.05 33593.47 10518.09 70.69 111.46 1988.02 3059.66 1331.39 118.27 126.26 4600.39 2615.04 17612.7 2399.82 2304.76 3215.58 213.89 6657.67 257.85 4736.73 2896.44 608.97 2700.5 1931.96 747.47 7357.31 116016.26 44182.02 927.93 1170.69 503.58 106841.03 407.47 619.97 315.73 6192.17 6123.45 2340.51 3176.37 17724.2 69631.89 1089.49 1258.9 841.24 6188.33 31878.68 1048.23 6952.67 8532.96 3998.24 918.56 21905.93 531.11 1535.68 3589.41 1953.61 1218.28 3284.64 337.13 3015.42 26114.44 49704.38 48009.12 47739.2 48233.86 47731.56 48538.29 47661.36 48211.02 47732.98 Galantamine 5732.1 557.15 1759.21 1049.13 1128.97 1872.28 2598.13 831.47 736.27 2659.88 1194.15 1274.85 2023.59 2294.52 1734.7 3532.32 891.13 2761.52 6454.48 2853.45 570.69 2436.8 2271.94 2017.67 2090.47 2139.67 2228.05 2239.28 2079.09 4885.33 2527.27 5497.06 1140.6 1716.85 932.24 4078.34 2017.31 702.89 2040.96 416.84 15517.34 8105.6 1460.85 787.13 1289.23 1168.45 921.1 1808.13 1729.76 4428.54 1764.58 1810.62 1182.78 1095.96 818.31 1562.36 1870.08 1185.52 1174.82 555.27 1717.84 1913.07 884.79 3024.61 1026.8 1313.75 631.92 2842.77 2307.78 727.92 471.49 1388.98 2443.31 2747.73 4082.15 5094.5 4263.83 4744.06 5404.27 3958.14 5093.01 5679.02 4958.08 5017.97 Germacrone 4763.51 1711.47 1768.4 1518.67 1634.5 2404.67 2317.65 3799.69 3067.86 4348.77 1544.17 1833.78 2279.01 2587.78 2265.68 1360.74 2348.34 2480.37 2589.38 3285.01 2641.77 4926.09 4718.37 1113.13 1758.21 5976.93 1821.63 2118 983.97 1784.89 3095.36 2029.62 5252.25 2414.62 3391.15 3195.94 1947.96 2946.06 6063.16 6143.23 1995.64 2635.54 6257.35 1992.52 5589.47 2577.63 2825.12 2191.79 2721.02 9666.87 2765.6 2959.75 3480.74 2956.77 2239.53 2608.12 1936.01 6213.69 5578.46 1745.82 6084.22 2110.28 2255.71 2593.51 2604.87 2544.41 3234.23 2507.27 2533.81 1988.59 2543.78 2156.43 2826.25 2747.58 2586.22 5440.85 5761.24 3872.93 3340.62 4524.69 4006.0 3504.77 5657.22 3785.16 3031.44 2611.69 4007.63 3993.05 4182.69 3737.15 5292.68 4224.73 3730.17 3952.8 3881.59 2939.06 3681.04 3038.5 3658.47 4218.02 3739.58 3782 4227.26 3751.75 4354.26 4407.97 3825.26 4013.79 4226.31 (±)13-HpODE 104579.94 84583.35 83108.27 2526.5 15397.35 17754.41 73456.92 87105.68 55563.88 66298.99 49780.57 76602.19 192382.3 126084.57 90065.56 389530.54 159892.47 58972.13 105521.03 55532.3 14779.43 53019.5 42780.37 101726.94 50000.37 43236.48 55224.69 53002.7 60342.69 36302.19 54231.56 83388.13 30160.02 61287.22 105859.71 77424.67 57865.74 56637.62 42138.14 220567.72 27713.32 69185.82 52253.88 181493.43 52970.33 94857.21 54780.6 74397.22 93866.08 296349.45 74028.79 256552.06 39160.36 63137.23 62310.33 341393.21 145525.82 261822.51 38657.85 102930.74 105807.82 96774.77 57880.4 118639.85 41850.35 110158.32 69524.2 239609.6 129606.99 57165.01 63216.59 51444.49 106173.91 105088.99 139165.59 3469.29 5488.21 3224.46 3633.71 4721.68 4544.49 5334.37 4242.84 5945.69 3737.55 3168.26 3657.95 4934.45 4530.69 2163.62 4798.38 2868.52 4185.98 3816.89 2405.98 3728.78 5799.23 3771.53 4044.45 5301.21 89102.68 89040.59 89796.23 88704.1 86912.25 89036.2 89035.04 89677.38 89690.49 Alanylphenylalanine 3984.6 5162.68 3896.13 5453.54 18936.91 13228.07 2239.13 1279.95 14352.27 6581.63 1906.65 3534.34 11002.23 4415.59 15195.18 10171.76 4212.72 10872.21 7102.02 5792.02 7408.71 4518.57 3442.77 5520.52 10206.32 10049.93 11621.91 6766.52 16794.95 4855.72 2466.21 4421.96 6758.17 11421.16 3906.58 3350.29 6879.18 6761.71 6576 5253.73 6455.95 11666.67 6323.91 3004.06 3730 13726.11 6964.04 4862.43 7738.89 6215.77 10845.6 3080.05 8239.75 11354.22 3347.76 4924.77 7230.87 5785.37 3371.28 5519.4 1581.54 4559.45 10486.18 6388.64 3521.87 18957.98 4671.95 5425.54 2544.52 9404.52 6160.62 5464.67 5020.14 6149.6 3950.34 6701.89 6741.97 6398.19 6466.93 6336.48 6361.55 6660.48 6663.01 6339.08 Pyrimethamine 13019.9 10144.56 3024.32 5871.16 13867.66 11483.69 9196.55 19101.59 17584.49 10337.31 7906.99 6905.52 2056.5 7067.59 14333.47 10645.21 7425.74 13999.01 14614.25 20244.37 14366.76 3337.56 3410.49 1639.16 13345.28 11194.32 8336.04 9276.79 17257.59 8900.81 16601.61 10647.17 9966 2647.54 6482.85 13288.85 15267.36 11929.34 6500.38 7024.25 15506.32 14291.03 8831.18 6983.58 12265.64 8009.68 18524 15060.37 10144.75 16266.32 10159.53 11607.85 5061.12 6056.25 9795.74 9507.92 4377.49 5218.3 14059.87 4279.06 4209.21 5090.99 8617.98 10817 9058.25 11781.13 14806.99 8384.9 11730.52 14195.46 16854.59 11038.12 12730.62 7410.85 8531.32 13815.66 13737.45 13662.6 15582.88 13433.35 12629.02 13732.03 13278.79 12286.65 Nevirapine 28318.28 45984.5 80759.94 84427.37 48940.4 41934.99 79143.93 44405.72 44400.62 59179.72 61428.89 61275.25 71495.17 60893.42 42198.8 91105.55 67578.32 39404.78 105698.76 46048.59 43201.81 37019.18 52852.99 79130.43 36305.12 41579.81 68007.92 79214.67 55772.92 43537.25 38118.93 74760.54 29448.17 76639.61 74009.65 27904.46 42009.78 51311.74 72519.21 73154.82 46416.14 58282.28 89868.06 64507.93 40750.83 84088.12 43040.12 95420.38 60317.84 95361.95 31074.96 40358.62 92786.72 109339.65 29757.81 43119.99 70222.88 58030.82 35043.34 36343.67 58460.22 60444.94 40820.7 90789.88 73323.96 45267.1 47086.85 60313.49 62933.79 38486 43459.4 71192.39 81105.27 84764.01 85664.08 60231.37 59419.28 58512.14 59445.26 58495.49 58680.09 58475.56 59012.92 54477.01 MG(18:1/0:0/0:0) 1335.7 460.28 646.22 416.22 674.03 433.65 2280.47 1344.91 576.58 1214.24 1532.65 1376.22 698.44 670.83 1094 13483.47 700.49 497.09 501.34 4540.4 455.63 11063.45 739.35 1805.89 433.93 1109.01 609.6 942.93 1103.96 535.47 424.12 1684.5 2913.46 3613.35 3614.54 1110.43 2954.07 2353.76 728.1 2274.29 2785.56 6166.73 1153.81 2294.38 2123.53 2262.55 3041.42 2856.49 775.11 6220.1 2429.48 2409.7 2843.04 5114.08 2551.95 1510.76 1336.42 1326.61 1031.7 2295.21 1984.48 2572.06 2295.73 2117.2 1320.69 4275.82 3241.31 1458.63 2114.52 1833.32 1216.21 2952.71 2669.4 3686.6 4041.05 2356.31 2407.03 2443.09 2480.23 2575.99 2444.56 2180.49 2206.54 2284.4 Venlafaxine 13557.72 5692.93 7587.5 8886.44 20721.12 3805.34 6496.33 12188.47 11505.37 12039.65 10732.82 10392.95 12770.38 10018.1 7164.53 11162.02 5098.93 3486.07 11601.73 7835.99 8595.11 4201.4 9712.89 9547.96 11406.13 10237.55 9707.5 13749.63 12870.49 12927.4 9459.78 19225.9 5603.49 8760.59 7464 8886.74 6023.33 2800.53 6339.58 5448.69 11192.2 35624.19 7015.02 8680.64 6453.02 12000.83 9801.83 8317.79 13108.02 15882.25 25775.23 5031.63 8954.32 10975.62 9793.4 3550.41 6497.63 4648.26 6292.09 3780.97 5042.3 5315.11 4644.79 5901.56 4256.65 13133 8295.82 12482.67 6526.32 9183.06 7565.32 12519.1 10739.6 8804.62 9882.2 9757.19 9758.21 9757.39 9659.26 9757.03 9673.07 9251.93 9725.33 9718.12 Silodosin 5556.21 1427.19 1200.2 1645.44 1652 5680.78 1870.13 10577.05 5280.09 3161.83 3128.49 17963.52 2926.38 4520.68 3667.11 5454.9 812.37 12484.49 1809.28 7737.71 5579.01 1131.94 360.66 614.86 5930.91 9059.46 4141.03 3747.98 1665.76 829.27 6215.63 17330.04 10315.1 4506.75 1240.48 9236.54 12497.17 3147.25 1427.31 1974.71 8152.94 3070.8 3822.42 1352.29 9625.72 1955.02 4580.29 4569.93 722.65 6341.59 5450.74 5717.04 2292.31 645.93 1458.68 6316.17 2864.43 1843.49 10937.28 2767.39 2681.85 1236.2 4246.82 4639.08 6604.11 12272.99 7727.26 6092.59 5471.14 2346.41 1671.98 2722.57 931.08 922 745.28 20802.84 14230.24 22216.58 18780.64 20031.94 11984.17 7216.02 23086.62 19337.08 1175.36 2887.91 7677.15 7588.25 20472.95 3943.26 9592.54 7306.29 19898.16 13644.92 5965.99 13724.38 7813.64 10396.48 14504.67 27185.95 6869.68 6286.51 6560.45 5746.36 6581.15 6756.95 6211.48 6612.16 6184.65 13-Docosenamide 124108.44 1117645.24 229848.63 521138.01 253128.13 815551.21 9555.62 11276.16 333060.69 258290.62 6570.96 326897.6 329510.61 235819.35 422498.87 434132.35 361639.54 530459.16 460233.75 463289.25 1824398.49 177997.17 243793.86 99575.39 269361.61 253422.39 159287.8 179074.88 298011.47 265006.09 279264.63 320905.77 251573.43 244567.08 166373.01 382583.72 288978.4 287133.94 244223.28 233210.83 266455.68 781150.08 141673.64 220610.38 379060.93 286352.66 200151.51 418231.57 235985.56 239334.66 386541.59 261925.84 162380.67 506905.19 207646.82 283433.3 254257.69 169688.37 163202.97 215266.84 142782.43 173256.2 256675.95 68329.78 126231.87 147673.15 197535.33 108301.55 131347.26 183578.1 190317.03 102520.43 114330.82 169317.53 204666.4 32236.96 3065.93 22249.69 26401.77 36322.69 39617.44 19514.47 23943.02 14202.16 7072.58 6989.46 15642.66 9854.0 19490.6 526.55 4775.24 25056.15 22398.9 22093.68 20259.34 16593.08 13169.04 19428.97 4804.93 246487.07 246505.68 250481.95 248871.38 250726.41 250474.46 251554.74 246630.56 250657.4 Thr-Trp 912.44 1091.64 1373.82 1460.04 2045.48 6929.81 9196.39 1555.42 1020.47 835.43 913.45 1103.39 1146.1 1272.15 1245.86 1535.52 802.4 721.75 960.09 1871.07 533.77 1421.68 826.95 497.46 713.73 1071.22 1583.97 435.41 998.37 1597.09 924.82 3366.09 465.47 680.69 811.76 681.89 236.26 309.83 402 1250.66 4348.55 1752.24 2162.98 1921.72 1387.86 2189.47 1277.14 1126.05 1685.84 1484.01 1117.22 477.74 1650.61 544.24 298.96 1303.93 1764.1 313.98 619.3 1326.75 1461.15 1132.58 352.59 915.04 1376.84 775.41 1236.34 553.94 1538.88 2796.4 1026.15 1440.37 484.03 1518.05 1028.95 4876.64 3888.34 8916.93 6429.21 11983.33 8064.34 6709.74 4781.42 10047.2 1167.37 2888.38 2875.16 1848.16 3519.02 925.1 2894.69 3512.51 5174.45 5909.74 6109.6 12134.86 4947.29 6449.57 9208.7 9175.19 3286.98 3258.23 3269.04 3257.59 3406.81 3526.69 3242.73 3259.91 3318.07 Trenbolone acetate 5026.59 3621.77 451.19 722.73 7049.27 3635.17 1931.8 5444.85 6653.84 3315.66 1380.9 1643.87 3867.6 2558.32 5267.63 976.83 2408.16 3840.2 7103.71 10674.03 4441.3 458.45 2142.51 1895.82 1164.32 4880.33 4149.59 1635.48 902.59 443.52 1804.15 3797.69 677.5 1082.52 691.93 3193.77 6560.04 3692.53 2184.65 2297.82 11229.52 5559.19 1976.04 1827.96 5716.13 1037.57 7106.91 1101.8 3998.17 5210.27 4236.68 1466.24 3527.61 4203.3 988.71 4795.9 2237.1 851.28 4555.45 2664.05 2014.83 2564.81 2988.94 2788.05 1452.42 6227.54 2495.4 667.83 2228.12 6547.77 4684.71 5055.82 2735.66 1123.08 3619.11 5167.98 5238.88 5146.75 5192.15 4992.7 5236.14 5381.28 5140.58 5189.17 MG(18:0/0:0/0:0) 5184.72 5242.61 4672.62 824.42 5283.81 9978.14 4935.25 2963.74 3971.93 7700.68 4277.8 3411.08 5303.11 4888.12 5602.93 4917.92 5636.21 5244.4 4988.65 4152.97 4964.78 5279.79 3815.39 5178.61 4890.01 5822.59 4559.71 5016.33 4541.1 8900.72 5547.45 5918.45 4610.86 7483.04 5628.59 6117.07 5219.36 8650.67 8126.22 7156.97 9707.1 3812 4505.72 3732.41 3612.06 4308.19 3220.89 4044.15 4252.46 6766.74 4194.99 6061.1 5532.11 4377.93 4758.71 4407.4 5319.43 5047.83 4570.99 6458.13 6754.16 7288.64 5859.34 5225.33 3922.35 5768.33 6286.22 6018.98 5909.53 5319.59 6347.5 6089.87 4501.82 5351.15 7343.38 103353.03 10098.7 11590.63 72687.63 75830.67 66657.05 56076.18 57202.87 59911.94 65071.82 52974.64 21245.77 59439.57 61341.84 59600.8 12511.67 15877.78 62682.93 63756.11 58738.45 60545.56 53542.77 55630.29 48879.3 33455.25 5356.64 5352.27 5472.55 5470.29 5371.77 5455.98 5422.11 5512.49 4854.09 Catharanthine 31091.17 28977.72 35675.75 100247.41 85269.64 113066.12 226651.52 63630.1 31868.66 29340.44 52758.28 26291.9 56128.89 29666.34 27067.84 33374.91 28503.14 32015.38 35969 30967.43 44928.11 26855.75 24269.06 30554.52 28916.1 30772.15 30463.97 29331.76 29950.87 34218.63 33740.61 37939.63 27300.15 39111.68 30766.17 33539.79 30724.5 32337.7 31511.82 32349.5 103176.96 38227.16 30213.05 29418 31490.67 66138.45 29193.21 30290.37 30002.16 31863.91 55076.07 31563.79 28735.66 33891.44 53498.56 29984.71 28223.05 29244.37 30336.23 38551.39 28508.6 34327.89 30990.44 34218.15 27446.57 36194.61 30881.52 29631.03 30419.62 29643.8 29817.8 31375.94 30451.95 30296.53 33342.68 32552.0 60370.55 31979.27 32385.02 32030.92 31611.39 32304.94 31234.35 32450.14 31737.01 30529.83 31137.5 31945.51 32303.7 33146.2 26943.05 35338.86 32561.02 31732.87 32899.55 31818.75 31899.47 32357.05 34391.4 34839.31 43201.81 42886.81 43116.76 43121.01 42889.43 42669.2 42903.56 42883.35 43178.24 Stevioside 748.46 1168.83 549.58 211.16 5114.23 3794.54 1189.24 1467.49 577.68 2719.72 664.66 572.07 365.87 322.22 234.64 314.23 163.87 909.15 504.33 221.39 446.9 6820.65 625.35 606.19 836.78 138.44 512.87 186.41 1152.45 402.61 934.11 642.36 2853.75 146.98 179.64 186.26 688.95 1092.17 338.43 451.24 2577.41 676.42 346.23 642.01 1748.57 1655.65 539.02 295.19 911.16 724.49 2155.57 1114.65 571.68 288.72 321.66 961.11 2572.52 536.38 2424.63 385.09 539.11 1260.01 314.01 523.06 202.87 878.27 446.57 148.36 520.02 157.42 316.23 1160.98 494.37 497.62 327.56 2351.12 2495.81 2428.28 2526.71 2514.73 2515.86 2447.92 2353.63 2398.12 Penciclovir 2852.52 1695.04 7877.01 1184.54 7438.78 3481.15 11392.2 8520.62 11443.17 8343.96 5424.97 836.44 12105.5 9109.96 6546.2 9400.13 1576.26 3228 3087.28 360.14 1117.38 583744.04 3796.58 5951.17 8015.64 5068.44 1770 7365.9 541.26 4724.51 7246.5 8900.4 4640.28 6494.65 7528.51 4083.34 12066.99 5469.38 5186.82 7824.23 33187.96 3200.24 8372.68 6779.25 5645.21 8499.19 1150.7 13726.32 8233.36 8727.17 2033.42 6992.61 7551.15 8299.12 924.09 2581.91 1731.79 3284.68 1298.89 5534.38 5280.25 44559.7 7585.44 7980.9 4319.64 1665.07 8489.9 4734.13 23128.3 463.12 8328.72 1645.08 4638.89 5968.49 549.74 12442.46 14743.7 12122.44 11824.13 12280.87 11779.21 12982.29 11815.72 10553.45 5-Hydroxyindoleacetic acid 1740.36 4305.48 66608.18 23269.05 2403.31 96177.57 11708.95 2841.57 3856.71 2752.92 494.55 418.55 2418.84 1853.68 4402.8 3389.12 6027.38 3222.97 3778.29 5648.21 2853.43 144408.41 1406.11 1812.34 2477.09 3998.4 1624.15 1505.22 4278.34 367.63 3516.71 2572.44 3826.79 5755.53 1480.35 2097.31 1983.61 136034.39 1406.3 1853.36 5112.18 3173.91 2355.96 2234.38 3705.21 4813.65 4852.14 10462.21 4063.92 3151.45 712.43 2911.09 1869.55 2828.93 3177.57 6124.98 33030.47 50307.76 2254.42 143272.26 6046.03 3164.47 3056.81 3630.44 2845.22 1532.68 3780.23 2450.7 1755.22 2241.67 3772.28 3011.6 2065.5 7525 3136.39 6026.79 13209.73 8401.12 6778.57 15303.49 4131.92 5488.39 4743.94 8281.98 24583.35 11745.31 11046.24 11872.72 5399.17 4183.54 11900.6 9651.97 18442.05 8854.88 9127.63 14084.51 17341.67 22337.6 6858.25 7641.88 14177.29 14131.14 14056.4 14101.31 14101.45 14189.08 14115.88 14177.6 13769.85 Praziquantel 364.86 79.18 126.16 6391.71 13156.66 20863.99 19757.97 86.25 169.96 203.12 148.17 246.88 5962.07 369.96 290.54 1226.15 406.09 87.02 190.19 109.05 198.93 174.76 185.69 157.13 242.7 161.36 363.68 68.55 141.4 226.84 78.54 488.57 111.93 973.55 57.94 96.99 83.39 224.79 232.28 245.49 11042.27 2795.54 143.73 83 152.69 10441.56 180.73 193.32 523.27 456.07 1648.84 388.29 109.01 1138.45 2465.03 157.3 97.99 88.57 352.64 636.09 58.92 548.72 244.16 87.57 61.45 670.1 182.22 99.99 96.82 174.28 209.16 290.5 137.29 172.03 1795.6 5510.19 6066.15 4260.23 5471.78 3111.1 6479.69 5720.17 5549.05 6601.65 5497.73 5817.95 4224.96 5974.29 4920.78 5357.8 4899.54 5682.72 7327.09 5354.2 4424.23 5756.85 5584.0 5725.98 6416.75 5416.18 2256.94 2355.79 2318.15 2363.32 2270.82 2296.83 2310.9 2207.3 1820.15 Euscaphic acid 33900.57 36896.66 1066.29 14571.91 26461.22 22034.08 27254 35594.7 49901.88 9110.29 20502.01 38773.62 26473.03 26263.09 78284.51 32819.41 49746.7 33639.92 33622.94 59930.89 34311.86 15676.16 21981.47 26148.43 37160.74 46298.06 32611.7 29406.33 56899.05 3154.26 37580.81 30279.74 52799.35 17848.64 13720 51363.85 38081.04 22317.4 33880.03 32637.55 39720.37 48103.93 33086.7 34638.73 56416.57 15355.65 49704.93 36660.59 6194.69 32983.8 40254.04 44025.61 27442.59 56438.75 48699.95 48656.26 13275.09 6548.88 30846.2 19855.6 21425.01 48438.54 46673.28 16249.32 19008.07 60734.69 57269.72 31635.25 35931.15 46134.34 36262.78 13233.37 20980.93 7778.74 37880.24 36825.89 34878.59 36311.38 36312.7 35522.99 35594.67 35682.13 30776.79 35698.66 Dihydrodaidzein 356.98 1886.68 3028.42 3198.66 1253.4 3786.83 4136.27 746.64 993.68 3127.16 2146.39 3402.31 12470.24 728.46 1300.66 1391.27 7432.57 1877.92 2089.5 355.92 396.08 372.73 1268.98 3606.16 2139.77 401.71 9283.64 1820.41 10177.89 2922.43 2158.08 5054.7 4016.79 4882.93 3098.39 417.21 915.81 1937.18 1610.86 2745.77 789.88 2062.34 1959.48 6106.07 702.16 11979.64 423.5 865.63 6466.96 4110.86 947.89 2283.82 1645.34 3380.8 2427.82 1215.48 7563.04 3553.17 1189.21 2656.2 3249.76 2676.28 1372.27 947.45 400.82 1834.34 1464.71 6126.82 3270.64 565.6 615.78 2501.51 1138.76 2689.78 5766.8 3162.3 3030.68 3001.3 3027.33 2909.32 3169.21 3360.18 3041.3 3061.09 Metoprolol 2163.04 2036.78 1030.08 1413.75 4000.56 1339.32 3027.97 3804.9 3424.6 2153.02 1043.45 2291.87 1247.09 1753.77 2102.37 2626.1 774.21 3779.16 3686.47 6073.46 3006.6 2219.02 1126.52 1225.4 2861.96 1672.52 1357.6 1176.19 3720.98 731.86 4979 2469.27 1965.88 1578.57 1905.57 2690.13 2462.74 1788.06 1665.71 1488.15 6722.19 3614.99 2129.85 888.64 5479.01 3394.58 3857.37 1120.13 1497.15 3283.64 2700.79 2435.48 1396.68 2165.2 1816.74 2299.95 894.12 1223.36 1992.56 1826.95 516.58 1096.61 1655.74 1461.49 1161.46 2352.58 2285.37 1356.53 1014.98 1867.09 2387.52 2249.06 1187.98 1507.89 1462.85 2548.8 2500.19 2598.74 2551.81 2200.9 2577.56 2593.57 2869.86 2553.88 Adenine hydrochloride 9448.34 9377.01 26331.39 11212.14 9301.27 9388.59 6140.7 11403.08 8867.08 4474.57 4572 3337 4742.45 8430.07 15936.82 13734.74 4338.53 14304.32 8246.38 17189.12 7508.23 5865.26 6012.59 8474.24 10040.99 6357.7 2620.98 3355.63 10432.9 3220.95 8211.89 3909.19 4525.73 5173.25 4509.5 8203.71 10338.35 4647.3 4632.23 5575.47 8294.48 3008.48 11616.87 8514.76 8339.91 4504.14 11869.41 11538.97 2990.16 7772.64 4290.43 12213.21 5436.3 4918.34 6609.15 15431.15 16620.56 11784.21 5588.67 1570.79 13966.92 6044.39 10070.76 10219.81 9234.33 6584.24 5262.28 6201.94 8695.35 13833.01 10598.19 9116.16 13509.95 16172.71 10377.88 8915.39 8915.07 8915.17 8814.42 8977.44 8915.82 8942.43 8956.79 8956.54 Boldine 1983.8 1559.57 2834.44 984.51 5997.38 4839.48 3689.08 8154.65 13163.39 3566.69 22712.83 43744.74 25555.75 16132.85 5069.53 6068.69 13869.94 3786.13 3995.24 14354.74 13495.99 1981.3 996.63 13753.34 10043.96 2233.05 9365.77 18114.82 12170.43 28248.14 19587.53 31277.29 1393.2 8854.32 8876.22 10345.87 10333.2 1632.64 10075.61 2343.42 19539.22 7775.29 2858.97 8412.25 14059.42 9402.76 13089.15 16991.46 17973.45 29082.2 13212.08 5272.23 11105.66 5698.36 6518.69 8213.93 1403.95 7462.82 42876.36 2218.33 11048.84 722.82 7449.59 3086.56 4413.32 6311.76 11960.51 8533.95 12864.44 4536.66 4374.38 1538.83 25585.2 7858.59 7660.56 4643.51 3695.89 3509.15 932.96 1906.34 3814.77 5530.53 5299.02 595.97 2394.62 3854.42 4300.29 5214.78 5023.63 861.9 4617.75 1072.31 4414.59 5938.5 1072.58 3989.94 4097.32 3432.49 3574.84 3371.6 10762.69 10713.56 10426.21 10716.81 10078.93 10808.36 10490.2 8581.82 10719.49 5'-Deoxy-5'-(Methylthio) Adenosine 3272.23 4630 2474.9 5148.93 5134.23 23701.5 3221.99 2238.25 959.54 1745.58 2925.09 2432.36 3560.56 3604.71 2701.17 4667.76 2781.48 1695.07 884.38 612.57 2967.96 1696.03 1145.7 1523.04 2000.16 912.77 551.13 682.97 755.49 544.97 1404.49 2018.18 801.66 3843.42 1600.73 1011.74 4096.92 1333.63 1147.13 475.82 3168.01 490.88 1546.82 3303.76 2074.67 721.42 3163.08 1931.23 2668.64 674.84 921.76 1933.25 2758.31 2004.14 4056.65 2438.78 5791.8 2613.67 1871.7 1301.78 3369.81 1089.27 3975.84 1199.52 1770.29 2543.12 1129.23 3830.45 2186.27 3623.43 512.21 2437.48 1963.11 1815.06 3791.98 3450.79 8674.67 6827.73 14329.16 3913.56 8158.37 5293.82 8788.0 4957.52 6754.56 6332.35 9806.02 4579.94 8239.4 4811.84 12108.14 4611.15 4784.86 5210.05 6308.92 7878.13 8653.4 9053.69 5173.66 7384.37 2437.37 2119.48 2312.63 2344.33 1742.47 2182.74 2246.23 2309.75 2150.32 o-Tyrosine 57118.76 35583.06 119303.9 28699.52 85368.32 47282.19 158195.25 110599.02 69734.91 83499.72 83608.17 72023.84 27308.85 84679.1 100839.79 77161.05 65433.07 73854.74 29268.41 87004.09 38618.74 45234.56 93799.78 92360.98 73711.96 49496.47 46730.82 68805.57 71544.33 14861.8 67553.53 69042.1 58303.34 61157.04 64577.99 46692.65 68698.36 46508.07 61860.8 91582.51 10276.91 38683.08 39569.86 32685.99 44204.35 148815.09 86565.67 67875.18 96244.63 91633.52 100018.04 33896.8 109912.39 148294.36 63498.91 25943.53 109705.99 118238.64 50904.89 61281.42 90682.78 58503.16 97214.1 165266.21 112534.37 78141 21492.16 70431.11 14986.49 83792.77 45823.7 38759.32 128716.54 156253.98 97738.63 15568.53 24588.83 19719.31 44074.55 25442.26 27876.6 29390.53 14149.57 15509.42 26306.2 30727.21 22894.82 22721.25 17255.24 44916.53 14738.58 45182.8 47134.97 15067.4 23123.57 21750.87 26543.72 29714.53 29610.29 20125.98 86078.29 89042.5 86075.34 86550.42 83932.45 86043.19 87029.58 87310.1 87114.52 4-Propylphenol 1975.48 1033.11 3429.43 4313.03 1479.05 3165.56 2850.82 2738.24 2437.05 2749.17 4878.45 3013.01 2197.44 3376.3 689.53 2829.96 2211.33 2212.33 2845.78 1202.29 750.47 1203.61 3280.11 1092.21 1628.51 1919.42 1485.48 3502.43 3745.72 803.56 1792.55 1208.5 570.66 3932.66 3507.61 2444.64 2345.44 2564.88 3557.19 2333.5 2323.95 3169.24 3920.22 2924.79 2429.6 3607.76 2272.21 4011.89 2892.49 4391.51 3077.2 2965.08 2093.09 4472.96 1950.75 2820.03 1563.11 1755.68 896.31 1636.85 2945.23 2388.22 3510.63 2392.1 1445.12 1853.3 1655.79 2822.85 2766.54 2118.22 1783.89 2001.04 1533.9 3091.89 3111.35 2587.55 2567.74 2462.61 2477.72 2477.99 2579.85 2570.35 2572.54 2073.46 11-Carbonyl-beta-acetyl-boswellic-acid 1632.99 4118.25 1718.41 1954.63 774.27 1370.52 1964.86 1791.17 1408.21 1393.51 1464.24 451.07 1968.54 1190.31 1447.25 1530.48 1282.93 828.2 929.44 6019.33 1941.93 1522.43 962.79 1512.67 982.93 699.42 2019.24 334.46 1956.94 1508.03 730.65 1255.5 1754.31 9935.21 7126.87 4387.29 597.81 6537.34 3823.6 3483.63 2458.7 2601.16 3770.23 2114.11 1399.06 605.23 2978.77 2418.72 2523.89 2582.66 980.6 2138.69 2672.62 5097.17 1305.94 4489.15 3281.88 6028.87 6698.4 12404.83 1844.52 4167.88 4914.77 7402.33 8045.51 1072.36 2066.18 3039.68 2649.57 1772.44 4150.77 7516.6 1734.38 3210.64 5592.85 3611.18 3959.02 3630.92 3555.65 3445.58 2391.77 3664.98 3290.1 3253.68 Harringtonine 22209.04 22253.99 30197.77 47011.04 24025.4 46964.81 32317.78 16667.9 7020.84 4456.69 39453.46 40014.81 46556.12 61086.57 17831.09 40608.49 42552.64 19866.13 44053.73 20331.75 8551.4 3303.65 35329.55 50504.08 6567.05 18899.96 27575.43 34252.27 2921.48 31475.64 37168.35 130014.79 10580.63 58999.71 52755.26 9554.06 3363.33 27430.57 20360.65 33991.3 25642.89 16236.77 50182.5 43041.46 16418.77 39337.41 18430.01 50031.84 51597.78 156505.67 19606.8 38654.53 29237.89 49393.03 7327.72 32160.66 29676.25 32662.81 6685.24 24767.04 37662.7 10922.12 20329.48 31997.72 24227.11 3397.84 36425.39 19495.35 43257.16 12000.35 20723.56 21157.42 38849.16 54160.97 50691.87 4437.53 6395.98 6394.96 18017.66 4079.95 6016.67 7860.04 3218.21 2404.91 8393.87 4181.85 4501.2 4025.6 3286.77 3368.0 4818.12 7608.34 8281.14 1070.31 5626.34 5884.05 9049.87 5940.92 6379.56 5743.7 23794.95 35420.28 40674.6 26026.01 33314.39 37238.29 36140.29 36875.82 42587.44 Methyl-tyrosine 11049.44 17190.41 7102.85 12259.79 24301.33 30270.69 17683.11 19129.18 1145.55 564.18 10441.25 2571.96 11615.87 2464.9 17605.55 29621.37 10185.17 6202.28 6394.98 11156.33 12586.52 2638.99 13344.78 12528.63 16541.01 18219.21 15041.79 8577.13 13076.95 3570.24 8477.63 12551 3944.08 25116.68 11368.29 13051.18 17322.99 29582.33 17156.85 5246.26 43275.58 24603.25 15390.27 4474.11 11067.21 10584.85 14924.89 14619.68 6988.09 4063.38 15482.72 15685.28 8528.71 15127.39 10812.39 15395.21 6478.26 3776.06 13894.57 13793.48 3663.64 8502.67 21010.18 19105.48 5310.14 19667.61 11526.71 8410.94 5960.13 17868.13 3766.42 14897.57 6325.34 13270.26 10534.1 13794.23 13032.58 13690.1 12165.81 12806 16820.22 12062.5 10155.14 10638.11 L-Leucyl-L-alanine 5672.77 7593.56 5902.61 7321.52 15715.63 15077.38 5817.8 11860.01 17146.69 10627.82 1795.64 6583.52 8258.21 5274.4 24565.87 3833.82 2348.88 8938.87 4417.04 6334.7 2553.59 3175.23 4260.14 2921.82 12192.53 13815.75 11981.13 5240.9 11392.62 2537.97 2460.59 2926.37 24490.15 6103.82 5500.64 10143.56 8788.28 4561.39 5244.94 4487.03 3994.57 8374.17 9875.7 1982.42 6846.03 7122.12 7243.99 2867.47 7360.64 2819.66 13131.7 4088.84 5888.93 11629.4 8632.42 6055.44 5409.22 10890.11 7805.99 11485.38 2596.35 2541.21 8570.06 4993.7 6772.63 8942.79 2518.65 1794.52 4344.37 14608.47 11689.67 2418.76 4606.6 13508.11 4137.7 8287.9 8300.9 8844.24 8591.59 8520.68 8454.61 8153.9 8536.66 8558.5 5-Aminopentanoic acid 2861.05 3448.29 4848.11 5540.51 6166.27 5658.07 6032.01 2740.14 3220.63 2407.91 2554.36 3860.58 8042.42 1857.56 5704.46 3119.97 3507.34 2897.27 6494 2608.46 2956.65 1816.97 3114.65 3281.12 2692.31 3415.95 3789.05 3118.63 3468.8 1623.41 2489.33 2984.12 2754.85 3367.98 3498.43 2548.49 1970.61 1566.93 2418.77 2734.46 5080.3 2649.26 2393.49 2406.52 1527.73 5034.99 3149.86 8979.16 2960.49 3603.19 2155.08 2012.83 2618.11 3780.15 2430.6 2900.22 1277.52 2773.12 2094.37 2565.04 3089.16 2835.31 2067.83 3582.58 2201.8 2849.93 3517.31 3305.56 3200.43 1585.14 2166.52 2131.59 1943.89 3751.04 3407.42 3508.93 3734.17 3502.87 3509.25 3502.93 3523.87 3513.18 3592.82 3505.67 Butylparaben 2867.26 3101.61 2409.97 2040.37 1329.91 3322.09 2851.38 6001.93 837.62 3362.06 3289.58 2677.75 2085.32 4414.49 5934.95 3078.59 3121.76 3060.8 3327.11 2707.32 4464.23 2287.93 2336.43 3169.47 2661.23 3105.03 2551.27 3184.45 2528.24 3060.16 3007.23 2963.98 2753.42 2668.12 3205.18 3458.43 3004.65 2967.74 3066.66 3051.31 1563.77 3270.8 2744.95 4918.04 2972.91 3082.97 2474.35 2111.31 1682.01 2892.92 3875.03 2960.64 2482.32 2914.02 3849.51 2812.27 2894.98 3205.07 3059.22 2504.51 2525.39 2925.76 2875.28 2985.05 4908.13 3344.55 2914.19 2853.58 3145.5 2729.65 2741.01 3179.32 2899.83 2572.86 2379.54 3436.95 4918.98 4846.17 4037.34 5272.8 3479.27 3549.39 3040.93 3577.64 3843.92 3412.8 3645.79 3289.83 4770.76 3238.87 2508.29 3843.66 3140.11 4360.6 4725.24 3341.8 4688.08 3181.53 3295.87 3065.64 3258.33 3248.14 3270.33 3406.87 3473.44 3360.84 3442.22 3303.17 3442.34 Biliverdin 733.16 6506.98 11129.81 1286.25 12954.08 14957.74 6059.22 4561.21 12423.04 6979.37 7208.9 11580.47 4258.12 4787.36 9496.91 13596 11275.37 543.18 8424.3 13419.79 10547.01 10163.69 5686.1 5233.08 482.53 7353.48 5843.41 6097.86 4799.75 6202.1 6849.78 14258.2 10792.39 5058.74 5888.9 2457.53 7943.45 8496.6 3115.64 4476.72 21147.85 10052.75 6078.58 5417.79 5456.93 6461.92 4651.63 7040.62 5686.4 2215.31 6725.41 5743.24 5591.44 5967.07 8455.94 6084.58 6454.12 8088.6 8062.43 31980.52 12407.86 5779.93 13758.9 11569.56 6943.66 4968.2 7801.31 1828.19 6204.43 2905.09 5630.96 6086.22 7201.43 12303.37 13701.37 11680.57 10580.98 10435.82 9595.15 10583.93 10080.61 10268.54 10354.34 10734.37 Leu-Leu-Glu 578.05 3186.1 4222.18 13627.26 1508.3 3942.89 880.04 5346.05 15017.6 7061.91 2486.3 4696.29 564.9 3140 4992.32 2722.93 572.27 4552.49 1120.3 3005.95 703.03 8306.82 2247.8 1128.17 4259.32 15329.22 1286.73 1011.16 4646.33 2741.24 1047.35 1111.45 1191.59 555.65 4970.52 8842.25 4437.82 888.28 1626.97 11530.29 789.5 644.34 8738.1 1508.75 5107.76 1034.79 4549.63 6587.41 4669.94 683.95 2506.39 3355.55 5391.42 16129.64 4215.11 3041 3235.97 7388.9 6008.84 6443.53 624.9 1711.18 8565.51 7189.22 6950.2 4289.95 1547.39 3065.55 4186.87 3065.24 17360.16 966.63 5627.79 11725.15 1006.37 5087.21 5367.21 5005.2 5157.05 5287.6 5162.28 5085.04 4578.14 4920.92 Rivastigmine 21471.9 12010.49 9778.67 11289.41 5373.79 12655.84 2212.08 5215.79 14353.91 18427.79 8252.02 14411.16 2856.72 18585.24 12165.81 9882.02 11742.48 12076.78 11681.1 11793.54 8058.97 11571.07 12566.08 13068.31 16724.68 10490.95 5881.07 11073.78 11067.63 34449.51 4602.67 10291.89 11755.61 9219.63 20149.7 11221.09 16523.19 18419.1 21267.26 19407.61 17036.8 16705.9 15687.67 20038.61 12929.02 6393.21 18739.23 17119.8 11485.38 11470.5 15908.83 16921.74 20158.06 12718.44 12552.64 18760.09 16608.68 16822.68 12691.22 19407.69 12401.88 11520.44 12759.09 18843.95 17516 12284.46 9742.18 12904.55 14597.29 17212.04 11779.96 16011.13 7374.52 3932.45 8280.54 10787.06 10828.44 10819.28 11305.78 11117.16 11044.88 10908.06 10221.03 10930.12 Moxonidine 2075.55 2211.57 796.12 701.66 4369.29 2366.75 3490.99 3738.35 2156.15 1643.13 1519.73 1805.87 2194.97 797.28 2128.21 1370.17 1139.12 2287.91 5935.01 2375.81 2141.68 1870.49 2007.86 1813.55 3648 1952.53 1907.98 1972.28 4115.58 822.51 1573.95 1461.01 1022.41 1157.69 1773.72 1540.42 2937.01 2172.42 1583.9 2244.34 4116.65 3105.48 3008.97 1255.25 802.97 1145.89 2581.64 1937.95 1619.75 4207.29 3015.95 1682.03 1925.3 1364.36 1634.91 1301.13 981.39 846.95 1659.84 486.49 1117.57 1699.28 492.21 1655 1030.65 2934.13 942.36 1717.28 3234.02 2418.41 1713.92 1270.66 1817.95 1481.08 3470.58 2340.76 2079.74 2119.49 2076.11 2149.7 2150.24 2163.92 2163.83 1965.59 prostaglandin A2 1028.15 3581.74 20420.36 13115.21 4248.19 17804.46 2421.33 1588.22 1085.24 4231.83 3835.14 5611.93 3318.69 2584.37 1872.85 37521.52 17815.54 349.42 435.19 1723.55 4505.32 2142.65 3348.36 4112.55 2454.75 2685.53 927.47 1947.56 3009.79 2193.08 1763.93 1688.76 2015.34 2223.23 14863.41 2537.14 2308.99 2036.42 3770.4 8788.54 7507.75 1117.86 5264.84 3583.03 923.71 10001.21 2020.65 2174.3 625.18 11712.69 2883.66 2989.03 3161.64 16365.95 4077.92 5145.02 22000.83 8782.36 1627.68 15466.23 10656.44 9118.21 2912.14 15759.8 2191.49 4108.32 1548.31 1907.01 6169.35 1437.61 3451.51 1122.24 8808.22 7891.23 7797.58 7167.8 6988.07 7286.74 7359.89 7060.4 7799.8 7097.03 6956.4 6726.13 Formestane 7161.64 10864.74 5540.38 4467.26 12676.08 7172.97 6203.68 8254.22 9358.44 6548.58 6107.4 8368.41 8092.58 13034.23 10789.67 10142.88 6716.71 20650.92 1324.84 18431.73 10213.61 862.61 5435.66 7861.67 9094.94 7681.8 6073.68 6617.85 15031.69 5601.32 15539.33 44313.35 4285.49 6411.48 6549.35 11346 6299.15 5254.03 5182.76 6040.53 23307.33 12425.02 8110.08 5338.95 21182.5 4496.85 12163.03 8545.17 7568.73 26529.33 5349.69 15083.69 7449.15 10407.04 7190.45 12717.14 5002.18 3737.65 6998.85 5542.99 4824.91 2667.12 7947.91 7464.11 6386.13 10326.73 18556.32 6665.73 7503.89 7400.09 6855.1 7456.62 6995.75 9481.62 7670.19 9908.44 9962.69 9825.35 9715.54 9916.69 9822.14 9915.37 9913.07 9875.35 Coriolic acid 125638.5 184158.37 270764.75 509673.84 397986.33 552596.71 162959.02 110133.42 112865.82 87966.42 57503.15 92284.94 418638.99 216516.74 205635.01 490210.5 770445.04 198512.55 252305.06 159533.78 221332.18 127758.78 56626.91 110573.46 117652.37 99977.34 122354.16 86631.66 119806.4 66465.1 158932.68 273992.1 44130.33 84606.81 325398.5 124378.95 99532.16 44871.39 46937.05 131175.49 267278.91 109710.77 136828.09 293585.5 120588.42 77327.72 111748.36 149339.61 62041.87 447196.75 64683.07 91272.42 145235.17 272120.41 291354.46 333148.58 595021.76 247242.99 95956.73 209621.73 211238.66 252002.69 210868.86 324330.55 71378.73 235830.8 194271.7 236582.32 358332.88 173327.8 143047.64 152835.02 142646.62 192175.82 378168.59 211733.9 216715.69 209370.4 211023.64 211611.43 211001.32 211764.83 211787.26 209715.14 Hypotaurocyamine 52381.16 27835.71 25202.6 34257.52 129562.76 16092.3 197233.66 169105.65 117868.26 49358.18 10067.16 51280.98 32658.97 21653.48 84161.87 81143.02 24897.14 60622.51 26856.64 155767.67 85323.79 115345.14 49913.24 22224.58 86630.93 97323.53 27523.36 20283.94 194878.37 35314.63 146498.69 15585.34 75405.52 54670.37 15577.48 103275.61 64169.95 77660.94 33228.92 20298.35 2212.73 14172.03 25254.65 11128.29 50557.52 208636.84 75649.09 82762.1 20362.29 43422.21 120592.25 32171.21 27336.2 83152.82 54227.27 24569.77 15280.13 14861.07 53995.16 22139.17 20592.8 46232.1 28910.62 30119.71 7223.8 66516.16 11127.26 30146.45 34643.95 110015.53 61354.9 37003.42 1149.98 39625.52 112391.67 63944.28 65516.73 63996.92 65407.93 65244.07 64043.32 63520.09 63987.53 65467.94 3-Hydroxy-7,12-diketocholanoic acid 319.64 153.52 111.66 7663.75 24586.17 45129.78 22106.64 748.25 189.64 77.82 54.23 485.65 4572.08 437.57 139.44 3685.81 1216.04 378.07 82.77 95.59 121.71 402.7 197.9 318.74 184.27 68.52 199.22 125.85 444.35 212.67 118.53 218.92 104.72 1395.85 223.8 335.57 91.12 1634.42 228.81 160.28 20352.07 1437.83 236.13 137.51 265.97 2617.83 227.22 625.01 148.25 607.13 580.53 90.21 238.92 204.4 198.06 334.67 373.44 67 266.31 2703.42 170.81 999.89 98.02 425.47 72.97 205.93 332.31 162.15 207.01 85.66 145.29 182.01 442.81 110.72 1090.3 5634.84 5906.14 5633.07 5662.79 5646.92 5697.47 5655.31 5631.78 5631.66 Stearoylethanolamide 1326.52 1733.26 3670.34 16537.22 78372.6 141003.44 28146.25 2039.38 3166.8 1093.37 2832.25 7492.3 47189.91 1866.82 4741.06 23134.99 8462.46 3817.77 3521.77 2676.16 3680.05 1962.23 944.56 829.23 3247.18 2996.47 1565.7 2435.91 3351.49 19806.32 6089.69 14825.94 1802.8 15007.73 5465.3 802.69 2769.35 3465.89 2275.5 8392.67 86835.17 15281.46 2367.07 1649.83 2379.67 66053.49 1710.59 2843.85 1424.93 46188.99 7212.29 2141.11 9476.5 36709.89 6447.91 1426.75 4321.35 3598.49 2384.77 33495.59 3433.85 8831.22 2313.7 6198.94 969.7 13935.89 2712.59 1303.85 4389.91 3404.15 2528.49 2427.95 1744.12 15805.42 56988.74 15659.27 15800.91 15666.5 15802.45 15567.62 15817.16 15750.92 15149.84 15088.53 N-Isovaleroylglycine 17244.18 18403.66 13524.34 13986.95 21410.33 27288.29 20983.38 21855.53 24753.26 17001.32 13226.38 14271.83 15460.47 12959.64 18636.76 16966.08 11437.08 18293.96 18694.65 23925.92 18851.8 13827.38 12618.88 15328.96 19507.94 21482.87 15109.99 15767.83 23394.42 8973.68 22312.89 21317.21 13124.04 16774.82 15911.74 20178.47 18026.06 19903.4 14869.31 13756.13 24659.06 26426.99 16170.91 12790.86 21641.91 14436.4 21383.76 16533.35 13717.81 20994.16 14046.27 16961.74 15302.55 17847.33 13240.43 17437.17 10736 9495.44 16494.07 14465.88 10326.89 10553.94 14181.47 15266.27 12544.96 20210.38 22240.24 13947.69 13862.37 18143.4 19558.09 16889.07 15592.66 15542.19 16786.86 17945.07 17893.88 17945.08 17911.66 17948.49 17950.11 17769.52 18394.12 17316.2 Heptethylene glycol 6690.33 4490.14 5002.5 5118.19 8625.92 152455.35 128334.47 9218.07 6065.26 5818.87 5596.77 3683.31 4194.1 4709.79 6620.58 5041.97 4686.73 5111.63 4628.56 5999.12 5324.82 2614.93 366.57 280.4 280.93 5604.04 4929.69 407.61 6769.09 5897.85 4952.56 27121.99 260.33 5169.17 4565.44 6513.77 5234.67 5097.91 4012.68 4753.97 17411.34 5154.69 5920.05 4599.38 5721.35 7051.84 4857.19 4202.17 4586.47 5490.49 4280.98 5127.49 4193.17 5401.15 5559.86 4198.56 5133.89 4015.31 5735.86 5915.24 4354.31 4448.53 4331.38 4922.16 3296.56 5815.8 4130.92 3898.04 5092.06 5250.94 5657.48 5575.35 4239.74 5135.32 6480.57 2383.09 8201.06 3457.7 2415.1 3274.37 3174.99 3769.09 2404.8 4642.32 2326.01 3854.09 3519.51 3181.39 4346.59 3096.76 5217.84 4604.71 3047.9 3314.33 3822.89 4311.85 3351.05 3893.11 3835.49 3025.48 14311.67 14112.43 14114.52 14107.89 15010.76 14311.65 13946.82 14124.09 14116.61 Olanzapine 9110.67 9104.65 10886.07 6802.08 13850.28 12578.77 10369.53 17034.78 5018.9 11139.17 7574.78 11423.59 11518.39 10317.49 7965.97 12073.74 8033.27 9692.52 8630.08 11056.04 7224.04 7131.98 7748.92 13554.5 11590.4 12202.29 13369.91 9521.51 18337.44 7212.15 12251.28 7254.58 8545.1 12527.58 8424.02 15104.98 17851.67 13278.05 10908.1 7721.9 12574.57 23132.5 10050.17 1881.03 12665.13 13997.78 14455.02 14802.2 8390.6 9527.03 8835.06 10963.56 11498.07 7850.9 8234.88 8263.41 6554.4 5164.63 13772.62 8548.87 5788.3 6397.03 3546.83 10138.99 7969 10283.32 11338.91 4841.73 8848.57 15400.28 11605.22 10567.56 13679.3 9270.14 7977.11 11357.22 10302.79 11579.34 11975.11 11604.37 12501.15 11564.19 12042.38 12030.71 D-Nmappd 10284.56 14742.73 15208.41 14760.65 16836.35 6985.53 28473.21 13497.83 13356.18 15012.83 19590.12 32455.46 30403.21 23981.42 13177.14 34101.02 17962.31 9106.56 38391.37 13768.26 14049.15 9085.56 19085.21 24246.74 12798.17 12660.36 21210.47 27887.35 16682.06 21133.9 13961.09 33747.35 6065.58 24090.35 24091.35 11885.95 12216.18 6695.11 21040.26 18389.26 19487.86 19501.41 25636.65 13969.29 13125.68 26784.55 15253.81 28846.01 23151.09 45699.03 12323.58 10949.31 23336.06 30750.4 8160.51 10561.03 14321.7 8383.84 11282.17 9311.29 14482.55 15858.29 8502.78 23905.92 16172.72 12336.53 13963.92 24306.03 23348.52 11144.41 9576.78 20024.11 19209.49 20617.7 32465.79 19633.71 18685.53 18859.26 18651.93 18882.32 18680.85 18681.87 18880.67 18838.4 LPC(O-18:1) 61166.21 54278.62 1060.58 9570.3 104775.47 81946.58 1929.47 4130.96 76342.11 134485.85 2243.43 56133.88 113286.74 217929.06 48739.1 327.66 69634.44 31570.7 38570.04 47473.97 64644.04 117606.16 46105.05 24691.87 640.34 62366.35 79299.37 51051.57 102316.81 1425.48 129303.6 47121.46 51133.23 5778.66 186214.2 31190.2 16886.2 22768.68 35025.42 12982.48 118696.9 574227.63 142781.28 64397.87 12551.51 55286.54 179146.02 119332.06 8276.99 73685.66 170639.23 123965.15 32495.55 91901.86 363051.87 38469.75 13047.5 14796.54 9480.92 119238.2 124372.24 27233.72 73527.77 114403.8 76404.92 22421.48 123932.65 129470.43 42238.91 65054.24 45031.76 7280.75 18476.43 31237.57 134982.8 103700.8 106202.71 99321.21 103906.14 70987.99 99990.54 99783.52 101354.14 107694.09 Cabergoline 71858.22 65158.1 41572.02 80720.91 104919.3 135854.41 114000.9 41438.77 78572.59 52407.63 57621.61 66387.5 85047.55 86726.18 80247.98 86569.76 45779.45 87042.86 168450.29 131909.12 70686.32 47916.94 41892.4 58233.94 71595.58 93575.66 70040.05 49859.72 120503.52 49982.63 104723.85 216409.11 46471.82 93844.53 57225.53 118575.57 50436.38 66734.59 48333.16 77946.08 66547.01 62934.83 72697.65 61890.21 118577.19 149471.42 103922.32 96949.88 68431.06 183000.41 49622.33 68345.33 78271.77 94411.65 31248.95 67516.09 41585.91 43832.95 119231.58 43006.15 42868.08 55249.28 61115.02 64920.72 64831.6 55990.89 98867.14 48687.72 71457.16 46263.73 48223.25 70577.06 67934.41 78393.61 75925.94 6033.65 16237.6 5572.13 5794.77 5995.18 5890.97 5754.24 6250.61 6124.47 5841.51 6842.81 6126.75 6471.02 5619.87 6332.0 8465.35 6313.53 5528.85 5971.63 5809.56 6049.6 5742.68 6213.91 6202.69 6254.43 91867.71 97225.4 91703.98 93484.94 91711 91647.41 93477.9 93681.97 94176.78 Pyridoxal 10893.59 11126.36 13822.46 13437.76 15533.43 10193.14 13070.92 15528.2 21489.65 12990.14 15556.06 16198.22 8994.29 11447.28 12800.26 14322.99 10002.64 18336.74 10505.21 14611.65 18220.06 5297.38 9045.14 11496.58 13764.32 13892.47 11814.29 16499.11 12037.49 16747.77 18683 13689.03 7778.79 21929.22 22034.02 12994.23 16270.36 11147.15 9573.71 24059.92 11945.49 13314.89 16490.59 9691.36 14910.69 14878.67 16318.99 11670.45 9851.73 10267.57 14600.6 12112.14 22469.09 20433.89 13481.13 12608.26 12580.63 16405.85 11500.57 12349.49 8596.16 10411.14 15423.41 27655.3 18497.03 20254.52 19032.87 11049.33 11486.36 13639.04 10881.31 10265.07 16610.84 20856.9 14080.23 14606.93 15054.74 15059.12 15148.34 14975.84 14882.27 14931.93 14933.8 14999.84 1-O-Hexadecyl-sn-glycero-3-phosphocholine 36762.54 40134.01 34243.61 32594.96 41027.81 33866.01 50511.61 69710.32 43422.64 36555.86 42124.39 26659.04 24504.7 41881.96 40994.99 29492.01 37151.1 39151.57 31999.72 40113.52 49441.41 29470.61 24118.37 36845 45419.96 34945.86 33341.5 33548.4 35740.56 35848.06 36955.43 42320.64 25524.32 38892.46 38897 44350.86 40376.73 32963.43 33317.19 32979.71 44602 40475.39 32498.66 29741.42 37624.59 34528.11 38755.96 35581.1 26357.79 29264.62 28086.79 30929.23 29299.19 35239.4 47002.89 33596.35 33354.69 32970.8 34451.47 32085.74 32781.21 34738.28 39070.94 35551.6 32829.08 31908.33 37199.59 37910.43 34809.46 46310.91 37798.95 33619.65 34815.24 22225.07 24254.71 21644.77 42819.74 21137.77 22437.19 22260.34 22548.92 22305.07 22759.06 21272.78 21577.31 22885.23 19511.89 20280.85 21607.7 20942.29 22524.27 21545.1 19895.16 20975.91 20334.74 19784.87 19710.54 20095.5 19273.04 20399.64 36074.73 38065.63 37682.67 37693.9 38035.79 38357.2 39906.07 37678.29 38402.24 Berbamine 22538.27 30419.72 16442.48 5578.17 23152.3 31948.88 32917.45 27850.6 26508.1 21781.03 16854.17 8107.41 9434.86 3309.19 2318.15 29117.37 21340.57 30806.42 2793.84 46615.54 30069.9 11240 33538.31 23829.5 25752.73 31442.26 17158.3 3371.44 4326.03 5477.93 27596.96 19949.01 20218.16 23726.88 25436.28 17028.53 28758.6 36036.15 22288.67 20202.92 45738.8 34080.26 20832.4 17274.91 35436.05 15414.6 10643.48 4889.47 10349.19 12434.69 35643.33 36975.62 17091.23 28097.33 14179.11 53928.66 48052.41 54836.8 21711.63 19081.52 21117.68 23921.36 66358.04 15720.46 13887.62 31016.86 32970.31 5059.51 11802.72 21908.49 28642.39 22558.46 9921.62 30082.06 27404.65 28878.52 29506.97 29766.84 29741.8 32412.62 28937.63 28525.84 29407.55 28847.75 Misoprostol 15706.71 38013.29 72500.11 34628.25 158891.21 111343.76 117547.28 103238.71 25769.84 19158.69 17802.7 101303.52 96231.66 44887.2 41968.42 72781.82 68799.61 99371.38 154273.9 32556.47 77907.19 56822.23 93177.06 39398.07 62937 25194.55 12527.51 13680.16 169169.26 38637.07 14345.99 65605.1 129572.92 106108.82 46261.03 172565.64 65032.3 40316.51 34646.05 18922.59 38099.5 34208.82 73103.42 9974.88 91914.99 41459.38 56801.1 163902.6 95729.53 67270.65 125967.65 192471.04 305895.82 96655.12 130488.27 44491.22 113338.9 10834.53 129132 19159.52 133047.57 98544.56 85392.71 194347.94 87052.72 63428.85 16989.23 16814.75 23539.31 137343.61 27353.55 15176.14 64148.77 32183.26 44505.81 813.79 521.34 766.72 945.6 1102.26 1143.45 675.95 1752.23 1627.13 589.31 1574.74 1530.64 673.6 660.21 1272.61 1047.83 1705.4 1843.42 782.16 1688.8 1483.98 935.6 78496.01 77875.52 79129.22 76867.39 78013.83 78007.59 78503.41 78494.99 78402.08 FFA(18:1) 65688.71 112109.35 143091.71 144631.88 111363.95 93628.66 91933.73 70402.74 71719.52 53631.6 22511.04 77439.13 115205.65 124034.47 122474.41 143511.06 162123.64 112268.62 130795.98 172667.61 113671.1 105562.23 68848.72 132627.22 70299.42 58857.71 24355.6 21476.42 91319.46 71882.85 100269.27 135841.75 50926.28 78930 77492.12 59579.98 96329.11 69349.87 51367.43 87024.79 99474.95 127494.24 127821 106280.88 156310.1 137362.04 124796.27 109396.85 68858.26 114374.38 39645.89 100349.64 90649.11 117101.72 118657.95 128268.85 197433.75 154286.55 62957.57 128546.05 179684.79 67638 150157.05 88079.4 75165.45 153174.53 121484.28 77664.53 118784.82 77166.21 40779.15 79453.97 75760.11 125308.56 127753.92 1842419.1 4038288.01 2933885.24 1930589.62 1994269.87 1678632.67 1626308.7 7875700.13 5278463.65 1858398.49 1582076.52 2555338.8 3696464.41 6511487.13 1276092.35 4021899.52 1945142.47 2231872.97 2506849.33 1634652.51 2382698.54 2464270.25 2887091.25 2748616.8 3610335.98 124404.72 124797.46 126661.58 126290.09 124711.94 125824.42 125876.11 124746.68 126273.77 Carnosol 10236.01 11259.8 7200.76 7596.62 8637.21 8071.31 8238.44 14589.25 10933.09 6954.35 6517.78 7516.11 7356.31 5910 13674.35 10757.89 2382.17 9054.71 10080.69 9622.55 16679.97 7106.69 5231.47 2627.84 14184.29 6444.11 6153.76 7058.04 10600.94 10699.36 8579.14 7680.4 5558.07 7056.85 8089.74 10231.95 10109.97 6910.55 6194.75 8109.51 9369.56 9965.07 9583.41 10260.26 9707.55 5888.07 11224.61 8068.68 1214.71 6752.02 3622.97 5092.49 7430.84 8107.03 10793.76 9324.83 6425.15 6455.88 12390.52 7214.43 6257.74 5914.24 8798.41 9536.71 8937.62 10357.37 7024.7 8789.44 9411.43 14213.01 7102.66 10546.32 5915.45 4737.14 7894.44 1265.75 1834.05 1750.77 1780.76 1655.8 1757.76 1588.58 1356.73 2581.0 1837.41 1206.93 1065.65 2026.19 1030.34 1502.68 922.86 1664.63 1300.07 2682.77 983.52 2288.24 1487.52 1917.54 2496.69 1421.2 9150.88 9203.06 9205.47 9154.26 9267.22 9263.57 9196.74 9055.48 9353.88 Alfuzosin 2075.61 2992.43 1928.02 763.34 3606.68 5281.73 5186.04 1910.96 2426.47 998.84 1651.97 965.23 3118.53 1544.56 3527.23 1665.81 2076.31 4304.12 2379.57 9725.54 2267.45 1761.69 1181.67 2565.12 1228.68 2699.54 1138.46 415.38 3160.28 2142.13 6598.73 4792.6 4614.82 2934.41 1208.66 3890.49 1248.6 5191.72 1094.39 780.18 3702.21 3107 3831.06 2092.66 1341.22 877.39 5649.72 4768.05 2402.22 9721.2 2170.45 4951.44 2127.65 869.79 2164.55 2101.8 2245.97 486.68 1204.42 4191.33 1021.52 1314.3 4054.27 1725.19 2153.65 1824.77 3040.17 726.06 1247.79 1122.66 3743.2 3126.64 1498.06 5555.35 778.04 3067.71 4926.41 3529.72 3033.53 3866.89 2384.5 2717.88 3302.19 3603.14 3632.14 3069.85 2734.84 3697.65 3283.9 3444.0 2321.37 2916.44 3477.09 3932.05 3554.7 2882.25 2685.01 2931.72 3221.98 3579.84 4504.83 3842.25 4027.22 3719.97 4014.2 3768.87 2528.92 3992.18 4029.83 Sepiapterin 6476.47 7536.33 4472.39 4618.17 11493.81 12699.67 9659.71 8546.95 11412.43 7152.01 5572.38 8839.26 8126.3 6717.94 10216.33 8334.98 5240.64 17963.28 12231.05 25991.77 9761.51 13360.85 5620.21 4819.77 7525.43 9233.11 3881.74 4720.15 13649.27 5652.37 23298.12 13174.72 5548.38 5393.26 4109.85 12481.89 8689.27 11051.16 4617.09 4387.22 23962.76 12767.21 5616.2 5266.68 21518.04 9742.41 16071.36 8425.27 6921.87 10233.09 8425.76 8918.69 4930.28 6979.22 6796.72 8802.57 3316.39 2984.49 7541.26 7113.23 1000.7 4484.28 7568.7 5771.21 4764.42 10306.39 11165 5208.15 4616.17 7381.11 8686.63 7086.58 4421.43 5840.54 6031.99 9623.42 9441.91 9444.27 10087.54 9633.2 9439.78 9553.53 9443.46 8969.19 Microcystin-LR 2981.58 4525.64 3202.08 3643.31 2138.72 4475.76 2532.54 2942.59 3444.56 3015.44 1003.85 5405.55 3445.05 4925.23 892.53 1680.08 2003.19 5205.68 1502.43 1559.05 4227.16 1737.16 1684.11 2548.39 4146.03 849.03 1637.33 1741.74 13682.95 8994.14 2556.79 3463.12 1325.15 3682.55 2820.81 17244.99 4947.76 4325.96 1378.84 2112.39 8497.66 8549.51 2927.76 2196.3 5547.65 1848.54 25835.85 7279.7 7600.71 16093.15 4468.32 4632.59 3180.72 3752.36 3129.48 3817.94 1735.93 1180.52 4652.16 3873.65 1742.89 1729.36 3791.83 3124.89 1957.64 4975.28 7910.88 2397.96 2706.49 4881.97 5511.07 3310.46 2808 3603.4 3300.41 5136.64 5725.38 5619.96 5612.2 5543.19 5767.79 5688.34 5598.05 5601.75 LPC(O-18:0/0:0) 19719.04 15520.13 12150.95 15198.33 23287.12 386.42 16574.74 24006.81 13065.92 10040.08 12118.8 10763.49 19148.37 19797.72 14808.58 16316.25 12745.82 19366.29 15773.14 17711.55 18338.18 18850.6 7367.93 10983.49 12008.6 13266.1 13246.96 10568.8 14855.48 11854.06 17582.72 18856.3 7812.34 14124.56 13713.7 14060.34 11792.32 9302.63 9183.55 11192.31 13691.04 12800.73 2570.12 11865.65 15256.62 20146.39 20455.65 14833.17 11148.79 4623.05 1987.86 4003.53 12345.73 14051.71 37495.47 12707.93 11710.2 11710.14 10412.96 12773.94 13525.46 9908.45 14448.58 11583.72 12099.22 13942.75 17939.25 13738.16 14653.99 14393.15 12119.99 13193.18 12304.55 14139.6 14709.86 17816.78 18206.7 18071.07 18234.31 17920.54 18208.35 17855.63 17852.76 17868.95 Trigonelline 17642.79 15367.31 22116.98 25990.94 16872.63 9701.18 34164.16 23418.91 18395.46 12235.81 6571.59 19479.85 12611.27 13377.18 23995.48 19692.15 12296.78 26023.33 5484.6 14400.61 22230.51 9384.34 13948.87 14188.78 17913.99 1631.1 680.88 908.53 19343.89 12127.03 22201.06 12020.5 11697.56 15446.5 9181.54 14473.14 23854.54 8930.45 13707.78 19210.28 9545.48 742.03 13178.86 5501.32 11284.62 24787 21170.71 17038.01 1082.14 2828.51 15506.64 19626.19 13134.82 17048.62 20059.39 17618.59 24566.37 24333.07 15313.01 9575.71 9245.7 23558.33 20383.18 15978.29 9743.37 32002.51 2638.95 6604.99 16100.63 23675.82 15384.61 7917.45 23106.13 19789.26 31537.17 5419.76 5713.83 6198.69 5456.75 5927.15 3629.05 6944.47 5976.09 3731.94 5515.78 7326.1 7496.49 6341.09 4968.11 4594.86 6447.44 4943.66 5071.15 6965.01 1007.56 7107.6 5772.85 5553.58 5764.33 6066.91 16364.79 16088.61 16294.91 16240.82 15992.18 16041.23 16033.34 17705.72 16355.22 Inosine 40442.83 38136.95 50413.78 70600.5 24021.35 30568.07 71988.14 31549.9 18950.34 17451.97 21596.88 27768.6 26581.4 32133.1 41820 34635.5 24162.23 51717.81 8055.95 829.92 26305.19 3307.91 29920.5 29260 31180.47 21547.13 17380.79 8034.51 19302.34 21143.87 35876.2 3175.34 21754.57 53901.46 21565.34 19841.99 37011.15 14406.53 42796.67 45975.27 19793.15 4411.3 32028.57 22578.74 14752.35 56330.53 41755.39 37548.4 4970.02 12962.59 15499.91 51604.35 30091.3 33110.82 39551.26 34126.06 46809.03 37206.75 27018.08 42173.07 23458.35 112509.49 39316.83 55092.96 8190.66 50579.45 10640.06 20685.04 30261.4 44649.59 30584.26 26425.74 43087.76 54095.07 80186.22 8604.82 3000.2 5391.72 5544.2 4052.68 4654.88 8898.5 5442.4 7211.41 6503.44 12646.33 7573.3 6831.06 4371.91 9419.28 4392.88 4277.13 4001.19 10518.43 9058.14 5862.08 9841.16 6605.87 10786.1 7358.82 37031.95 37353.79 37170.84 37593.33 37027.72 37264.75 37354.56 36580.3 37342.72 Nizatidine 59862.64 46749.96 18998.11 20990.78 50341.26 42304.07 34770.53 79706.34 82261.09 50258.59 28950.36 41190.89 27231.17 35064.96 56558.55 46122.87 30986.2 52516.81 48288.22 68275.41 57203.7 25983.2 20671.73 35407.08 64772.94 54131.54 39611.87 52342.07 65250.07 56352.52 70369.84 51101.1 39713.79 30623.87 29144.51 61611.19 60586.02 41850.06 35883.72 44535.14 72159.66 76369.08 30100.48 30274.54 54271.89 35801.29 69358.68 46201.78 54280.41 58638.86 53085.95 41080.52 32172.12 34705.77 51880.08 38561.68 17336.03 18279.11 55060.92 27635 23620.49 22538.47 44149.16 31865.66 41412.14 54153.63 58563.64 45046.71 52978.52 63852.64 66049.38 44976.13 55203.15 33831.12 36581.53 51747.51 51668.93 51666.48 51267.93 51279.63 51138.31 51673.22 51102.57 51669.38 Asparagine 4365.19 3551.27 448.62 4799.23 9087.56 5057.29 4971.48 2751.2 7861.88 4341.91 1408.96 2993.47 4643.88 963.04 9245 6454.83 4853.15 3444.81 5902.37 9935.42 2780.18 5455.98 3867.73 6061.53 7211.42 1463.86 1776.05 3530.19 6438.04 720.91 3094.86 3576.93 5758.94 6720.78 6121.23 5581.98 7048.3 4919.08 3690.55 5765.75 3383.85 3876.84 6701.93 5623.99 3631.72 4758.73 5964.38 5880.82 2501.23 6262.02 4406.73 5304.23 3380.38 3865.91 4073.82 4795.27 835.04 2718.08 2790.42 2788.7 1494.05 3746.26 3618.01 7063.45 3775.6 4952.59 8156.55 3022.05 4919.38 7280 6301.38 1375.99 3555.97 7027.57 4000.3 1537.66 2461.96 4344.38 2884.59 787.01 4148.08 5754.17 1168.93 2491.95 4393.41 10341.61 2783.26 3280.61 10180.58 2409.96 7267.95 7128.58 3573.28 4546.31 6999.78 5039.15 11204.56 3596.79 5299.28 5193.55 5417.39 5382.37 5095.05 4941.94 5092.24 5671.15 5195.9 Desoxycortone 19252.35 34893.48 135531.78 115451.8 189671.61 127035.22 32301.33 15414.17 13926.99 15392.24 22525.99 30584.03 40425.05 23037.96 70789.83 168489.44 184284.66 36996.9 19038.17 22252.48 49099.07 14417.67 11338.59 66133.32 22984.87 19730.06 65198.92 20015.7 22606.76 12547.82 23750.09 21469.52 10851.31 20471.8 79217.12 18113.71 43823.56 25214.97 12685.53 70951.6 34942.84 16665.08 48212.03 31758.29 17522.91 6591.66 17500.39 16745.6 5721.77 66254.29 9273.76 22144.68 23551.5 100923.84 48445.45 66908.43 187968.39 93002.16 32731.28 142651.67 89081.83 50517.44 47597.8 109837.32 42929.83 60447.61 21442.1 22535.39 56347.05 30593.93 29700.02 21796.78 61520.57 54032.71 45945.56 44926.67 45950.79 44971.26 45464.85 45335.04 44960.46 44939.36 45550.82 44377.1 7-Methoxycoumarin 10243.96 18885.15 25785.9 8824.47 10125.62 7284.74 9457.19 9488.99 8271.92 17240.94 20112.74 5455.36 1364.58 10590.63 23139.56 25405.87 43593.31 13586.72 7364.32 2425.76 21239.8 9116.5 4491.06 6695.22 14037.66 15564.74 11740.97 7417.34 12781.18 3160.38 12445.31 4477.44 18526.81 13620.1 9212.51 7402.01 13904.52 17767.19 6507.35 15777.61 19642.21 12164.73 13580.89 22071.94 8974.83 10238.71 19206.54 5489.22 5972.99 19220.87 17924.46 23044.71 16516.7 9739.59 9712.95 36093.55 32740.96 9974.46 24459.09 10260.8 14448.01 5794.08 20823.28 14468.36 17658.41 12247.81 15022.49 14927.91 22755.48 12363.1 12132.95 15550.45 13425.85 17000.03 11306.62 13393.73 13469.7 13394.72 13740.55 13478.9 13382.68 13480.15 13394.65 13428.93 3-Methoxytyramine 3612.65 4339 6883.53 7234.27 6199.64 3195.16 10146.89 6870.41 6374.84 4529.93 4874.16 5571 6329.5 4541.06 7378.23 5258.83 10704.73 4635.76 5755.43 16603.45 5941.99 3693.72 4527.37 5729.11 6159.31 4068.18 4606.75 5332.45 4861.72 1700.76 3790.39 24030.75 3027.1 6452.17 6508.53 4125.34 5592.41 4268.01 5958.76 6488.61 6727.15 4872.8 6692.56 4023 8555.3 10426.25 11505.75 4284.71 5757.96 17645.98 8647.42 6205.15 6796.54 11310.22 5927.69 4505.54 5855.45 6026.54 3708.45 6853.86 11529.71 8786 6329.31 9914.78 4521.17 6427.26 3210.74 3981.82 15660.84 6155.72 5328.48 4160.82 6811.66 8262.57 8508.01 1813.4 1032.65 2449.71 5202.66 2958.9 1973.49 3275.0 818.37 1016.12 2576.17 2088.64 902.24 1941.14 1049.76 2791.07 907.39 3628.29 3550.33 1137.24 2646.81 2644.65 2632.39 2705.15 2662.63 1659.64 6445.04 6330.75 6333.01 6287.67 6331.1 6004.22 6424.28 6147.2 6228.92 Bis(2-ethylhexyl) adipate 7913.61 10899.71 3374.33 3762.3 5086.04 11371.69 4352.62 7287.08 11476.81 5534.28 5123.24 12146.21 822.63 4641.55 19225.85 725.99 4826.44 15422.02 531.43 33110.17 9261.9 11074.17 3672.71 4590.99 8930.79 10808.01 6044.02 724.49 11858.34 5334.68 11243.87 9118.66 10744.59 3732.75 12892.64 10148.52 11311.52 9823.24 9496.06 5919.33 8618.63 14141.71 4904.98 3022.13 10244.78 1886.19 15173.31 11456.94 2169.25 11871.32 6580.54 8840.27 4482.3 5174.04 7167.29 13363.14 3226.94 8814.52 8270.39 8509.97 4585.89 2581.34 9598.31 5832.14 6773.19 10705.47 14694.85 3001.45 5734.09 14256.27 16733.67 9540.32 4428.6 5581.91 5758.5 41886.75 36402.08 34443.08 30314.57 31078.2 33371.42 42891.9 34777.45 32908.09 33904.95 63357.16 37670.02 35809.21 32850.58 30867.11 31101.24 32409.84 34214.92 58241.79 57310.23 36328.36 37228.57 53199.04 40809.38 42199.18 7736.8 7836.54 7974.97 7677.51 7662.33 7661.58 7851.16 7865.88 7409 Kynurenic acid 193.19 696.07 5954.85 4507.06 208.83 40960.39 2175.43 568.98 2450.34 2583.1 2082.73 113.9 923.91 49.06 1510.21 76.32 1051.58 89.66 213.7 767.77 587.96 28193.3 60.84 280.3 327.3 333.56 183.1 190.62 390.02 81.35 104.7 945.32 1128 3039.37 381.22 225.82 94.05 33583.22 401.88 374.29 817.52 200.71 341.18 582.9 490.6 207.76 209.23 996.2 157.81 164.33 2093.04 901.69 304.69 299.65 794.52 185.3 12003.69 12091.79 289.67 27918.36 1018.25 995.4 537.67 860.42 573.16 141.82 448.58 348.86 243.98 65.25 1196.36 274.48 679.89 3060.97 296.87 6575.06 6544.64 6489.91 6534.81 6545.16 6544.74 6544.73 6508.45 6482.28 Theophylline 90379.91 95073.64 85686.88 96442.72 77093.16 73524.57 94022.29 88339.6 89477.49 96143.36 78850.3 71765.71 76952.26 102256.81 87666.62 86386.6 104719.95 72433.46 91226.79 78148.87 79961.16 55553.29 78655.42 96465.08 84677.67 84718.24 97397.22 88455.9 82653.2 106878.27 70087.51 89255.61 73295.38 95090.76 101115.94 93929.98 88428.68 74190.02 101993.93 106439.47 94444.52 76215.84 96117.2 106579.84 63680.19 92143.95 81138.5 93615.2 89009.29 81022.23 81721.55 89381.24 91547.4 92772.26 92200.85 88054.6 95403.4 102527.07 89303.91 79613.55 100235.8 52101.77 94486.66 93921.93 75335.34 83266.99 84568.87 98614.28 100240.46 85965.79 84220.84 94239.36 93398.63 95834.9 95674.2 44645.08 38616.04 44714.54 43606.72 45078.28 42409.74 43437.73 43723.44 44387.03 43267.65 38265.52 43371.99 46225.97 44409.31 42933.75 37343.39 45297.28 45467.39 44764.45 44358.96 45349.93 42450.3 45426.21 47342.44 42423.17 89592.89 87929.51 88032.53 88055.11 87680.19 87689.33 87693.69 87858.96 87693.27 O-benzyl-L-serine 50200.38 54713.92 24405.8 26873.45 58915.08 45659.42 53641.91 66541.79 65263.53 36310.2 49752.54 46724.08 32896.6 36471.11 59419.35 57411.7 34152.16 62230.43 60506.09 93780.81 59345.53 21701.75 23725.12 36558.89 54462.71 68459.13 51591.75 48432.7 74199.55 24377.04 74820.58 75344.49 43935.95 51065.61 46996.8 56172.24 57429.75 36468.09 41661.96 43161.64 78919.39 76406.68 45361.93 25724.67 80135.95 36333.45 50594.01 49182 36126.8 52200.48 48052.26 45859.44 48278.54 42804.13 35619.64 49222.27 23566.12 20840.9 41338.5 15603.98 23567.7 22860.36 37712.64 32845.32 29801.91 58187.67 62843.89 38288.64 34351.22 59848.58 57714.82 48247.52 42608.52 35659.4 39157.7 2050.42 3457.5 2138.77 2192.0 2017.24 2102.64 1960.31 1865.16 2154.51 1803.94 1709.05 1832.1 1770.05 1977.07 2227.97 1933.95 2102.66 2152.27 1624.72 1835.58 1689.66 1874.88 1990.78 1912.69 2144.36 46464.39 46351.27 47267.05 46290.36 46478 46170.66 45905.02 44030.44 46224.85 Eplerenone 8274.6 8713.42 7858.54 12534.52 3218.04 4855.9 5216.09 7401.4 10624.13 12366.29 9142.85 7399.68 6422.98 11326.45 8668.27 8652.18 12302.15 7844.24 14118.18 3036.36 15413.56 10680.03 7014.62 8689.44 8426.85 7862.03 855.46 9437.92 906.86 9038.4 7407.81 7445 8286 12011.61 9427.22 4876.9 13024.67 10915.7 7184.38 12443.48 5864.33 10965.95 8703.67 11399.19 7242.35 10976.84 8174.72 8204.16 12546.66 5531.18 19704.17 11595.46 7978.01 7790.47 12531.98 9772.6 6974.53 11248.92 3974.33 4869.52 7616.39 12231.4 6822.19 11871.98 9638.95 2222.34 12869.72 10379.34 13828.44 9727.42 8887.39 9575.3 11394.66 15234.03 9986.61 17514.41 26383.95 14977.5 6502.92 20904.63 8784.62 31121.48 23234.59 11161.23 13018.02 17736.08 28846.14 16409.94 29432.02 21951.92 17151.43 14318.65 26690.27 16291.08 22861.05 14922.16 11627.77 5232.28 12642.83 10865.85 9804.84 9648.04 9743.86 10160.56 10039.9 10510.69 10276.65 9794.17 10131.4 N-Acetylserotonin 2494.2 1663.22 1961.94 1962.76 5788.04 12497.47 1448.05 6781.3 4509.05 934.98 1458.98 2104.3 3715.32 1193.53 3296.61 2134.55 1151.55 2485.35 1147.47 2846.11 3947.85 1774.72 996.1 1838.04 4810.07 3105.25 1345.08 2052.79 3604.01 1242.46 1133.18 4815.8 1644.8 1385.31 731.73 2372.12 4454.34 1709.1 1859.04 1953.3 851.94 3087.07 1419.07 843.29 1239.81 1450.43 1296.91 2382.87 2326.92 1463.91 3559.84 1861.96 1486.86 1116.86 819.91 1132.81 1810.19 597.99 2855.99 1275.25 687.98 1367.02 2079.28 761.29 660.35 2028.15 1931.09 1846.35 723.16 4682.69 2265.53 1625.83 1472.56 1041.04 1117.32 1749.5 1786.7 1901.41 1779.33 1689.8 1882.21 1769.64 1936.03 1733.1 Salicylic acid 1886.92 1501.2 1518.84 1945.41 5541.49 3127.16 16210.49 1640.65 1193.62 2335.86 1708.02 9332.78 3408.51 2600.62 1856.63 12074.85 1429.75 1867.9 2563.55 338.15 3093.78 1859.68 1963.66 2382.69 1824.83 1620.42 3372.67 2029.78 400.71 1803 1432.2 2754.76 1742.26 1620.91 1709.69 393.7 1804.55 1952.14 2656.64 396.41 413.56 2312.01 3333.81 326.21 1871.37 16220.06 1743.73 2135.76 1501.95 393.04 479.42 3347.17 5199.71 2219.72 595.33 1783.61 1210.22 366.48 2976.1 2904.18 429.55 9574.07 335.44 463.3 1597.64 746.57 555.36 601.25 350.62 560.33 1284.25 462.95 384.55 1650.42 5804.9 2937.07 3006.77 2985.01 2910.57 2987.89 2960.62 3082.96 2912.05 2938.54 N8-Acetylspermidine 5395.97 13338.39 17846.04 19408.43 13621.39 18684.42 19398.14 4061.57 6092.44 7009.05 6071.21 14581.65 61613.2 25529.11 13997.16 14384.14 14265.96 6533.93 10571.39 1040.67 869.36 2672.65 11451.46 11870.26 7302.35 4715.53 5514.32 3237.44 3151.26 1268.76 2923.33 6584.75 2794.23 9915.51 9599.58 7351.83 5288.83 1982.81 12778.82 12165.21 6406.05 7897.69 13478.3 15716.95 3622.36 10157.89 5190.04 10677.65 3331.26 20098.09 2604.99 8451.55 10828.94 12307.7 9169.71 15817.15 35906.04 18345.07 5437.01 2900.1 26396.91 19079.32 14360.61 13740.1 7457.65 13863.44 5647.35 30366.57 23502.52 6845.31 4214.52 5080.59 4638.53 14878.09 19901.29 12292.3 12547.3 12441.95 12296.24 11833.84 12298.57 12447.3 12445.3 12387.83 Shogaol 14699.28 10262.63 8285.46 19043.65 9104.41 7760.48 7097.26 8751.78 7363.88 8905.99 6597.45 6500.71 3452.78 9224.14 6348.44 7952.38 7689.56 11100.59 4785.61 8562.97 8726.55 7609.05 7705.42 11480.69 8836.61 13024.77 14218.36 21183.39 6029.21 19322.61 8181.31 28149.86 6852.53 9079.5 6812.64 7452.38 9662.1 14225.71 8856.15 9711.07 17481.51 11957.03 7013.23 12643.11 7985.37 6637.34 9524.57 7239.77 6538.64 7179.67 11380.14 8240.6 8473.37 7163.49 10743.07 9942.9 13070.13 9898.25 7405 27613.23 12949.24 9412.32 6533.77 8998.36 9232.76 6161.32 9531.99 20355.18 11424.89 11454.31 9683.91 9613.7 10843.82 11789.59 9867.06 10460.54 9379.0 6544.8 6375.1 14207.08 6794.1 7745.32 6470.1 7079.18 6333.15 8057.52 6951.88 6429.29 6603.86 10720.02 7334.22 12010.41 8525.82 8404.23 10095.31 8432.41 10162.21 8159.0 8966.66 8534.76 11240.1 11338.34 11272.07 11543.08 11759.18 11713.61 11720.55 9855.72 12620.97 Vindoline 4093.01 2651.35 833.81 1336.09 2042.03 3790.94 1904.94 10749.88 2858.24 5845.02 745.34 3422.86 829.46 3771.07 2718.23 4155.85 1383.63 17203 9660.08 11056.75 4562.17 6016.57 1383.7 1648.63 12299.05 5864.23 2418.78 2897.65 3706.47 8324.24 10677.25 22446.59 4500.84 2483.18 833.79 8694.43 1396.79 3433.73 1764.5 1181.8 5915.39 13635.01 3749.61 3610.2 11591.85 989.29 1928.62 7110.9 1245.57 13162.34 1668.69 1976.9 4301.7 3121.03 2151.56 1409.17 1029.76 2140.01 8443.07 2654.07 585.87 1572.83 1353.27 1113.88 726.55 4244.38 9510.93 698.7 517.79 15472.18 1063.96 4530.68 5642.93 2126.17 892.3 3760.87 3118.11 4650.78 4085.09 3353.91 4170.58 3884.17 3596.3 4391.26 D-Pyroglutamic acid 25803.93 22091.56 39153.92 51997.47 27518.97 23452.27 57152.42 18865.41 21072.23 10661.38 21071.77 22411.42 32126.19 30693.88 16358.49 27772.28 34707.73 22031.41 11905.21 22130.49 46584.13 480.49 24214.1 27581.96 18251.29 12779.08 15520.36 16179.64 10759.44 19273.61 40030.66 11230.52 9205.45 21822.28 25607.11 13398.09 23306.24 11841.45 31548.24 18051.97 31871.87 17320.31 17497.13 40355.86 16842.44 99629.3 18384.07 14273.54 17587.5 34252.5 22467.56 22032.46 16154.97 29538.12 21187.8 26911.4 51554.25 22199.15 15424.88 5140.72 32019.72 25671.22 24624.98 28058.1 27786.71 20933.03 31926.13 20826.5 27332.24 30648.06 16632.24 16328.91 25060.49 19992.46 82854.84 25726.19 25560.71 25727.33 25632.3 26031.7 24710.97 25515.43 25562.24 25727.56 Arg-Ile 1054.38 13975.26 6307.22 7169.74 32474.77 17537.19 8332.69 23258.2 38614.41 13395.03 3623.37 1516.4 4411.95 4938.44 28107.19 20261.74 8157.91 13937.63 3406.79 12210.91 7302.07 838.98 4601.84 7689.26 28687.9 41831.26 15876.59 7426.03 18074.65 562.1 3984.49 7517.97 10365.77 8522.84 6779.96 10993.84 14382.53 5881.3 2601.03 13543.46 7122.76 4778.34 14502.37 1031.43 7051.94 7293.84 10740.5 6506.83 6024.95 6715.24 7998.7 4930.14 8861.68 14180.88 10113.26 426.58 8300.07 8471.33 10572.02 23569.17 4506.7 4351.68 12208.3 9321.33 8942.51 12701.95 7827.04 1551.29 1405.82 19000.4 16530.84 6904.68 7121.81 15804.21 5049.51 7531.16 10167.23 10078.63 9758.81 10014.06 10301.32 10127.75 9934.69 10122.95 Norethindrone 6311.16 5954.32 13757.21 5867.78 4435.56 4446.83 5457.32 6390.31 7859.28 9928.44 8736.06 5261.94 3893.82 11554.44 7003.78 9140.6 9330.11 17958.5 7494.31 13500.83 10535.3 6525.21 10606.48 10277.51 10033.42 10788.31 11520.03 9891.43 4728.13 8044.39 5050.34 2279.24 7697.52 5760.17 10660.17 12654.32 12310.85 11256.67 10550.79 15121.81 3246.3 2776.91 3187.87 2178.88 3354.12 5611.77 4976.52 9608.77 2148.23 4813.18 5366.94 7133.06 6211.35 6353.94 5292.77 7644.33 7483.34 10952.51 4643.03 7293.16 3410.84 4348.66 5878.07 12545.15 8530.3 2011.1 2270.73 4908.26 10143.05 14732.22 4696.69 5262.34 4779.77 2852.03 3730.66 5095.47 4953.63 5033.92 3761.22 5056.45 5131.48 5172.81 4737.58 4700.87 Loratadine 282.5 579.17 567.43 5028.63 4222.88 7863.05 2523.58 827.05 111.84 389.44 107 365.33 2643.48 195.63 469.21 1197.21 636.47 127.25 418.39 351 141.68 409.2 561.16 274.31 581.7 234.57 489.47 123.26 159.71 229.86 93.83 436.29 163.52 1482.32 139.27 110.24 287.61 1288.99 875.33 412.18 5194.9 1345.27 82.96 353.1 96.66 4179.1 93.5 222.65 462.56 268.98 1410.01 166.11 424.46 1185.47 1692.69 503.33 414.41 419 757.07 1465.11 300.41 1465.49 462.7 148.49 372.6 950.1 489.44 96.55 460.02 198.38 407.08 213.67 212.94 951.25 1334.85 2936.42 2792.03 2793.74 2822.64 2803.67 2807.48 2791.17 2723.61 2833.46 Testosterone 603.66 270.13 291.79 18150.69 33114.6 15693.8 41359.42 1287.54 381.48 468.62 376.04 628.48 5726.98 130.61 482.86 3693.02 562.33 102.14 470.9 449.27 981.46 200.27 243.54 351.66 447.17 339.69 612.51 59.99 290.69 359.49 182 1372.53 261.12 1127.85 463.16 809.37 468.81 409.41 101.73 556.87 18307.58 2240.93 1723.02 650.68 422.66 9090.83 517.58 422.48 200.59 529.92 1347.48 309.47 503.99 1467.52 5125.87 483.24 492.22 655.71 943.36 3911.56 382.74 939.74 1417.93 712.03 188.72 1931.04 583.4 285.67 399.61 502.04 472.69 698.62 359.27 1960.5 2054.24 5605.17 5638.05 5498.85 5531.3 4906.28 5548.16 5498.96 5550.14 5604.87 L-Argininosuccinic acid 10820.44 2867.71 2331.38 650.02 1120.88 1342.76 874.89 4336.36 9045.68 4189.04 6310.57 6929.01 2870.51 1588.45 6300.11 1623.78 5529.4 11441.95 3956.72 4032.39 8815.73 1160.99 4074.52 2006.13 10967.67 3697.93 3114.56 5497.32 2918.51 5069.57 11206.67 2254.7 4058.56 1611.35 3306.28 7001.73 6161.43 1710.96 5174.8 1422.42 9631.18 8357.59 1724.79 3033.65 5624.83 2302.01 2497.56 3849.59 4979.3 3706.54 8743.62 5375.06 1756.85 2014.18 4474.68 1573.99 1321.62 980.1 4618.44 2933.11 1363.35 1606.53 927.48 888.22 4615.2 5379.93 8655.99 4106.34 1912.51 11283.7 1768.4 1238.25 3808.86 1662.93 1265.63 5431 5228.54 4682.52 5633.88 5553.91 5566.34 6098.66 5576.07 5301.96 Andrographolide 6261.49 10303.93 14981.57 9882.66 7165.8 7675.67 14201.28 14919.79 13779.19 11320.94 13197.48 18634.55 6555.16 22850.71 3803.72 14994.59 14173.9 3721.49 14991.28 3076.35 7941.57 1969.48 11367.11 17442.66 8366.63 6216.58 9097.16 16166.65 6287.19 7218.59 8913.26 12859.38 2847.38 14560.21 13232.41 6869.42 11761.45 9924.78 15544.83 21087.08 8051.67 19029.88 18956.67 17088.47 13292.05 18266.1 5381.24 14201.34 13081.23 15575.92 12181.63 10954.2 17804.61 4404.09 4267.19 6708.33 9282.65 11585.52 8923.47 6493.58 18670.29 13673.44 7536.68 14482.89 4116 10523.33 10881.58 11718.66 24874.48 9858.58 8620.23 13971.83 18218.47 15243.26 13126.06 11158.3 11623.91 10924.41 11073.68 10041.42 11439.77 10876.65 10729.34 10894.11 Fludarabine phosphate 11827 2182.55 9497.6 610.71 6516.65 14196.52 19173.89 9144.41 9112.62 10837.81 35929.54 14991.92 1538.57 16315.51 14909.01 37872.99 22210.25 5680.58 3737.92 6005.53 21977.87 2504.38 2782.2 18830.59 10935.22 13936.32 14375.68 16859.26 1701.18 1171.3 7875.37 4944.55 10549.26 16626.42 23184.52 4513.87 16651.54 9921.25 15955.97 11976.67 5404.49 13941.69 23954.07 20303.28 9188.69 16793.76 6815.61 24260.63 9292.96 22667.88 8626.98 12527.48 18809.61 19112.27 9864.01 2156.85 6805.75 1157.44 17518.96 7703.8 19001 3860.08 11454.18 13937.26 6664.37 6727.23 24888.24 18538.53 28704.61 15357.1 15836.03 9138.96 34133.07 2096.39 31156.06 15723.55 15738.97 16282.26 15718.08 14942.84 15479.15 15725.85 15671.2 15481.69 1-Phenylethanol 7516.66 10939.05 3800.94 5690.08 10755.83 5622.33 6951.75 13293.52 9590.16 11399.64 4029.04 26080.44 8706.57 5510 6762.01 6773.07 3305.15 10315.05 18612.74 6229.9 6001.19 3356.11 4128.69 10601.07 10737.93 8896 8129.03 3891.63 16495.92 477.12 5347.68 29013.82 7740.55 5387.21 6506.08 14963.16 5982.39 5611.66 5137.04 888.73 3652.06 9794.05 5263.1 3521.76 8930.11 3189.09 9004.74 7518.75 11465.78 16732.34 12519.85 12651.91 5989.72 2946.53 4850.7 12111.38 1175.7 684.85 9813.33 3076.56 611.48 4739.63 5323.23 2618.24 3435.83 11829.09 4718.07 7047.45 5737.23 6883.24 4550.78 9475.38 939.64 7564.27 6468.27 8170.94 8192.84 8209.06 8102.29 8103.35 8103.22 8377.25 8210.35 8113.99 Cinnamaldehyde 4977.79 2866.23 3993.51 6553.08 4894.48 12933.33 11498.8 4452.51 4772.05 7668.83 12170.13 11801.04 15913.93 14668.09 5572.89 10382.79 9993.44 3253.42 6847.8 1405.41 3871.11 5822.26 8273.04 16380.3 11523.03 7169.62 15570.99 12989.07 2874.13 3090.54 10813.58 6832.69 721.53 15917.21 11335.62 4476.89 7653.74 8129.34 14379.16 9149.12 4932.37 9176.43 10854.4 11994.99 3373.06 11141.72 2054.26 3741.26 6518.21 8669.11 7708.22 10579.47 16756.52 16786.27 6271.76 3354.16 7173.54 6394.96 3796.98 4532.17 9729.8 4009.54 5497.76 7188.23 4440.08 6888.08 4869.56 10037.2 18151.98 5169.45 570.78 8109.89 10858.62 9703.43 15516 8905.23 9333.74 10395.37 9586.45 8502.48 9014.32 8579.45 8565.17 9763.77 Leu-Gly 3995.95 6707.38 13060.51 5160.39 11208.83 14172.86 5383.32 7237.93 11012.59 4537.47 5133.03 16238.3 8547.33 3954.2 4942.25 7365.24 3899.33 8620.34 7933.07 14432.1 7331.59 12347.54 3170.64 2911.03 8587.6 8234.54 8433.24 5603.79 12503.33 4240.6 11627.44 7606.13 8182.89 5214.44 4523.65 3557.89 7345.37 9299.17 4164.89 3294.58 11041.1 12678.47 4929.09 3016.9 4902.59 6621.25 5473.4 6862.97 4516.34 7225.8 6965.88 8354.59 5470.21 5217.49 6303.5 9586.84 20630.17 13881.87 10521.34 6630.3 2699.25 3799.43 6260.02 4855.37 5373.3 3722.12 12941 3828.37 3918.32 9323.01 10802.79 5021.83 5307.47 3653.97 6423.2 6794.3 6498.47 5987.4 6617.93 6539.27 6825.05 6807.77 6780.44 6433.2 l-Alanyl-l-glutamine 12475.59 14829.99 10277.53 10229.29 1841.89 13408.38 8148.46 13436.84 10851.69 7863.25 3060.55 13275.17 2715.48 2449.46 13396.66 1639.7 7346.27 12529.11 4287.24 6448.84 6311.12 5185.52 6929.95 6340.24 6633.67 15207.26 3603.51 2175.7 5694.39 8718.54 5677.1 7372.41 8252.11 10165.19 12950.27 4310.24 14397.7 1956.76 9600.9 1538.84 10194.24 9436.44 2466.88 6721.35 13342.76 2260.17 3140.25 9149.67 10030.07 2907.61 10428.06 13400.97 3881.03 1672.51 4901.27 5657.28 9216.37 699 8589.58 3076.22 2433.46 4984.26 4634.45 711.59 10255.2 4631.69 15325.17 7926.76 4165.77 2731.85 10648 9104.15 4698.05 3433.92 2985 10332.65 8743.95 10361.41 10327.83 10334.3 10292.89 10431.01 9885.8 10288.2 Solanidine 4007.4 6960.83 4563.89 1726.51 713.51 3018.56 2922.14 4825.94 2939.02 5344.98 826.99 1759.57 2782.68 7989.01 3466.64 2555.18 7285.52 5319.16 5093.64 3463.98 2604.72 3239 3469.1 4798.87 2998.16 7535.56 10428.59 3984.58 1079.4 7788.27 3412.37 4413.15 3710.46 3025.48 4106.58 4393.65 5343.28 6304.16 22176 12278.02 4288.29 2682.4 10316.46 4669.13 2835.36 3632.53 3277.17 3781.94 774.49 2168.29 3486.99 2688.45 5568.24 2593.89 4424.75 3915.55 4862.23 5717.56 4409.05 3348.6 5470.58 6361.56 3220.05 7223.87 4258.11 2988.74 4308.53 3162.71 9910.36 3649.12 3663.04 7044.24 4731.05 1627.64 3576.95 3738.46 3249.54 3566.55 3252.35 3670.93 3608.71 3727.62 4051.94 3538.27 Dihydrokavain 24291.05 21571.52 18683.16 22328.33 22883.52 23923.68 26883.78 36551.3 19440.7 20810.24 29312.69 16162.55 18206.74 18425.78 21424.48 18025.01 16940.01 18270.38 18423.68 18591.34 24972.24 15850.21 15576.09 21573.45 23734.5 24092.34 19522.85 18213.44 19677.66 21767.56 23069.56 21654.09 17957.61 19713.41 22833.09 18886.16 18804.81 18925.4 21682.9 19379.89 19738.45 19076.93 20666.4 19730.16 19631.66 21924.78 19331.47 19177.34 17315.25 19502.6 18280.9 20833.39 21396.44 20558.09 25482.26 22941.05 17875.64 21718.61 20552.96 21632.18 17049.98 18043.57 20708 18182.48 19476.69 21870.71 19095.31 21079.14 18000.03 18780.67 19108.75 18901.96 18121.99 16009.8 17687.84 15278.44 27244.61 15102.65 14184.89 14387.18 19397.37 16395.43 15259.44 14311.07 15222.71 13267.17 16287.98 14043.65 14871.61 14069.27 12745.18 13638.52 15513.29 13653.34 16672.67 13779.2 14036.86 14850.48 15736.41 13182.9 18605.37 18706.81 19351.6 18769.96 18729.5 18071.74 18538.78 18702.72 18592.16 Mepivacaine 16087.34 15245.38 8308.58 13501.56 25452.73 16426.96 11961.01 15847.05 14714.15 22124.14 9590.72 9387.83 11542.8 18420.1 12062.02 13298.67 7645.04 18495.67 13203.18 11827.95 11425.24 8489.11 16343.75 9603.55 15793.94 13637.92 23101.86 17464.57 20383.93 3837.19 17177 28105.87 9049.35 15614.51 9977.21 23269.65 13062.72 12444.57 8920.49 6512.64 15218.15 25577.81 13291 9594.87 19081.94 9670.88 15030.45 11510.04 11543.66 16591.54 12686.33 16695.26 13788 13639.71 8213.21 12784.13 7880.85 6213.13 11720.62 7350.39 8170.72 9608.69 10104.69 9794.57 5473.48 15080.53 13754.32 12224.9 10607.87 10789.49 14015.2 14619.74 7829.36 10861.88 24091.79 13586.68 13547.59 13411.08 13407.18 13510.15 13439.81 13541.91 13407 12979.6 LPC(16:1/0:0) 24380.05 25731.58 24747.95 52644.18 30008.75 63198.03 37971.11 30014.25 52103.25 17288.68 21247.8 49839.9 56898.03 16320.66 22749.5 46152.52 13049.67 3717.55 2973.91 31863.93 85253.89 989.1 27761.94 24969.29 23239.06 27152.44 22330.89 71342.95 20982.5 37084.95 33478.69 83150.62 4729.55 61634.13 22341.94 17103.47 21274.03 28700.99 13400.06 23458.47 159718.08 50724.18 22401.39 15693.42 34517.72 48624.4 30664.03 4442.69 11856.24 32510.85 40232.54 11435.77 34535.04 71950.52 25461.83 8924.86 21508.95 22821.38 18569.62 42522.72 24176.92 24261.64 40539.36 53771.44 10992.72 39323.71 52420.47 43787.97 18632.55 25509.62 4880.19 19267.24 16325.6 50684.45 132743.93 152980.08 102400.85 190337.1 157380.74 149344.19 83063.49 56604.83 202308.87 179429.98 29117.51 24517.35 79232.26 60582.06 167758.98 39386.12 78507.71 56660.29 189659.32 101841.5 39686.88 115280.04 53302.06 79956.75 107751.97 502983.08 40112.44 39519.39 41500.41 39885.45 39065.85 39552.55 39772.73 39414.88 39892.35 Procaine 823.5 380.03 932.86 861.4 3069.07 894.7 756.6 1211.81 513.97 645.23 750.65 707.68 640.6 1115.86 2248.62 502.36 1089.9 437.9 790.27 2849.21 2127.15 584.23 791.69 346.34 1152.53 1155.93 337.46 676.13 2257.66 824.96 1095.14 546.62 1145.84 760.8 471.52 1180.2 2088.36 410.64 1278.51 906.42 2094.83 789.49 786.13 377.77 726.57 759.51 429.01 960.97 689.41 971 839.65 337.52 1643.74 740.96 1180.13 924.91 775.77 723.73 553.29 839.5 334.95 679.98 624.96 803.22 547.52 743.27 1600.78 496.07 693.05 1003.26 1929.08 746.65 361.14 1045.8 708.15 1142.38 1231.58 1353.9 1322.21 1303.48 1431.34 1323.68 780.1 1206.45 Iminodiacetic acid 18862.49 16027.19 2922.59 2389.36 1807 513.72 6724.85 11725.23 15690.8 11267.87 7990.86 8895.47 9691.4 12409.65 10032.11 7117.31 12225.12 8962.89 1781.84 9859 7532.89 6719.84 5941.78 16877.17 1006.01 9501.19 16822.76 15756.72 1059.5 12386.02 13124.82 6970.68 7715.55 19975.93 15378.87 14734.28 13934.56 8346.52 10667.67 7374.32 11132.19 12361.63 13465.43 12782.86 11997.45 10756.8 16920.49 13521.46 9374.11 6425.34 11696.85 12975.91 11101.82 10023.52 6003.21 11572.03 13888.57 11944.09 13738.29 8560.72 10402.56 7661.8 13066.61 14502.93 14846.7 9504.71 8786.83 16931.67 14518.43 15250.31 14005.14 13297.59 4838.57 9277.19 12832.59 12522.07 11866.44 11468.7 10513.93 12033.86 11656.18 11472.32 11661.21 11500.27 Tetrahydropalmatine 446.05 7358.41 7578.99 5150.05 6904.08 17218.16 12168.11 3729.67 5536.81 4917.33 2999.64 7296.42 5611.72 6339.61 7024.45 8741.96 6106.95 2377.71 11593.87 6019.78 5498.13 5382.11 7419.39 5586.19 771.54 9235.33 4923.77 5174.17 4852.48 7747.27 5961.72 19214.99 2773.17 10196.97 8419.33 11533.38 5034.14 8032.83 4740.12 4656.04 11521.8 9822.48 7986.04 4196.31 9571.73 5055.48 10252.6 3583.08 7796.38 11721.63 5628.39 8979.41 4025.16 5678.44 4724.96 9780.56 4486.21 5284.73 2798.51 7182.88 4832.32 8657.18 5393.34 6871.47 6097.97 6108.62 8184.83 4489.31 4083.16 7418.15 4707.97 10828.17 4294.71 8607.05 5947.42 7545.73 7373.79 7658.42 8008.43 7632.09 7345.28 7171.56 7333.3 7251.96 Gly-Val 11191.38 8389.52 13719.87 21765.41 29078.25 20050.25 7235.23 2645.76 12645.07 12641.88 10022.29 11074.34 14787.12 9565.54 17592.22 12922.75 10909.43 14440.72 9047.7 2976.44 16722.61 8710.93 1284.57 12724.88 18213.46 16871.52 14371.86 9754.03 13924.83 3886.31 1831.89 9796.49 10405.43 5939.22 14208.86 12542.82 14040.52 8255.53 2791.2 15981.71 12996.27 8932.99 15827.5 8297.18 10179.64 17996.57 12738.53 2166.4 10700.37 13420.92 12841.17 9633 10577.9 20069.82 11819.62 11077.95 6095.91 12792.67 11734.62 14622.18 10000.04 7676.78 15277.5 16866.36 15696.76 14322.05 13357.48 10189.6 10062.76 19475.05 14959.81 7297.52 10706.32 24270.93 18100.92 14564.06 14420.04 14428.02 14635.56 14637.44 14454.66 14433.72 13686.49 14635.58 Zolmitriptan 1504.8 1967.96 567.27 1781.22 1695.79 623.56 1746.01 1315.24 1575.76 1703.21 2802.94 1495.77 793.04 2265.84 1901.92 6270.15 1410.87 1348.98 1038.06 5254.21 889.78 2922.47 2027.98 1166.18 1092.61 845.51 982.69 771.77 552.34 1130.11 2793.46 2724.81 889.18 2317.4 1763.91 4126.07 1939.24 815.56 2298.15 2046.72 1638.55 1321.42 2298.41 1269.58 979.07 1427.82 2390.13 1494.72 1854.32 3209.52 1870.68 1246.93 2169.02 3586.2 2203.56 1572.63 3378.53 468.44 658.12 754.82 2800.22 4936.87 1197.13 1334.04 1363.69 2957.67 466.86 1896.3 2001.96 1530.33 563.22 1799.47 1930.71 2340.73 2456.5 2057.31 2326.3 2160.4 2120.59 2307.41 2322.81 2242.57 2596.39 2081.96 Amitraz 954.15 1742.56 23988.99 28105.24 77977.66 96909.74 88474.3 1885.57 1698.97 2393.13 4599.39 1196.13 27132.29 462.34 2126.4 572.89 898.47 8967.01 5224.67 349.73 1116.08 60425.82 4571.04 1264.46 302.45 843.67 233.17 751.41 519.6 1009.63 1271.46 477.97 1664.74 1959.38 4273.92 1860.29 1415.07 4417.25 2201.97 4922 31649.04 4885.76 3904.73 3728.14 2947.67 25371.5 7181.77 6353.94 1773.55 10440.33 4161.62 4023.97 3356.19 9594.56 7296.57 5223.07 8595.12 6753.7 2969.75 9221.54 2925.39 5038.26 3350.45 14902.4 3116.27 5398.57 6401.61 1626.83 5249.27 1902.17 2896.72 1177.11 1880.33 10300.62 9052.58 14163.55 14071.83 14089.07 14132.26 14168.54 14169.86 14535.45 14055.81 14066.61 Temozolomide 12193.54 3310.07 1172.25 1614.95 5860.57 2359.62 1393.43 16553.27 31191.36 857.75 15916.74 8205.39 11452.9 4510 7593.09 5443.71 4826.21 34728.32 3686.62 22271.61 16525.88 500.75 1080.89 2387.13 13596.62 13553.37 2778.16 10694.32 5250.76 7829.32 16628.74 4297.93 5493.85 1130.3 4782.85 12080.03 16069.72 3873.17 2699.7 1295.07 20596.46 13985.42 2560.77 14984.64 10888.17 4501.4 10164.46 919.27 5653.91 2914.69 7242.97 7125.24 8518.34 15679.18 5657.69 9974.96 1739.02 1858.92 11762.05 2487.86 1743.42 1272.98 7083.43 3917.12 5662.62 9714.42 21014.72 10711.52 8282.61 11458.9 11750.44 3361.51 4115.88 1845.45 3686.51 11531.59 11265.84 10084.43 10354.85 11265.44 11428.75 11261.36 10544.52 10869.02 Retigabine 6551.19 18743.15 4973.71 8448.13 6678.51 2474.06 7242.45 13487.87 20947.02 13030.49 5554.78 1700.1 5832.09 2457.85 19423.27 4628.74 1914.55 12253.43 11517 9481.45 2773.54 4319.28 2719.72 9507.57 6672.05 18147.57 2575.89 2153.84 26303.34 1465.24 13897.66 10127.4 13477.58 7324.69 6227.33 11604.71 16770.52 9096.38 2806.59 7441.3 6309.79 18966.26 12572.11 4459.3 10537.74 5959.94 14122.32 7507.86 11001.72 9714.05 5878.17 13461.36 5428.39 9373.07 9142.37 16321.74 6162.52 5721.18 14198.51 18776.31 6355.41 1650.57 16120.45 11459.96 14238.66 12277.05 15124.04 6003.78 6837.08 19073.07 17329.14 6585.5 7640.1 14982.69 7772.79 11299.06 11536.01 11496.44 11531.39 11527.12 11169.31 11718.38 11542.31 11528.33 L-Homophenylalanine 2598.49 7691.34 24118.8 19002.5 3880.56 12110.71 9783.61 5546.66 4266.18 5042.48 6554.65 1985.31 2832.89 10815.57 3383.64 14639.49 15353.96 6042.82 9507.36 6988.22 6473.34 2010.17 9459.98 4393.39 1583.21 6270.75 2017.01 1571.73 5030.68 2888.46 7435.25 10248.24 2040.12 7886.32 5859.32 2161.22 4608.4 2326.26 4892.01 9681.04 2372.01 2561.35 12963.28 7994.59 3914.44 8139.45 6520.37 9521.57 7432.71 13370.93 2881.01 2400.85 5678.85 12565.65 4155.65 8922.9 19916.59 20354.1 3649.37 9056.75 5569.74 17389.28 3740.99 16700.38 8254.44 2172.23 9465.29 4689.34 7620.99 4440.25 5827.93 14937.53 10618.5 30782.8 18284.38 9511.47 9306.78 10122.46 7905.47 9491.35 9059.53 9095.97 9026.46 9492.12 Betaine 2838.31 3403.97 1119.37 2258.89 2712.32 1086.56 4096.8 2902.24 1636.43 1782.32 1221.37 1196.11 1131.25 1887.26 3103.03 1681.78 1128.28 2401.6 742.36 1656.86 1300.15 636.7 1467.81 1055.35 2469.44 1037.72 1625.01 2279.92 3079.59 1899.26 2386.45 550.23 2349.68 2335.89 738.43 1589.32 3003.91 959.64 1631.49 3406.41 508.25 1031.45 2085.2 1557.3 1316.09 1927.94 3708.58 2670.86 1572.18 855.56 2424.82 3019.97 3072.8 1030.91 1418 1772.58 2088.48 2079.66 3357.37 1699.52 1511.19 3280.44 2524.94 2715.53 1822.09 2904.52 2022.31 2223.12 2334.98 2931.72 2563.74 1741.65 2262.02 1967.81 2850.53 57217.47 67456.45 63547.3 78654.28 74700.49 50956.44 45326.65 35597.31 75976.15 35624.46 107224.47 55754.86 69922.07 36355.71 79326.31 102055.77 51331.03 67622.67 48288.59 52165.64 50920.86 65213.62 66789.49 67158.42 104300.01 1934.73 1849.77 2020.49 1813.76 1918.97 1813.47 1952.77 1849.92 1817.52 Terbinafine 314.35 69.25 1865.67 14266.31 27793.06 25883.26 26889.39 476.56 290.51 101.48 203.46 476.53 7340.83 706.88 450.1 2835.5 193.3 668.31 216.58 98.68 442.03 65.97 178.61 305.99 275.99 143.96 1128.51 104.36 665.62 495.97 88.91 276.22 439.11 4196.08 368.57 125.64 158.21 1253.28 495.99 599.47 9466.46 1638.62 135.78 266.5 686.63 13908.81 67.17 503.45 492.63 902.21 2578.17 446.16 403.92 4517.29 4344.24 487.01 506.18 406.11 217.09 3265.99 502.31 1032.81 596.91 782.72 152.45 1452.51 288.46 171.74 282.78 52.71 63.45 627.43 78.08 597.77 1394.54 5234.52 5244.05 5234.89 5229.58 5228.72 5421.27 5536.45 5505.95 5557.8 Val-val 18376.83 10855.86 24176.74 32821.39 39162.38 11599.55 30569.47 50536.54 66774.32 22133.01 12578.75 22740.21 71148.63 31410.19 24847.45 13899.46 5205.7 24282.61 14375.42 4104.86 6071.89 1540.47 19556.52 18688.24 18124.41 30476.14 11363 21271.38 43498.97 2450.48 6840.46 13065.87 12243.75 18685.74 17857.63 20708.09 11714.06 1403.64 11186.5 16975.95 6554.46 16423.7 22485.02 17155.72 19062.51 18163.18 8632.29 9839.51 18321.92 14740.06 14741.47 18598.55 17099.1 34585.71 23680.37 20536.02 20533.34 20018.67 10505.42 15227.7 11698.96 30742.22 15588.3 19248.34 33515.96 27855.85 10906.2 15506.72 10931.57 26121.26 26630.37 6969.84 11989.32 34113.68 26692.18 20594.12 20721.53 20589.99 20648.35 20589.95 20721.29 20908.21 20676.23 20658.65 Arecoline 7908.33 871.27 3798.6 1928.65 4887.76 1704.59 9942.66 9146.86 9841.05 8123.44 9600.29 13393.31 7377.45 6628.72 686.74 12389.92 7855.56 6437.46 16641.85 11498.8 13785.98 749.6 5892.67 9683.45 8210.12 6638.25 11450.32 17716.26 11992.75 9964.63 9468.86 17535.53 3252.95 7509.55 6185.77 4563.43 6523.02 1286.44 9765.65 6445.03 18462.59 16247.08 9884.72 8514.46 14992.7 9994.14 10022.16 12257.79 14557.76 20833.29 7128.59 5094.58 8879.26 9652.49 6209.06 3683.2 3132.86 2650.9 5259.83 6144.91 5695.39 5899.33 2979.91 8769.07 5436.86 7268.5 7845.34 12116.45 9591.51 6330.84 6006.9 7742.9 12279.43 6099.44 10562.05 9364.21 9216.49 9159.59 9114.52 9640.34 8807.38 9251.49 9110.66 9303.81 Gly-His 1621.46 2644.87 1101.04 10896.38 11431.37 19846.11 13802.58 1054.6 2484.23 1127.19 1087.74 1456.17 11950.13 648.46 995.5 2642.68 2257.37 4279.61 1911.36 48260.19 629.53 5103.34 310.25 1621.3 497.3 1264.67 284.38 792.12 1236.64 3535.11 2644.95 7628.97 864.87 1738.59 440.46 713.53 646.05 573.39 621.69 924.29 3382.61 2425.41 1164.21 2058.75 2035.63 3229.09 1033.95 433.57 387.91 1412.48 1530.04 953.06 745.64 1347.52 1258.57 1030.78 2156.57 488.21 464.79 425.05 1272.56 2570 1005.03 1149.35 780.82 1041.57 3115.17 1322.05 1355.06 2376.81 11532.64 1603.53 369.92 983.04 583.44 2712.49 2576.98 2359.73 2550.87 2592.24 2231.72 1294.28 2526.48 2446.4 Auraptene 3328.64 3063.5 1775.75 1680.93 2020.47 5888.24 2866.67 5668.72 4821.39 4262.9 2928.18 3571.59 4708.3 3402.84 604.57 5868.37 2608.09 2371.73 3452.94 4825.09 6584.9 945.57 1435.97 1348.96 4291.93 1062.91 5128.6 3619.94 6762.93 3807.2 1305.36 2650.79 1956.61 2637.85 5092.6 2819.15 2729.97 2435.28 3882.21 1194.11 4352.51 4060.19 3157.23 3195.61 3656.73 4598.61 5796.37 3096.8 1564.59 5677.57 1908 3112.59 1829.9 6130.99 4398.41 1327.1 2173.98 1213.98 1091.2 939.18 2548.47 3164.89 2663.12 3006.1 734.7 6028.27 2840.4 3749.59 1743.55 5094.91 3686.93 4043.17 1105.49 3588.1 5492.47 4636.63 4423.62 4213.34 4372.81 4414.85 4431.9 4432.09 4194.55 3698.32 Vilazodone 16648.46 13056.11 1776.32 1104.31 11176.63 46864.27 9364.25 27314.19 22872.53 11321.93 7189.72 9692.16 8493.27 2500.48 23500.32 20587.9 6921.93 27841.84 26631 48570.94 29554.25 8079.56 3788.69 6422.31 26537.06 19553.85 5239.06 4660.5 32252.07 27761.38 26603.83 64948.02 22933.69 5614.14 5864.64 23583.52 19070.26 11013.49 1522.01 4130.58 20285.34 33987.15 7096.93 4765.81 32834.49 8697.98 31265.92 10219.45 23734.58 20929.96 13856.01 14923.87 5287.29 3798.67 16810.66 13854.97 1514.82 2305.67 31455.4 5913.22 4206.29 2298.44 11996.08 12352.3 12468.13 13522.02 18904.56 7567.35 6587.38 20577.71 19280.38 13782.3 10094.23 7303.26 2575.41 21255.39 21700.14 23256.78 21238.7 21886.02 21337.04 21854.39 21903.9 21306.27 Aminopterin 6915.44 19244.47 2210.73 423.55 947.65 22601.1 1006.9 6374.74 26187.4 2136.06 5851.7 718.4 5497.74 544.51 28969.48 1073.83 3714.48 5804.75 7364.97 32435.86 9246.82 15112.1 2514.03 3836.01 16261.81 10094.01 5409.5 1241.2 14419.84 2444.24 14131.05 752.11 16269.39 1514.17 925.01 9623.96 18898.46 21973.07 617.32 4275.91 8986.87 14896.88 3401.09 3476.9 12900.69 5821.31 16927.59 7615.89 3247.59 7559.42 6756.15 16350.71 4104.69 6066.93 12764.17 10217.92 3115.35 4130.8 15416.42 12128.62 1178.73 3025.55 16622.03 3525.05 845.15 21926.74 39965.34 1854.98 3750.3 23083.84 14747.51 7197.15 8989.13 1943.93 1238.79 10390.72 10113.57 10111.35 9761.33 10450.69 10402.36 11014.77 10029.4 10401.94 Ramipril 23698.25 18562.05 10503.29 1172.7 15203.94 4863.39 13624.65 38324.28 29031.63 22424.14 17300.82 34162.69 2214.34 22063.88 38695.13 59084.24 4311.85 45021.47 74500.69 46182.83 33613.63 25430.9 20533.69 31376.44 32299.83 24303.26 1507.96 18186.9 42338.03 36822.9 32391.18 61647.52 21881.97 22734.18 5937.73 39034.95 32789.22 14904.83 15477.18 7255.72 20201.49 49714.82 29489.06 15217.2 41706.54 1965.86 39488.36 33417.77 41238.47 52057.17 41946.59 28125.74 20626.08 6629.36 23352.7 30086.62 1900.71 11291.77 41175.51 1518.23 25169.18 13983.14 27031.58 25091.46 18531.6 23746.65 29101.64 13198.39 15508.89 37318.89 25708.53 30859.26 43526.87 21337.77 4981.82 29647.06 28571.46 27973.61 29065.07 28532.74 28317.13 27990.19 27700.38 28581.39 Phenylalanylphenylalanine 12525.53 1683.61 831.59 1079.02 20721.55 2711.24 6350.47 19181.57 18908.29 8261.65 3814.3 5200.5 4370.09 2572.63 6000.94 3505.99 4417.56 9925.62 7295.33 7944.58 16867.3 2934.05 805.86 2149.71 13426.41 13258.33 7595.63 779.53 1745.76 5342.28 2907.37 26279.56 7637.41 6559.09 2517.3 13658.67 11568.61 4635.76 653.14 1383.88 3366.31 14265.99 4197.97 4478.98 14780.94 1296.56 6054.9 7263.92 11054.16 17675.25 8728.66 6699.48 11839.01 1755.32 9916.84 2571.95 659.46 1815.18 21611.01 2499.24 2003.87 704.75 9624.4 1332.14 2401.06 8191.07 9118.99 8641.58 4542.72 9251.7 8149.59 9078.88 6068.02 6657.38 3707.4 6600.17 6354.89 6411.06 6405.96 6803.36 6670.3 6504.47 5520.61 6859.42 Clofarabine 3082.38 1231.69 2935.25 2157.3 3886.99 2698.46 1629.39 1446.37 1857.37 1508.3 766.84 2206.4 2119 1681.72 2433.96 3274.15 1753.73 2222.38 1999.99 1449.79 2495.3 3224.16 1521.96 960.52 1736.64 394.13 2019.09 1738.71 3408.2 2884.36 1153.18 4064.89 1605.3 3902.18 1046.15 1742.69 2101.42 6391.37 858.83 960.93 1980.58 2188.33 1617.42 1935.15 2197.93 3017.39 1536.17 2541.37 2437.84 2319.98 2479.26 1427.15 2447.85 2952.54 2620.92 2018.6 4577.15 323.27 1667.1 1339.45 2002.27 1307.68 1766.15 875.57 1314.5 2576.76 794.75 956.7 2203.81 1310.56 1485.67 1027.33 1317.91 1701.36 1971.1 6031.32 4157.11 4617.31 5583.46 6411.38 8261.73 4819.33 3469.05 5919.31 6618.75 3033.03 5267.14 4665.59 6816.42 2365.08 6298.9 7171.9 7483.22 7000.49 2698.81 9337.72 6616.42 6338.91 9656.66 8886.17 2963.41 3206.86 3029.26 3148.14 3205.48 3079.5 3245.54 3119.02 3070.84 Peimine 159010.91 187108.05 164678.79 94094.58 78735.75 194885.37 117087.37 136032.32 179813.38 227216.93 121658.7 151980.2 149128.52 178140.37 97658.53 163630 170046.53 54897.9 128064.26 174751.19 164255.9 155994.53 138408.97 115759.71 111252.19 232050.86 263086.67 165442.82 113261.74 215430.26 222932.89 190587.21 133767.77 128258.69 193668.63 114413.99 185585.17 242485.16 219250.26 156336.82 132294.05 132373.29 178473.08 103638.43 83105.74 162865.24 85835.75 159987.55 46776.39 148895.65 176278.65 133126.79 148746.98 115961.4 102893.81 126668.1 128779.08 80026.29 69305.52 152019.21 119575.26 86230.27 103331.87 157676.46 159103.85 96113.36 181478.36 223447.38 129842.55 124725.32 159795.77 162581.86 93605.14 91043.13 112899.62 17228.56 20598.81 16587.71 15979.63 16063.63 16362.69 16533.67 16626.88 16456.65 16058.05 22008.53 16291.66 16439.01 16429.29 15555.3 22161.93 17127.96 16252.65 15832.49 16539.41 15763.23 16100.37 16402.19 15822.37 14713.65 136196.92 137217.32 136905.74 136239.55 136213.24 137666.59 137213 137210.48 134570.92 Urobilin 183290.04 176207.84 142851.69 132747.97 286525.96 316552.21 176606.97 97294.04 183989.41 138115.92 115750.81 107567.82 221816.96 178756.88 234777.32 339085.47 127470.89 88034.21 166916.19 5022.08 105316.51 111112.05 192014.47 198437.99 210611.68 142064.23 146516.06 153465.52 122350.58 61892.11 152816.06 131036.17 36155.45 284599.86 240190.69 166505.7 173577.44 182425.01 178764.02 181996.8 138901.81 237563.79 204000.78 108165.58 181801.96 175229.61 83583.27 102448.64 122353.2 158394.52 278747.53 256510.6 235468.57 270259.34 183616.2 240921.67 139818 117289.67 33955.87 147543.86 143651.19 168499.13 213516.81 228825.51 71790.5 353284.91 64252.03 167805.38 152949.71 135823.85 31872.84 175340.62 167765.04 187256.9 184379.38 175657.88 175642.18 175651.59 174604.19 175689.27 174576.89 174307.98 174576.92 175676.86 Anserine 2638.01 2531.88 2243.47 2562.59 2179.64 2176.69 913.61 2555.17 3051.61 3096.71 932.91 2053.51 1388.58 3361.26 2917.27 3572.8 3007.79 3033.84 2909.58 2800.73 956.99 1829.86 1702.67 3050.8 2718.15 2370.85 1995.79 3358.83 3261.53 2504.65 2565.02 3161.67 1411.25 1643.73 1656.33 2790.12 2597.37 2630.47 2262.8 1595.43 2660.55 3079.62 2567.38 2383.45 3233.65 1415.75 3604.39 1560.44 1359.13 1725.44 2207.08 2415.94 2250.6 2041.34 739.26 2796.65 2645.22 2820.81 2743.26 3002.65 1974.8 1601.84 2596.95 3428.42 1823.94 2298.85 3013.93 2720.84 2791.12 3061.78 3027.32 3305.43 3325.43 2360.54 3585.68 2942.82 3056.24 2998.77 2922.25 2974.67 2924.66 3060.03 3058.68 2303.26 Medroxyprogesterone 76133.13 81812.17 19970.76 35497.78 192167.08 55083.52 61214.15 168135.43 74213.97 27438.63 45959.79 76086.17 121922.59 86406.68 69308.7 50562.15 40444.51 103498.36 209393.51 42244.93 83366.83 22335.82 56669.29 50244.03 91139.83 95043.68 72278.55 28433.26 79441.33 1066.73 49658.41 97743.74 33552.23 97101.41 49119.13 242609.37 113944.74 39108.3 46258.57 33154.04 40304.95 92915.84 66373.92 27662.15 191506.57 49308.31 77805.91 131734.09 139742.95 112206.4 204002.72 120585.22 275852.96 93759.12 102687.68 76461.69 54422 7866.94 97803.09 38458.16 171965.17 113462.07 123162.31 74201.66 39497.18 101866.89 47684.69 32788.71 37712.94 212204.55 78334.1 43015.34 72464.11 34257.27 57961.84 88956.38 88215.22 87581.84 88328.34 88318.38 87246.36 87842.53 88325.94 87830.09 Proline betaine 7609.7 6894.58 8345.18 9529.12 9290.76 52242.47 16459.41 11373.46 10509.03 13250.64 10314.04 9173.22 9280.39 7415.97 8154.07 19762.51 8659.31 7518.15 11401.78 12256.76 9831.26 39973.86 7951.39 8532.3 6920.63 7865.11 9089.53 14385.1 10008.24 5221.02 8862.98 14273.96 5823.88 9747.69 9072.91 7255.84 7100.72 8518.17 8994.22 7305.44 10013.77 9688.56 9777.47 9312.03 9548.94 10288.98 8338.52 12199.25 9191.21 12115.95 7363.21 6870.06 9706.29 9148.72 6129.5 8036.15 6063.58 7723.99 7048.15 33242.43 6517.21 7624.94 6733.73 7133.17 8390.32 9218.77 8810.84 8828.51 8710.96 7697.44 7254.4 8893.44 7561.52 9767.62 8814.17 5227.48 7236.19 7020.08 4919.83 7919.77 4291.81 3538.34 5624.92 4849.82 3793.46 6810.62 2962.94 6206.15 5521.11 6540.64 6868.75 5629.25 3994.25 8390.98 6537.68 6350.53 5374.56 5956.61 6119.99 6145.31 10837.65 10859.27 10865.29 10793.03 10880.1 10859.41 11227.65 10712.7 10896.79 Levosimendan 26118.08 95451.52 36776.21 52888.49 31946.56 83882.62 15725.85 14048.92 19436.17 4191.99 1958.33 1996.56 13670.98 2011.77 52139.7 12740.9 23832.75 29508.49 94030.29 85198.39 13797.58 54693 50209.6 894.4 13101.2 1490.45 951.93 1201.59 37608.56 4661.37 11239.02 9222.61 31414.21 50804.16 47670.97 7241.52 16856.17 15365.77 1911.36 24050.66 25350.04 8719.5 84938.95 4721.77 14134.54 11089.01 122191.98 104053.82 32642.44 16830.59 4487.77 98069.55 69824.36 21910.93 20316.94 66458.26 29382.78 28537.77 30711.11 24504.33 2954.34 59547.48 49345.93 57046.43 52271.45 11447.58 80618.6 7915.41 9215.55 18104.65 48243.7 4377.55 27277.88 48917.12 13775.21 35464.43 34600.01 34640.99 34903.78 34486.84 34899.94 34866.54 34861.6 34907.15 Linoleylethanolamide 2112.24 676.11 10624.82 5866.89 9890.07 14645.94 4187.64 1935.66 1410.8 977.63 2632.81 5367.3 19747.01 7863.24 4215.54 23478.9 10826.56 6188.73 5825.65 17855.74 4078.11 5391.46 3724.02 4414.6 3591.27 1867.38 3399.33 2964.26 6363.4 4657.05 2958.71 11895.55 3600.42 8396.84 5726.28 2463.68 1853.39 4744.36 4361.26 4712.14 10135.01 2618.33 7071.61 6017.36 2187.89 6958.24 3577.49 8643.71 2242.33 19853.16 5335.39 6016.04 10701.45 16334.13 3924.78 10047.21 34913.71 12284.82 4218.74 9224.79 10107.12 7889.78 3114.32 6135.51 9913.6 13064.08 4325.18 8932.23 4976.48 2556.91 2895.66 3563.18 4235.3 11188.51 8918.09 8181.79 6510.35 6462.95 6195.51 6617.33 6319.9 6962.3 6846.55 6892.18 7344.86 7557.12 7267.09 7775.18 7643.82 6410.57 5931.78 7286.79 7503.77 7220.74 7003.3 7381.89 7375.2 6421.56 5363.5 6505.59 8360.65 9775.84 11871.01 10261.92 10315.24 8847.02 10112.8 9435.58 10055.24 Polydatin 13539 10735.74 4348.7 6385.49 6910.14 7423.4 9938.64 10398.01 10717.82 12720.1 8662.66 6682 6434.48 5171.59 6836.89 3673.61 10481.37 5465.17 2309.12 1569.44 6056.8 5522.93 5890.18 3954.05 2543.71 3170.25 9234.65 10135.08 4601.36 7050.75 12546.46 6671.3 10558.12 4554.31 10394.33 6578.33 12405.45 10724.77 8838.82 7124.07 6328.16 11325.58 8405.21 7361.08 12644.57 8722.99 9691.22 3638.96 8416.1 3349.76 10079.09 10212.28 8267.98 10301.97 9663.55 5908.99 5425 10539.98 8487.56 5949.5 1112.88 6913.14 8883.35 9142.63 8092.17 11576.31 7482.5 10019.72 5394.65 10444.29 9269.01 7894.73 9136.3 5837.26 7761.1 21545.26 28116.34 16890.26 28930.31 17109.55 22650.03 21169.84 14131.22 17440.1 35669.99 21650.44 18373.51 20635.13 13254.69 16723.17 18873.98 33286.97 41118.7 11007.65 37249.67 20537.7 41014.55 38015.24 28566.97 28698.75 8972.88 8696.32 8962.01 8965.07 7547.73 8957.56 8690.87 8969.57 9004.75 Thr-leu-ile 2816.89 3059.96 1717.66 2625.4 2770.49 12059.83 7440.62 18828.28 20451.32 7436.2 1894.73 2456.62 5017.8 2656.03 20610.76 3094.51 2236.87 6876.62 6224.29 26357 7032.14 7254.71 2040.9 1824.79 19485.29 24985.3 1488.55 2675.54 15326.44 5497.07 2232.55 7378.88 14771.86 13377.86 3398.94 13677.49 10998.07 10501.71 4181.94 7446.12 4186.94 2339.36 10427.06 1684.58 5955.5 7040.28 11942.68 3573.34 4434.05 2691.72 4831.76 3110.04 7173.87 10071.43 8570.17 4440.03 2072.17 4468.84 11306.27 6095.07 3578.69 3373.1 9425.37 6670.87 9172.64 12431.19 975.9 1306.23 1905.03 15977.27 17625.66 5040.66 6968.21 10400.93 2832.63 8959.28 8707.63 7088.03 8410.21 8717.15 8393.86 8707.33 8387.23 8371.85 Risperidone 68560.93 70404.38 79915.39 78383.92 52113.34 57886.93 114300.75 133517.68 63373.98 73043.56 145823.25 65701.88 61851.31 80934.31 59026.83 60912.97 65264.55 65710.88 70979.75 50067.19 97033.68 59045.24 71357.44 76682.51 69720.87 61262.09 85127.88 78304.45 57280.24 78497.71 62166.85 60893.54 52354.75 83184.64 78744.52 65719.79 65510.74 68174.67 84857.49 83790.06 63605.02 56006.03 76725.91 78570.9 61001.4 70688.45 55302.4 69355.09 66837.41 59919.34 64547.68 73575.88 79950.93 76771.52 102086.89 72378.65 87551.02 85518.99 56135.68 72700.08 77827.59 81819.6 69826.37 71787.74 80084.6 67230.61 61398.07 78175.28 81818.99 63893.35 61812.1 77938.62 69551.72 66827.04 73071.8 92315.68 176534.68 92744.01 94610.49 97144.87 94418.53 93210.37 94364.82 102773.71 91721.19 93854.59 92629.73 93034.0 92380.87 96767.46 81616.73 93923.74 92551.09 90976.26 94596.38 93726.54 91264.06 92341.78 93767.68 94439.13 66151.12 66708.03 66440.4 65708.04 69005.51 66706.47 66700.71 66152.53 66713.41 (-)-Arctigenin 1633.35 3113.86 5706.64 14939.96 1970.2 516.74 3103.29 1784.32 5615.17 24469.52 1821.35 707.09 5080.4 4677.93 580.35 406.6 26019.63 3772.26 5831.24 930.65 4537.74 703.59 1935.77 2775.47 3615.67 1913.22 848.29 2219.17 4049.39 503.68 3788.67 3066.01 2149.95 1238.48 3200.28 844.27 2667.04 6130 4104.83 2082.79 1092.97 5671.76 2120.69 1746.21 2230.62 2315.04 3037.16 2333.37 3904.65 2574.88 16607.38 6048.61 2570.98 3622.51 657.29 6425.99 61207.8 2775.87 11950.4 885.68 2843.19 963.57 1948.44 584.68 5161.97 4913.72 3867.84 7140.24 4115.52 900.77 1731.47 4358.2 1839.24 1699.54 1453.97 2888.73 1203.6 2842.44 2131.15 2796.13 2563.99 2872.39 2846.72 2911.88 Nimodipine 18356.45 18287.99 13593.97 14296.6 12651.41 9865.15 11935.71 17686.28 15071.86 12538.21 19843.77 11845.09 9229.6 15130.58 23104.17 12684.04 16591.15 20145.87 10607.97 16230.07 17320.8 13573.42 13875.39 17551.56 17870.09 17859.47 14270.83 16594.99 16713.8 20194.54 19625.77 11503.12 27139.06 12358.78 13949.61 20655.41 19372.8 16501.45 11879.07 23380.51 7225.74 9891.55 10149.56 13322.11 5461.82 2663 12686.34 11222.82 7526.14 6555.68 9660.93 12538.16 9929.5 6281.91 9948.5 14050.01 11847.24 12466.45 14955.56 14828.47 14626.33 7470.72 13412.99 10965.58 11169.89 13659.88 12174.02 12089.81 12212.32 16025.94 14482.64 12544.84 12457.29 8880.74 8703.15 11931.12 12086.57 12198.26 12203.19 12198.22 12091.78 12094.67 12237.37 12416.54 Mirtazapine 19252.62 10965.57 12615.47 554 6976.48 8866.68 11120.59 10631.21 7790.91 12541.46 8366.66 8310.53 8002.02 10089.06 8896.86 12358.41 8300.32 9137.47 9609.87 10633.83 11745.02 8097.31 7178.32 12999.03 12996.12 7753.57 10699.06 10362.99 8804.02 25583.93 8481.69 11033.9 9678.11 15636.72 13955.69 9036.01 12454.49 12000.24 14232.78 12741.4 1486.73 13577.94 12704.95 12637.87 11349.84 12740.88 12417.24 11874.44 14580.86 11002.84 13147.31 12783.16 11544.27 12764.93 15400.31 11571.04 11652.41 12319.99 9247.99 15110.45 10201.15 14022.2 10559.9 12152.15 9135.63 11029.24 7297.34 10679.6 10973.47 11363.49 10405.95 13056.69 8095.05 13130.48 16173.35 14524.85 8683.75 14632.08 8607.48 11786.74 9865.36 9659.32 6599.46 7789.97 6805.65 8193.39 7563.71 5388.89 11659.68 10758.7 12081.53 16735.39 20732.45 10498.08 11959.52 13944.39 11878.32 14596.77 11422.63 12146.07 17528.2 17845.81 18081.85 17883.83 17522.17 17535.91 18330.63 16164.77 17367.1 Cinoxacin 9180.35 2710.04 769.88 987.95 2797.94 3962.82 1742.74 10363.48 10418.84 1767.37 2107.09 4251.29 1748.24 2038.17 6864.63 4535.91 1880.86 8652.57 2635.99 10851.23 8190.49 2492.05 2025.8 1870.71 10279.55 6101.66 2178.88 2039.06 9578.54 9211.09 10953.14 4964.06 3901.83 1478.77 1465.18 10167.95 8075.78 2718.42 562.68 4339.34 10650.63 10125.97 1540.11 1536.54 9562.47 1457.76 10967.41 443.58 2647.08 2941.61 5416.69 2179.52 1482.09 1918.29 6416.17 1918.85 910.39 439.14 5783.79 2587.64 877.79 1147.31 497.7 873.12 4467.02 8967.13 5500.68 1815.86 676.8 8268.53 9984.05 2069.47 5143.71 1603.89 1409.61 3924.24 3480.54 4171.91 4648.54 4112.87 3204.19 3240.36 3438.09 4752.52 3130.64 3236.94 3231.8 3283.79 3533.58 3156.34 2880.16 4222.79 4063.77 2995.82 3525.19 3297.18 3122.55 4837.92 4310.66 3477.09 5154.89 5058.13 5454.29 5149.41 5061.05 5098.59 5153.39 4815.45 5059.48 N-Phenylacetylphenylalanine 3993.4 63036.69 38787.38 32473.6 6661.19 1309.4 41703.6 72858.45 65814.88 62090.17 52155.85 31295.14 17731.83 41196.36 74286.79 52164.89 48797.9 54115.79 34272.5 57094.7 68673.58 52075.67 47282.07 40573.28 61865.03 73280.27 53349.32 63039.32 60358.5 39281.57 56903.01 40381.92 73819.32 46672.48 43702.1 56558.15 63614.02 57176.65 45957.15 59242.33 57045.29 58795.48 63182.62 47389.95 58898.87 35880.97 85491.65 39543.88 46424.27 39056.53 45933.32 52358.23 45015.46 31449.58 36468.61 62080.52 51774.22 45871.69 67954.17 46838.94 41149.73 52879.21 54623.8 40381.66 47343.67 47077.6 67972.46 46290.09 46955.83 71415.51 62181.97 54614.4 53848.41 40462.53 39326.35 5240.28 4965.36 3168.65 4326.1 2555.31 6383.68 7501.05 6132.19 3943.79 3569.96 4141.06 7673.96 4396.9 7874.3 2551.43 6560.7 2773.22 4592.57 4391.62 7984.96 5964.21 6719.5 5446.31 3611.72 4647.69 52756.36 52849.64 52759.12 38666.87 51834 52758.8 52726.11 52662 48897.92 Tropate 30438.51 15326.78 3801.73 5482.74 27805.67 14475.02 10700.35 34914.06 32049.01 19017.44 8238.24 13233.44 7362.43 9851.11 21210 13708.74 9451.69 18963.1 18980.09 33309.57 25502.16 7877.72 5858.41 7945.04 29162.21 17885.82 11800.47 16075.97 30756.9 15729.08 30161.15 21296.64 15624.11 7853.7 7215.52 27702.14 24133.67 10459.06 10571.56 10920.58 27458.52 34283.49 7090.09 8330.98 24302.33 8938.15 30307.43 14305.53 21319.47 23581.54 22712.08 12349 7148.6 9208.35 19072.59 11977.28 4340.82 3989.43 22766.45 7350.87 6513.26 6143.39 12150.17 8020.33 9755.48 22668.61 17899.58 13094.24 14857.09 24061.63 27872.87 15652.56 14961.48 6679.85 8938.6 17622.36 17912.14 17807.76 17757.57 17796.94 17793.05 17835.28 17756.5 17762.24 Dyphylline 905.75 615.05 757.19 1137.84 4514.93 8811.62 2894.71 1802.12 1646.65 2461.56 230.24 396.25 1635.33 1671.72 2150.11 229.1 707.13 1379.81 1002.79 1015.2 1742.73 76218.02 1207.19 934.67 2821.28 1962.67 341.86 216.03 741.11 1211.23 1880.31 738.7 1361.65 699.74 694.11 2261.35 1221.11 2071.06 992.27 1002.65 8167.05 294.05 738.1 2573.79 2531.58 1930.1 1489.28 1924.81 1507.94 1729.22 839.38 1874.58 782.41 1267.21 1259.03 621.88 430.4 715.09 1446.11 2924.14 992.88 6275.72 1373.14 902.28 852.96 4648.78 1452.59 1685.28 3118.39 1421.23 1247.74 482.19 926.78 929.6 5744.73 6543.0 5820.47 15693.13 38338.3 14216.52 8233.09 14290.28 6904.13 5712.16 11257.66 5761.53 5863.26 9980.87 7459.25 6934.86 6720.31 10655.18 21703.43 7364.21 10879.0 12795.99 14648.19 16542.93 13171.28 8841.82 3485.46 3437.73 3499.99 3439.41 3423.49 3486.94 3498.76 3442.38 3666.25 Cinnamoylglycine 1208.16 3304.61 3520.3 4118.88 2061.32 3111.35 10628.98 994.19 1261.76 1577.61 6201.88 5046.43 7140.4 5045.99 2491.65 7447.68 5063.78 2567.29 3897.84 887.78 4371.96 2229.46 4940.7 1890.02 3218.98 2424.72 6312.09 2370.88 4779.82 2771.67 1068.4 8046.65 2780.82 9794.99 4410.61 1828.05 1157.13 3670.68 5541.43 1340.87 1781.83 8040.46 6171.5 2027.11 1184.44 3764.94 1625.18 6013.93 5486.29 7373.02 2966.53 1794.27 5061.03 8035.57 2613.9 4100.2 1704.89 2297.42 909.9 2462.23 4434.47 4806.97 2718.36 5817.81 4017.71 4020.44 2384.38 5091.51 3185.16 1320.11 2967.32 6070.33 5925.81 4662.61 3957.34 4022.04 3878.16 3686.28 3903.7 3957.28 3910.56 3864.7 3977.75 2618.61 Ingenol 276.63 500.52 177.69 4470.98 8528.33 11103.67 9785.65 217.66 723.2 141.67 310.7 502.55 4401.44 340.55 1202.46 532.55 264.97 823.91 181.64 6541.99 226.28 1478.76 179.17 209.34 351.01 255.13 775.99 456.12 587.81 158.07 748.48 186.22 754.61 218.7 190.85 411.66 155.23 803.55 355.48 765.11 5073.65 548.99 340.88 316.47 1101.41 5672.31 1284.99 413.91 338.75 389.46 560.23 294.27 170.98 217.69 804.66 664 241.43 393.62 265.34 2916.3 458 912.43 236.75 495.26 529.56 701.69 841.1 146.66 517.83 365.38 1218.29 460.42 285.24 1207.74 1063.21 1980.03 1974.66 1973 1971.66 1913.54 1909.79 1916.15 1838.1 1971.97 Pentostatin 10431.08 9358.78 4696.16 4946.13 20086.84 10262.06 6862.55 25580.81 11655.92 6820.17 4939.55 11797.32 9584.25 8267.71 13105.9 7901.73 6199.05 21507.47 13380.17 35745.43 24596.73 2040.18 4938.61 5221.11 19262.74 14385.62 2927.17 6488.11 18569.72 8720.23 35610.73 19279.73 11887.82 5861.83 4358.83 12151.12 13961.35 7372.94 4931.11 3092.89 29580.57 21921.04 5084.36 4799.99 23966.12 14536.77 18248.85 10592.2 8194.62 13312.77 12943.75 12464.81 6312.47 6417.68 8959.52 12540.4 2955.26 2196.96 12131.41 4015.55 3579.1 1500.14 10551.18 4572.65 6948.27 16062.47 19719.62 3654.24 6222.78 16087.93 12864.4 5704.95 6802.63 6344.51 7458.56 13362.79 13046 13384.04 13134.6 13127.36 12989.81 13389.81 13579.49 13378.54 Pantetheine 21307.39 24575.67 32782.17 15892.17 43631.27 28214.55 31851.95 23342.69 26498.45 26469.62 24292.43 33748.44 68497.02 27856.73 55130.79 37017.83 33480.6 15678.2 67123.95 24564.94 22127.57 32886.7 21044.72 23524.97 22719.43 24868.96 46593.03 23536.63 35123.02 37262.55 20838.1 44121.91 16089.33 34783.17 22142.95 27824.32 21021.23 17047.41 25146.11 25266.65 34120.76 33776.83 32288.67 23086.86 32679.52 36667.22 37359.7 30567.02 32798.01 72863.91 23646.86 23292.83 24219.37 32145.83 36867.67 18507.55 33556.53 6667.66 18873.38 9060.12 19730.1 20504.67 19927.08 23243.62 17610.07 23301.97 30455.17 24930.23 21352.4 17549.44 20561.35 28148.07 24100.01 35126.95 33589.29 4689.54 2614.74 4723.96 4318.98 3671.51 5795.41 3911.73 6731.49 3856.78 4865.11 4774.42 7073.69 5956.82 4103.76 5051.29 3746.23 4471.28 8540.36 4429.71 4730.26 8877.18 5878.47 4465.84 5395.42 3263.01 25438.86 24595.35 20879.6 25101.42 24571.02 24516.5 24744.52 25238 24527.5 Etonogestrel 15966.2 23112.17 5999.65 10977.72 29768.64 15183.57 10693.15 18082.99 15574.95 12138.51 11396.26 24401.46 13970.85 12010.71 21418.02 27049.97 15394.3 15072.66 26317.06 29223.92 1447.32 5231.31 10404.4 16605.03 16592.57 8062.71 10449.89 10942.61 20729.15 11442.17 13278.19 33032.94 15192.94 12539.19 15722.03 13826.82 12325.21 18904.74 13197.6 11690.5 17556.79 29486.81 10482.62 10663.64 18982.6 11862.56 8904.25 21607.92 7954.27 19532.31 17735.28 16028.35 11482.26 16317.9 17386.41 19726.28 993.63 4974.68 15078.2 16317.01 13438.59 13437.59 16948.27 9052.25 7079.25 28936.24 24937.9 14599.11 12246.28 16675.52 13032.65 11968.7 7246.56 8025.54 10489.93 18631.41 18607.14 18880.55 18743.92 18539.15 18602.21 18925.93 18936.45 19712.12 Droperidol 12483.61 10371.99 1854.58 2326.42 5865.99 2278.9 10113.83 7986.15 12320.79 7481.29 6779.22 2070.04 5554.42 8447.36 3030.68 1606.08 5630.94 1999.54 10376.36 8767.59 7671.5 2946.59 4513.62 11980 14211 14703.53 2500.15 10796.88 3558.3 1680.21 3685.41 6972.37 2814.15 7666.14 12167.81 16506.45 11785.72 5266.9 6957.53 9478.91 19217.61 8673.27 2799 5912.03 13610.91 7541.24 11994.59 9808.58 6294.85 15015.04 2227.68 12345.4 5964.47 9865.94 9037.17 10976.2 1711.85 4784.89 12858.19 4957.12 3431.82 2442.62 7334.04 7602.87 3576.45 5660.85 10620.31 8244.87 6318.29 8758.28 8919.13 10522.48 6643.69 1840.13 4903.52 9328.36 9679.75 9661.32 9706.85 9595.16 9351.06 9654.57 9292.54 8867.74 Aflatoxin M1 27453.62 65287.89 48830 81008.88 59640.72 67498.99 104315.77 41351.67 14196.11 64388.36 34693.88 73913.95 102295.31 80356.77 62186.15 45919.68 50231.99 38436.36 114533.34 13444.99 6505.9 60200.78 60938.44 105362.7 4322.96 16543.74 96855.89 63333.89 85018.54 2093.15 13727.35 66118.01 52383.43 69793.99 78819.3 70159.48 33327.19 36305.76 78053.29 66358.23 11289.42 45858.61 89021.06 57394.43 37541.05 55188.5 39682.88 127424.32 66178.21 57724.95 27936.05 64523.18 77798.9 83395.75 36911.66 64577.52 21932.67 35608.84 34772.98 34992.99 102106.83 116151.19 29450.45 43391.24 41479.68 78688.86 16593.68 73939.21 55706.78 29357.47 28799.42 70252.12 24787.47 78901.66 60044.28 57403.33 57189.49 57160.77 57194.17 57126.51 56978.01 56824.88 55446.86 56994.32 Acetaminophen 2046.56 5241.87 6915.19 8431.17 6878.62 4785.47 5451.04 3369.12 1393.74 4860.47 3793.32 5561.13 8456.24 4308.34 6710.16 6047.23 5098.34 5387.13 7012.42 1362.04 3697.82 6185.71 5957.62 4665.2 4899.58 4830.32 4421.95 3196.81 4523.81 3748.24 1484.47 5161.91 5100.58 3693.22 3785.42 5494.65 3788.22 4202.11 3819.05 4498.97 3559.73 3983.71 5182.56 4260.73 5364.55 1473.08 4094.11 5210.07 3389.58 6062.31 3310.7 3523.97 4761.54 5410.14 5117.93 5091.06 4761.7 5270.76 4141.15 4786.89 4853.11 6018.6 3955.15 4355.89 4184.11 4632.47 923.83 4695.43 4525.85 3374.32 3039.01 4229.07 3560.49 6104.15 1141.47 4081.28 3344.91 4310.03 4839.18 4063.37 3966.71 4109.8 4096.59 4341.77 Ornithine 1114.06 1466.31 1031.99 1952.94 1403.74 2474.94 1418.2 2178.27 1688.36 2188.31 466.32 935.97 798.64 2501.61 768.1 1427.31 2017.25 2790.05 2921.96 3098.15 1645.1 3078.54 1243.41 1922.92 1138.27 1108.81 1365.07 1498.29 2878.24 2239.91 1623.09 2059.72 2453.02 632.91 1915.75 2217.81 1892.17 1182.67 1310.33 2135.69 2589.31 1801.86 510 1600.97 2293.68 1139.28 1073.55 1929.63 1161.21 3011.53 1750.89 1751.19 935.17 1078.7 1224.17 1300.12 3645.66 3607.16 1612.03 1652.52 2721.58 2227.13 1744.25 2255.7 779.34 1252.98 4452.48 2350.82 2121.81 1806.22 1633.35 1482.88 1135.86 1704.87 1293.19 2097.15 2141.12 2021.64 2213.71 1809.48 2144.33 2140.49 2112.69 2043.77 Menadione 1563.19 2823.89 1739.78 1276.86 1615.58 1342.15 1027.88 2246.59 1187.19 3410.76 1290.54 1416.54 2601.54 2670.38 2652.96 763.74 1105.21 1983.2 1566.42 1117.01 894.23 1285.21 2228.65 2120.34 2490.63 744.78 3076.49 2500.7 2272.86 1651.14 946.25 1615.32 2324.06 1079.56 807.98 2290.74 2212.45 1413.69 2679.41 2849.97 880.92 1080.57 1784.5 1969.7 746.46 719.29 1051.7 3154.81 729.81 792.66 647.78 1032.6 2063.6 2031.15 926.34 2429.89 2261.23 2418.48 1591.84 1680.49 1493.69 2315.16 1714.1 1391.72 2419.58 2498.56 734.35 3037.58 2973.71 1718.08 926.36 2578.55 2339.32 1589.04 2176.03 1564.71 1601.37 1656.16 1617.19 1449.49 1629.36 1552.67 1613.9 1557.72 Sulfamonomethoxine 15943.02 14102.69 16536.18 20566.61 17257.46 19677.47 24611 17240.74 14494.1 19960.37 22267.11 21528.18 19860.32 20008.35 14587.84 27305.33 17131.58 12496.7 26280.08 13386.9 14073.11 7346.56 17428.53 22210.87 15889.85 14473 24749.55 25728.42 17529.56 15794.8 12515.41 28279.57 9193.1 24555.11 24013.14 16201.96 15560.76 15467.29 24476.3 23527.59 16335.31 24538.21 26669.43 17456.31 15722.32 19256.81 13083.84 21357.84 21562.76 31531.71 18003.71 14677.72 23329.45 30160.03 12744.39 13092.98 13445.84 17203.24 13884.32 9282.84 18901.56 17860.54 12901.79 19894.31 18097.33 16680.44 16029.53 19943.26 21890.36 14334.75 14153.69 21831.3 19489.36 27540.48 23681.26 7640.13 15723.83 7872.19 8735.41 7518.8 6885.17 7013.18 7168.86 6926.92 7189.61 7738.7 7811.72 6835.75 6492.2 7120.25 6770.14 6692.36 7067.64 7267.95 7144.97 8175.46 7794.08 7891.27 7760.36 7509.78 19691.57 19604.38 19605.79 20148.36 19603.54 19849.56 19615.74 19610.21 19869.68 Bufexamac 1188 8961.23 5456.13 4279.71 1874.47 10209.21 3408.14 777.8 976.79 937.54 2702.92 2777.24 1315.42 2855.33 8024.25 5513.17 4865.03 1424.35 6531.12 795.77 1005.58 2628.68 2049.09 3770.83 800.11 6983.89 2924.18 2907.78 2340.42 527.27 701.6 539.42 3823.05 1006.34 4454.58 3223.09 1183.75 7386.38 1453.25 530.46 1386.67 1460.58 5286.08 3266.92 4059.61 4649.11 802.27 4139.22 2368.66 5765.94 3240.17 6745.93 5757.55 5615.29 850.32 9498.53 3778.84 3830.26 4969.52 7353.07 3314.2 3350.36 3743.79 5165.94 3851.53 2920.29 6468.24 876.99 622.47 1374 2787.18 1074.83 2633.52 6211.1 5500 3801.05 3837.68 3988.23 3849.72 3631.39 3832.26 3844.07 3730.83 3751.73 Propacetamol hydrochloride 2474.65 1268.83 644.58 1224.15 966.08 1885.35 3539.95 845.74 1310.64 3604.95 1730.09 2962.21 2261.52 2436.16 1978.09 1696.7 2594.36 1296.27 2896.98 1443.01 643.28 1602.03 1834.79 2205.41 663.62 2008.36 971.23 569.79 3026.82 684.85 1338.94 2717.66 847.21 3647.74 1456.43 795.15 1489 1485.99 1637.26 886.47 713.81 1766.84 3582.81 2366.46 666.21 3882.71 1355.25 1908.83 2420.88 3795.27 1257.47 1123.78 2323.1 4778.8 1544.7 639.67 4165.09 2431.65 1137.85 1036.33 4538.27 2638.36 1729.16 2334.5 3650.02 2757.59 678.8 1242.66 5076.53 527.1 570.75 1392.2 4814.03 2589.1 2960.69 1629.19 1804.91 1703.23 1777.18 1866.92 2096.87 1895.45 1724.83 1431.28 Diclazuril 4441.38 5694.25 3323.28 1547.02 15828.63 15472.96 7583.16 2507.2 5683.33 9020.15 14736.52 12833.89 7782.12 14487.33 4593.14 9736.96 15381.16 7936.76 14104.06 10891.28 2034.42 16057.28 22630.74 7977.19 5286.99 7182.7 9654.7 3685.34 6124.58 10247.49 6244.74 17190.2 5646.39 14848.14 7544.08 3926.67 8522.63 9338.93 16672.31 8686.5 17780.46 15941.19 20377.91 16179.84 10460.47 15373.39 5992.2 12146.27 13164.56 12390.46 12553.51 7228.63 12869.3 9083.46 4162.52 4882.7 14256.26 15021.02 6813.96 10744.45 7547.13 17178.07 4784.32 9585.04 5699.03 9653.62 5395.32 7631.98 8037.37 7127.86 3215.3 18820.87 11536.1 21973.4 11261.27 12695.41 11833.9 13415.68 13353.65 12522.31 12387.49 13486.59 13354.33 13152.45 Estriol 1452.54 1134.38 1551.08 10633.11 27389.09 20400.29 15060.03 1172.39 1128.03 689.9 1098.52 1234.06 7213.2 1637.09 1986.99 4852.04 2160.64 1981.4 1978.31 1319.7 1567.03 462.8 1594.32 1642.46 1010.31 970.25 2242.17 2406.48 2132.54 1744.45 662.15 2256.99 553.29 1671.33 1565.06 1082.74 746.83 1320.7 1174.18 1006.24 8013.09 4072.84 1795.66 1369.84 1718.85 16803.12 1234.37 1237.33 1208.83 3307.87 2530.77 1506.34 1369.05 4496.98 5632.2 1948.14 1361.52 1601.21 1296.54 2382.28 1766.18 2562.78 1645.34 1957.92 834.02 2483.05 1745.29 1324.63 1609.67 1082.88 883.97 814.41 1150.98 3270.49 4381.94 5522.22 5333.74 5508.87 4951.51 5530.01 5527.02 5331.39 5931.67 5323.18 Quetiapine 1002.86 957.49 4250.17 1508.74 441.54 820.01 3791.4 4032.62 1817.6 2981.22 1831.93 4178.42 4963.61 994.02 785.81 3880.89 4126.77 1035.85 1175.86 885.77 1342.66 3217.43 544 4988.56 1556.79 1418.43 4373.63 620.16 1394.03 587.25 1648.53 2335.22 2123.22 6969.5 5258.42 2172.34 2987.64 2706.79 5062.32 5933.52 4508.14 6935.41 5659.86 3588.39 2251.02 3464.44 2856.78 6309.35 4811.54 9149.22 2154.78 2345.59 5120.69 6325.33 3157.11 1407.38 6283.73 3758.66 2035.09 44447.13 4704.86 3735.98 2418.74 4538.86 2851 3506.89 2155.49 4889.44 5275.61 1821.96 1861.23 3749.73 5030.6 4838.43 7415.73 4659.65 5514.2 2924.44 4163.87 4401.13 4650.59 5173.1 5016.55 5098.35 Sulfamethazine 30517.38 26399.01 13513.97 18939.6 21157.96 30199.11 36338.97 38820.36 35765.57 40336.78 31730.03 36912.64 32303.37 39927.6 36628.17 34356.81 25472.5 33974.38 33800.51 26349.7 29949.22 19731.11 24008.82 30037.61 32011.61 35202.08 33734.85 36343.02 34029.87 17990.66 35082.06 33976.68 26753.98 26608.83 25012.6 37935.82 35635.51 36459.95 39539.06 12950.44 39330.53 40902.54 29891.27 35123.37 32135.34 34232.77 18732.67 36282.94 38246.45 41622.52 36277.1 31450.1 10246.14 33899.53 34159.6 32902.22 16465.91 6887.91 29139.98 19997.84 23397.99 12487.61 36100.04 27940.8 28421.36 36703.59 33283.33 39300.93 37708.49 34442 37895.11 41446.09 39282.97 34296.05 36183.38 32057.03 32058.09 32196.7 31560.75 31319.31 31717.29 31346.42 31670.23 27391.21 2-Methylguanosine 2227.44 3683.85 466.11 634.58 8986.41 4944.1 1555.16 2738.82 3426.78 578.77 1524.7 819.78 1385.92 1732.18 2336.2 1909.98 1396.96 4573.25 2265.32 7035.95 2900.88 987.5 1228.38 1339.19 2020.65 2784.18 1501.47 1688.34 906.31 1102.02 5557.05 4367.94 2101.21 525.85 1314.17 4016.34 2012.15 2465.88 872.29 1057.36 6210.8 3520.15 987.45 1594.84 3724.14 4331.44 3286.35 2349.19 2100.5 5243.95 1315.03 777.15 1559.67 570.57 1297.5 2935.11 636.74 966.33 1957.08 766.51 1513.5 1002.95 593.33 941.6 1015.74 1016.56 1406.82 1460.27 486.49 2006.66 2597.8 1642.1 1196.03 558.37 521.72 1651.74 1933.62 1466.05 1907.34 1846.03 1881.33 2191.18 1877.98 1637.24 Gly-Pro-Leu 4713 5806.16 2239.64 1808.06 9181.89 9693.47 1899.55 3995.25 7075.74 3450.13 2621.04 2566.23 2905.58 2349.98 4762.04 4213.32 6577.4 4307.27 2885.87 7528.45 5404.58 4536.88 1876.03 3439.47 4521.93 5241.64 3578.41 2679.78 8173.58 1711.65 2388.76 5425.44 3254.27 3620.65 2187.44 7499.29 5613.81 4702.21 3137.32 2895.39 9472.82 7037.18 1979.57 3218.26 5727.94 2908.73 7010.45 3055.77 2551.08 5007.4 3929.61 3925.21 2334.83 5342.89 3221.06 5000.88 1157.35 2407.87 5935.45 3741.43 2545.11 2916.52 3969.23 3612.59 2898.06 5684.04 6775.79 2974.97 4145.66 5587.72 3250.26 3521.18 6666.72 1816.44 3560.98 4867.34 4918.24 4938 4443.48 4937.53 4940.15 4872.57 4872.68 4937.19 Dehydroepiandrosterone 4880.19 8795.36 2963.75 3519.21 11593.03 8428.36 3922.31 15067.06 7003.43 458.13 6624.1 7490.68 9476.96 9792.23 5994.68 4120.75 4575.01 9004.73 11453.47 2800.51 10247.28 1920.35 5945.96 8122.19 16596.67 7903.14 4491.3 3979.56 7649.52 1809.8 2378.75 5622.31 3474.6 8713.45 5250.07 12632.89 11829.16 5849.27 6019.78 3758.98 4769.97 9269.19 6366.12 4444.95 16123.15 7388.48 5543.78 8947.59 13518.65 11723.3 25741.09 11190.77 22127.37 8525.02 10186.17 10573.61 7134.03 838.29 9153.22 3489.87 14455.96 9700.66 10229.59 7660.9 3878.93 11157.38 6619.6 5413.9 2307 15130.59 6460.71 5317.85 9656.49 2765.16 5905.32 9692.35 10181.23 9544.07 9989.49 9546.11 10290.16 10258.35 10117.47 10187.65 Riboprine 1249.44 957.31 1519.71 34606.22 984.57 7147.28 3757.08 1426.88 149.23 1371.7 5019.08 5548.13 33567.27 1142.73 150.53 8975.49 406.59 2936.04 920.89 2998.85 246.68 2567.31 153.18 1469.65 380.07 2249.84 263.04 361.08 251.46 2229.31 265.37 6883.69 1408.25 2587.36 25347.31 528.45 1555.74 1948.85 167.48 1936.64 11702.69 2852.92 1562.02 265.22 2185.01 58267.71 682.45 1943.77 3789.48 5466.09 2866.95 593.03 2296.08 3311.82 1483.47 506.6 155.54 978.44 146.58 305.22 1609.95 1739.87 1815.39 339.99 821.08 5257.39 1187.22 1410.3 493.47 1373.97 428.52 1605.25 453.75 22207.14 4624.07 6154.69 6198.36 6087.3 6177.09 6216.22 6229.68 6200.98 6298.57 6214.71 Deoxycytidine 6604.02 5819.49 6644.84 5091.21 5830.16 3909.64 5046.5 3246.06 5057.95 4614.97 1552.13 3820.3 3660.97 5840.97 5226.57 4729.29 3981.38 4973.6 5503.49 4449.49 4249.43 3316.47 3327.84 5992.91 6147.6 5203.21 5533.19 6831.42 5715.43 5320.35 3233.58 5213.75 3713.35 5996.42 5055.96 4988.13 6043.12 4101.38 5470.9 6081.42 3569.3 2399.52 5029.71 4386.52 5280.54 4215.45 5487.38 4991.23 2992.44 4782.96 3526.75 4719.06 4226.82 4335.28 4997.85 5444.61 3196.8 4766.51 3440.53 3799.86 5091.82 4466.67 3759.11 4557.53 4228.24 5797.67 3089.53 6298.93 3658.34 5423.24 4463.07 5443.87 4415.61 4957.7 3127.86 5189.3 5127.8 5125.69 4949.29 5210.29 5120.1 5203.85 5151.7 5204.03 Gatifloxacin 9753.68 10232.18 7866.9 4973.94 15533.57 9825.84 2237.92 8091.1 14102.84 9256.65 4375.64 10996.39 5605.77 2461.13 24137.43 25784.76 1574.29 3866.96 13067.06 13512.21 8436.34 4763.84 2424.66 9774.87 14628.13 10541.56 13308.25 7776.15 17532.69 7504.73 15031.07 28751.5 8312.31 4495.85 2089.46 7694.24 1591.69 9415.11 2085.99 10159.99 10951.93 10278.63 13776.83 6666.68 9526.46 4898.62 12884.61 3576.19 2040.4 14888.19 3172.96 8930.12 5708.35 1908.16 1761.41 4806.19 8925.29 2867.75 11311.19 2338.15 4851.51 4721.98 10075.4 10024.42 10384.26 2954.91 8839.85 1791 12013.47 18050.71 10047.13 11629.13 7186.26 2628.53 4338.33 4638.15 4794.16 4672.81 4127.35 3921.83 4206.15 4401.55 4636.03 4360.99 Salsolinol 101971.38 136330.83 174938.8 151714.94 258074.95 190103.22 154450.82 300294.46 160707.52 119792.9 176912.05 168803.42 202618.53 212849.92 196712.45 232702.59 251218.15 101245.25 146375.67 111200.57 117494.58 47605.26 110820.09 228244.96 213047.76 93578.31 103337.46 116181.52 173000.61 16025.42 40576.17 107343.14 163004.4 212112.07 268619.87 86630.35 190501.84 140875.38 281344.11 309259.52 53219.61 73021.15 334956.04 183095.89 47068.99 196185.07 173576.59 148756.52 102835.2 123545.58 87028.68 162848.96 394012.25 307031.89 229005.2 174458.55 194836.6 396632.04 83880.25 83040.58 318530.06 121298.95 372356.92 602446.47 206168.89 233199.5 115377.41 130616.04 181558.75 235824.02 149018.02 120606.71 316865.88 268756.34 219733.27 178216.92 177418.19 174324.86 176653.46 176652.17 176979.49 176775.13 177343.27 176646.42 Aldosterone 9275.81 730.09 569.03 1398.32 3581.25 2634.6 15214.98 44572.91 59075.9 53844.57 43062.13 93006.62 42108.32 40480.56 26554.36 47954.54 15305.85 769.48 52208.47 3133.53 13202.35 18240.03 56105.28 40859.21 30891.71 1334.62 32306.89 54101.13 2370.6 44124.33 2527.71 60842.39 6194.28 104578.77 30560.39 27356.6 40991.57 2473.58 37942.91 25232.89 37350.84 68794.39 70018.57 33681.72 27615.78 42404.67 32485.86 67921.79 64452.67 94541.65 48832.76 27952.45 39712.42 82335.88 27898.9 17014.81 21465.73 15546.99 31325.87 635.44 25775.09 21023.12 30257.19 44066.62 26201.27 39098.39 38758.55 43902.59 70736.7 39777.57 25008.86 36207.86 36873.82 18966.37 27775.06 4760.54 4586.4 5190.02 4534.39 4906.37 4887.18 5243.17 4657.4 5254.52 4962.44 5455.08 5152.77 5044.75 5527.37 4987.18 4493.32 5446.88 5284.68 4911.36 5298.52 4975.62 4970.34 5026.37 5443.27 5280.64 43886.42 42513.51 40413.52 42845.46 42597.87 42875.28 40366.49 42994.18 40934.69 Glutamylglutamine 10972.44 10410.23 9598.29 3604.68 6828.9 11628.25 2521.45 15733.59 14264.58 6615.7 7403.34 8105.3 6766.65 1873.35 11002.58 8476.5 4745.12 12056.16 4759.07 21948.05 15195.52 8529.3 5710.62 8130.39 11376.92 11627.56 3615.85 10882.25 11452.92 5703.93 18441.57 6192.63 9490.05 3295.11 7620.26 9785 9392.69 13345.07 7869.49 3774.82 9684.48 14674 5661.48 6474.42 5520.71 9810.52 9652.38 6599.81 7362.23 8774.38 10148.12 6633.24 7464.46 8219.81 7477.35 5230.1 2729.16 5834.06 9150.82 4399.99 4970.97 2028.95 8791.69 7147.18 9042 6088.41 16209.22 5841.14 2159.26 11248.61 2814.94 7776.28 7295.2 2859.57 6531.3 9676.64 8312.41 8136.48 8526.95 8175.6 8323.5 8158.58 6550.98 8514.55 Molsidomine 20480.44 8603.38 1975.95 2605.32 20786.74 5749.95 1711 20456.65 18383.75 9152.08 2381.02 1755.24 2658.57 3124.48 12135.88 5161.51 1763.06 9928.29 6254.09 16490.08 12375.04 4289.11 4250.37 2393.77 17634 11039.31 5054.79 9382.11 20551.67 7516.09 16281.57 6607.01 3604.68 3376.09 2590.98 15862.28 13764.64 5319.77 5969.49 6519.7 14459.04 18660.94 3364.77 3677.69 13338.48 3884.85 17531.05 3752.82 11287.11 12061.88 13098.95 2383.3 2111.27 3249.45 9892.46 8670.72 1294.43 614.79 11893.04 1932.35 797.2 859.58 5785.25 3899.67 2963.8 12408.24 10005.51 7270.35 7295.61 14699.66 15851.99 10225.13 10905.74 3113.46 3715.28 7436.21 5435.43 7603.86 9653.32 6295.26 9127.35 7788.29 6060.16 9270.83 5247.22 6181.77 6902.96 7557.2 7060.23 6893.36 4427.95 6224.68 7993.55 5791.2 8736.05 9485.17 7534.46 7088.39 8646.9 6459.6 10779.71 10739.49 10782.27 10560.01 10558.64 10979.65 10556.98 10562.8 11539.46 Glycidyl oleate 1670.91 1911.04 9146.91 1253.41 531.42 5710.62 1277.42 896.61 1728.63 1249.11 969.01 1464.89 2503.14 347.87 2029.87 7920.1 4196.98 1445.71 934.84 2015.61 1322.67 1752.52 834.38 210.26 1368.25 2367.42 1440.11 934.28 984.35 851.64 1654.88 4378.7 2425.62 1544.32 359.53 1286.17 1020.06 3976.36 528.11 2273.02 3035.09 1335.84 1767.69 1094.64 2077.12 906.43 1614.96 1118.76 892.15 2179.81 401.47 797.71 1013.04 1220.44 1606.07 1580.53 41828.68 6253.13 1461.29 1169.46 3850.63 1464.89 4381.88 2705.37 1202.12 2741.25 1815.77 1285.02 301.73 1974.69 2290.59 1552.88 2543.68 3439.49 1526.92 3956.62 3943.34 3895.19 3937.55 3585.89 3931.32 3957.22 3956.81 3891.83 Phenylbutazone 5727.01 6527.8 5761.83 12462.84 6368.24 8034.92 19530.09 6927.2 10232.35 13039.41 12855.43 13061.1 20613.11 14621.65 9436.77 20928.63 15662.39 3956.31 26561.39 5846.14 4705.33 7457.5 11246.45 10331.25 6523.03 5416.31 14891.61 13912.37 7219.33 644.46 5129.08 16610.76 5660.61 16043.59 12263.77 7937.78 5667.22 6335.36 10072.42 9194.74 7346.91 13506.14 15770.04 7834.41 5477.35 13371.5 8635.8 20218.49 17726.47 20013.79 8229.12 7423.83 36092.5 17703.08 5149.17 9155.8 3981.45 6411.35 6541.32 1690.14 7408.1 5390.9 5069.71 13999.36 9140.88 7039.78 4166.44 14698.58 12894.67 5216.96 8597.46 16361.83 18840.89 15077.42 14713.54 12534.93 12781.52 12391.09 12771.46 12521.59 10180.07 13216.64 12571.31 12404.38 L-Epicatechin 7019.24 2056.39 4246.46 5738.7 9707.68 14301.79 8046.55 6999.34 7281.31 3482.37 2690.03 11747.68 10456.39 9748.97 3184.93 4862.83 2362.88 27821.93 19354.56 50042.38 4495.9 1931.07 1755.23 5438.44 1694.17 9091.64 400.78 5813.69 23454.99 8502.9 35262.25 29280.92 836.32 8245.18 5014.01 18132 7732.54 1250.45 5074.74 3801.57 41872.06 10155.01 4241.54 5661.79 39061.7 14177.1 23037.55 12813.03 9282.58 21434.16 5602.72 6276.75 2819.8 12709.57 4815.39 6191.74 4479.9 3503 6534.91 6966.5 3869.75 3173.33 4472.22 4998.34 5110.19 5858.96 8484.21 5887.26 8463.41 6985.71 8427.47 6978.75 4339.29 7821.87 6305.7 11910.47 11761.23 11806.05 11916.42 11763.54 11698.91 11358.98 12273.06 11788.09 Pro-ala 2333.95 12512.67 6574.79 7893.52 32550.19 9213.3 567.05 707.4 12573.84 7012.5 3212.13 4117.88 1450.93 1309.39 21626.99 13893.43 4474.96 13883.8 6291.25 11411.09 1735.06 6408 1573.23 5273.17 10714.06 10253.77 6771.84 1777.69 8842.78 697.17 4529.15 6698.32 10664.49 2761 4930.65 12975.65 8737.52 6189.53 1470.09 15832.5 1044.63 4963.52 10771.7 1370.28 7190.91 2028.51 9752.99 7381.83 2833.95 9510.24 1515.92 4635.91 3238.3 14409.94 8378.08 12257.15 9493.08 12611.71 11287.82 12440.7 6789.03 1148.02 10767.74 16492.67 16413.67 15155.8 2641.95 4883.38 7485.12 12542.23 9086.65 6715.88 4949.81 15894.8 1686.51 9001.61 9050.44 8858.02 8803.56 8856.82 8848.25 9066.06 9135.68 8842.91 Clindamycin 2716.81 9166.92 18507.89 2855.84 3645.33 2246.03 7847.15 2675.95 1556.23 28530.23 23515.65 1672.38 12349.22 9019.98 10434.11 14439.89 48657.24 1309.55 1172.59 3998.88 14246.61 21286.04 368.02 438.79 1814.02 6063.61 2081.27 12389.57 3637.93 1153.38 4209.55 1706.64 29108.02 5787.27 5618.63 8287.71 1898.64 22491.15 5122.55 5390.5 9433.62 11854.96 8467.39 27780.25 8445.19 12002.96 10631.13 4678.38 7576.96 16256.25 10067.19 6546.72 9642.1 912.77 4904.56 5497.69 27708.16 5623.27 14489.33 4842.3 7962.21 3149.55 12400.88 654.78 7983.31 13092.49 10396.97 12788.78 24699.51 1516.11 4887.33 15502.3 2438.97 11371.6 2876.86 11747.96 11137.71 12179.1 12262.82 12180.49 11771.54 12246.53 11885.62 11024.24 Ile-Pro-Ile 7485.46 6273.79 5849.88 11916.77 9702.33 16140.49 14554.11 7585.39 10777.71 7820.73 10567.01 18788.42 15455.69 13077.26 7847.49 17403.93 9339.01 6407.08 22561.95 10320.27 8344.89 2551.95 9693.04 13853.11 7751.98 655.19 13843.39 13356.32 9538.06 14270.83 8665.99 28670.24 6429.01 14936.17 11299.13 8782.24 7206.22 4999.22 11597.11 11411.89 9789.58 11663.17 13418.76 8693.12 8970.86 15799 10548.44 16601.89 14072.56 26292.88 7027.43 7948.68 12123.34 17174.26 4441.38 5126.58 3116.64 6112.58 7395.82 11382.19 9491.54 10380.2 4696.87 14037.4 10021.42 8615.32 9958.88 12813.8 11479.28 6847.46 7048.72 12421.71 11652.06 10496.33 15121.92 11439.83 11247.61 11295.33 11244.62 11244.64 11444.64 11452.41 11286.05 11451.28 Oxibendazole 8580.03 6145.9 7390.71 8843.89 4736.41 5880.29 1105.34 2970.19 8923.13 6617.89 723.07 4379.26 6090.41 6840.78 6329.1 5506.09 5532.32 4101.1 7513.87 5019.62 3717.09 2780 3781.87 7550.17 10727.33 9166.02 8334.71 5222.98 7690.09 3728.2 6533.56 4561.14 3342.48 9994.26 3918.81 6671.31 6354.39 3986.3 7459.14 5281.6 4821.67 4461.23 5923.52 6147.61 5961.67 4236.54 7947.44 6736.38 4394.5 5645.61 4326.59 5937.15 6448.89 3431.28 3081.3 6399.2 4883.16 6269.88 5930.25 4460.05 4963.86 4541.12 6769.42 7196.5 7421.68 7042.88 6038.48 6557.4 7685.91 4889.66 3795.61 5281.1 3964.75 3970.93 6615.38 6141.52 6139.63 6824.55 6289.5 6152.17 6182.84 6276.24 6097.07 6359.5 Psoralidin 10077.66 7566.53 12045.27 3124.48 1885.84 7373.16 2279.32 11723.07 10231.87 11712.17 13625.19 9419.8 3366.15 11901.61 4913.19 1527.33 5886.3 11013.24 10053.65 7933.13 11254.97 8497.36 9506.11 12412.32 9926.27 9719.51 19240.99 11451.71 10505.03 9482.21 18192.07 4123.06 9277.37 8811.51 11086.6 16728.6 10210.52 9946.07 11080.37 12371.71 2406.75 5468.58 10061.43 8344.36 12093.31 4837.52 9319.64 14226.8 2445.34 4954.71 9705.53 18231.01 10192.58 10495.32 8016.53 9567.21 10135.47 15221.04 9687.94 8529.78 11296.33 11511.12 10576.17 11469.32 13021.64 9188.08 9406.21 10706.17 9667.15 10475.83 9824.26 10750.28 6236.56 5290.86 6851.26 11147.2 13500.32 10984.89 11863.83 11176.88 10333.2 9951.91 13292.86 9509.01 9667.57 9663.23 8588.12 8881.05 9510.84 8425.92 10646.43 8066.49 9116.23 9099.35 9300.13 8836.26 11436.94 8357.91 8931.29 7463.43 7557.48 7558.32 7705.05 7435.73 7329.99 7694.63 7703.4 7565.06 7694.63 Naringenin chalcone 3367.3 1045.87 3804.65 654.53 701.58 889.79 1379.01 2932.26 2416.98 3316.1 4698.95 1770.89 899.41 1988.11 2001.01 873.28 1259.23 1308.44 1697.48 2697.65 3782.63 2501.31 3142.96 3052.75 3569.38 2153.52 1442.75 3879.37 1965.89 1277.03 1087.5 1800.34 2994.38 3527.49 1221.88 2234.06 916.99 2168.19 1574.94 1531.56 1143.61 3352.76 4474.27 2998.73 1125.93 2274.85 897.39 2145.16 1662.8 990.94 2849.45 2268.38 3325.55 2908.62 4036.83 2116.39 1760.89 1148.83 3618.42 4094 2077.63 2733.02 1405.81 2502.77 2856.15 1805.48 2277.5 2580.43 3806.29 901.22 2623.98 1742.3 2860.44 2380.14 1704.08 4000.55 5112.88 2616.74 3335.32 2143.84 3119.56 3987.19 2996.37 2953.64 3765.18 1852.66 3422.87 2315.66 2847.31 2486.79 2407.88 2484.22 2933.76 2993.21 3566.52 2901.42 3091.73 3083.15 2589.32 3641.35 1836.81 1821.85 1843.69 1773.42 1684.22 1910.62 1766.4 1762.01 1786.73 Ebselen 480.13 3282.78 4413.83 4780.07 1473.88 2969.03 1221.55 948.14 1159.17 2897 432.39 638.99 2144.08 1107.87 1260.83 637.7 1427.39 1074.13 370.37 12800.77 1118.83 2484.91 1950.51 1340.33 388.5 576.39 1358.67 389.68 1186 9530.01 362.87 565.15 1457.53 6592.31 2752.52 586.86 704.81 1355.85 1057.46 734.36 621.04 408.07 704.21 1163.05 419.2 1199.61 608.6 382.6 1046.98 814.83 500.59 5857.64 1001.7 1655.92 380.81 1732.53 2817.79 2805.16 956.16 3932.04 1972.09 5980.9 551.1 1291.56 1374.76 847.92 844.84 1493.73 605.5 561.71 1273.51 4105.58 1875.51 2473.78 812.21 1788.51 1759.88 1776.75 1503.08 1848.19 1755.43 1734.85 1737.27 1793.57 Raltitrexed 422.64 1335.51 367.62 1783.26 1460.45 3207.08 1227.06 1717.24 872.93 1567.85 1551.62 6017.16 401.88 1390.7 794.48 662.23 1829.58 916.97 8885 1118.16 1723.7 1183.73 1309.72 1951.26 446.16 454.46 1862.89 1419.6 689.86 570.78 1498.38 6451.62 1289.7 1122.93 1873.32 2121.03 1764.71 409.64 1737.38 1050.54 1784.72 1323.62 2147.8 1269.96 1820.92 671.21 3839.21 7174.73 8694.26 1788.62 2629.08 837.78 1133.31 1257.68 1331.56 1741.86 1941.65 357.64 2176.83 743.89 3221.9 1754.67 1651.51 1352.83 3598.53 1789.54 418.95 1538.58 1350.03 1839.49 3429.01 529.1 531.87 1291.4 1531.18 2146.5 2939.63 1333.95 2283.97 3406.08 1811.77 1319.16 1927.37 1407.26 3098.18 1424.93 630.24 2879.82 3247.31 777.19 4073.19 1098.9 1786.21 1736.85 1586.2 1889.75 1994.09 3065.33 1178.0 3952.22 1801.9 1805.29 1824.4 1764.45 1860.25 1712.71 1994.13 2028.4 2017.1 Oxethazaine 1531.01 3320.45 1404.93 1325.27 9996.42 3487.08 2314.06 24211.97 15111.61 3393.88 1717.99 474.89 2564.59 2989.01 664.76 3170.18 342.22 18341.43 994.63 14003.78 7939.8 635.39 291.44 1853.05 30946.73 1503.08 2601.24 1692.24 6213.55 248.28 3365.73 2597.09 3099.38 2727.66 1036.75 31666.8 13072.58 2313.87 4158.48 642.78 19795.96 28653.34 301.62 475.16 2297.89 2490.04 5037.08 2135.01 1190.94 3100.41 3558.04 1956.71 1315.94 2184.94 3792.52 512.76 916.11 1154.2 1618.33 443.63 3247.1 530.05 854.43 2566.14 227.25 2760.63 2979.93 2606.01 2515.44 22043.12 3667.16 818.44 516.25 2058.1 644.15 7915.33 6375.81 7813.66 6363.04 8261.64 7367.81 7571.4 7352.41 7038.76 7472.68 5934.14 7512.66 7970.68 7385.57 4520.36 3721.96 7868.04 8072.41 7462.09 6959.61 7566.89 7426.5 7812.34 7830.52 3549.16 7568.22 8067.72 7270.35 7460.78 7224.32 7259.32 6593.9 7573.02 7535.92 3-Hydroxyvalproic acid 5565.5 9080.84 3519.69 4130.9 12841.28 1351.64 10080.4 11965.93 7272.2 3928.29 3127.58 5368.18 5546.65 4619.37 16381.47 9322.94 5717.25 16641.82 10031.37 10635.51 10795.45 5757.21 2810.37 5833.29 9302.73 7672.71 4863.24 3164.54 10090.94 784.27 12638.71 10871.3 3739.41 866.28 6330.45 9526.52 8080.39 1086.46 1463.2 4800.22 18226.48 16896.94 5159.19 4010.54 9239.89 4338.45 16095.51 7228.06 1145.1 9262.62 2634.89 4082.02 2565.28 4991.49 13055.5 11257.99 3422.98 5726.48 8009.61 4421.34 4879.75 1346.6 7073.83 4063.36 4411.37 12749.36 6087.58 4339.82 10583.12 11479.52 6528.26 6769.3 2400.83 5720.98 8765.01 7425.97 7469.81 7469.99 7372.77 7409.64 7431.19 7408.69 7515.3 7472.08 FFA(18:4) 29395.46 17024.29 23183.34 18239.57 108797.68 32717.73 55244.9 15433.1 15845.87 6785.78 12498.37 9712.78 10155.04 20279.86 16933.09 8717.12 10949.3 35951.51 17758.09 24185.09 14181.99 12098.07 16412.93 44961.71 17473.72 63200.38 26014.18 27915.56 20411.93 21165.82 9800.23 13188.8 13459.11 18414.51 11490.49 15854.68 23148.61 22948.56 22747.32 26996.85 2577.29 12773.98 9946.16 18568 13977.38 6508.19 10716.47 13119.57 16306.59 5604.04 12708.42 15126.82 15710.88 8585.32 15335.95 12525.46 16395.32 12999.04 11079.57 13419.77 30800.83 14900.21 13707.25 15872.88 14536.69 4554.87 11187.78 13475.52 15478.05 10294.95 12870.6 10816.59 6697.92 15869.03 11751.27 2815.61 3986.69 3684.9 2809.35 2609.66 4983.72 4476.06 4737.48 4420.05 3708.24 2526.17 6021.66 2961.37 3863.57 2172.12 4892.47 7389.97 4180.26 3428.14 2906.7 5623.71 4212.31 13214.16 5065.66 7470.67 10955.68 10880.73 10890.59 10103.24 10781.9 10473.82 10461.53 10884.34 10857.22 Eletriptan hydrobromide 5313.5 10081.2 1322.83 1642.02 4218.67 1981.61 5674.69 15801.66 13515.55 10893.93 13555.81 22209.75 20577.27 3480.69 1794.93 13452.7 7059.5 17060.36 25974.04 26950.19 8420.68 473.04 1410.66 19632.69 7803.46 5879.2 14502.08 15360.58 3345.87 16299.43 815.8 14048.19 3592.77 18461.57 16056.37 11940.78 10767.34 3860.6 5680.87 10691.75 11359.23 17749.07 16693.23 11489.46 13674.77 9045.24 16723.07 16520.98 7079.33 17661.49 11651.31 12622.52 7266.13 17350.76 6753.06 4462.49 1672.94 958.23 11165.55 2289.22 9228.18 1754.12 6483.49 8574.99 11805.5 15430.78 17820.66 16958.95 16262.55 21160.17 11428.32 5700.22 15618.51 11138.38 11972.7 16312.35 14221.04 15525.78 15534.37 15159.85 15156.81 15157.33 15704.86 14987.19 2-Amino-5-nitrobenzophenone 7996.47 3075.12 1226.34 2295.6 9238.19 4482.68 1477.25 7327.78 10359.54 500.15 1780.51 1881.81 2041.65 2416.48 12558.87 3468.01 3024.41 4406.8 4265.34 19921.54 6162.31 557.85 2240.1 458.83 8189.06 9959.49 2768.81 1004.96 4253.46 753.41 9607.83 5583.98 8740.73 2521.45 868.41 4916.47 9643.35 6537.07 583.87 524.66 4300.01 11698.64 836.43 1925.03 5889.02 2311.93 6926.62 2169.73 726.79 4582 7801.52 1039.09 2244.13 1528.14 10200.64 5374.35 1364.84 1772.28 9985.27 2634.77 1086.7 793.42 8105.91 1587.41 2182.57 5429.3 5302.74 2979.33 2595.59 11824.56 12180.3 4935.74 7466.82 1902.7 3012.06 3905.96 4610.99 4335.37 4390.7 4284.78 4371.66 4490.64 4506.34 4412.71 Pregnanediol 1103.93 2383.96 3682.12 3139.22 999.11 4101.35 1166.59 1109.03 1682.4 1611.42 434.73 2753.37 4765.53 3600.11 2330.8 2238.79 2816.08 1758.64 1772.51 1339.38 1937.36 3286.38 3454.5 1799.48 833.98 926.17 312.26 465.75 776.54 848.78 1138.55 4758.28 769.64 2650.61 1405.06 2741.84 577.23 4336.12 3302.7 845.73 2832.04 6543.6 3102.4 2555.86 6139.08 5351.64 2917.96 2136.96 2946 6745.19 3772.57 4034.88 2360.89 1511.86 2105.29 1696.47 3617.83 939.31 1714.97 1290.6 3432.45 2547.52 3595.97 1102.56 1331.31 3654.73 4026.56 2013.84 1767.35 1666.23 2648.83 1760.05 1480.44 1287.98 3964.73 1993.06 2802.32 5129.17 3398.58 3061.88 1338.56 2669.57 1163.62 2601.3 1211.96 2341.54 8788.3 3137.76 1930.24 2659.95 2923.0 4948.89 8817.38 3311.99 5136.68 4862.31 3946.93 1916.67 761.92 4108.72 4254.09 4499.01 4278.19 3112.8 4419.19 4328.43 4279.79 4158.09 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid 1224.28 1498.6 899.97 811.31 797.04 901.46 1397.65 3132.39 2062.23 499.91 2976.77 935.6 382.47 513.28 1141.41 482.79 354.33 672.54 669.55 793.03 1992.19 1026.04 365.52 860.78 460.27 785.26 1151.6 385.58 1230.29 1442.96 1547.6 798.22 489.46 367.43 2353.91 552.12 677.84 452.62 1135.18 435.19 1782.85 2310.3 1016.78 1031.13 710.38 1113.3 992.83 1570.05 1211.28 1484.96 1748.85 2135.4 1011.5 489.11 1530.74 676.45 932.02 1763.92 1596.04 1994.15 533.49 981.71 827.31 430.92 534.03 1284.19 811.83 798.94 378.75 1181.3 1187.15 635.95 1668.91 515.39 633.42 1340.24 1516.53 1409.45 1427.13 1555.78 1497.35 1334.65 1494.01 1546.92 Indacaterol 10326.52 538.61 507.02 3937.07 3200.88 2881.37 4042.37 4018.04 10309.75 3265.29 6757.89 7069.07 13732.31 13980.51 21774.21 8641.62 935.63 21978 11978.41 16932.94 9795.28 2427.96 832.66 1194.05 665.5 4415 874.67 6469.64 730.55 2093.6 19372.63 36351.3 1339.87 3014.92 3825.57 8357.01 6522.05 1519.48 4668.8 3606.36 16486.74 17737.7 1861.07 5242.93 20628.8 11175.4 9085.69 8048.81 2026.18 19493.01 8435 6588.99 7008 9406.26 8316.8 8646.72 520.46 1272 6517.57 1233.24 3454.38 1037.82 5647.97 1206 1506.46 10648.5 16027.2 6207.51 6133.17 6071.68 4502.61 1911 6258.51 3757.89 1230.59 8779.79 8497.25 9284.2 8474.25 7163.85 8803.9 8718.6 8468.21 8502.81 Umbelliferone 22074.94 15043.92 7186.04 6608.14 10712.61 11174.48 9233.03 24873.3 25352.87 19321.06 11097.23 14661.51 7785.83 11882.34 14905.15 12911.31 10622.48 16151.97 14951.43 15416.22 19641.44 9255.14 13876.37 9246.45 20552.12 18843.85 14259.16 18094.39 19470.22 21372.84 24572.07 14179.57 12099.76 11299.43 9976.14 24663.93 18523.38 13472.12 13064.05 13494.37 20226.37 20811.16 9139.04 10477.01 20700.04 11547.34 18835.46 12167.13 19954.37 14256.76 16668.56 12430.54 8623.61 10930.34 16513.93 10920.56 5362.68 5969.48 15398.76 9220.09 7533.32 8506.96 12114.14 3173.03 11650.39 17620.31 14557.49 15011.28 18041.69 19434.49 23679.6 16485.13 15260.3 11005.8 11056.79 16027.77 16406.39 15920.38 16037.51 15917.32 15915.29 15919.71 15971.74 15938.73 N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide 2058.99 1610.3 1362.04 559.31 3494.08 2253.44 2143.84 1153.61 3346.93 1157.06 1994.24 1466.57 7354.58 2902.24 8527.68 4845.04 2564.78 4969.47 643.68 6046.17 3109.71 14828.67 842.75 12775.9 15169.4 3047.06 740.61 584.27 4244.39 1632.74 2665.22 3801.09 3269.16 2298.22 1292.42 963.09 2299.65 3224.3 860.15 3523.71 3048.64 6069.23 1244.94 1808.18 2672.76 4345.27 3146.01 2540.78 718.4 3916.99 2084.89 1565.34 1712.67 4843.22 2379.96 2482.73 555.53 2084.61 1187.75 4372.23 1372.54 984.3 3053.6 3014.56 2504.96 4140.98 5893.98 913.05 6176.38 1431.82 2860.35 1508.72 3064.54 5730.51 5415.43 3137.32 2747.19 3156.31 3183.36 3094.11 3129.15 3129.1 2995.62 3035.06 Progesterone 15146.47 12940.44 14163.6 12478.22 10399.91 14466.47 14577.27 24966.48 12006.74 13266.51 15083.9 10038.19 9173.8 12126.49 10668.56 10896.68 13244.81 11996.19 10755.43 16143.14 15590.53 8864.53 8612.49 11362.71 13634.67 16823.51 14840.6 14423.4 15153.5 12887.49 12300.75 12522.85 9371.89 11837.89 12932.03 11368.87 14057.5 11573.62 11430.4 10363.25 16319.21 21485.38 13876.63 10892.66 13946.55 15084.27 10797.95 12018.1 6959.27 8697.23 10418.39 11038 10175.29 11776.1 14760.41 12724.76 14018.88 14433.03 12043.12 12504.17 14551.1 11804.4 12063.79 12282.34 14098.15 11214.39 13130.87 11330.04 10594.18 12239.53 12796.5 17404.72 10660.29 9296.82 9761.18 9121.6 17293.8 11334.11 10816.35 9750.94 10332.51 10031.15 10293.85 10147.55 11453.15 10391.38 10620.52 9697.32 10359.36 10374.42 8662.43 9900.4 10004.27 10292.44 9939.21 9984.06 10000.74 12099.28 10356.03 12035.37 12997.8 13354.75 13360.68 13328.94 13341.16 12493.82 11825.79 13950.51 13337.01 Tenofovir 8852.04 5542.12 621.19 2112.45 8674.92 15325.42 2950.96 8555.3 8477.72 5514.78 4273.44 5857.34 3081.77 3176 9144.29 1320.38 3865.83 2488.67 2357.99 2878.3 11187.67 7059.4 4212.82 3637.12 7853.99 8135.61 667.04 3719.07 1803.02 3941.79 1531.85 4013.7 5269.37 1520.34 2430.31 5330.01 8066.97 9026.02 5588.32 1494.4 4901.32 11790.86 1605.79 1279.69 963.62 1318.3 3998.68 3566.79 1625.75 4487.73 9353.7 7253.72 1604.14 2181.15 4465.93 3044.69 661.46 527.52 5863.15 3000.16 1208.53 1037.77 3507.92 769.06 824.68 11925.57 8970.58 830.73 1901.1 6370.55 6362.08 8465.22 753.26 602.83 2133 4081.13 3427.37 4312.78 4705.5 3760.09 3630.31 4080.19 3485.84 4097.56 Nadolol 682.19 32656.94 26533.48 21457.99 1209.71 101894.47 14312.92 882.32 1308.29 4969.37 570.78 282.4 10425.76 3051.67 7592.33 2860 5168.18 3176.73 3542.18 3847.34 1966.12 56807.99 17105.46 464.26 4157.01 4270.17 936.41 359.85 13511.37 731.6 4950.02 5279.71 9323.32 7478.35 2011.34 1478.6 755.1 48636.29 1778.2 10375.17 3587.6 2470.78 10874.91 5000.88 3200.07 3529.65 19882.04 9325.15 2381.49 4454.14 846 9026.79 1386.53 1364.34 461.06 27430.91 11223.2 15862.21 4488.81 48820.72 2892.45 26060.92 6345.98 28775.84 19765.07 2817.42 9783.05 456.12 1696.49 5800.55 11946.21 38271.2 3925.33 43099.89 7554.85 13612.53 13618.66 13936.06 13553.15 13439.7 13445.81 13618.99 13202.61 13614.92 Nifuroxazide 5094.46 4406.42 1566.02 6937.25 6410.11 5386.15 3352.73 6419.2 6956.87 3317.74 1835.5 3611.2 16698.51 2101.17 5205.25 3178.54 2539.92 5544.53 7729.21 11406.26 6062.76 3865.05 1851.35 1938.94 6151.55 5279.17 2688.23 4185.65 7197.91 2921.55 8315.88 6197.01 5997.24 3647.54 5788.07 5124.89 5598.76 5692.64 1995.48 2035.88 8434.12 8387.67 2409.8 1694.37 8081.04 16666.77 8129.06 3780.39 3212.41 5155.53 4469.08 3472.71 2300.67 15768.33 3992.87 4436.99 4780.74 514.61 5889.58 3274.93 1446.91 1448.49 2906.79 3056.84 1599.67 6152.77 7919.43 2893.56 4504.86 4994.01 6244.21 3873.04 2871.4 1967.25 25727.97 5463.74 5391.34 5468.79 5393.06 5380.14 5463.53 5250.93 5446.23 5399.8 Betulinic acid 21578.61 54944.8 79579.89 70871.09 30464.13 47741.84 36783.03 29695.43 47694.18 34717.42 36716.58 38421.35 1004.16 44294.92 55816.73 64666.43 38820.88 43447.96 56935.18 77392.22 37803.87 38081.21 49120.58 64062.32 56700.75 41669.95 80727.4 950.6 78171.85 59438.32 29307 46830.45 113335.01 114033.71 50818.36 48020.71 32453.5 91248.85 41090.92 35396.77 46717.5 33794.67 54586.87 39320.66 34615.38 32914.76 44315.75 39883.62 32611.65 42280.66 26029.47 35248.21 64083.85 52916.5 24951.08 58110.19 40585.75 45940.79 37202.02 41824.46 26776.97 43226.2 35785.44 93752.04 38558.15 40660.97 74334.38 45174.91 41805.8 39804.47 51532.03 49042.89 39421.93 42749.27 41986.09 49327.82 50591.87 56079.68 43906.53 44578.47 42260.41 46347.93 49224.62 46756.05 Carbocysteine 12436.87 15466.92 1785.44 4110.34 20950.84 16196.98 13855.33 18959.65 21613.28 10609.34 14185 7620.8 6255.05 7121.19 16990.11 13521.91 7403.43 13405.36 8261.26 25421.35 14718.01 11377.68 5663.01 8718.43 12387.89 16978.84 9506.5 7809.27 14994.81 4261.03 15978.46 11430.34 12906.29 3668.05 517.45 10651.78 15247.19 17876.94 6869.26 7952.06 13222.72 19548.97 8925.88 9079.35 20692.89 7980.62 15790.36 9022.41 4930.96 11019.57 13964.1 14174.89 8661.99 9079.5 11140.88 15579.51 5784.52 5493.78 16098.7 7516.46 7622.06 5198.62 7287.3 9779.43 7726.84 12793.77 20739.86 6571.56 11719.65 16173.69 17462.48 13038.05 10901.32 9078.92 9783.08 12121.37 12124.48 12231.54 12124.88 12119.92 12195.4 12030.47 12264.72 12132.87 Azobenzene-4-sulfonic acid 2537.32 2341.47 2295.01 2369.29 1064.32 1052.31 2217.52 4679.22 2329.77 2799.87 5536.51 2672.64 2147.37 2777.17 2286.13 2149.22 2226.46 2630.79 827.18 2040.36 3067.5 2512.26 2467.18 2275.69 1859.51 2167.5 2584 2290.9 603.94 2143.82 1955.41 1824.55 2521.57 2360.39 2187.87 2009.6 2275.76 2702.88 2563.78 2616.59 1918.28 1839.38 2259.89 2697.08 2003.48 2258.46 1985.84 1837.41 684.11 1681.72 1704.58 1969.85 2074.93 1637.06 2530.49 2546.63 2873.04 2811.13 2155.73 2384.9 2576.91 2017.29 2471.04 2234.36 2303.92 2185.46 2093 2650.87 2468.58 1791.65 2250.28 2392.1 1939.39 1686.42 2168.15 7091.13 7194.59 6807.89 7667.04 6757.83 6917.05 6881.62 6870.31 7010.67 6847.24 10198.3 7219.81 6679.34 6756.46 6257.88 12942.24 6875.27 6753.44 6928.42 7020.64 7484.39 7161.65 6804.72 7255.32 7064.94 3721.56 3975.78 4048.84 3931.11 3937.99 3914.88 3931.83 3975.19 3974.48 Dofetilide 2893.39 905.91 2545.88 1755.08 4021.86 1492.49 2309.1 4768.15 3520.75 5334.62 9631.81 9867.97 2431.98 8814.57 3214.1 5488.55 2216.23 1517.67 13599.7 2643.93 6847.37 4403.48 6129.37 14404.05 3187.84 1179.9 5629.11 13365.86 1914.39 8942.54 5260.08 11650.03 3663.49 19247.7 11597.73 8479.93 2455.47 7510.45 11892.1 9874.96 5564.02 5251.32 12885.96 8235.51 5971.73 4450.06 3696.04 6085.34 9122.7 17417.47 4045.22 4391.52 9750.01 5051.56 3948.51 3904.27 3365.21 3644.66 3760.14 613.26 9916.9 5594.94 1918.7 9319.65 13176.29 1951.64 6664.67 6538 7600.71 4042.07 3494.74 10434.23 12787.51 9819.48 7034.96 6064.55 6277.67 5625.78 6035.35 5271.99 4904.18 6027.82 6037.95 5537.71 Thiram 985.3 3221.99 2988.54 2313.23 611.98 1290.27 1162.35 3676.33 3040.65 1810.68 4722.74 2109.41 1534.4 2127.21 1797.68 2565.13 2216.05 3041.39 3911.32 1735.27 2607.27 2233.15 1124.07 1585.42 3217.27 2724.56 2362.49 2518.17 2435.99 2939.05 2491.43 2079.52 1246.35 2889.53 1823.41 2756.61 2959.88 2453.34 2758.69 2455.78 977.11 2015.94 2492.74 2644.61 1708.44 1356.18 2075.59 2499.68 531.39 1473.07 2097.14 2315.69 2287.18 2463.77 4564.37 2468.08 2565.29 2214.32 2411.93 2109.88 2140.24 2669.08 1564.89 2907.35 2764.94 2328.93 2553.73 1634.08 2476.68 2335.85 2870.38 2388.13 2692.14 1885.99 2205.98 2282.79 2543.56 2278.48 2130.22 2395.64 2364.17 2363.91 2286.01 2301.14 Leu-Gly-Leu 22066.37 3736.2 236.83 672.28 116098.67 1216.3 3638.82 17998.3 7858.32 530.88 843.6 13320.97 1021.69 870.01 17507.35 506.48 497.34 19702.82 1753.22 21571.01 18185.51 450.57 1717.56 707.91 19524.91 11338.38 5292.42 916.99 14715.1 3706.22 7179.4 25918.12 888.81 1117.92 757.46 10218.38 20820.05 2936.61 850.21 451.95 17422.13 33020.31 521.7 538.83 29011.12 5027.42 7784.52 5931.75 9941.25 2177.82 30710.17 4968.21 917.04 1975.84 14975.29 1113.68 359.9 244.29 38999.78 7228.31 431.55 1192.17 12091.75 1572.96 353.24 18671.22 3485.1 307.43 406.27 32132.47 14289.05 2062.04 316.68 466.62 926.35 9813.46 9812.58 9923.5 9816.97 9812.49 9583.52 10152.45 9816.76 9969.81 Acetyl-L-carnitine 5999.87 4040.4 3866.49 3267.32 6621.78 9991.88 5136.89 6591.49 7754.49 5488.58 4410.97 7487.86 3020.12 5923.98 6976.59 7223.76 4568.11 6268.12 8400.29 10719.89 5298.99 2454.5 5718 4963.69 3895.62 7038.98 4803.82 5826.41 8160.95 2900.64 9418.73 10386.02 4926.78 5147.78 6535.49 6639.74 5345.4 4325.5 4718.88 4363.4 6866.34 7197.85 5536.21 4385.16 7457.49 7524 8431.11 7917.33 7018.16 2555.64 5194.4 5120.67 5236.88 4446.87 2203.38 5348.06 640.22 2914.96 2399.24 628.76 3649.33 4567.8 2980.66 4928.99 5828.03 4718.63 6655.92 4958.16 5730.62 4971.08 6201.94 6982.65 4875.4 4677.46 5022.78 162737.07 97540.35 141098.87 192137.7 293335.79 122606.4 185387.4 70282.85 233392.45 208294.91 134016.6 145158.28 198435.83 67464.35 174348.22 66851.57 244229.3 178885.6 137599.4 190084.15 138912.74 103095.69 182421.69 141221.43 133957.63 6425.61 6644.92 6420.75 6501.82 6421.73 6455.05 6421.12 6507.37 6510.7 Corosolic acid 8115.69 19157.14 8274.36 8710.7 13915.13 24891.17 11273.7 5960.05 9681.81 4312.96 7568.31 5520.53 7375.41 6176.02 16681.55 1267.64 7707.15 3435.85 4285.29 11594.12 4680.85 27358.1 9213.09 2178 4304.07 14930.95 7297.36 2952.42 16758.06 2823.46 11434.47 2894.88 19718.61 6303.77 19186.56 2147.69 8474.34 20203.45 3814.77 19550.06 11007.44 13513.38 13206.55 9778.93 2665.77 11393.72 18804.1 4285.28 4429.22 11913.97 10201.98 4885.85 7765.36 8568.41 1835.55 20204.14 8575.44 4175.8 8644.78 23578.64 2874.66 7891.16 13146.01 12255.68 15435.11 11041.66 21319.01 2920.9 10897.47 6827.26 23308.22 24503.59 4657.84 4644.5 15584.15 2450.84 5435.22 2461.73 2761.12 2501.72 2647.06 2361.64 2421.33 2547.61 2593.3 2931.84 2408.45 2561.6 2378.19 2520.48 2456.79 2542.22 2563.11 2491.53 2641.73 2544.04 2430.6 2504.35 2616.63 2452.41 6098.35 5886.66 5558.9 6934.98 6035.9 4679.65 5722.97 5641.22 5700.57 6-Hydroxymelatonin 4307.12 4269.45 5056.44 2454.02 9185.74 9965.36 2768.31 1415.48 6582.48 586.04 3041.11 3874.15 4233.13 3588.9 4901.36 5346.91 4887.83 4742.35 3703.58 5058.43 5562.29 6364.23 2297.08 3310.97 5215.99 5199.73 4635.4 4012.32 6472.12 2175.72 4616.7 4737.84 3979.8 6014.71 4390.27 4696.51 5585.48 6539.76 2665.08 3366.1 5409.35 6098.84 4265.39 2961.69 8461.27 4106.16 5526.61 4254.41 2665.9 2108.05 6111.02 4802.27 2656.57 6218.07 2958.59 4883.59 2451 3324.14 5686.97 6393.49 2531.34 3309.41 3802.9 4109.86 3210.35 6269.31 7218.07 2735.67 2497.57 4310.82 4710.21 4152.06 3516.34 5471.59 3560.22 4657.2 4696.13 4636.85 4696.64 4591.88 4586.1 4583.14 4266.63 4706.59 prostaglandin E3 1547.02 85.11 3003.82 45115.52 255334.99 325441.12 160531.46 6208.68 175.39 11495.79 115.32 3129.85 24626.25 12403.67 12227.72 20973.06 3269.31 8620.02 145.06 83.63 2357.91 8985.95 99.31 233.81 3112.52 1838.08 2733.81 6965.19 2375.8 1123.16 58.91 4756.56 7386.88 1959.45 297.59 8337.52 82.48 6802.32 1293.94 140.6 142913.03 10790.87 67.92 261.52 85.25 16200.72 123.07 88.23 94.04 861.53 3398.71 89.53 1170.67 3168.32 4198.29 9359.49 42.43 10630.98 3113.17 16137.1 51.56 6883.76 103.53 197.92 78.18 3518.84 81.08 920.24 205.94 54.88 44.59 1734.59 69.78 130.68 7425.52 36768.35 38406.04 36757.61 36761.54 36806.58 37129.53 37459.1 36747.94 36218.25 Panaxatriol 10275.07 21694.64 33158.54 34952.64 11669.99 34211.44 35902.34 12115.11 22702.35 42648.44 32715.67 32013.82 27052.17 33306.91 24558.92 44381.91 38659.62 16159.36 50899.19 24092.18 4845.54 69943.5 31340.86 61729.4 945.69 19712.31 38765.42 68288.56 20343.26 45635.5 2074.87 41199.13 16369.71 52144.39 54464.41 14310.56 14682.31 19305.46 30724.67 36144.38 17919.22 14616.04 48944.41 34041.02 19888.89 52158.12 18081.86 41806.98 33505.5 44470.18 4611.15 17524.92 39988.34 97462.28 10950.44 26327.07 34014.7 51281.01 10311.02 91034.59 31158.55 37449.84 18381.04 60049.22 44330.19 16593.89 25957.75 75479.69 41888.65 17276.9 20834.1 38087.69 39385.16 56211.27 49425.45 30468.92 30472.34 30177.45 30166.9 30117.83 30711.34 30460.19 30460.47 30194.67 Rhynchophylline 549.33 10999.17 3198.38 1684.95 4024.07 12718.69 3950.99 27077.04 14650.57 12265.97 454.16 4567.73 5048.1 1199.56 20709.83 8833.36 3441.55 42603.24 38237.65 28605.32 15190.54 7354.42 486.62 2408.05 17169.55 14050.45 2157.97 4703.43 24133.44 5919.46 15473.68 26781.35 27814.82 5205.3 2896.38 21311.06 18640.33 6250.38 3686.47 3260.88 10582.96 35809.57 982.68 3702.84 33400.27 7551.79 19441.87 8186.46 3298.91 3934.85 10785.28 29838.96 4849.95 2966.39 10248.03 33343.63 3950.59 3829.86 16178.95 2991.13 2688.72 2951.92 23145.1 417.2 3564.53 5434.26 31809.15 4212.8 4071.97 20099.68 10269.7 5401.52 9229.33 3881.61 4387.47 11755.78 11748.72 11469.58 11547.08 11499.21 11505.51 11546.76 12153.6 11029.62 Genipin 1561.4 1435.2 2203.04 3614.48 5975 872.67 1659.17 2707.18 2245.01 2908.53 1693.04 2287.76 2263.57 2520.59 4078.3 3300.49 5436.94 3237.02 3711.55 3104.15 2911.7 982.96 1852.83 1524.98 806.52 1551.26 576.19 1275.35 2794.71 1229.07 2413.26 5196.13 1568.82 795.84 1824.98 2345.13 2250.64 1142.26 2569.7 1043.04 2462.02 5305.25 5418.86 3473.15 5571.86 2053.91 1229.4 3519.3 3266.58 3205.95 2429.01 3305.15 3129.61 4141.9 2304.23 2262.9 1093.92 591.11 3697.29 858.07 3155.23 2497.54 1668.27 2040.85 1670.08 3309.98 1480.64 3058.51 2044.72 2752.98 2782.94 1595.91 2445.93 1058.52 2980.99 1004.83 1049.27 2751.97 757.32 671.99 1543.62 2554.52 642.31 1035.01 992.39 676.92 1166.61 1455.29 1029.18 1069.93 3101.5 1037.24 1571.65 2072.34 2226.04 2179.27 2088.19 2237.42 2117.44 2090.06 2449.62 2061.07 3-Methylglutaric acid 6807.16 25325.41 51353.68 57670.03 16184.21 21944.79 17850.38 7453.19 6325.29 17986.4 8256.57 9194.56 35793.63 13532.93 11387.38 7253.52 15699.42 6255.25 15186.55 5629.29 641.69 5288.57 12340.15 26409.9 9535.78 11211.28 19839.32 8944.37 8226.56 3309.45 5903.52 8927.73 3856.5 27397.87 13110.87 9925.85 6760.98 35298.98 12581.41 9969.38 1332.57 7078.28 12440.97 14690.78 9115.43 9844.22 8239.21 7058.81 9349.63 8717.89 11575.95 31788.34 11226.53 13596.47 9935.02 32677.61 52651.63 44104.15 6100.95 28374.95 13680.21 35248.41 9647.47 6994.93 1967.23 13147.85 10762.2 10453.76 10146.83 6588.61 6944.42 18348.5 5844.6 21756.32 11893.33 15693.15 15493.21 15591.35 15562.41 15491.52 15543.11 15563.14 15435.48 15438.7 Cytisine 4976.02 3904.33 1506.1 2079.5 9357.49 2393.85 3038.88 7348.06 7357.01 4998.6 1398.14 4779.87 4200.76 1411.71 6772.46 3541.97 1802.16 2162.13 10503.63 4491.2 6159.27 1432.74 2421.62 4012.56 7286.74 5558.18 2688.46 4075.58 6022.51 2691.32 5986.63 7909.71 4137.39 3977.21 3982.35 5492.44 7145.51 3210.77 3677.12 1774.05 9133.83 8877.87 2942.59 4868.42 6332.97 4105.67 3463.45 5422.11 3470.07 5943.3 7752.04 5030.42 3008.1 4210.42 6269.97 7576.86 1647.9 1610.82 5835.27 837.13 2894.44 2427.63 5605.58 2715.66 2016.38 8523.84 8471.03 2683.81 5262.13 7223.53 7073.92 3008.36 2953.46 2923.96 4080.57 6110.88 7321.87 6385.27 6140.88 6537.56 4766.58 6142.69 6169.81 6575.87 2-Phenoxyethanol 12670.32 7056.8 2208.6 2098.35 12323.88 6283.25 4948.09 14259.53 13175.53 8095.02 3574.13 5753 4145.07 4087.16 9150.54 6037.22 670.4 8657.27 7492.16 14587.82 10401.13 5276.47 2782.64 4048.85 12179.13 7236.27 5015.33 6584.12 13997.11 6602.44 11347.42 9054 7026.81 2742.51 2436.43 11568.52 9599.29 4981.6 4065.91 4049.9 13497.83 14088.78 1254.32 2907.43 10493.94 4969.08 12644.52 5795.65 8970.51 9808.32 9278.33 5045.47 3105.32 3980.12 8144.04 5902.05 2317.11 1485.36 8616.49 3702.87 1827.26 2420.68 5574.81 3366.38 4406.7 10040.21 8427.4 5456.6 7502.53 10301.94 11770.28 6428.24 6386.89 2701.56 3900.67 7393.99 7471.23 7394.09 7392.03 7390.76 7537.74 7436.26 7469.77 7390.51 Metanephrine 3061.5 4509.34 851.65 1871.97 2833.48 6132.03 3161.12 5033.49 3976.42 3039.52 2178.1 2860.54 2552.58 2745.71 6987.29 2724.37 2239.47 5561.37 4777.23 11438.83 3601.03 2958.25 2219.8 1335.79 2663.66 2286.21 2155.73 1942.58 8842.95 2314.87 5773.29 3996.18 3801.03 2101.5 2207.66 6470.39 1924.82 5876.84 1945.01 613.59 3613.53 4508.37 1438.36 461.02 5474.94 2235.76 7855.98 5545.05 2362.8 1271.31 2912.27 3851.61 2926.4 2708.07 1199.48 2247.55 1382.24 1255.77 2181.11 2469.13 949.23 1898.58 2252.32 2747.96 2036.43 867 4256.9 2032.74 2399.94 2325.24 3862.76 3203.21 3098.78 745.16 2568.99 3196.38 3190.4 3132.21 3315.04 3314.93 3324.42 3346.37 3347.11 3174.86 Pyridoxal phosphate 1427.63 3097.33 1462.05 1739.03 2531.01 2177.2 1049.64 2941.38 3536.93 798.25 1162.91 1802.42 2550.94 2016.67 1727.71 1214.95 1818.05 2165.34 1070.02 946.18 1608.52 860.72 1567.62 806.66 1006.26 2666.87 1803.63 1579.81 2824.15 1008.52 849.09 1629.28 818.91 1836.75 3668.63 2159.22 1113.01 735.67 1535.11 5372.65 1892.58 1075.01 1665.86 2348.73 938.15 1792.67 4514.23 2461.31 1761.66 1262.44 1713.72 435.57 3416.17 1446.59 1910.6 547.63 1110.97 2904.06 2352.44 725.11 1905.51 847.22 1142.12 3904.88 4126.38 2778.48 1238.89 2090.89 807.23 1753 3009.09 653.65 2087.1 6033.21 2599.14 2221.81 1987.74 1930.67 2073.26 1843.31 2114.26 2165.33 1940.17 1926.43 L-Homocystine 3928.03 4976.37 2147.94 3676.23 2312.24 588.02 4495.95 3559.25 2437.89 1933.5 1446.04 2562.38 3872.76 3119.35 3417.93 3701.12 1485.99 4934.58 4780.91 1797.74 2593.94 2387.77 2339.72 3644.55 2540.45 1517.24 3333.27 3234.92 1569.54 2291.5 2840.66 818.52 2191.2 3412.91 2191.81 3833.02 1619.08 1198.33 4825.78 2645.05 622.36 558.22 4662.03 2520.91 2883.87 2015.85 5424.54 3663.26 1126.37 988.48 1714.7 3259.26 2410.5 2794.78 1983.73 3465.77 4770.98 1957.08 3380.36 3268.28 3214.34 4434.41 4339.48 2493.32 2226.98 4758.94 1807.99 2130.14 2741.5 3830.69 2899.44 1469.75 4739.05 2122.36 3392.04 3630.13 3604.04 3887.99 2925.1 3841.77 3603.26 4112.06 3431 3611.02 Indole-3-carbinol 341.41 189146.89 362058.59 245962.24 41791.72 95271.69 74284.24 12023.14 44302.79 45227.53 13432.05 38765.2 117119.31 41822.56 28683.42 44447.75 125165.93 22217.29 35286.95 4761.66 4198.42 121799.06 81818.69 98084.08 18476.84 15694.18 21773.09 3305.5 53881.32 391.41 21168.78 24868.49 64934.95 53470.88 63761.73 29976.29 16080.69 175848.79 27462.64 54033.48 4173.02 5750.41 52757.85 25050.03 6374.31 8348.18 14181.15 77545.04 7680.45 14312.7 9844.34 173696.4 31338.12 33105.74 25461.85 196355.39 242568.81 241046.08 25869.75 298781.62 79010.13 198339.29 18186.68 39484.86 43394.76 45963.84 13475.85 27875.36 16494.51 16514.41 4193.94 62093.54 6689.02 161903.1 23705.56 62007.11 61440.32 61267.67 61441.02 61192.75 61093.82 61779.56 61267.47 61266.47 Prazosin 599153.5 348659.49 96341.64 135625.78 486077.87 302117.36 217783.2 519519.72 532220.96 347494.8 110829.24 184078.57 97522.22 208610.39 341443.49 269398.85 156464.3 301171.75 266183.87 422607.44 349547.06 81798.2 70036.81 194664.03 537401.59 386875.77 272145.71 409383.53 534464.07 466629.33 575741.09 375025.34 146041.59 184780.4 146664.94 491005.99 434441.11 230095.71 222485.26 260420.18 557352.67 539923.2 156986.26 183585.22 409258.22 217513.02 506453.97 295741.48 380529.32 401512.14 367284.79 214871.34 141664.14 207130.35 329407.37 223118.12 70147.6 71814.13 348835.55 125556.35 125276.32 116933.46 241672.92 184213.16 268784.18 421945.12 404249.98 335913.89 375325.7 460644.38 520985.18 331967.31 391996.4 195594.86 238390.47 383556.88 373734.63 376385.79 372395.78 373991.15 372952.52 376568.12 372347.89 370031.33 Sorbitol-6-phosphate 697030.09 736590.23 927505.44 675984.31 877697.19 290259.18 476081.54 972716.45 1054514.21 819914.73 127257.12 554237.44 778059.61 756560.8 728622.64 695026.98 563413.4 790313.08 934162.19 623215.1 719134.35 356116.18 611644.93 743207.24 988731.79 888970.32 930818.1 923905.56 1028276.71 543955.41 584079.27 777700.38 574817.39 909622.46 667909.6 1070751.01 804558.66 189961.15 650957.41 493877.46 416274.36 565226.61 745757.58 543553.95 779215.35 355565.26 917509.02 495721.06 360894.59 544815.79 383890.6 533863.93 663970.85 397822.8 359563.83 687739.96 625117.56 538574 634396.96 252209.01 543978.78 541703.6 601362.63 559199.41 733274.49 624509.91 516201 916889.91 674694.51 908985.27 584884.9 545244.13 213147.09 323680.26 490348.86 618132.01 618336.62 618600.72 611399.2 618121.52 618131.3 619995.38 623083.34 618289.68 Ursolic acid 1268.51 2488.88 12382.68 8495.88 2444.76 5712.62 2608.04 1057.97 679.95 3488.11 6883.06 4189.18 13396.07 6315.55 4095.21 5709.09 22084.44 3096.32 8373.65 2265.52 3463.28 5593.99 8176.74 6659.34 2153.08 5238.44 5602.01 4156.37 2651.82 4689.11 2754.56 6937.82 1390.06 16031.73 7123.58 949.67 3884.17 1627.2 2630.44 1577.62 1588.08 418.43 8024.06 9351.76 816.82 8999.12 1144.9 3935.64 1803.7 21954.14 2956.21 3902.37 14080.68 25545.46 4078.83 1474.91 24453.4 15557.73 1018.67 1995.4 7792.66 5849 1289.6 8560.51 4273.83 910.62 4090.18 9487.99 2011.09 3429.76 500.08 3916.93 5231.24 18561.84 11846.67 5331.25 6278.6 6154.59 6387.2 6330.05 6168.67 7169.22 6362.62 6327.29 Ergothioneine 30772.63 65734.91 33545.94 42170.79 58859.53 47551.48 29373.47 81915.05 79392.93 34023.52 20107.73 19158.55 17927.39 22414.81 70943.53 38593.07 19537.3 47714.06 35273.17 48660.03 36448.86 108349.16 16263.57 30088.48 66776.37 68212.58 40417.84 22389.61 54688.94 12240.18 32332.49 28577.16 49686.15 27450.8 27166.78 50332.65 53059.25 19141.51 22474.81 43676.33 26857.58 26411.18 59403.37 29193.17 46246.2 27422.11 50899.64 27182.89 28844.66 26563 49548.16 25901.74 37681.8 43564.94 40424.28 45775.47 32199.85 44820.63 40762.61 21163.28 18455.03 19445.95 54659.74 31703.11 48004.92 45545.18 35560.02 19810.24 20704.45 83207.27 62358.87 25287.05 22265.8 46693.83 27444.81 40997.81 40938.6 41576.03 41977.65 40934.32 41904.39 44125.22 40963.33 41014.65 PC(12:0/12:0) 10955.82 7343.26 1208.38 1417.39 7403.06 6870.28 14248.44 5563.79 8298.16 1886.66 3530.34 4531.8 3575.45 4022.14 3135.11 4696.16 1669.94 4303.8 8086.35 1032.5 3388.8 2923.29 1362.59 1757.6 6399.83 1419.26 3136.66 4426.48 1518.56 4180.98 1844.89 9442.9 2826.86 7716.24 3032.98 4122.28 6301.13 3562.89 3276.24 5178.88 3680.1 2711.77 2776.96 4413.51 4997.43 2618.67 6566.76 2095.3 4458.36 4711.7 4372.15 3378.77 2022.59 1527.14 3045.26 7906.44 4330.8 1075.59 3706.92 8773.17 3471.75 2934.31 7124.75 4749.63 1635.14 8706.83 3011.22 2247.45 5696.02 7785.7 4431.34 6253.08 1895.81 6470.87 3315.59 4063.02 4158.09 4421.38 4323.39 4347.03 4084.91 3641.09 4221.79 3932.86 4-Methylbenzoic acid 1606.17 4575.53 3211.75 4754.55 6227.9 6640.92 6940.44 4179.05 2315.85 4201.12 4097.88 7196.81 9013.64 6178.54 5885.36 5083.13 4253.84 3348.05 10269.1 951.99 1477.66 5937.16 5571.21 6914.12 4183.24 602.27 5533.95 3939.36 7401.94 926.51 2277.4 7826.68 5732.36 4847.58 5765 5806.28 2356.96 3536.96 5151.82 4339.79 647.02 5030.33 6560.82 4823.05 2219.5 5170.84 4860.66 11549.52 6455.87 6066 3399.07 4387.25 6120.99 6588.46 3107.12 4948.44 2155.34 2790.64 3762.23 3003.5 6930.07 7332.13 3068.93 3867.64 3650.52 5884.18 2097.02 5304.26 4052.58 3470.22 3372.74 6529.76 3585.52 6493.63 5352.92 4727.46 4652.19 4641.22 4727.95 4637.48 4297.42 4649.02 4673.82 4727.71 Dimetridazole 8876.27 5612.16 1982.19 1855.31 7183.04 13847.82 5945.62 9464.67 8625.68 5171.48 5259.58 2829.27 3029.67 2556.93 16206.59 5318.6 4829.28 3607.69 1460.22 10677.44 6399.05 14504.68 2710.58 2884.86 2867.99 3919.87 2152.89 1044.31 9926.55 5352.26 6072.16 7066.77 9937.68 5542.71 4817.47 4417.74 3561.93 10879.76 5450.81 1363.07 7438.95 8880.44 1894.58 1779.3 6148.66 4852.37 3998.93 3050.32 2547.11 2313.96 10389.5 7165.38 2054.38 3354.4 5177.35 9639.32 2712.35 2871.36 6991.16 10690.31 3908.07 2309.97 10985.49 5870.01 5166.22 7400.71 8632.41 4727.5 1626.11 6866.69 5612.83 5233.38 2402.58 1487.28 2709.08 6866.85 6854.71 6966.75 6681.74 7244.31 6787.61 6966.43 6962.14 6962.75 Phenytoin 99514.51 52790.96 14058.47 17647.35 62441.6 40528.99 27509.21 113845.77 112642.28 83756.62 28211.24 51044.61 31674.41 37674.48 60170.05 45400.45 28461.92 63303.97 66485.05 68768.43 77523.45 26902.37 22344.41 25906.53 100245.01 85804.54 49418.96 69576 115071.42 57690.76 104281.66 73632.77 46373.59 30320.19 22672.61 105318.44 69744.26 40003.03 35513.85 40710.67 92184.48 124107.68 26095.43 27591.82 99645.71 39246 104794.33 46326.19 90558.71 85239.28 68518.8 39091.08 23124.33 32878.57 60756.23 40521.62 11401.16 13222.05 59818.5 22290.54 18229.02 20922.83 35678.72 27876.64 33060.91 71878.65 47039.07 57359.67 60019.98 77097.45 90734.61 59409.93 48515.92 28662.41 31738.31 61201.29 61482.23 62442.78 61298.87 61481.62 61096.59 61268.04 61291.26 61196.76 Vincamine 14078.36 4500.22 10316.46 12710.46 4781.65 3226.83 2828.64 11486.42 16258.01 10582.42 10179.16 19253.55 11114.64 12072.39 6966.33 20321.04 9665.4 4386.79 14509.8 6387.39 5705.07 6523.14 8741.86 13035.67 20640.14 8310.04 12093.82 14493.14 6873.33 20102.02 12739.96 12478.18 4134.33 14060.49 12078.47 22168.47 6866.53 4927.91 11372.87 11937.57 19682.05 9702.85 11469.32 9116.89 1306.23 5509.36 23677.1 19117.81 9884.6 21241.65 7508.42 4420.41 11714.7 16487.53 1926.75 2521.22 9222.65 7682.57 1151.86 4388.3 7944.7 7877.43 6037.19 2131.33 10222.93 8172.56 11423.35 11349.2 11682.35 4641.74 4428.46 11497.94 11199.18 10732.25 14407.43 6728.05 6238.68 6732.54 5863.71 6759.22 6731.46 6489.18 5656.69 4594.15 Carnitine C18:1 18222.36 10739.88 15562.09 15523.39 17405.33 14051.08 18348.87 8350.53 20316.99 1540.33 23797.41 26083.63 23246.07 23878.18 19247.1 24840.79 11686.55 15039.1 29022.94 13386.37 634.79 977.69 19715.42 27737.79 15974.16 13134.88 24547.06 29918.63 17050.12 10842.69 16134.48 29884.01 559.18 22524.82 24454.45 12965.25 25625.47 19665.89 35110.66 34899.43 15953.63 21688.08 40789.45 29695.35 16013.45 50297.82 10612.87 42808.71 22019.65 53818.37 19429.5 31452.4 49228.26 35291.23 29242.77 16966.77 9168.93 8944.34 17754.55 10160.47 26073.91 48325.21 18945.62 35996.25 25683.68 29853.01 33789.36 16610.24 28149.38 26007.08 16464.29 21010.88 40555.3 24345.31 34984.9 31061.62 33621.06 30900.86 33986.74 34458.43 34291.94 34910.55 41923.78 30554.97 Irinotecan 1537.81 2748.77 2346.86 1024.21 2082.32 1877.1 3509.8 3342.22 2477.16 1494.98 1069.72 2003.26 1986.7 2297.6 2131.76 7892.92 1772.31 2453.94 12689.75 3722.17 5767.71 3554.16 1885.13 939.13 2704.6 1299.71 4134.17 2304.6 2467.11 303.72 3103.45 4380.75 2680.3 3180.68 2097.21 2504.24 2797.6 3532.33 1053.41 762.57 1962.26 971.13 856.63 2742 2601.07 2034.83 5042.08 6009.33 3263.8 2820.77 4501.31 1514.14 916.68 2623.98 5402.69 2189.14 8325.47 2760.6 4828.41 2187.99 1494.62 680.94 2055.16 1316.32 910.6 1650.17 1281.1 2331.07 2648.52 4764.21 3702.44 2333.51 1008.01 2414.76 3670.47 4691.72 4494.06 5469.73 4303.64 4651 6652.35 4344.35 4269.8 5515.36 Azaperone 5757.02 2576.46 1426.23 673.91 2256.25 5630.47 4830.26 2605.92 2729.55 2246.88 1075.48 2299.73 2206.78 1988.11 572.49 4596.39 1749.73 2921.46 26308.14 5291.29 1352.45 1835.69 1038.27 1770.95 2311.81 4214.08 820.65 1221.11 1243.38 1500.77 1385.58 3453.15 6760.76 1568.14 908.62 2511.42 2371.47 1137.75 1876.5 2308.54 856.43 2623.67 1370.93 466.27 1828.4 10761.85 3131.72 2544.05 2025.85 4499.61 2551.85 3427.92 2092.09 3930.9 2919.88 18623.23 897.19 1282.02 7114.56 1058.98 974.87 1540.33 2436.14 2769.33 2582.51 3636.45 531.23 647.41 824.55 5657.36 3420.39 1957.91 1205.99 3146.91 1161.15 5418.44 4382.26 4344.52 4549.98 4370.71 3631.8 4521.16 4697.92 4540.71 Cinnarizine 22730.16 11163.41 3595.1 2850.23 5038.44 736.81 3559.76 27931.86 32328.44 42790.52 511.16 27472.5 8099.71 11100.39 18706.11 13288.44 5963.59 19849.84 37892.83 18026.38 2662.48 39527.12 7344.08 10100.81 32130.13 17351.44 29134.13 13626.14 30507.98 547.52 23832.14 29869.33 26720.94 15418.02 6677.97 62320.49 20377.48 26207.23 15084.29 4444.35 21440.46 34600.34 9602.34 4807.38 38587.07 3149.26 16099.03 9046.15 25500.78 11125.08 5826.04 13438.44 5171.02 1125.7 15693.89 16641.03 1608.93 3753.23 17097.73 8457.7 3543.76 25932.17 21600.67 4048.13 9163.07 28794.94 22098.32 10547.63 3231.81 30021.74 21729.05 9994.23 3421.44 1129.47 4981.27 15970.1 9399.3 16386.66 16666.55 15467.65 16208.27 15509.32 15513.57 15506.75 Pioglitazone 3920.61 4523.26 2382.42 889.85 4521.75 1940.38 3587.5 1820.71 7483.76 3886.2 4509.81 3785.38 713.16 5410.3 2219.24 919.2 908.75 808.88 2349.91 896.36 2466.23 2579.12 4940.44 6798.93 2049.08 1295.79 4928.21 3568.94 2048.51 463.93 2178.33 5872.14 2990.76 8406.11 4581.17 5031.59 3722.65 2040.74 5490.54 4393.08 2109.67 4261.53 5528.96 4583.11 1948.65 3405.43 2129.63 4669.13 7837.98 4903.36 4857.48 2505.86 21379.21 3978.33 4587.17 9936.89 2253.81 1709.12 1839.06 2207.06 4635.09 1227.55 16710 3591.54 1892.07 6579.54 2897.3 6496.1 4203.38 2391.31 3946.2 2908.31 3125.97 851.75 5834.15 8687.84 5358.87 5527.49 6157.09 5637.98 6381.83 6401.81 6500.52 3063.96 Benztropine mesilate 1632 1102.7 1462.85 928.81 2963.68 40111.93 12801.72 2644.53 1836.12 24093.72 819.54 1236.32 961.34 1376.68 1873.03 1888.04 306.86 1544.23 2948.39 1329.12 4020.55 23251.7 1194.42 1616.09 2446.35 8161.27 2896.79 1654.24 3399.46 844.96 1666.78 1679.41 1273.34 3525.85 864.77 1185.8 341.76 12169.42 844.11 1304.58 1875.85 1634.59 848.53 892.78 1513.73 2139.3 403.06 1366.94 2113.82 3546.11 1466.42 1466.61 3327.02 378.76 815.14 1157.96 454.23 768.19 790.66 10807 1215.78 1618.59 3351.42 445.58 892.08 4802.73 2331.32 693.91 713.75 3149.9 941.25 8213.11 1806.53 2011.96 1939.8 5553.71 4834.58 5720.24 5593.15 5633.09 5690.75 5676.21 5709.11 5984.32 Imiquimod 28305.5 33342.88 3146.47 31414.44 36271.83 32656.58 27726.3 34206.63 16347.59 36285.19 18785.97 22540.5 32993.38 14869.9 28246.62 20023.59 14050.8 7200.36 32332.99 16022.78 8422.32 27637.15 32378.71 26887.8 32570.91 23817.4 30259.9 19915.29 32424.97 9179.19 16790.66 27998.18 16593.44 33823.68 13822.21 28908.68 19953.03 26189.4 23882.3 18482.22 4649.32 44200.48 10294.94 10001.43 11870.71 22761.79 20738.85 28251.77 18524.95 25947.99 24633.24 25799.94 24607.72 24998.48 21712.38 31684.82 5743.89 13597.15 20544.58 16115.05 13334.08 37105.49 24428.55 18716.1 14791.07 35548.45 5465.19 18495.55 19308.54 29139.41 14725.35 33669.67 22332.69 13756.05 19085.89 23144.31 26275.81 23151.57 23671.26 23140.82 23318.53 23562.09 24127.57 22181.94 Enrofloxacin 6572.39 5795.79 4175.71 1530.55 5474.7 5262.11 4001.12 6448.6 8194.73 4193.68 5293.33 4761.74 1602.11 2392.43 10413.04 8237.67 3936.62 10585.28 4291.85 10249.39 6601.94 26196.6 1758.1 13250.09 6747.54 4248.35 4114.85 861.28 7430.83 2033.51 10208.74 1854.57 2644.21 3308.41 8491.31 4658.55 8677.46 4582.14 4725.38 3250.36 8147.75 3164.92 5475.06 5009.03 791.19 1943.27 11173.86 3826.78 1502.43 9020.64 2783.06 5512.53 6197.26 2199.11 4811.92 2039.83 5330.21 7642.03 7158.89 1975.24 9048.02 2419.7 9505.07 8577.01 7696.58 2137.96 12369.25 5152.59 7009.82 19879.71 5289.72 5502.58 6599.45 8984.24 6901.67 6981.59 6207.26 6202.78 5922.54 5815.6 6186.73 6129.76 6183.15 5517.11 Voglibose 2007.89 3790.8 16260.1 15316.53 1112.09 3987.04 26052.86 9265.55 3810.57 6336.27 13226.06 4993.31 1328.17 8614.1 501.68 10076.87 5913.6 5728.27 2014.65 5985.64 4964.64 1203.8 7976.42 10136.67 1853.93 5333.35 2426.81 5964.72 4839.53 2619 2325.2 5821.67 3596.41 11658.08 11452.71 3520.91 6554.79 4992.54 9995.59 16886.39 3978.69 2955.28 7078.15 8052.97 4419.21 14854.79 10420.38 5096.94 5788.1 6069.75 9558.45 5790.28 15846.9 29815.49 9759.5 5046.81 13116.63 11720.81 3984.6 7638.52 9012.39 11728.85 18556.42 19664.75 7912.99 7462.4 2933.52 6225.49 4338.78 10571.75 5271.09 4619.19 17572.57 23535.06 24756.55 7683.44 7234.21 7677.57 8219.39 7717.87 6056.38 7490.68 7434.36 7562.68 Felbamate 1190.94 1331.45 3297.26 3486.66 1188.37 6545.95 6052.89 1694.7 2997.63 4695.9 3424.5 3950.38 8830.5 2998.33 1501.82 4832.87 2880.65 1224.39 7615.97 2532.17 1230.51 1533.48 6484.2 2971.37 1231.69 1997.66 3409.87 4891 2735.92 1331.54 923.73 3221.79 1821.75 6222.19 6490.01 2986.69 2851.99 18414.5 2270.25 3082.6 4396.06 4094.02 5098.65 4496.31 2344.11 4942.36 4569.7 3780.22 3434.48 4687.32 708.15 5785.82 2811.05 6289.72 757.28 3103.07 4431.32 4491.51 1680.67 6526.82 3977.68 5872.02 2376.44 6602.97 5426.11 526.83 1886.26 616.85 3335.62 1824.06 2773.28 1966.51 3770.68 8141.29 6313.72 4185.52 4083.33 4066.92 2953.07 4210.91 4246.2 3839.19 4234.34 5081.8 Matairesinol 1981.52 1186.7 2051.86 5519.93 20518.45 8515.77 13722.44 743.89 2488.77 1981.08 545.56 2728.33 7153.18 2872.07 2946.09 8927.04 5146.06 4239.51 4922.69 5373.95 3398.07 3070.71 2272 1770.61 482.02 5728.48 4547.01 401.55 1877.56 7591.76 1751.63 4324.33 3728.75 1239.62 5351.15 2560.71 2779.7 3503.04 2857.82 4352.01 4197.67 5430.92 1179.52 1223.74 4459.81 13341.77 6020.46 2514.48 6075.64 13994.7 4485.72 6409.32 2039.36 9091.18 6180.18 1585.12 3663.83 3375.37 5406.64 9047.45 2190.88 3622.06 5280.56 4147.72 3960.43 3342.74 6552.63 5910.22 923.75 3411.89 4270.11 3589.72 3769.12 4509.68 14415.98 4897.59 5225.51 4910.55 5244.45 5194.86 4986.85 5242.61 5062.85 5575.34 Cycloheximide 117332.6 58364.14 13382.57 17954.46 67674.15 31687.1 21581.26 99251.61 101088 68451.49 17553.73 33134.62 20702.9 29312.37 48513.8 38936.17 20460.61 45567.01 50735.2 48621.1 56938.12 15425.23 14483.63 25997.61 108767.07 83923.95 48692.87 72106.44 119730.98 54323.82 102374.48 75527.1 23414.14 25256.73 21176.03 101055.88 63821.19 32147.13 30551.07 33360.63 78146.47 106003.7 22805.41 22325.56 83219.91 34680.48 94521.98 42771.98 89526.66 78448.99 63340.37 40932.97 23232.55 28045.45 55430.75 34721.43 10894.99 11538.6 52224.68 19972.58 14661.59 18885.72 32436.43 25456.79 29106.85 69106.65 43964.68 55465.9 53256.8 77635.03 82451.39 55848.79 45573.95 25014.45 27977.67 54003.15 54016.45 53959.52 54018.17 53655.92 54005.26 53576.03 53552.43 53132.08 2-Hydroxy-6-Aminopurine 2675.92 4137.38 4466.84 4323.97 11320.65 2743.49 5369.28 5876.23 5182.08 1445.09 5360.44 4275.77 801.68 3096.11 7085.36 3554.4 3148.1 7772.14 6922.46 1229.41 5978.65 2697.67 2500.33 4868.71 1805.81 1246.48 3873.74 2895.31 5776.09 3400.35 1368.79 3978.2 4347.3 2956.05 2687.95 2833.72 6623.65 1853.42 2887.26 5774.44 1158.41 3171.3 4487.35 3302.14 8226.11 5672.38 9508.49 2917.1 632.6 4470.49 3555.54 3369.95 4091.56 5734.34 5197.22 4165 4177.13 4780.54 8309.02 1023.21 3805.86 4096.97 7313.8 7661.63 5473.9 4925.81 5068.77 2653.78 2939.94 5510.96 4159.7 4348.66 5090.07 7608.52 5248.33 4625.69 4528.98 4588.62 3441.66 4673.1 4587.41 4395.12 4671.26 4726.09 Busulfan 9187.48 9972.68 15576.52 15819.27 11636.56 8089.56 19115.24 13855.86 12118.11 10316.06 11067.34 13113.83 12914.38 14262.97 11585.57 13178.81 12012.9 11325.1 14031.67 10562.03 8518.35 1279.34 12253.79 16143.71 14995.8 10534.81 14318.7 16026.82 10699.2 6265.04 8898.25 13245.61 5163.95 15228.77 16565.33 11719 12159.68 1243.73 15128.29 17807.78 1957.69 5731.3 17408.83 12459.68 10011.39 18673.17 10836.37 13928.03 17293.09 10048.21 17217.59 11001.43 17398.44 23371.77 14943.44 10261.47 15193.04 17621.32 8391.46 7730.45 14498.36 12130.69 14176.96 21665.92 12439.2 14461.51 12551.13 11139.19 12556.36 12407.96 11068.89 10713.99 16299.35 18127.12 17680.93 13086.01 13834.32 12881.87 12926.98 12825.43 12877.7 12998.75 13163.75 13088.13 Pyridoxine 12397.96 12808.51 5038.35 5101.15 11214.38 13870.27 3128.46 13032.49 14004.94 12802.33 3208.55 8705.74 3320.37 7873.12 13824.35 13288.8 10046.83 12864.52 10734.74 13311.6 17749.05 16152.03 9729.2 7927.16 12011.37 13667.44 9415.15 8829.26 15082.48 6878.81 12868.58 11153.06 9454.04 11499.42 4305.15 8790.06 10199.88 9984.64 7376.24 8174.15 6901.39 12511.85 11088.14 8227.09 16216.92 8191.38 13622.41 7976.03 10084.4 13086.74 11273.47 10269.36 10540.64 7754.76 4020.84 13388.72 7804.76 7212.7 12303.03 7704.19 6498.91 4665.66 11432.03 10627.81 10574 11778.87 16569.38 7200.72 7871.6 10701.35 9546.57 6500.94 9722.38 9332.25 5155.91 8667.12 8204.43 8542.46 8248.43 7637.53 7917.8 7674.08 8483.28 8445.65 Gly-Gly-Phe 4123.86 3033.3 5022.93 5712.14 10125.94 6524.54 8864.26 3627.64 6736.21 3772.77 1863.14 2758.74 3894.5 1580.44 11193.84 2993.99 833.48 6607.76 6967.63 5824.8 4130.56 7486.49 1271.82 1702.02 5381.89 987.95 5103.34 1082.2 16711.84 2934.39 3987.24 5222.01 4857.09 8286.33 2212.7 6645.34 5519.85 4079.13 3662.3 5717.94 6709.91 917.46 1984.5 2178.31 1875.84 8690.28 9482.5 3594.4 3923.22 597.28 8256.06 3527.54 2471.13 9004.46 3054.59 802.63 4118.62 4929.8 6157.76 4082.19 1822.73 5893.62 4707.93 4662.4 1024.66 7735.77 4369.76 668.44 1225.4 6826.63 1556.45 1480.76 1821.86 5154.98 6938.37 2221.53 3734.27 3284.9 3612.74 4091.46 3512.37 3580.18 3375.54 3558.41 Corticosterone 8629.65 7146.71 6166.98 11114.89 6805.88 5950.96 12039.31 8670.79 6243.34 10163.91 6013.33 4558.8 2269.85 8768.08 10217.37 8341.6 6063.36 6337.06 7330.1 6575.49 1693.04 7623.82 2549.63 8504.97 7462.4 3509.84 7301.79 6894.7 3268.57 6756.25 4752.93 2241.63 6246.75 9086.25 8287.06 8041.76 9137.57 4532.78 8102.1 7744.1 7279.83 10087.23 5276.47 9306.62 2467.28 8337.65 8713 9070.56 8154.24 8848.48 6660.26 1897.75 4163.27 7551.09 8516.63 8334.18 8110.49 4730.23 1289.36 10901.73 8458.57 8528.19 2113.99 7444.65 4866.16 4116.39 6340.08 9338.59 9036.46 7826.32 4519.48 9934.58 6211.01 7305.43 5136.9 8037.74 7997.29 8016.24 8027.87 7695.24 5824.44 7950.85 7913.01 7757.45 Rolipram 2887.72 9949.07 2039.32 2407.82 6594.43 24505.49 3612.48 2745.21 4024.79 1936.31 3870.98 4702.48 487.46 4503.46 9364.6 4718.02 3819.68 6896.48 8720.81 20034.14 3557.87 17571.65 3742.3 747.58 1739.81 11765.24 3538.18 3090.69 9833.26 3895.39 9452.84 3982.82 10469.27 3847.23 2540.43 1908.65 1101.06 10917.92 3476.79 1886.62 1041.43 1990.18 4521.55 686.33 4688.39 3954.75 16571.06 6474.77 512.23 13477.84 553.58 5719.93 4421.79 5386.51 2607.15 9470.45 1002.46 2444.53 5627.85 10758.53 1031.19 1020.56 9123.92 5943.9 4666.28 1890.92 7912.88 3273.7 719.53 4639.37 8387.41 6091.91 1050.42 9180.32 1691.44 5069.47 5578.23 5070.37 5067.85 4934.87 5066.63 4649.11 5067.71 4948.09 Heterodendrin 34669.71 32260.13 14864.32 13143.72 39470.16 24467.24 25583.92 51587.61 50939.35 33674.06 26476.25 26555.02 15812.2 22122.44 2251.91 29688.96 18291.01 36574.4 35097.65 50549.15 53138.11 15508.34 19069.97 21956.5 44599.08 45865.63 24230.35 30793.81 41696.18 14269.72 40753.82 42353.41 25773.28 26118.05 22293.46 35232.82 41396.6 23946.27 18961.49 19129.66 39094.48 41296.63 28827.15 17239.91 38576.64 23566.41 40538.79 28346.21 24397.17 27547.02 28632.42 34007.78 25333.79 21512.27 21387.9 29624.13 17004.19 13486.78 35756.06 10534.65 17282.68 14911.95 27667.61 18290.24 19503.81 33198.5 49106.74 20648.53 26235.54 42469.92 33211.18 25122.06 21372.03 12689.43 18455.04 30144.6 30955.28 31138.23 30039.13 30164.97 30236.47 30909.17 34129.43 30133.68 Sarsasapogenin 16229.4 16764.79 23575.1 7404.51 80178.35 1198.99 31764.5 21141.31 74124.67 3253.8 11367.47 21119.39 16789.45 404.83 61941.98 42655.44 21858.03 374.27 30905.52 60457.44 27829.54 16027.29 23326.72 14632.77 26296.14 23125.8 600.99 1146.9 40098.35 23517.13 25228.94 36707.62 22870.76 21413.04 11624.79 41636.91 23282.98 13626.88 6760.96 7079.19 32046.68 37545.48 18006.89 15693.99 54678.88 10576.91 52890.72 33144.38 21061.24 26777.13 55509.68 60723 33164.22 27255.31 19532.37 71844.26 29123.9 18385.26 46707.45 41162.6 8819.57 11688.73 75495.32 16621.72 20270.71 30031.27 28267.37 9007.34 29631.55 19101.91 21363.12 11804.36 10052.73 26753 15235.54 30033.22 39122.78 38028.69 39678.47 42033.74 43922.28 43892.01 46338.44 43675.55 Lamivudine 1653.03 1732.65 1638.35 1163.47 1259.15 1959.84 1028.93 1266.22 730.14 2233.78 1086.69 1114.74 3359.12 988.1 568.67 1669.93 1193.11 506.1 2091.29 731.25 2774.25 1966.85 1138.9 880.16 1439.96 2880.04 1382.8 2177.83 2675.97 605.47 850.97 1801.69 894.38 4771.88 836.82 818.12 1291.88 3206.05 1744.77 1410.35 2005.17 3453.71 835.19 1984.07 1200.78 1294.87 1695.9 1613.08 1041.58 3897.09 1459.65 661.76 1773.1 613.84 614.73 859.19 479.49 932.27 1513.83 949.66 1201.05 1417.45 774.6 672.84 1177.29 1862.44 765.36 1440.25 1718.91 1802.49 1598.42 2276.74 1301.83 1050.38 889.96 1198.55 1348.71 1433.52 1383.08 1358.06 1378.51 1432.79 1448.35 1383.29 Flufenamic acid 407.95 650.67 519.2 486.16 539.07 519.51 456.97 996.34 604.29 592.51 1202.38 602.04 474.55 801.47 538.8 508.77 421.87 541.43 490.41 670.94 401.26 251.46 472.37 320.45 509.72 370.84 515.18 338.06 436.23 319.56 346.41 335.88 540.02 564.01 592.55 247.73 437.95 726 328.18 445.28 507.72 363.85 442.43 769.54 547.05 419.14 469.23 412.81 428.48 427.46 388.01 258.75 423.48 501.43 614.01 510 689.81 608.38 458.55 420.73 483.98 377.53 519.37 499.99 536.93 522.86 375.91 667.25 674.61 279.49 455.85 610.12 397.68 542.43 405.99 2044.04 3903.72 2249.56 2388.97 1993.47 2441.81 2137.94 2170.4 2208.76 2250.18 1552.68 2345.86 2056.08 1728.96 1921.15 2017.93 2143.73 2006.77 2183.22 2226.35 2597.05 2196.0 2440.25 2062.95 2216.66 1061.87 1008.6 1086.21 1067.02 1078.55 1173.47 1072.75 1081.85 1126.75 Citric acid 894.98 572.59 571.13 963.13 13801.53 1857.9 4587.12 1675.98 377.71 284.07 355.49 11238.67 1019.1 1358.77 387.75 9183.05 428.41 206.15 529 246.07 5089.18 590.97 633.19 334.91 8186.38 281.62 4325.36 209.48 457.3 208.74 186.1 358.66 178.02 8515.08 155.99 372.04 595.18 157 463.95 205.69 180.05 186.28 151.3 1189.95 2060.75 11911.87 62.18 930.51 120.88 55.75 187.24 7644.33 4078.01 140.21 345.56 430.9 509.93 333 10019.12 5127.55 440.62 9691.23 325.12 183.87 218.76 171.76 5553.94 564.94 504.29 393.79 309.43 664.72 92.18 333.42 366.02 103256.05 82601.69 73657.2 92443.67 46812.21 66777.87 96958.94 71790.66 107750.22 138290.24 118393.41 130751.56 108482.78 64777.11 79061.32 78104.91 74948.33 86981.49 87654.83 90416.78 93162.03 100751.69 90270.67 118710.09 123295.79 5710.48 6348.99 5711.74 5858.89 5301.42 5894.36 5785.56 5721.76 5710.19 Ser-Ser 32624.59 31858.15 15026.74 26862.01 47384.67 44651.1 25143.18 44167.01 54413.39 22466.36 21222.23 30864.87 26136.47 19207.87 47044.8 30504.92 19672.15 37471.2 46382.25 71802.81 47310.04 5170.84 22038.89 18991.25 39302.96 43216.43 18095.07 21615.2 42833.25 17360.89 69098.57 43996 41864.65 25114.3 31576.06 34879.64 38992.07 43124.59 20943.09 16897.21 59265.91 71498.49 22483.93 14575.92 41423.11 28433.26 39453.31 30820.32 22841.05 41009.41 42811.89 34147.9 18598.19 26983.96 38302.36 35206.43 11542.83 17782.79 41439.53 24846.06 14928.71 12102.98 30938.28 21632.02 23892.48 52998.72 56093.2 18291.11 16989.31 38953.29 43716.55 31292.78 21056.6 25104.83 26010.11 32536.32 31861.83 31859.39 31954.72 32038.14 31923.62 31889.71 31929.93 31564.72 L-3-Cyanoalanine 4592.16 4523.22 3726.31 4176.43 4351.56 4412.36 3693.42 4990.47 5161.97 5185.78 4408.88 4467.81 2512.02 6875.61 4663.86 4579.61 4487.11 4126.97 4264.63 4734.46 4290.24 5080.47 3929.44 4021.16 3870.48 4659.61 4755.32 4144.73 4534.64 4596.65 4229.7 4307.03 4954.07 3726.64 3947.5 4504.5 4628.41 4815.89 3927.56 4425.07 5212.54 4565.16 3870.07 4180.9 4463.14 5491.73 4953.61 4507.42 4084.11 4349.26 4069.39 4614.36 3783.51 2891.65 3582.27 4315.69 3930.38 4363.41 4875.03 4646.65 4359.07 4647.82 4346.79 3699.91 3922.47 4155.3 5113.37 4872.79 5712.96 4369.78 4487.11 4358.55 4592.58 3808.29 3480.48 4571.96 4500.63 4574.5 4862.71 4467.13 4503.93 4570.9 4556.25 4383.4 Fenoterol 2071.16 670.21 1617.42 3424.87 9330.64 977.39 4767.81 929.84 4912.35 7701.66 1153.87 847.13 3380.96 1984.02 16627.23 6206.19 2288.91 2029.05 2690.99 2876.71 506.96 5866.3 2221.95 1225.93 4423.48 8593.95 2596.07 660.91 1795.95 1836.09 987.5 2822.54 4538.59 3168.67 584.77 932.76 2702.59 1812.62 346.07 330.87 10866.17 1203.39 655.79 1228.1 3043.42 2093.71 972.66 1955.4 909.72 2039.24 1273.71 1816.62 1500 3260.21 2472.67 1432.19 3482.87 1006.39 660.63 3508.88 2183.37 14965.44 3429.04 816.91 2270.79 1388.35 2902.48 1149.53 3619.13 1976.63 3957.57 1781.56 1840.39 787.92 2025.42 3142.7 3036.79 2605.55 2676.43 3005.27 3066.08 3029.81 3256.68 2535.99 Melamine 16172.49 14037.69 27688.06 27551.96 22401.63 11687.14 37410.48 22914.96 21816.96 14727.32 19773.09 22448.61 22876.06 19738.8 19987.35 21358.1 16748.57 17961.5 23292.8 18273.22 15611.85 8586.11 16015.52 23106.86 22784.63 13532.28 19088.65 21010.34 15996.75 7743.49 14111.8 17306.62 10131.33 25289.09 25328.48 17738.92 18431.69 14855.08 22576.27 23903.94 6931.66 12384.77 26005.31 17550.91 16059.4 36888.75 17046.46 22708.29 22499.89 17051.54 30555.22 19253.18 24610.14 41889.77 22002.47 15140.92 23571.76 23175.4 12746.8 20612.81 27403.58 16681.29 24645.17 35981.68 17901.82 22377.24 14135.2 15827.92 16530.56 21085.63 18666.53 15320.52 26599.3 29797.88 31274.52 20818.46 20625.29 20556.06 20569.57 20638.32 20638.89 20555.05 20603.1 20554.66 Rabeprazole 9287.24 10282.15 4515.62 4444.35 9041.55 12951.6 8923.46 9712.9 9782.27 6444.68 8631.19 9221.66 8539.9 8689.86 8899.15 8576.81 6621.93 10356.71 9910.41 10208.48 9301.42 8518.91 5419.73 8928.42 10368.94 11367.8 8182.48 8542.68 11629.27 7088.9 14002.24 9090.04 7817.58 9614.19 9309.56 10396.76 9432.5 8624.76 6778.37 6209.72 11945.26 11508.12 9014.01 6446.22 12985.27 8655.56 12892.16 9100.06 3375.68 10186.22 10063.36 8349.11 8111.31 10753.96 9462.68 9799.75 2105.08 3920.26 9131.24 7415.46 5743.52 5987.32 8795.49 8806.89 6498.69 9105.69 12057.91 6210.01 6701.9 12977.74 8420.05 11080.64 6836.52 10282.06 13613.62 9727.71 9708.26 9578.57 10009.43 9121.66 9572.39 9715.69 8989.63 9601.52 Forskolin 1220.94 9947.21 3205.53 2061.49 4580.4 14129.39 8842.71 12227.72 9546.16 7019.05 3315.99 462.79 865.26 5070.54 3871.19 1187.04 4548.26 2193.6 2408.75 677.81 11287.66 8480.77 488.37 5708.02 1094.1 758.04 5106.62 1577.52 2638.1 840.12 11807.58 8189.15 6797.66 5737.96 5325.52 7066.85 10307.94 10336.11 5400.97 4784.07 10528.87 11795.57 7911.26 5007.52 9306.38 6161.5 13464.75 8356.46 3094.5 8141.95 7978.67 6906.57 4874.29 5729.01 8147.64 8434.12 2788.89 3027.97 7053.29 9382.53 3047.78 3893.24 8605.82 8946.41 5364.44 11000.22 14227.32 4423.71 4701.84 9342.75 7182.2 8600.64 4263.17 7096.76 5684.52 7339.03 7363.44 7403.25 7478.93 7648.12 7348.33 7544.32 7342.46 6735.67 Hordenine 11663.37 7837.35 11861.2 7045.99 6205.57 3997.14 4596.24 7604.01 786.43 6585.15 6726.91 6468.95 3109.54 8140.03 6608.31 7143.65 7753.25 9751.17 4740.4 9238.44 19660.52 6151.99 7570.21 7995.31 8556.65 7898.37 8284.82 11332.22 5834.91 19133.39 15813.79 4815.97 6431.04 6810.19 8983.55 6435.91 9755.29 6049.96 6901.22 7639.31 6668.51 4733.13 7827.14 8418.36 6671.23 4792.44 7600.75 5591.11 6662.81 4827.7 7541.31 5947.33 8358.05 4478.01 5659.78 5706.58 6334.73 7716.36 7831.04 8797.15 8861.63 5731.21 8392.23 9139.44 12196.56 6083.82 12407.68 6988.82 7800.66 10740.24 7769.58 7126.32 9045.79 6045.31 5261.13 7212.18 7271.61 7321.26 7308.89 7339.49 7223.97 7355.06 7874.87 7356.43 Glipizide 5887.81 685.65 1117.22 1707.83 5401.74 679.83 4228.57 20278.82 22528.28 4650.88 2572.42 681.93 587.14 668.13 17433.76 8901.05 1079.69 5969.82 1626.05 6866.23 6035.89 1631.41 1917.79 1594.29 13446.17 902.84 341.46 388.3 12160.73 17824.73 6355.52 591.72 4703.39 508.66 1257.27 4027.62 2872.54 251.2 408.89 1338.2 313.14 5585.99 267.78 248.97 782.7 2631.18 12402.24 4591.68 14227.7 13881.22 7236.2 778.93 1776.35 422.4 6172.87 574.36 2144.2 277.19 7157.59 1692.81 609.75 1200.19 1299.25 2573.26 3673.65 5995.97 545.3 1006.44 3982.99 7914.42 9948.54 773.8 5874.77 1696.38 1169.42 5365.13 5554.66 5449.53 5537.77 6025.48 5375.88 4580.02 5348.44 5413.57 4-Vinylguaiacol 14382.13 16078.71 6993.04 4034.98 1490.5 7531.54 2615.71 11550.51 24538.63 10688.26 9985.05 2519.01 7187.61 10222.54 20880.58 2139.81 10911.94 2431.53 11530.81 5016.46 7777.79 4382.69 4636.04 11985.67 6984.63 5375.87 10107 12526.68 4539.45 7183.82 4682.27 9969.17 1597.52 18646.69 16029.95 6596.13 12527.33 8141.69 4121.49 21813.92 5383.61 6175.96 4536.89 8146.82 7962.12 4826.26 6314.99 3648.78 2706.77 1170.69 6657.87 8471.53 8825.62 7790.47 1029.49 17978.76 5750.58 3399.98 5244.57 5578.16 16140.59 1566.03 26275.28 1408.41 1373.98 14375.13 3491.16 7921.69 15076.7 9877.42 17845.04 5771.76 4788.31 5813.1 4933.38 4754.91 4773.47 5009.23 4949.33 5004.57 3889.51 5018.78 5379.3 4732.19 1-Heptadecanoyl-sn-glycero-3-phosphocholine 1142.08 3065.34 2414.49 3376.1 2561.97 1307.03 7795.54 2959.49 3023.86 3407.97 2271.41 2928.12 2655.07 3831.39 3522.75 2464.86 4529.92 4849.33 3075.9 4107.48 3878.97 3349.42 3989.28 2434.38 2264.09 3174.46 1417.32 2446.48 3512.13 3318.79 3969.57 3835.72 4780.14 787.09 3321.22 490.91 2766.43 2313.36 4188.27 871.79 1734.18 2709.13 2253.51 1134.19 1618.07 3044.26 443.25 3049.35 1146.95 3781.49 4230.71 1519.06 732.46 1328.56 543.88 3127.29 588.81 2936.52 2594.27 2716.46 2339.02 2792.13 1777.53 779.29 2300.36 3709.49 4985.19 690.96 1341.7 1979.31 596.19 966.37 1921.71 2039.46 4930.4 5580.54 2281.84 4044.86 3631.74 3048.8 2911.45 2017.76 4864.5 4390.59 656.25 2839.15 805.62 4442.61 863.03 2258.39 727.73 5844.34 2897.65 1293.43 2776.28 2919.34 3486.41 9782.96 3210.68 2816.3 3245.27 3432.11 3211.01 3537.29 2791.74 3130.49 2680.89 Casticin 5600.38 6679.83 4831.19 4706.33 1918.6 2010.99 2993.18 5121.2 4581.43 5208.74 1519.29 4438.18 3474.39 3466.32 5149.89 3029.91 8073.78 2831.31 6785.97 4535.81 4119.02 3627.98 4358.29 7483.62 5306.48 4578.44 6958.53 8022.63 7390.23 1470.88 3345.7 929.24 5569.12 5548.41 6621.87 4090.96 4996.6 6189.22 5025.39 7060.95 1725.2 3262.59 6359.47 5624.82 4452.61 2980.11 5370.05 6357.38 4144.16 3728.45 3156.79 5587.33 4076.46 5587.76 3318.09 6752.95 4819.61 5361.2 5639.9 5214.49 5498.09 4155.06 5223.56 6058.53 5646.03 4864.8 7525.69 6046.94 5790.89 4317.15 6646.5 5288.42 6648.74 6099.67 5204.82 4623.83 4396.59 4647.94 4623.74 4452.2 4477.24 4478.66 4466.56 4673.07 Glucosaminic acid 5427.96 4756.61 2143.47 2053.25 6048.51 15948.22 7752.09 10674.97 5343.56 5115.83 4644.96 8879.17 5451.85 4160.19 4322.71 4567.42 3192.47 5181.76 6779.24 11707.14 4262.38 44207.78 8308.46 3420.82 2925.89 3786.65 1120.42 6823.67 7719.06 5120.73 5343.96 7177.13 2598.65 4750.9 2152.18 8146.44 4666.22 9102.32 5995.64 1836.86 3793.69 5242.13 4247.59 2969.04 6844.13 4994.85 9273.26 5139.93 7758.95 7696.13 7166.45 4482.54 548.8 4131.84 4560.43 796.42 3209.47 2379.41 3271.07 702.53 3438.2 3812.43 2312.68 2907.11 2309.8 2661.53 4610.53 8035.37 2425.01 4597.03 3206.45 4885.33 4924.46 1984.17 4837.87 6007.07 6071.7 5973.08 6073.95 6191.3 5986.51 6071.44 5941.84 6349.29 Tiamulin 15670.12 13578.32 14241.54 17444.21 13106.96 12476.21 22808.95 27806.47 5390.78 15525.37 24795.03 11532.7 10932.29 14267.58 12047.85 13635.16 17450.01 13218.16 4272.61 1946.26 16360.41 9996.99 13979.06 15543.79 10609.73 12043.67 18888.64 15819.91 10781.39 14455.84 12512.7 3230.73 10742.63 15592.22 14793.93 12799.53 9210.87 12572.82 16513.64 15960.59 12050.13 8665.66 17451.95 16123.84 11162.58 15621.62 6556.93 15873.49 13568.55 8475.7 8623.05 12811.92 15129.08 16237.52 19625.29 9920.89 15893.87 16283.94 11576.66 10116.27 15525.13 15601.2 13093.26 6456.2 18690.13 14692.5 7967.64 12865.05 15228.33 15778.86 10684.67 16513.98 13713.97 20323.43 15061.03 12308.12 12423.32 12811.77 12832.82 12640.18 12218.2 10185.8 12798.57 12805.23 Calcitriol 25225 4294.61 16426.03 6594.83 15463.7 9267.9 8927.79 23415.91 91471.42 7133.6 6701.23 15096.16 6584.55 2489.88 30614.23 28475.39 11926.9 24966.97 23199.07 40261.28 19649.66 20846.62 2682.31 14202.96 9716.71 74104.97 2967.53 2740.68 5311.77 2077.79 1174.27 8287.22 4080.36 22270.66 15122.33 15346.97 34360.31 22057.37 4328.99 11490.18 8413.75 20678.88 17680.55 5756.26 94405.73 11722.04 15192.05 35011.97 38128.6 15159.84 52081.06 34210.4 19208.21 10655.35 10031.09 79899.15 23336.65 4140.16 26361.53 29197.33 11911.58 11315.33 21435.08 19739.85 10317.9 57828.33 65875.91 4732.21 14300.9 21791.62 63346.79 4693.07 13036.86 20886.89 7188.53 17215.54 15572.76 16446.38 16354.7 17280.86 15569.06 16354.74 15715.44 15417.12 Doxazosin 1329.6 23013.81 12373.82 16417.64 31109.5 37316.49 17137.57 22061.56 26912.89 21587.44 16519.5 22526.22 17921.53 23161.64 24602.02 20960.5 14703.58 25269.62 14875.14 50761.71 26671.93 14082.86 13766.22 16607.64 2309.42 1651.34 17435.47 25850 45008.24 18007.58 31928.5 36620.61 15675.4 25729.5 15692.78 38496.2 19815.16 37642.12 13037.18 15447.88 37257.17 43067.41 10635.76 15006.44 35446.04 21185.67 54341.44 21068.69 25378.92 41395.22 23128.03 11118.28 22252.13 20869.43 17948.87 21066.18 8639.35 11653.12 19735.74 14683.83 13312.68 11705.6 18805.36 15027.78 9897.68 36602.22 39510.7 24211.35 21626.26 19747.81 29544.48 24194.09 22528.82 13774.95 22865.63 22857.33 22265.41 22434.55 24013.2 22347.66 22991.64 22884.97 22900.97 23536.79 Nordihydrocapsaicin 255 60.77 54.58 7502.07 17178.74 22830.49 26552.16 560.99 166.76 385.88 60.58 128.74 35.49 101.76 87.79 1595.7 47.08 46.73 77.09 93.46 217.79 91.97 99.55 177.75 141.52 132.74 416.59 27.16 29.82 183.96 175.9 89.06 172.05 1715.64 249.79 106.83 190.34 1465.22 732.34 154.45 11531.04 1487.7 168.22 167.03 194.57 8384.16 168.16 196.37 40.39 969.62 1695.01 251.72 147.66 1478.6 2342.46 110.11 728.66 149.33 142.06 1813.58 136.48 1611.54 717.06 148.83 143.75 1544.42 65.89 28.8 179.82 87.76 167.85 216.65 203.98 269.64 1456.39 4633.04 4602.16 4579.61 4579.81 4579.72 4586.77 4620.65 4593.1 4579.43 Securinine 3505.8 4144.36 2221.77 4286.98 9343.7 969.7 6193.74 6367.29 3134.32 1176.9 2388.22 11265.85 7236.54 1043.19 2859.63 6249.46 833.21 3947.66 4216.5 6632.07 5915.54 793.09 2556.45 8103.5 5572.16 1449.12 2542.87 1136.77 745.9 1751.06 3034.48 641.27 3218.31 2804.93 5759.09 4676.65 1955.39 3536.85 3727.46 5695.44 4311.92 5721.92 4512.05 2098.15 1069.9 3151.03 11409.89 1680.06 16024.68 4491.94 4833.64 2515.51 3790.61 9432.54 5589.31 10204.5 3985.74 3760.41 587.95 1997.55 1398.56 1396.92 3035.21 1576.69 2052.74 5889.65 5098.05 692.26 3605.59 13287.08 2300.35 2413.5 3359.71 6445.28 3264.14 2857.92 2874.28 3125.14 3513.65 2828.79 2813.06 3194.65 3139 3131.36 Safinamide mesylate 8352.15 5273.6 1634.27 2816.98 8142.29 9466.69 6132.53 5357.63 9007.74 12978.67 4357.12 14905.21 3194.89 7287.36 3320.86 12873.46 7919.22 6219.7 7829.37 7684.64 12245.4 1421.5 3603.61 2291.44 11863.29 9598.7 9924.42 4041.48 10700.35 9669.4 4459.59 19212.48 1852.03 6097 3475.45 8816.51 9619.36 8728.05 2996.69 3106.02 7087.34 15536.74 6678.7 4699.01 12879.44 5908.88 3218.5 6074.97 15844.74 12475.99 11022.01 6712.1 7953.04 9889.3 7903.31 3111.06 2894.03 514.33 9943.44 6911.8 2888.41 4663.37 12847.33 5241.1 2205.47 11476.34 4761 3186.23 6833.52 1788.57 3556.46 11534.88 3835.88 2333.92 7553.21 7904.93 7601.75 7977.19 8021.62 8377.64 8013.08 7352.2 7566.32 7342.31 Syringaresinol 649.06 366.66 768.98 8686.94 7233.81 2576.73 5863.03 987.65 744.52 299.07 606.22 766.21 3832.24 309.08 198.51 663.65 711.44 1133.2 771.19 361.5 1135.98 989.62 187.71 630.07 217.32 297.38 2195.1 492.9 948.67 496.88 185.44 781.84 645.57 918.17 761.74 191.74 879.56 785.82 185.91 1307.08 3433.71 1391.47 1005.65 378.18 850.21 4762.54 716.71 975.47 954.8 1167.37 1413.12 771.83 881.36 1368.68 1714.8 709.17 286.33 798.55 204.31 1692.1 723.06 767.84 520.76 329.47 853.96 406.07 729.54 776.27 721.24 877.58 716.71 815.59 953.14 1177.75 994.52 2177.67 2256.37 1848.05 2212.24 2136.01 2212.94 2194.72 2137.79 2130.89 Leu-Leu-Gly 5978.43 6289.36 14115.8 12460.09 8300.03 5995.39 19639.98 8839.6 6504.71 13418.58 15682.18 15329.46 13463.6 12680.94 14091 27040.58 20616.21 4543.57 23604.43 8107.32 19264.27 4574.71 10139.2 15131.05 9259 10075.74 16814.93 13479.91 7825.37 9164.87 9280.7 22444.85 4359.66 16934.12 16959.48 3060.78 9740.33 6799.61 13147.85 14717.27 2083.18 14331.71 10510.88 11114.21 27676.62 14353.4 5688.81 17784.55 13574.99 29870.38 2347.64 3805.38 12159.6 19828.71 2994.11 11345.94 21348.22 7517.39 4848.16 5831.72 12442.79 14455.19 9149.23 23160.79 14723.52 18134.83 9021.79 18797.35 10898.55 4848.15 6234.21 13530.1 14936.61 23275.35 16696.17 12338.14 12335.11 11563.75 12348.71 12416.8 6367.2 11112.1 12519.45 12337.93 Artemisinin 3422.97 3451.79 1356.39 2376.96 4067.42 856.3 3552.06 7891.63 5186.74 3907.72 1455.92 2149.5 4354.56 1720 3353.23 1658.74 814.9 809.97 505.75 7395.13 3543.63 3497.04 9458.79 4612.14 6900.16 572.18 2846.21 3269.47 1989.5 1741.42 1393.29 7050.29 4257.47 4947.91 2106.12 4230.06 6693.04 5943.73 3395.34 1634.92 4613.42 6753.43 3139.42 1073.11 1524.97 3798.22 4915.31 3492.38 2110.95 6859.63 3353.41 4782.37 1436.24 2508.38 4683.27 3438.97 1729.28 2649.04 4382.29 3861.88 2729.69 2514.12 4906.06 2041.5 2982.27 6320.31 8942.61 2489.53 3982.42 4795.71 5521.07 2575.96 1106.5 3467.08 2644.02 4375.15 4725.4 4852.07 5306.83 4829.46 3214.84 4607.55 4389.09 4760.75 2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium 1546.46 1250.79 2921.34 1487.36 1818 1777.31 1227.1 1703.94 869.04 623.64 1625.96 496.37 448.44 1769.07 974.24 1621.7 1846.32 1017.29 1048.36 786.8 1503.53 1232.49 2384.89 2066.96 919.88 2721.56 1067.73 1946.49 1270.53 1747.26 1778.71 2101.51 781.46 1845.9 2182.67 1173.65 1623.35 536.28 1442.15 620.18 1612.54 1388.08 1407.26 1331.82 1833.13 1529.98 1523.04 1240.03 2259.19 890.02 972.87 503.22 2484.06 1614.83 1087.33 1200.2 1214.99 1189.17 651.77 1789.86 2282.31 1305.28 1523.18 1269.83 2001.09 1234.27 1445.49 1866.79 666.93 973.62 2738.07 2418.61 1488.12 1106.22 1696.98 705996.24 496248.24 739402.92 416100.78 591180.93 415429.83 659333.35 586753.06 525137.85 498624.39 596125.55 376642.28 603457.37 605301.62 539932.13 414828.96 609608.06 525192.96 816703.57 620353.09 718432.23 803271.69 625298.31 576674.84 544122.57 2018.12 1953.67 1962.2 1809.06 1812.58 1938.22 1948.84 1845.36 1801.06 3,3-Dimethylglutaric acid 12876.82 14231.87 21479.23 24037.65 19634.79 12345.39 28953.77 19107.43 18089.34 23501.2 28015.58 29665.55 30354.68 26567.46 15735 35124.7 22049.09 12461.85 35401.51 17303.74 18183.07 546.48 27578.65 27348.93 18953.83 22065.1 28157.64 32587.91 21926.75 14719.16 17159.25 42345.72 12370.09 27326.42 23661.07 16814.03 14249.32 16707.36 25997.15 23940.3 17108.03 23536.42 29995.97 21163.01 18389.56 24849.61 17482.56 33689.14 27476.4 41839.99 12905.88 13987.38 28256.59 32293.65 11189.23 15469.04 19357.94 17695.51 14574.84 628.71 18472.63 19712.69 10581.49 23719.38 20322.28 15396.55 17349.32 26309.87 23571.32 14849 15305.25 28324.11 24189.13 27203 30085.36 20845.1 20734.71 20738.49 20848.16 20644.96 20846.17 20733.5 20810.02 20845.41 (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 27366.99 398.34 311.84 588.55 22420.76 322.63 1141.62 37663.97 9076.87 524.51 3440.16 20248.81 2991.55 6973.23 9028.14 400.56 423.68 416.46 10001.56 16269.77 511.51 3680 2115.23 420.35 26314 475.64 7513.02 32106.31 31199.71 43706.08 63201.42 11801.92 4920.56 2541.77 292.27 2693.95 15371.72 584.73 2727.04 7432.98 57606.14 30114.16 4641.57 2974.11 25650.68 5893.21 18117.59 5567.85 16080.11 15268.03 22743.18 1359.53 648.39 3469.96 18464.2 462.95 1563.48 1586.3 6817.53 806.39 1258.39 2277.04 1590.3 3089.39 6115.99 11898.28 2420.69 16199.34 17024.06 15848.33 407.42 7174.68 12016.21 774.42 2890.12 11329.81 11345.95 11349.09 11237.02 11349.04 11348.58 10977.01 11236.11 11559.36 N-(2-Furoyl)glycine 2571.9 1942.28 4636.94 6242.22 1601.51 1351.83 7216.68 1886.85 2747.39 2379.62 3228.06 2966.04 4970.38 3748.71 1787.24 6054.8 4178.49 2224.81 2483.62 2107.76 2892.99 1798.33 2980.79 4384.92 1713.4 1059.55 2102.85 2836.25 2082.46 951.52 2665.51 961.8 758.61 3730.19 5530.19 2094.09 2837.43 2887.17 2851.85 2376.41 1413.9 2900.58 4288.27 5120.61 1326.86 4043.99 1459.88 2448.84 777.23 2584.13 2826.72 1964.84 3612.71 2589.96 3017.12 1942.13 5514.53 3484.12 375.31 1957.32 3883.55 4780.96 2170.58 6168.22 2493.39 2426.98 2287.93 2304.8 4282.47 2969.62 1218.21 3142.28 4253.33 5567.13 7371.79 3873.96 3661.45 4289.49 3980.41 3978.65 3901.78 3938.33 3876.67 3974.44 Boldenone 1318.99 568.07 1248.76 492.83 2531.03 2494.66 2401.09 1119.68 3034.89 874.83 1390.55 2897.21 4110.2 3525.66 1089.91 3710.25 1800.72 4307.34 2834.1 5500.87 1695.16 1269.04 2042.67 1778.39 3062.37 2015.73 1549.16 501.24 8326.42 2762.43 5822.67 2464.19 1926.15 1644.88 1502.56 6056.3 2027.26 1788.78 1389.91 364.6 7885.01 3120.11 1990.71 1609.93 5960.1 6189.52 5109.79 3707.84 6548.82 2634.42 2861.22 2705.32 1880.87 2490.72 1785.07 2028.19 651.72 416.21 1523.09 2180.18 384.33 857.61 1881.09 1680.58 1808.16 3135.84 3276.33 2116.93 1011.18 2254.52 2178.32 1733.23 2862.11 2113.18 2929.07 2930.1 3079.6 3034.78 3074.76 2895.57 2933.54 3475.41 3071.76 2665.96 Ritalinic acid 9920.09 5900.43 6262.93 6648.99 11518.18 4673.58 4978.73 1303.05 10729.87 2075.84 4966.84 2763.88 4361.98 7690.12 5091.67 7909.68 3781.96 4274.21 7035.9 5671.04 6896.09 1067.57 2814.19 9782.66 4631.1 5908.48 7142.14 10223.85 8425.3 9772.78 7512.45 6967.9 3307.29 6672.62 4412.14 7879.49 5958.01 5515.32 9445.5 7203.36 7401 899.73 6435.79 5300.07 9868.07 3124.89 9905.69 5608.96 4084.84 5433.76 4380.43 6545.67 6437.87 6390.27 6126.43 7253.09 12111.22 7500.5 4935.53 15531.02 9941.87 13862.66 10296.22 15179.47 11666.27 8212.02 12758.48 14016.45 15538.58 7619.28 10516.75 9462.86 8926.86 14962.71 7862.64 3895.47 3659.15 1944.59 3791.82 3921.87 3844.8 3869.4 3869.94 3617.48 Irbesartan 2604.03 2987.01 1264.59 1615.62 2239.34 3110.29 560.08 2437.46 3846.5 1528.12 2663.96 3276.23 1617.55 1984.18 2611.13 1192.33 791.27 3452.69 4935.81 6134.39 3385.6 1807.88 973.85 2180.85 2808.9 2853.02 1364.92 1800.51 5329.75 2262.21 4259 8739.01 2742.95 582.06 459.5 1283.9 1003.93 1158.47 506.29 944.12 498.18 6114.48 521.87 592.88 2666.74 1210.2 596.1 589.77 1989.42 549.38 608.18 1457.81 454.32 684.24 518.99 470.21 824.01 435.11 815.54 564.22 766.23 599.32 904.96 788.33 758.2 1092.99 2335.59 680.69 427.86 1265.95 1417.61 998.42 861.23 864.59 808.29 1191.99 2222.95 2256.34 3026.57 964.2 3295.37 3555.31 2532.31 795.38 1534.94 1641.59 2958.89 1081.84 3112.2 2175.7 2023.17 1649.52 1631.31 2837.06 1972.16 1501.71 676.92 2478.42 1491.08 963.19 1791.18 1767.36 2028.14 1776.16 1631.44 1651.11 1784.23 1705 1214.33 Mexenone 1019.62 875.63 904.96 988.45 545.65 644.83 1376.43 1678.01 1022.87 1130.19 1800.68 948.64 1090.53 1057.33 1645.52 923.87 1038.12 1329.61 1152.33 1115.39 2003.91 1249.07 1093.19 1081.23 1004.24 1694.5 551.9 980.75 1066.58 1067.17 1133.25 935.89 2024.77 1046.77 1182.49 1097.1 1409.96 1145.41 2117.76 1168.26 873.29 881.91 793.51 1091.41 840.31 920.44 804.23 874.86 1002.29 804.08 976.21 1677.56 987 1105.67 1151.53 863.81 1036.14 2509.39 1958.92 997.8 1027.18 1092.6 815.06 795.32 1031.08 829.76 947.4 1171.22 1759.86 969.88 1097.42 1497.86 930.06 693.79 937.63 3279.96 3471.62 3484.5 3725.38 3459.43 3608.08 3599.2 3592.28 3595.5 Proline-Hydroxyproline 4035.25 3750.47 4065.69 554.23 5031.55 8820.15 7256.34 4678.31 7605.67 4643.71 7190.07 5262.5 6935.36 4795.49 9400.25 10630.61 10331.31 1704.78 6162.55 7248.74 919.72 3050.14 1692.32 5682.42 4480.87 2819.07 4696.59 3287.35 5990.51 5620.76 6321.1 7035.33 6085.9 3339.83 4961.06 5079.22 5052.47 4463.29 3979.41 5089.65 6567.12 5259.15 7822.9 2552.12 1973.13 1029.38 8254.94 6803.3 5015.94 7726.8 5967.75 4741.1 4403.2 8024.91 4901.22 7369.93 6188.43 5260.25 5638.69 3527.37 6278.28 1384.74 5176.21 10199.83 8987.15 2723.41 9646.57 2055.4 7127.29 7210.71 6943.24 7676.78 12110.67 7083.9 9708.61 5426.3 6374.49 4652.38 5364.71 7417.98 5573.12 6063.9 5774.84 5148.82 Vanilloloside 697.11 1439.5 3541.86 4431.06 2553.33 1272.43 3644.6 576.31 726.03 4671.5 2505.26 584.43 3226.6 3835.89 618.61 3949.04 2767.25 4272.22 3255.28 1744.64 2270.14 1855.56 1166.45 2741.78 727.33 1036.84 2617.51 3024.85 676.25 2545.18 1972.59 1423.97 2621.7 3495.32 1240.13 998.48 1421.87 1797.1 3506.81 4190.43 2284.73 1590.97 6183.65 2247.08 749.35 1787.77 2761.96 1448.06 2592.83 1736.21 6037.42 1628.78 4277.6 5105.62 2844.51 3825.69 2924.78 3987.55 2203.51 561.22 3714.97 2049.54 2119.35 4390.34 3281.21 3606.94 3941.24 5108.08 1075.03 3748.43 3521.14 3426.84 4730.48 1582.42 5586.88 1872.65 2294.99 2302.05 2159.72 2135.11 2289.81 2141.7 2503.65 2268.66 5-Methoxy-L-Tryptophan 25878.82 63675.55 23165.81 21533.01 11717.14 78163.11 36459.58 25454.74 31442.42 34481.79 17475.03 10737.53 21324.53 20131.78 66805.48 33750.02 25175.12 17946.22 16166.19 18496.59 17549.85 39133.05 16442.86 41260.45 551.84 53794.75 37716.76 15493.65 18724.5 10288.67 16295.9 22148.46 30971.36 35804.48 29687.47 17428.82 30820.06 56829.54 25486.82 24953.89 49982.48 34244.54 29596.06 20450.19 30472.56 20194.89 21417.86 39912.52 45777.78 22347.8 26297.62 35247.3 24657.25 32177.34 20192.42 38217.47 20526.73 18435.68 26171.91 41800.85 19713.57 21219.12 26617.27 29187.4 19516.27 27670.98 24397.99 23655.49 24266.16 27034.1 31792.64 44778.22 24762.16 37263.48 23903.73 23551.01 23548.91 23530.83 23610.38 23163.82 22906.76 23530.89 23548.84 23058.1 Finasteride 4044 2558.11 4308.09 2352.61 12416.37 4428.83 5460.69 3567.14 5502.36 5181.38 3661.38 1015.26 2862.39 4260.86 4206.48 2373.26 1283.92 3168.61 21993.95 4257.93 3382.83 803.77 6293.79 5844.27 4455.01 1243.13 7610.71 892.44 11389.03 3494.13 3822.64 5054.58 3877.46 5440.68 5622.89 6397.15 1412.42 2196.83 2714.01 2365.8 3802.35 4688.87 4251.66 872.07 964.34 7105.48 2175.91 6251.68 23150.16 7959.2 1433.02 3476.17 5300.69 4702.45 3426.64 4008.19 993.44 1093.97 1510.29 1915.93 3534.44 5456.22 2226.1 2902.25 1806.62 4535.26 1519.18 4186.9 2688.51 4655.92 2319.13 4446.83 1198.71 4597.84 7135.2 4227.81 547.71 4466.51 3611.96 3589.91 3819.25 4046.37 3679.72 3958.5 3277.93 956.45 3576.27 4205.36 3314.91 631.82 3310.55 3559.02 2718.95 3751.32 1790.9 3570.83 2297.09 1122.82 2114.42 2125 2338.63 2201.86 2500.45 2180.6 2323.16 2481.04 1912.08 Metoclopramide 10744.84 15857.3 575.1 4456.25 9566.88 22650.25 5062.83 19744.2 19297.57 9452.01 515 5499.88 5626.24 5793.42 16522.41 10499.38 2924.81 8713.95 12301.83 27702.93 16787.51 10777.87 4000.68 852.33 15538.04 16499.08 4328.49 3714.18 21263.6 803.86 18408.63 7847.93 11622.26 3542.15 3688.9 4532.34 11461.85 7312.83 3215.68 900.95 9530.6 18065.31 6892.49 3782.81 18241.62 5461.52 16173.73 9618.39 2238.95 4230.64 4965.14 14880.05 2449.35 6480.92 9513.63 11199.52 2698.66 4925.18 6219.41 3850.03 2464.81 1424.65 9346.03 4477.41 5663.03 13389.22 18522.38 4884.19 3477.3 16964 17315.36 5917.23 4961.96 5114.47 5115.02 8830.84 8824.08 8898.94 8263.12 8246.18 8420 8404.98 8886.84 8807.56 Carnitine C16:0 2371.39 651.1 3152.08 7015.11 2148.39 6167.14 20340.11 2056.08 3183.57 1036.04 1780.69 3614.44 14003.13 2273.94 4052.19 13712.4 3266.97 2855.28 371.43 7941.3 6693.38 2459.68 3165.64 5449.09 2340.17 1957.92 1069.73 632.73 1448.79 4059.63 2933.04 18001.7 5305.13 843 1872.58 1676.65 4025.17 2191.71 922.93 1008.62 20739.36 5276.67 3335.77 3177.71 14158.84 15837.13 2010.29 8996 831.1 12321.78 2044.61 1928.43 3516.82 9820.93 4544.99 3321.06 5253.41 3083.07 5195.1 6239.31 482.98 1249.9 2704.9 4062.85 2969.58 1729.63 2373.6 1575.91 426.8 2424.71 2538.89 715.19 2718.61 9107.94 17937.98 5482.34 5128.77 2809.98 4533.18 5463.07 5501.54 5503.76 5145.5 5451.34 Sulfameter 4648.17 7978.72 6474.3 7338.68 7313.04 8548.7 7948.73 3004.41 4265.93 5369.38 5643.93 5103.81 5060.3 9026.23 5030.69 5915.07 6356.8 5161.75 7630.12 3494.92 2876.14 7964.68 8055 9444.34 7175.28 4637.56 8081.51 6340.71 6985.06 743.1 4824.49 7570.31 6059 7721.94 8631.82 7504.98 7355.9 7955.53 9196.64 8760.05 3079.31 7835.44 9088.66 6818.7 6355.49 6456.27 8148.38 11610.71 8291.48 6277.28 5343.58 8551.44 8245.72 7799.21 8355.51 8764.43 5719.7 6375.28 7068.54 8480.78 8946.82 5257.78 5803.82 8087.45 6037.26 8336.27 2048.95 9918.82 7333.21 5887.96 2859.31 7766.5 5262.39 7917.21 5666.26 7100.52 7091.54 6570.94 7139.53 6949.13 6825.85 7126.75 6854.56 7088.14 2'-Hydroxy-5'-methylacetophenone 8773.3 19967.98 4194.2 5106.68 9816.33 4778.1 7562.55 11022.6 529.29 12320.84 5677.71 8266.87 10424.95 8871.31 12199.23 8148.83 5860.51 9507.43 13893.61 1328.47 628.73 584.49 5796.28 6880.55 13737.19 7711.98 11911.96 9771.56 15300.4 797.87 2476.47 12426.11 9650.46 5065.19 4267.57 13411.07 7807.73 6627.04 5852.87 8710.94 3796.78 10019.01 6158.54 5760.88 6868.01 6128.1 7898.58 17401.34 7566.53 11710.81 6002.39 8222.4 5546.78 6194.8 7169.78 11685.67 5302.03 5265 8642.17 4472.41 4484.8 9289.7 6955.55 4573.41 7327.79 10498.63 5726.57 11324.89 10279.04 9361.27 8512.09 10221.81 6257.25 7226.69 6740.85 8068.65 8154.59 8076.93 8187.83 8105.05 8073.04 8575.92 8065.16 8057.27 Dexmedetomidine 718.3 1100.01 628.25 917.15 4420.14 3039.28 2176.26 3176.91 2517.12 887.4 727.46 1559.63 1292.67 2223.83 4366.62 821.45 1210.92 7802.44 6312.03 1690.91 1280.05 2390.56 914.14 797.59 1723.91 609.82 1446.63 922.58 2929.25 650.25 1584.53 5411.82 4168.12 630.82 803.64 4860.09 3819.45 588.15 853.07 1090.91 602.21 2821.85 2435.34 1031.97 2800.05 724.43 2997.64 2288 1598.65 2544.27 2000.22 3368.22 939.81 1366.13 924.79 3571.83 1629.33 618.96 4563.54 1242.32 495.06 828.66 1751.99 1932.35 1389.12 701.38 763.33 970.2 1189.22 4461.44 678.77 1585.48 2972.33 1074.09 1516.17 1912.82 1916.27 1885.91 1936.34 1734.34 1825 1895.26 1914.3 1345.45 Torsemide 612.3 10174.74 1489.16 1296.63 9440.09 2219.15 7203.72 12795.4 16535.62 11686.9 7996.5 9536.97 1646.5 3657.1 12522 7998.1 7055.68 10880.68 8872.01 15153.41 8371.56 1422.54 2730.93 6518.75 16704.41 11229.3 10755.89 4537.3 12847.45 7151.11 14297.48 7925.31 7864.24 8576.74 3572.27 11400.23 11568.19 7938.47 7705.14 7047.22 14439.06 14739.43 9494.43 7775.71 12179.86 8081.32 14055.49 7471.76 7323.26 8014.35 9040.67 11530.87 9548.71 8148.85 9798.2 9205.98 1449.91 1034.28 8804.49 5372.36 6031.64 6295.88 6677.96 6281.95 6118.19 11933.58 12871.29 8657.61 8925.05 11246.96 14545.15 10292.82 8055.3 10402.23 9005.43 9313.91 8936.75 9292.66 8964.14 10155.77 8940.16 9284.26 7630.94 8914.46 Succinylacetone 443.8 1195.02 2033.01 1202.23 1319.3 1033.25 2325.49 2164.91 1187.48 1607.71 2236.24 852.14 1099.53 361.72 3783.71 462.38 1327.52 1465.26 2074.62 12384.84 1487.51 3118.8 780.2 675.39 1304.87 2971.38 1556.95 1459.19 1011.96 1382.15 1465.31 696.15 395.75 504.95 1099.9 2447.06 1576.11 777 625.87 484.1 379.94 843.52 362.86 1337.97 1187.49 801.93 2827.62 1483.75 1017.5 2619.12 2292.27 1003.84 485.17 1241.02 1058.53 1084.75 495.37 969.4 1071.25 325.99 382.95 1337.28 318.48 360.54 817.47 3260.44 366.72 1479.24 1041.48 2224.77 953.47 570.97 509.47 1555.7 1365.45 2002.63 2053.56 2021.06 1871.02 1700.42 2030.11 1978.98 2471.39 1852.51 Perillyl alcohol 56200.23 64808.7 48865.3 49274.54 77143.15 102828.69 76085.54 81617.37 86150.72 66806.52 50304.23 52855.11 57417.05 47250.67 65577.03 62919.34 43460.99 60083.23 66003.04 78944.68 71558.64 51442.93 45054.97 58660.21 72039.44 78460.22 52864.06 58280.12 86907.05 31409.03 80751.92 72271 47440.5 60111.06 58134.65 79205.41 65102.79 73635.22 55807.05 49339.56 89042.9 94516.96 59963.4 47569.56 75105.44 50981.32 78514.6 60400.09 49054.51 74608.46 49654.1 63131.67 56483.47 65335.34 46840.93 60459.55 38634.48 32309.76 57524.38 52943.11 37880.37 38311.68 50716.63 54263.21 44779.36 74421.93 73078.75 47186.13 51581.22 66423.91 64578.15 63988.44 53835.83 56250.7 57179.75 62177.92 61627.99 62118.74 62618.38 62123.06 61766.55 62124.33 61775.41 60976.38 Betamipron 1064.46 643.4 1925.35 696.97 834.1 1937.51 2211.3 3042.39 2505.22 2142.13 2711.23 1250.49 1064.9 1623.08 1453.79 1910.87 1651.46 1994.55 1972.7 3546.47 1226.03 1636.68 1870.36 403.75 718.87 1644.15 1987.36 880.2 14695.33 1051.34 1113.94 686.23 454.05 1175.13 823.69 483.26 605.15 514.45 1901.09 1804.76 15781.79 2107.51 1147.18 1345.87 1130.42 544.44 1011.49 545.54 8048.99 626.24 2171.65 18229.29 1551.25 1009.93 500.34 1815.31 1522.57 1160.27 2382.16 1624.93 623.99 809.27 1915.56 1682.3 788.97 1501.37 436.11 1321.6 1252.66 2321.85 1666.76 531.78 1329.38 1925.24 493.72 1396.36 1391.16 1484.16 1632.2 1528.88 1533.29 1679.27 1633 1627.96 Rasagiline 12756.13 11264.11 2728.55 5780.24 8551.34 12160.21 11044.62 13253.22 10894.89 10230.6 8733.12 10692.83 10958.92 12683.05 9458.26 10931.84 6654.71 11500.85 13600.88 7240.29 8914.84 4539.63 6943.65 7735.96 10434.03 11072.91 8526.34 10198.95 17020.29 3333.96 12421.79 19046.47 6566.84 7724.74 8887.17 14010.52 9725.26 8540.05 7609.49 7917.82 11698.13 19448.48 8736.02 8165.2 13972.28 12753.12 12798.16 10040.04 12314.09 16984.39 12079.76 10016.35 7901.67 10712.85 9023.03 9971.62 3630.92 3733.29 7797.49 4685.85 5872.68 6082.11 9152.49 5392.95 3471.16 13051.02 7994.48 7784.4 8256.19 8856.97 8782.03 9753.56 8032.41 7303.02 8339.35 10203.58 10115.71 10094.12 10160.66 10091.77 10091.8 10095.3 9882.7 10204 Eicosadienoic acid 3236.97 3531.34 6861.93 10217.81 13391.55 20623.42 5296.78 3965.56 3651.15 2857.04 1986.94 2013.71 10709.48 6118.73 6126.7 5826.93 4184.16 5445.27 6490.22 7116.28 4851.1 6225.02 2815.93 4208.87 3627.96 4144.19 1661.45 2200.59 13235.71 2271.02 4567.83 4289.45 2542.82 8240.42 7656.43 4594.62 3663.3 6329.7 4135 4759.21 4838.68 7881.9 6798.69 5849.82 7820.3 10629.62 8111.55 6056.05 3219.84 9039.91 4014.59 8881.21 9442.79 14559.47 7585.01 10020.74 6875.98 7738.03 3587.65 7596.12 4790.13 5227.29 10384.54 8616.18 4968.57 9590.48 7437.01 4053.24 3867.71 5012.41 3679.3 3239.16 5472.56 14799.63 12260.22 8964.24 13020.98 9329.51 5853.65 6763.91 7674.23 6380.99 21685.42 17693.06 7138.29 7066.56 8996.96 15913.08 15216.47 4454.94 11017.04 8268.24 8228.01 12112.38 5706.45 6307.03 9308.2 9333.48 8576.59 8861.79 7649.04 7638.85 7902.33 7640.62 7667.06 7668.4 7690.62 7599.4 7707.99 Tropicamide 14157.5 14326.63 17308.53 11992.58 14781.71 19955.94 11117.55 5857.4 17871.63 13488.55 11544.68 12423.25 9599.66 15713.73 14743.15 12977.24 8493.26 14882.16 15484.63 14090.71 14670.4 7837.2 11156.75 12196.01 18334.3 20008.13 9272.23 13621.65 22454.53 3238.59 18546.47 13156.06 10038.79 14488.39 10851.5 17808.88 12433.74 15246.11 10799.69 11391.77 14140.23 13744.98 12378.51 7881.27 22069.66 11585.1 19129.19 12375.95 11701.21 20740.84 14732.78 14083.25 11982.15 9943.71 8862.14 15985.75 6618.87 6243.95 11693.73 11569.88 7165.44 8717.1 11183.82 9825.61 7416.61 13136.03 27872.96 11030.24 11391.41 12809.79 13283.41 12605.99 10807.07 9662.88 13437.08 3537.3 2116.0 1963.53 2019.56 1428.41 4516.87 3656.79 3774.71 3253.37 3474.8 1894.0 1828.44 2341.71 2170.49 2369.86 1870.45 4224.58 3876.91 3643.47 2399.17 3971.01 2806.15 4296.6 4478.5 3344.95 14714.5 14963.5 13666.32 14737.15 14445.79 14463.49 16361.03 14864.19 14702.64 2-Phenylacetamide 4283.81 3593.81 9419.49 5136.63 3349.66 2977.96 6096.42 2315.97 3832.63 2977.9 4780.14 5498.32 6037.3 5802.63 2507.71 4606.38 3465.53 1914.87 2767.8 2769.12 4558.17 563.32 5595.93 4875.26 2260.89 5007.53 2016.56 3709.18 1806 2114.67 2006.02 496.03 1158.47 4324.33 4403.86 943.11 3497.91 2922.57 7040.66 2419.64 1043.56 2788.09 3696.8 7223.87 2283.68 8893.73 2087.71 1779.35 6150.19 3571.76 6103.61 6283.25 3888.19 5018.73 4633.18 3391.74 5926.85 3337.06 1448.76 4513.31 3646.88 5592.04 4081.29 4147.83 1666.21 3537.63 2710.27 3530.98 3581.03 2617.07 2969 3039.78 4738.36 6408.26 12444.81 4024.8 4002.74 4023.37 4021.04 3883.39 3986.94 4119.13 3952.13 3976.79 Glimepiride 30180.25 15461.37 505.89 524.7 39208.51 23431.56 5891.92 37158.39 38365.6 21070.14 12239.12 23720.11 16669.59 14594.39 21849.38 29383.48 8697.72 22242.87 1753.91 3835.46 33818.82 2626.34 11180.31 11942.56 30810.51 23993.59 15264.03 9703.57 1321.39 15361.28 24993.24 48392.25 15507.64 28352.47 9655.96 24544.15 23211.67 14443.18 7969.91 12030.23 13643.23 36438.07 14878.84 6952.75 35597.14 9899.13 24251.42 20681.02 30554.08 34192.89 35370.28 25099.14 11696.82 8316.27 24391.59 14611.12 2331.69 6936.59 21729.5 4738.42 7890.75 8431.92 22147.24 16261.71 10235.55 31948.28 32954.66 14551.08 10847.06 30221.43 20969.95 21779.92 19331.92 12333.83 9568.16 21654.47 20352.18 20725.6 20340.71 20610.7 20355.68 20265.3 20399.17 20354.34 Ginkgolide B 707.19 821.34 358.5 551.16 308.55 437.41 659.71 911.88 743.98 1603.25 660.84 1050.31 619.59 701.37 797.2 717.83 341.57 312.33 2877.39 502.65 1057.02 547.32 321.71 342.52 851.96 1464.5 1961.92 567.6 607.09 534.63 670.61 936.34 316.23 799.34 517.65 1506.05 757.05 1537.33 438.4 601.24 959.97 628.92 326.16 792.97 806.33 420.5 696.74 737.19 513.75 1098.24 572.46 558.72 689.14 621.34 927.51 1049.97 633.74 724.5 677.4 1258.67 302.44 670.19 648.97 455.9 488.32 744.68 970.58 1285.2 459.33 838.93 719.39 1120.89 610.66 411.99 521.33 2879.79 4396.39 4783.23 3552.46 2354.01 3968.34 7875.59 2115.11 4309.26 2161.83 1604.08 1658.61 2501.03 1104.84 2602.11 1534.15 2931.78 3524.09 2959.11 3099.15 3477.76 3193.98 2080.38 2391.51 1963.16 1162.68 1145.64 1112.57 1031.84 1116.91 1293.56 997.46 988.28 791.43 Alcaftadine 815.29 2544.43 570.32 2861.21 4832.21 2677.49 4645.52 3355 4762.18 2004.08 1325.08 4556.96 4344.14 1231.4 2003.39 1065.17 1765.71 2737.8 4245.24 2331.63 3168.04 642.72 3248.28 1079.29 890.33 3272.12 1627.92 2826.95 2694.41 1497.94 1539.25 698.97 2821.74 2406.24 1487.79 1989.91 3803.63 670.32 3593.69 2167.83 4562.6 7048.65 1926.8 2070.88 2379.49 3655.26 1498.05 4144.79 1602.55 6238.9 2625.03 4466.77 2471.45 3045.19 1552 3943.35 898.42 813.72 2156.56 636.73 1349.78 2025.73 484.51 2664.87 929.71 3625.5 4156.9 1613.12 2112.72 1345.6 4252.95 1931.11 2047.61 2891.7 4498.91 3293.16 3162.54 3175.74 2173.31 3025.79 3016.72 3174.88 3053.37 3008.19 Etodolac 54227.84 34526.7 2385.4 2772.16 61308.25 85359.57 9698.5 88323.87 53218.33 57491.94 4693.19 31564.23 2814.26 41312.99 91221.93 55277.57 2389.68 135919.35 127064.37 56553.85 198788.21 84129.32 39779.37 29828.62 85601.04 140234.08 2730.27 1831.08 106777.78 59247.36 48989.91 149175.02 97053.89 104473.48 11266.74 93523.58 93297.55 27328.91 12831.85 5703.3 23234.28 105875.36 60587.23 42251.92 90463.5 12865.46 65625.33 68916.96 90070.9 76754.76 61473.66 74372.62 38059.76 8433.15 57872.39 66819.31 2389.11 15208.6 129444.35 11397.74 25127.81 27128.73 74742.55 54987.03 50733.66 70122.25 24965.29 19934.25 18707.53 214255 50232.16 72543.97 52989.17 6472.43 13200.37 2698.56 1779.47 3013.98 1775.41 1603.93 2053.41 1719.88 1141.9 1173.55 842.35 1234.77 1340.66 1318.56 2248.18 990.63 2427.17 2998.26 3549.06 1899.95 2179.18 2001.85 1761.76 2539.65 1183.24 1717.02 58032.43 57911.49 58943.28 58260.44 58884.91 59503.91 57934.88 62051.52 51586.22 Ronidazole 3333.87 24637.71 4147.23 5169.23 4676.97 4318.25 5466.43 4363.79 3892.48 14300.44 755.17 2320.28 10376.67 2727.27 1434.51 1324.21 8442.09 3232.51 3959.29 2468.78 2177.19 4202.19 9651.15 6324.64 759.16 632.4 5266.3 4347.5 3122.83 3850.69 2566.71 936.15 3341.16 14009.95 7371.59 694.86 4214.02 660.04 1604.76 4498.11 2272.28 3761.5 5143.08 1773.43 3246.14 2090.53 3336.17 6385.74 603.82 425.68 3223.73 30918.6 7554.66 5476.16 1737.87 13166.2 3721.7 3452.78 892.05 2579.3 8066.19 24580.08 1729.23 4715.92 2802.66 2490.12 3052.1 2945.29 4870.97 3560.14 3294.09 22656.74 4315.33 11862.91 1808.97 4698.27 4886.83 4358.19 4388.47 4615.95 4599.54 4699.34 4596.36 4732.52 Androstanedione 2497.09 4752.87 2776.11 4885.14 2458.56 2606.46 5203.03 9843.03 5249 2206 5219.41 1925.86 1684.29 7739.76 2887.3 3521.27 3378.72 2483.2 2432.88 1587.71 2588.23 3470.41 3860.87 3762.93 1253.56 5651.62 4084.05 4680.64 3164.64 3860.51 6087.23 4635.5 3732.25 3890.82 1007.54 3954.81 4320.74 4454.01 2187.87 1921.56 5352.86 3261.94 3792.31 3894.93 2183.94 3549.01 2890.9 3734.53 927.8 3097.98 5843.06 5579.77 4585.5 5025.15 4098.21 3497.51 2610.08 4910.15 4772.26 3163.48 2947.76 3017.82 2937.05 3237.97 6543.42 5058.03 1940.11 3643.47 5613.62 5116.21 4658.5 5233.24 3448.94 871.25 3871.83 2819.27 2742.52 2761.6 2544.31 1647.99 2664.85 2580.36 2741.82 2697.69 Lactitol 18754.82 6471.79 8834.32 7213.42 18220.55 16983.48 14216.49 20160.53 37955.21 10241.24 13803.58 12209.45 7855.03 4578.04 11141.37 6967.76 9814.62 18608.25 11583.85 29879.37 4300.85 457.44 5374.84 5991.54 14672.37 14407.29 10349.62 13101.19 16557.79 5089.84 15500.31 18478.68 5036.01 3719.39 4648.27 16771.91 11817.89 1408.94 9896.27 4223.24 18635.87 21660.12 1986.77 4454.59 13134.14 7213.06 16205.46 11510.11 9275.1 9099.82 15754.04 12432.79 5983.62 9033.34 9430.91 9515.77 2460.76 4495.56 14197.09 2751.76 8889.09 3913.74 9734.71 3479.31 9980.63 4707.55 2289.04 7880.07 10524.89 4194.35 3583.57 11668.53 4937 5503.97 2359.58 5491.7 5912.33 5366.14 6482.4 5285.89 4106.93 6056.37 5653.9 6070.2 5065.11 3922.29 2866.92 7643.13 5592.12 5283.01 5360.08 6158.41 8277.32 7325.89 5924.39 6533.58 6768.7 4256.02 4829.73 7043.0 11524.03 6199.98 12524.28 11908.93 11573.7 14663.45 11648.99 13169.84 12267.12 FFA(20:1) 2292.47 2869.82 1042.49 1026.54 2317.04 2061.2 1799.51 1443.54 4266.74 3787.36 1276.47 1480.68 2894.01 2237.76 2235.51 2457.73 2453.14 2366.36 2337.23 4008.14 4866.27 3504.08 1793.74 1473.43 3399.53 4847.03 2265.25 4020.92 2724.85 5007.28 4530.51 2308.29 2644.13 5801.63 859.25 3946.21 3113.49 6489.09 3577.69 2493.04 3984.7 3830.26 2698.83 3855.43 2688.58 6188.95 5020.95 3208.11 3340.59 3435.29 3825.46 3534.96 5425.53 1996.9 2364.65 3213.34 2333.97 2812.69 2916.3 4026.18 2651.48 1357.14 1109.69 3683.78 1985.28 2867.85 2789.6 3057.67 2666.61 3102.91 4154.59 3500.96 2631.89 2319.07 2061.75 25702.09 50322.14 39810.74 31504.7 29823.51 21684.9 25810.52 113674.05 76291.54 27067.61 25510.34 43441.54 67418.75 90186.41 20014.3 61307.91 28684.37 35417.02 43850.29 28084.13 35516.1 40460.32 46859.58 43733.06 42440.23 1696.52 1534.19 1663.96 1340.97 1673.07 1709.57 1746.49 1688.42 1586.22 N-Acetyl-D-lactosamine 3097.26 2998.32 939.86 5239.41 817.19 2738.13 12498.83 3694.53 752.48 2983.51 2107.72 1871.73 9890.28 3683.23 5523.88 6741.54 1773.76 1881.76 4327.86 3185.72 8634.58 2794.64 3352.3 2320.99 3777.25 1328.64 876.39 4475.48 4355.27 2594.65 818.7 5498.44 2051.45 7687.9 7470.17 621.01 6835.82 1384.52 3215.49 6895.81 2016.86 2772.68 2896.87 4488.64 2761.99 14309.62 3774.21 1526.35 2066.5 3864.98 4270.23 1752.93 6037.08 15422.76 8892.3 2919.66 994.86 4110.72 2241.71 7866.67 628.63 1562.13 3902.4 13085.24 4769.21 3580.56 1096.64 5354.09 4963.54 1065.22 4066.58 4545.39 3424.89 11734.2 7672.76 77769.91 45268.35 88817.32 60113.37 73073.83 53799.68 110900.54 60725.18 44844.64 74321.98 55711.77 40157.48 142373.75 56200.65 46372.52 44700.35 61657.82 99323.61 81269.03 46812.23 153393.3 52776.68 59367.29 43710.57 41522.54 5112.77 5536.84 5226.67 5131.31 5510.76 5449.28 4924.88 5568.1 5177.8 Androsterone 814.55 4235.46 4572.8 2688.19 9287.6 2512.57 3722.63 8281.76 2587.92 1152.94 1886.21 6024.74 6359.1 2616.49 2543.05 4404.11 4544.02 6219.33 8436.16 2768.17 4340.75 4064.54 5506.85 3053.48 4036.55 1912.91 733.41 1292.25 11883.95 2837.33 834.83 2158.86 9425.75 6747.08 3545.99 10771.34 5241.25 4327.62 3129.31 1711.43 1808.3 3040.55 4152.15 1187.44 5247.76 2772.5 4641.3 9805.08 6510.78 3544.64 7711.11 9184.39 12256.06 5144.05 8004.3 4457.47 5400.78 921.04 9197.39 2590.4 5951.52 5501.95 7766.31 8593.05 4623.32 4904.49 2718.52 1361.32 885.46 8019.48 3888.32 630.52 3622.6 2877.85 3648.29 5714.17 5812.9 5815.21 5707.52 5729.04 6079.43 5588.57 5840.44 5727.63 Tolbutamide 29074.42 22308.36 5593.61 8646.86 25770.74 15084.85 10172.54 45279.21 43354.91 33669.71 10693.63 20964.88 13970.53 15163.13 24467.47 18090.74 9981.51 25684.59 27951.86 23397.25 30298.84 9556.39 9689.88 11198.42 44740.13 35566.51 20866.75 31211.8 50146.33 23514.17 43533.6 30798.44 17447.11 12312.63 9480.93 45690.4 29144.78 16409.66 15127.19 17170.22 34786.39 48290.05 10660.11 10981.31 39791.77 10389.49 42780.6 20421.64 38281.61 32895.19 28568.66 16118.86 9155.13 14524.23 24402.72 17101.87 4621.1 6452.07 22717.02 8582.19 6788.66 9119.34 14470.3 11437.16 13299.16 30406.54 18691.88 24155.78 25091.12 32095.32 36470.03 24467.92 19221.84 12361.7 12157.07 24713.16 25007.9 24810 24881.92 24757.07 24500.13 24709.33 24458.16 24886.71 Cynarine 8563.57 9304.61 823.72 4011.53 5791.47 2470.92 2820.23 10072.12 9456.48 5012.04 2391.12 3370.73 2179.23 3193.49 9942.81 5734.95 1479.39 6224.61 2044.52 11509.21 7466.38 495.48 2267.34 3255.46 6975.65 6751.86 5042.97 7840.43 8601.71 3043.85 8331.52 5159.35 6974.95 2151.18 536.5 7513.15 8527.03 3869.78 3004 4594.36 9594.99 9056.37 2001.6 1861.98 6922.57 919.34 10628.39 3692.28 5664.17 8149.93 9778.73 3845.74 2200.46 3108.28 6901.76 5010.03 457.03 1666.15 11683.03 690.64 2321.79 648.82 4363.84 3134.13 1556.71 7137.19 9165.02 4188.56 5752.62 9703.18 13864.78 4822.17 6176.09 1967.13 3489.05 6535.16 6443.22 6616.22 6487.46 6728.72 5564.18 6732.68 6678.8 7374.57 Mebendazole 180847.11 103392.78 36675.71 48917.73 167021.93 101773.06 84738.73 216978.86 229189.67 141006.54 75042.76 120780 69496.37 92110.15 159763.63 133930.63 74924.72 151150.19 131880.95 235436.3 186096.57 56094.78 47598.08 73830.71 198140.05 143474.97 96371.16 146413.49 209608.11 162256.92 220273.49 141732.08 102828.29 69340.45 63196.02 197456.66 178400 94353.87 87529.18 106581.54 237500.57 225424.52 67661.6 71687.97 170536.4 100369.23 227201.85 120800.16 157994.72 172882.87 152594.65 87318.37 61032.62 87052.93 140357.21 88743.09 33465.19 33438.02 155186.11 57086.37 54319.52 47780.49 99471.84 73879.41 102920.11 163632.98 156612.05 121399.76 139105.7 176564.47 195714.8 119706.52 145765.57 76231.14 94490.74 144867.84 144327.16 144326.26 143742.29 143971.24 141790.68 144085.2 142936.79 144332.73 Xylometazoline hydrochloride 1306.23 810.64 3632.84 2386.2 7612.26 8506.7 13637.65 740.32 1400.62 3172.64 1498.07 1040.71 7401.16 1607.91 3758.34 1172.62 1612.03 813.85 3537.41 909.29 1126.41 3374.27 1496.28 1517.37 1114.78 534.1 861.04 799.36 3174.74 2027.82 1195.9 4100.39 1078.44 2922.33 2993.16 648.77 1133.05 748.16 1489.71 3410.07 2607.93 1981.47 1335.89 2356.61 1258.13 14393.68 1318.99 859.37 1127.27 2137.82 1176.65 858.58 3291.9 4997.33 2339.06 874.57 5758.85 2381.1 737.95 1504.66 1756.8 796.17 968.12 2751.71 792.41 853.35 1027.86 2426.55 1656.42 1155.98 822.47 3109.5 1250.61 6425.72 535.32 2154.58 2215.56 2356.96 2373.84 2341.22 2670.47 2305.83 2361.72 1625.81 Pimozide 13748.97 15942.77 1905.53 5219.34 23795.64 17873.14 14897.13 22791.56 39712.79 20041.08 2174.82 18673.77 10541.79 1075.12 13271.01 16598.97 8716.26 9260.93 19135.38 27915.97 4783.16 11566.15 7299.03 9695.27 23286.22 19586.45 12817.68 14302.25 20092.13 16381.98 25639.07 8737.71 19187.87 14446.94 9110.72 23445.45 18341 16099.75 11843.09 8883.67 27866.77 31169.63 11810.74 7226.35 27508.08 13544.39 29876.41 12046.86 13783.36 4501.99 18662.2 12503.19 5228 3734.66 13549.22 5225.06 4318.31 603.26 19599 8700.58 8009.81 2863.2 11859.85 6174.41 6452.27 18309.51 33544.02 9175.76 7752.06 18719.05 22509.02 19007.15 5454.61 3053.62 4074.79 15839.83 16542.48 14964.39 16436.24 14623.48 15063.72 12953.75 15246.64 15928.11 5-Methoxytryptamine 3134.55 2485.6 1723.25 2259.93 4309.85 3136.18 650.62 3142.16 460.4 2895.6 2270.92 2295.43 2540.58 1666.29 4092.45 1066.03 2871.58 2002.2 2375.73 3243.54 990.89 2497.4 1401.93 2827.69 4142.23 3478.22 2224.22 3657.09 4357.18 2857.75 3088.81 2998.27 3017.78 2884.08 3163.23 3563.26 3834.77 3363.53 2850.74 3307.56 5309.39 3811.06 2358.72 2652.52 4204.64 3042.42 3146.25 3546.28 3633.3 1985.92 1589.25 1766.23 3174.66 3039.51 2835.68 2623.3 2271.52 2442.99 3092.15 2973.33 2086.97 2528.39 3874.66 2604.8 1539.71 3426.73 4379.51 2692.24 2785.82 3010.27 1909.8 2475.39 3135.23 2805.96 3176.14 3371.43 3278.01 3129.25 3362.94 3280.98 3303.56 3559.79 3377.06 3319.53 Taurochenodeoxycholic acid 9445.4 7563.64 4784.91 1541.18 7112.12 3895.21 14282.08 6996.64 22004.56 9294.2 4945.52 10324.11 5372.81 5181.37 12899.89 13539.85 2543.3 16100.09 14892.16 13071.06 6074.68 3556.04 8811.09 8243.67 17411.71 21163.21 17958.85 12835.17 38342.32 9315.22 12775.82 14915.76 7237.88 8213.45 958.81 21421.41 10274.49 8976.5 4075.41 5806.17 25164.64 14860.85 5926.97 7888.72 20790.95 7192.41 8671.22 13206.83 6185.14 14083.12 3178.98 11084.23 6938.4 14542.82 5534.12 8223.2 1785.01 5260.73 7022.69 6919.37 3027.62 416.09 8444.35 5598.81 2463.37 12202.98 12409.72 10041.92 7722.62 10278.12 9375.11 19846.27 8572.34 7280.91 10444.98 11048.29 11368.95 11363.95 11312.54 11377.98 11058.92 11197.28 11367.24 11425.48 Triacetin 11179.64 12717.88 8820.11 10384.44 10842.99 11999.99 12074.24 23542 11468.23 14021.47 12008.24 11564.47 13887.37 14434.12 1750.42 12581.8 9704.66 9250.12 15552.95 5579.43 9971.77 8240.55 8970.91 10920.43 6494.02 12763.61 12923.04 13482.43 10805.64 3017.23 11046.61 18580.55 7816.08 13874.31 10768.18 12646.53 10724.76 10332.07 12244.34 11597.51 8935.65 16573.48 12275.71 10542.1 12391.7 14086.62 8701.94 12562.79 13502.68 16726.66 11798.16 14492.13 13423.16 16549.08 18512 12471.4 8374.13 7924.61 9164.9 9514.57 9989.58 9552.16 10673.9 10494.61 3527.91 10613.72 6355.59 13584.2 9553.55 7421.62 9026.71 12733.36 10998.82 11591.62 13605.8 2325.25 3995.21 2444.85 2312.34 2670.91 1378.42 3229.0 2304.37 4302.62 1993.22 3294.08 3678.2 2213.61 2322.96 1953.52 1927.2 3685.57 2504.84 3521.93 3820.22 2162.92 2518.36 2297.01 3840.92 2632.53 12356.2 12609.3 12909.54 11702.51 12358.71 12392.05 12462.38 12449.6 12397.36 L-Histidine 5298.68 10220.09 6012.1 4793.62 9268.16 17833.11 1324.31 406.18 363.45 1772.34 1163.76 1513.64 3781.93 3037.95 12550.81 20199.65 2958.74 11201.12 5550.55 5636.5 6068.28 15976.13 2571.81 3447.98 6021.47 10330.37 3091.34 2141.04 8879.56 560.01 8507.78 6403.32 5723.99 14775.78 5356.96 6844.72 10508.23 9653.08 4279.53 4793.39 8336.59 8860.68 13577.6 12633.71 10265.1 10462.04 11209.31 7099.28 3414.23 8960.22 8204.74 11109.7 4468.94 7712.64 7192.63 11538.25 6155 5757.58 3574.8 11369.88 5888.73 7639.86 9031.82 8279.61 17321.74 9532.05 15063.53 4761.15 5215.75 9366.93 9898.01 9259.09 6338.31 7413.69 18668.8 10680.79 10331 10238.9 10726.98 13456.24 9765.54 6904.05 10591.08 10073.94 8-Hydroxyguanosine 10382.28 12071.14 8138.37 8983.39 19040.28 24603.78 5944.2 17379.3 15633.59 7160.23 9370.11 9080.56 10332.69 7660.94 9835.65 16586.55 7678.06 12422.79 10669.66 20809.45 15997.88 11755.89 7408.92 11383.64 16220.1 12533.12 11607.97 12635.76 17313.21 10697.7 15152.11 16173.59 6309.33 5855.79 11613.4 18092.22 14881.94 6983.22 6307.13 6394.5 8605.5 19693.33 6901.13 8887.67 20844.77 8902.01 15754.33 14974.46 11341.88 17707.43 10606.35 11957.46 10463.32 12975.78 10309.84 14679.19 8162.9 3003.36 12572.37 13564.5 9518.1 9229.86 11136.33 9065.15 8426.97 18314.72 18130.67 8947.41 12001.2 17106.47 18984.34 12581.86 12075.19 11440.61 7412.84 12197.04 13040.05 12443.44 12397.72 12605.92 12568.64 12430.32 12446.64 9850.48 Sodium dehydrocholate 20685.32 19621.41 23408.35 46783.3 222593.46 114064.87 81315.13 38073.01 19387 21507.44 20688.47 11740.71 3769.77 19875.29 12484.37 7505.46 9995.25 11031.36 24199.56 12529.51 23972.46 10034.51 13739.42 24439.55 18987.96 8773.65 20564.76 19101.28 21875.39 21484.55 17582.53 23075.2 8119.87 46123.61 11107.16 14295.33 18723.56 19981.29 17337.18 23143.77 63051.97 25557.64 20891.3 20328.82 16394.26 23247.07 35189.97 17907.75 16552.08 17127.17 22767.04 13415.54 13058.51 20971.83 27052.16 15419.06 7284.42 12210.05 23991.15 26353.29 30469.7 24400.33 20615.73 13478.1 18033.54 24799.68 18254.06 24666.69 13641.07 24301.63 14102.12 67157.7 12410.63 12110.83 25602.39 25330.99 25267.09 24048.27 24400.37 24361.79 25275.76 25264.26 25372 25256.55 Abietic acid 10545.02 2287.12 822.15 9728.24 7730.82 28304.58 26462.1 8858.73 4512.47 1932.48 541.93 4596.23 1166.48 1553.83 3603.84 1007.8 1230.95 6048.87 2110.28 6356.37 13566.8 2315.16 797.62 1041.94 11885.86 10096.35 2060.69 712.17 985.81 2212.66 1544.04 1973.05 5307.37 1734.77 751.37 7582.03 8272.03 8382.43 1644.9 1236.84 6792.52 9987.58 973.24 917.84 8529.32 4276.45 4546.65 8237.85 3763.62 1353.04 6605.39 3202.72 1033.23 2357.46 6262.03 5449.94 1801.03 729.37 8613.33 2648.59 894.82 1309.85 7311.49 781.78 2384.42 10885.22 9462.11 1298.91 1246.94 14757.64 6803.85 434.62 1085.33 2243.09 1024.25 4450.23 4995.38 4910.38 5033.67 5045.85 5195.2 5035.75 5010.16 4903.6 Theobromine 508.32 516.53 1648.6 3648.34 1255.69 16259.3 889.04 302.89 419.88 2343.49 200.71 470.84 512.45 323.6 114.63 611.04 669.51 85.06 430.02 559.55 351.25 10759.89 246.64 151.6 307.33 2204.39 350.85 196.62 380.7 316.63 549.85 386.81 77.72 3498.9 1321.29 115.28 86.11 13088.22 92.77 233.06 813.71 1145.04 304.8 155.18 108.22 431.69 155.18 164.33 408.47 107.24 871.34 483.79 274.22 97.27 155.59 78.4 5783.01 5634.88 432.27 10543.34 226.38 228.92 834.82 154.38 134.29 81.06 444.25 87.32 264.83 115.33 337.68 152.74 340.67 507.56 158.38 17951.41 14521.4 31965.22 24097.1 29522.27 25730.21 53603.84 27232.67 12356.54 15056.14 26144.19 11956.57 40242.36 22563.47 14889.82 22858.83 20655.71 19543.71 29680.66 20850.77 64564.89 17667.55 29638.88 28201.2 69023.64 2800.03 2787.89 2799.81 2785.97 2783.33 2798.74 2804.09 2773.26 2787.65 Nicotinamide N-oxide 39282.18 18571.01 35914.94 67496.77 71384.31 38825.41 121910 38519.38 32439.24 26187.65 34747.71 37879.89 136424.08 44396.65 34431.96 52298.9 27963.85 43100.48 12357.72 21981.75 37024.72 792.69 31649.86 29040.99 39617.56 40753.7 25988.45 31384.78 28942.9 40727.05 30002.47 61332.64 10769.64 34550.56 31922.21 33566.58 12466.28 19091.29 26604.92 33070.46 16290.88 30332.7 20555.49 17022.34 29967.75 216436.62 30813.46 10062.12 15180.58 76707.89 112725.94 46837.5 36675.81 67085.51 14826.07 22774.19 37568.76 30426.77 21212.37 15827.72 33265.17 38725.29 54498.43 56039.94 33293.37 52842.93 25782.87 34510.27 25126.82 34566.15 19866.56 28890.55 21180.03 33692.81 15199.24 34287.97 37949.54 33514.7 33398.16 33768.83 33882.11 16749.89 33793.45 32185.39 Sulfadoxine 266574.57 195594.51 56271.15 77259.71 248246.01 186412.78 131951.07 362837.76 369327.56 176089.34 117315.93 131442.76 43551.37 114299.07 257988.81 179749.59 122920.59 249059.94 166789.87 393266.03 278964.91 74807.54 58847.34 110669.92 278869.47 209063.55 131864.66 161394.22 357101.84 152994.94 329252.9 169904.72 167889.39 78760.94 100664.09 259690.19 308356.78 168838.75 114735.87 162953.65 282184.44 269946.72 112453.94 107227.37 280274.41 85812.64 379655.92 190742.21 133977.61 261966.86 169224.24 153057.03 94059.51 106546.51 209888.55 160034.37 57111.12 64763.5 243615.4 63242.97 85564.07 64085.97 161963.13 127276.47 165965.45 212057.76 265648.65 138359.2 192558.4 291339.1 328387.43 180942.63 218866.16 120932.85 138591.84 209541.42 205851.88 205846.13 205845.54 206664.21 205838.02 205307.01 206658.33 206661.16 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone 564.19 269.61 119.9 12549.25 10692.55 15638.32 31103.6 244.01 948.8 197.3 731.03 814.88 6359.19 1072.33 133.39 625.53 108.72 770.97 103.17 544.77 209.59 135.56 792.01 143.78 107.35 577.88 253.32 717.78 977.6 315.12 592.63 255.88 554.19 2383.58 1150.39 205.61 165.54 1032.06 692.82 346.75 15031.99 1550.31 262.13 166.77 840.99 7407.43 115.14 129.7 190.81 401.25 2071.01 500.69 417.77 719.55 2630.69 374.7 228.82 879.73 294.55 1686.92 253.56 1438.59 651.28 395.54 133.39 1240.32 137.63 1204 213.24 210.56 1240.53 241.65 750.16 576.64 1702.69 8600.28 12655.47 8639.65 8553.82 8589.22 15610.45 11606.0 10068.57 8347.61 8069.28 12746.6 7964.13 16742.92 11439.27 7727.96 23571.62 24072.03 11717.26 13669.91 10047.38 17335.48 10962.85 9547.42 18150.64 12753.08 3108.04 3092.62 3122.33 3092.82 3095.72 3092.82 3107.8 3077.95 3103.09 LPC(20:3/0:0) 922.32 21955.74 1732.9 23771.52 14776.32 4512.54 48611.48 22677 17871.24 18853.36 4590.84 6978.36 2973.2 20260.7 21191.25 2645.53 2231.03 7627.76 20839.92 17383.63 19574.82 14287.76 18419.04 18928.43 1056.63 546.88 19962.36 20352.26 3140.12 1173.18 19540.42 23098.4 19796.39 22150.02 15087.8 16894.74 23454.6 24827.38 15799.97 21214.95 16285.05 8162.02 13104.7 20988 18573.1 18248.86 18857.34 15508.62 4052.63 19357.43 12374.34 19519.77 14867.85 14350.45 12156.85 17906.09 18785.03 20433.18 22024.93 23121.2 20692.24 21540.12 18814.17 16194.03 13638.03 11541.34 15199.43 21215.57 17744.93 15009.2 19888.89 20320.25 16626.85 15534.29 15281.95 9237.07 2035.11 11204.37 7906.88 9567.71 9543.88 2430.41 11415.69 10405.74 926.1 1156.07 5697.07 2581.34 8185.07 2224.67 2534.94 1700.69 11426.39 5106.45 2121.89 2247.9 1768.94 5646.38 7387.47 5499.66 17098.57 17474.73 18230.81 17286.53 16899.6 17665.08 17295.35 17805.95 17574.82 Ganciclovir 18586.28 25141.99 10089.9 480.62 4891.43 8189.12 585.14 30032.85 48551.75 26843.77 13806.15 48002.62 4212.13 31049.08 29933.3 27011.89 17394.94 52316.83 37352.04 71007.33 37058.7 5796.01 10554.39 13621.23 29756.38 44828.85 10373.33 10858.2 40923.05 15926.42 81116.5 43777.19 33566.01 6544.19 10871.75 47624.03 25648.51 20410.76 9623.63 11235.4 49964.17 34299.58 25991.43 20905.85 60691.62 7084.01 47401.57 36794.65 18306.65 46501.86 3600.75 33294.64 20157.81 9056.14 15217.76 29661.16 13528.63 12468.68 24793.52 1954.18 4432.92 7432.64 18032.6 25620.74 28259.21 23366.45 43504.28 19555.77 27098.66 24901.8 38200.9 23177.35 13231.38 16173.48 12249.35 27774.33 27498.41 27499.91 27477.97 27233.85 27785.9 27730.26 27921.51 27750.19 Phytic acid 10655.69 604.81 9849.23 353.37 476.24 784.8 1561.1 829.9 645.2 2205.18 809.66 733.15 373.05 377.94 747.94 632.04 914.38 893.55 635.86 1662.46 564.01 616.74 407.01 411.54 453.15 793.49 595.44 535.4 1039.93 364.67 376.9 1453.94 370.85 4161.43 2530.64 738.45 3209.83 3175.11 3911.95 1913.79 4757.03 4643.59 1773.87 1875.1 2981.48 2134.22 1061.75 1032.38 367.95 460 1633.16 3423.12 1430.99 3217.95 3266.05 2639.18 1699.43 1007.82 1407.76 3044.61 2198.82 2242.24 3659.23 1770.3 1710.34 2651.84 3461.35 1398.53 1857.54 1652.74 2679.63 3082.52 1627.51 3288.46 1770.17 2523.1 2521.72 2458.35 2458.54 2275.7 2519.18 2462.17 2463.71 2475.94 Alvimopan 268.01 68.15 135.6 6592.98 31103.94 29112.64 24052.72 100.51 226.68 225.32 213.78 317.6 99.82 172.59 286.86 627.52 202.84 240.69 192.64 359.78 115.96 190.48 313.59 102.19 158.27 246.67 266.28 67.23 230.7 184.69 672.14 185.55 69.22 507.58 215.47 55.14 349.68 577.01 361.21 292.41 10057.59 1077.13 139.95 361.63 57.19 2110.99 267.34 307.94 167.47 107.25 759.88 560.04 240.69 114.82 458.69 76.88 550.79 334.77 390.35 1066.21 459.36 150.89 228.9 127.47 272.25 415.85 527.07 463.81 98.13 362.89 110.38 61.62 86 180.8 381.82 2662.73 2838.4 2462.06 2655.4 1954.53 2452.25 2515.13 2480.84 2420.65 4-Nitrophenol 1852.5 710.61 737.62 743.09 1429.12 1104.89 806.39 3276.85 2679.44 463.82 701.73 771.67 1096.83 865.69 1461.59 879.3 531.53 1657.25 989.01 2463.76 2065.75 738.04 760.28 564.78 2169.3 1153.83 960.52 1546.64 2417.35 1906.65 2795.1 926.47 899.55 908.42 1001.15 2016.32 2120.57 466.6 602.22 961.29 1660.98 2132.05 564.19 1109.88 2052.41 759.53 2127.54 947.88 2040.03 2130.88 1376.36 983.38 843.7 569.97 1009.84 1119.39 738.84 694.49 674.57 999.8 748.98 947.7 1049.75 996.88 903.91 1277.48 1384.11 1487.82 1677.77 1919.55 2886.96 838.08 2114.51 1054.87 877.21 1177.24 1247.81 1207.92 1238.54 1240.91 1274.09 1099.22 1190.35 1237.29 Ochratoxin A 14818.97 18002.61 18456.33 17649.15 12729.75 12758.27 21610.97 25954.51 17462.59 18306.25 25375.18 17004.99 12946.29 19672.19 17193.59 17373.75 15150.04 18067.23 16934.98 16605.99 20929.66 14382.53 14055.72 19689.13 16434.1 18643.53 20004.53 19092.76 15438.8 17494.95 16970.79 18011.95 12029.91 19693.31 18629.69 18494.44 18858.62 17192.37 20114.3 19409.25 16079.01 17948 20204.37 19372.77 18132.39 18839.76 19643.05 17937.73 16911.93 15239.63 15996.35 17935.5 20089.3 18996.15 22660.02 17439.71 18490.36 19816.51 16901.33 19240.33 20147.7 20325.13 21307.16 21629.39 20778.37 17508.68 18595.33 21595.96 19890.36 19166.79 16867.58 19799.75 19401.75 20319.38 20065.05 13638.74 16653.22 13010.25 12615.17 12491.18 13058.03 12706.35 13114.91 12433.49 11697.32 11130.89 12650.2 12112.45 12213.71 12932.92 14158.54 12666.52 13971.62 11872.25 12362.68 12450.72 12637.83 12177.56 12148.9 11913.1 18280.17 18322.92 18321.92 18278.3 18438.25 18344.6 18373.88 17862.16 18708.65 N-(3-Indolylacetyl)-L-alanine 8937.85 13634.17 7469.55 9909.58 31637.78 35004.31 12107.37 13007.32 14934.24 13140.23 8437.59 9816.14 9771.97 8007.05 13513.11 15496.26 8939.94 14979.89 19175.32 28416.98 13876.15 17834.49 7964.09 12363.32 11976.34 13305.68 8599.97 7186.42 13583.82 5326.03 15992.99 17112.37 8673.16 11833.32 9749.39 10828.09 11156.58 15015.39 6136.54 8070.42 13034.76 17740.7 10911.18 7413.37 17656.2 10782.41 14785.07 10603.75 6708.33 17473.65 10733.65 12095.3 17250.68 12626.54 8202.31 11944.4 7286.08 6545.04 10878.33 10424.75 5872.08 8145.55 10186.84 11975.49 7654.1 19615.9 19688.7 10178.61 8679.53 10530.76 11667.34 10761.36 9122.09 12681.08 16442.31 12374.26 12504.93 12344.39 12376.79 12336.95 12196.96 12504.85 12505.91 12379.94 2-Hydroxymyristic acid 867.57 2523.48 3510.6 3049.33 1245.33 3905.44 1532.92 1421.69 1498.7 1402.73 1322.91 2036.34 4476.51 3572.69 1520.02 2461.52 2695.35 2570.79 3180.4 3365.59 2498.58 3240.77 3408.59 2402.8 2033.01 1493.75 605.17 700.49 1935.95 1197.34 3141.08 5308.67 1773.2 2842.93 2031.63 899.83 1445.15 3494.98 3828.41 1522.91 2877.19 5007.04 3169.7 2360.97 4387.57 5637.76 2430.46 3101.13 3374.71 7184.3 3772.05 3959.32 2469.64 3542.55 1831.58 2316.59 3689.4 2346.49 1369.3 1424.96 3080.67 2631.89 3050.44 1493.17 1409.36 4482.2 4253.19 2222.64 1770.48 740.76 1275.89 1701.48 1886.15 3000.88 3809.83 3443.73 3609.82 3662.15 3610.32 3662.92 3610.9 3662.03 3664.09 3608.45 Pregnanetriol 3449.18 3847.21 19484.18 4098.88 5401.32 9534.85 907.95 914.79 3601.46 1528.06 2912.83 7486.38 10738.4 8314.59 8922.73 16184.69 5299.78 6483.67 6972.16 8294.14 8187.97 4397.66 528.6 1912.39 419.25 1064.27 748.51 3512.12 1055.4 4488.07 5959.27 7807.24 785.01 5118.44 6795.36 4020.33 1522.27 4820.95 3753.21 3202.44 6568.95 7468.69 7892.51 4172.03 6315.61 1731.89 3616.07 5045.01 2961.45 16042.78 5472.13 3989.66 3543.68 8741.92 9584.65 5922.52 24273.49 3049.67 2224.91 4996.29 18917.8 11119.81 8356.42 4466.17 1841.52 5869.51 8953.31 2862.49 3039.27 1221.95 3165.42 4555.97 3528.33 5884.9 12714.08 8357.55 8699.67 8862.33 8698.83 5414.56 8239.28 8432.12 8191.65 7968.96 Glycine dehydrocholic acid 1729.96 3843.85 1072.71 441.34 5937.11 1569.29 1661.89 6668.4 3537.22 3849.67 948.4 982.22 7359.59 4698.41 4584.11 1887.9 3644.88 12196.45 4552.23 1501.13 4049.39 3051.22 2011.48 816 3126.67 1907.33 2049.99 1923.79 3556.28 2302.93 1672.08 4264.19 3422.87 4072.57 1070.47 2705.6 1959.64 1908.76 2580.55 812.05 3149.23 6950.53 1289.83 3377.2 3456.36 1105.4 4292.99 5335.53 1763.38 4077.04 6267.74 4101.95 4155.25 3939.04 2021.62 1655.35 1274.55 1830.55 3571.41 3046.28 642.52 3003.15 2148.68 2935.38 2384.98 3213.47 6210.47 1816.35 2714.39 6364.27 3343.24 1957.88 1135.74 4016.45 3022.71 4113.92 4692.05 3588.93 4982.99 2849.96 5614.01 4554.71 4408.4 3786.97 Metyrapone 4221.49 2632.04 2383.57 4039.14 4028.38 5727.02 1258.19 2151.84 3893.55 3204.31 4568.31 3364.39 1702.02 5174.71 3025.89 5957.51 2622.97 4601.2 4474.1 2412.25 1707.72 733.55 1803.18 3084.35 2567.57 2211.66 4793.92 5837.91 3103.25 896.35 2004.96 8218.84 1660.89 3859.08 3464.58 1965.34 2545.9 1737.03 4062.9 1875.92 2905.06 4711.53 4512.37 2984.01 2934.53 3117.73 3582.63 2716.64 4044.64 5311.52 3134.78 1916.39 4483.23 4923.88 1706.87 1769.23 1420.15 2094.19 2025.43 924.82 3050.13 1898.91 1911.51 2563.26 2248.58 2645.79 2460.89 3307.29 3592.63 2532.44 2579.08 2526.21 2899.98 2608.33 5195.96 3881 3871.27 3850.47 3896.94 4065.88 3757.25 3752.54 3733.48 3703.27 Pulegone 998.19 3319.28 3480.23 3605.41 734.3 1922.06 2217.63 3860.64 830.73 2722.71 2182.69 2372.3 4503.41 1461.72 5125.79 1569.73 1257.9 1584.18 4309.01 1529.69 1539.19 1173.77 3168.19 2499.32 3991.4 1854.98 2076.9 950.39 4317.62 1439.62 1443.91 2553.12 1189.67 2822.73 1565.75 3887.62 1664.84 1405.87 2079.56 1163.53 1275.75 2033.74 3148.76 1192.98 2149.78 2286.17 2822.08 5015.07 3113.77 2925.39 1269.04 2070.04 2449.75 3046.57 1179.17 3765.94 2650.61 2870.32 2770.68 907.29 2191.21 2680.74 1988.26 2336.26 2687.4 1825.24 2430.78 3304.26 3021.38 3170.51 3394.1 1053.78 586.25 2173.01 2582.03 1538.23 2173.85 2260.86 2083.46 2070 2120.04 2183.19 2180.33 2137.19 Ramelteon 6126.68 4562.03 1272.15 2869.59 17072.08 21760.57 16835.12 7143.28 7808.56 1283.7 5308.13 4451.53 6003.01 4219.81 5344.26 6665.51 3397.89 5299.57 5685.2 6163.41 8124.84 3108.51 3811.8 3343.47 2940.88 9543.09 3553.81 4531.44 7352.94 3520.46 4645.15 5646.67 3220.28 4258.51 6118.72 5974.97 2323.83 2675.3 719.1 2441.67 6781.9 10273.33 3209.15 3429.36 6591.2 26640.88 6094.74 3325.5 5326.84 12573.05 4608.37 2326.16 3672.84 4046.12 4895.94 3285.53 802.78 3665.79 3219.26 3232.46 1215.66 4779.44 4093.07 2555.66 1604.88 7350.31 5504.03 4891.14 4059.52 5536.41 4887.29 2713.44 2251.44 6064.35 4402.52 4746.72 4574.81 4555.53 4732.23 4735.12 4720.92 4577.66 3994.98 4850.72 Pyrrolidine 29727.64 26680.36 69295.61 58310.76 36071.77 25350.3 74558.41 45066.33 8973.57 31063.52 56570.12 61098.42 66814.87 46700.66 32703.23 42382.74 29734.56 35013.96 41569.03 30660.35 41341.16 13573.89 46593.53 43309.44 42672.44 18658.76 33248.55 40486.71 21617.31 13785.17 23221.99 30765.42 15365.44 48135.93 46511.1 26252.63 30275.25 19480.42 53597.48 43840.26 11701.4 18805.85 45269.31 40365.19 25731.74 85805.29 27631.3 28264.35 47655.61 24410.95 66097.64 29278.75 53853.57 86320.87 40841.21 30544.99 52489.99 34308.02 18365.31 29736.11 34676.31 37914.26 42444.13 48612.43 32206.07 37690.87 29935.4 30669.58 31987.01 35201.16 24485.82 22666.99 40433.25 46435.46 58134.79 39038.94 39523.47 39050.34 39742.89 39410.84 39072.01 37308.17 39524.39 39770.86 N-Palmitoylglycine 40121.5 47790.4 15384.75 35975.79 56335.84 42516.76 33410.17 38637.56 34756.78 13718.24 10177.37 14181.85 20383.02 30557.47 43844.05 48298.42 38080.66 39933.62 44710.98 46947.22 16369.72 13286.95 15020.88 24124.74 34739.74 38755.63 24601.01 19408.18 19621.93 14124.77 26234.68 38353.82 8875.47 10987.28 27221.87 38229.3 30424.04 9396.94 6733.66 12189.82 31650.15 36043.92 21219.47 33258.88 31411.05 11026.34 43227.47 32664.76 12995.57 36497.83 12673.22 17566.94 7065.88 12553.99 50217.59 38008.59 26370.52 18677.38 23002.97 17215.37 17694.11 13883.74 39018.86 15837.62 13200.95 35364.15 36481.3 35431.57 50179.07 46166.87 27783.16 31738.82 13533.05 29066.51 40386 27212.86 22361.72 27905.61 22438.01 23193.36 22321.96 25415.36 22672.63 22830.41 22152.91 25880.7 26384.28 26321.07 26188.99 27820.23 22712.41 26061.56 27214.46 24657.17 24659.73 22729.92 25356.73 22084.58 22197.17 22779.51 27804.78 27341 27520.9 27286.11 27354.32 27528.38 27130.72 27525.34 27188.42 Omeprazole 55591.47 44789.15 12375.79 15236.36 55508.4 45324.47 24841.25 65250.88 63630.67 35257.11 15933.67 18952.1 1884.71 19998.7 44855.72 33280.68 22150.7 39038.46 26719.63 57802.47 43282.2 13613.03 8622.6 23757.24 49855.86 41596.41 25718.11 30081.15 66035.65 29408.37 56957.62 37810.68 20451.26 20355.36 18862.95 43854.69 54236.19 29814.35 19618.86 27910.6 45927.13 44600.52 21759.88 19012.89 51267.12 13538.44 66346.85 34553.6 27228.3 43819.46 33146.28 26873.31 21934 25554.58 37831.73 29869.57 13519.53 14656.49 41769.74 15912.87 16826.39 15790.43 29779.02 24271.9 29923.05 37771.79 50950.72 27303.93 36044.7 52689.97 67732.1 33494.77 39379.98 24589.69 29318.87 37534.55 37502.3 37714.27 37987.69 37852.54 37783.78 36885.64 37533.47 37531.75 Dexrazoxane 37320.59 27189.84 7799.78 11905.44 49060.43 31357.89 1281.58 28024.45 54074.56 27885.22 9724.78 20014.96 24344.47 20070.77 40380.78 31324.39 5778.12 37401.16 30238.19 56409.92 41660.45 2555.39 4599.76 4954.08 40415.52 38074.35 18877.65 19713.68 35474.62 10157.73 45212.78 38788.61 20109.01 23503.47 9199.12 40332.28 41538.74 11012.71 16704.08 13895.26 39628.92 43400.62 3885.08 9218.99 46373.01 20219.22 39306.94 34050.14 19473.07 36682.96 35938 34435.17 15337.58 25567.76 6884.02 33510.62 8260.72 2351.79 37215.5 18633.32 3387.38 10805.83 27480.61 6948.82 11157.31 35211.75 41833.33 20584.11 16607.13 9004.18 29590.47 28090.44 17224.23 18922.66 18922.36 31008.27 31257.5 32961.71 29294.62 31574.82 31061.47 31038.82 31127.27 31252.79 Aminohippuric acid 2521.74 2742.46 1256.09 835.68 3656.82 7613.68 2098.77 730.85 1527.76 1012.22 1399.64 4008.09 773.73 1700.81 3440.94 1112.35 777.53 4613.58 2905.04 1503.55 1975.67 1171.8 764.14 541.53 1741.92 2378.66 2990.21 924.6 2238.18 1616.88 2226.29 3688.22 1457.3 4762.79 5018.68 4642.76 1329.73 2189.69 2041.21 1664.12 1550.2 3689.09 3480.51 744.71 3100.56 1782.45 633.88 2586.89 862.8 2850.31 3359 1953.68 1622.87 1982.84 1928.53 2537.87 3138.24 4575.53 3263.76 4150.27 2452.94 1684.81 2476.91 3502.03 4241.74 699.53 1644 1807.04 1763.6 4088.2 483.64 1697.2 2214.44 1509.12 2252.71 2094.23 4659.89 6209.91 5837.86 5694.19 4592.62 3948.32 3400.96 5158.26 4223.99 3374.89 1260.4 2834.18 2849.02 1888.89 5184.96 3814.37 5548.85 3270.21 1602.93 3299.49 6182.38 5133.29 4975.13 3002.16 2723.64 2752.34 2534.56 2756.98 1360.25 2726.86 2488.59 2773.73 2491.3 Thiotepa 9544.13 11427.53 6462.55 7399.4 12654.17 10552.15 7964.53 11919.04 12850.01 9032.47 7509.15 7959.78 8360.41 6938.39 11429.21 9943.12 7661.33 10527.12 10157.29 17889.22 11595.46 6870.83 7817 8618.44 11461.98 11666.27 8726.31 9946.91 14170.25 8265.91 14200.89 12487.72 8090.11 8909.71 9767.78 10830.44 12005.58 7746.97 7278.11 8830.24 15648.63 17351.52 8347.36 7144.8 14483.07 8054.81 13103.63 8671.57 6943.68 12481.84 10742.54 10527.18 7301.42 10473.73 7903.33 10936.7 5334.73 5796.58 9681.47 7841.96 5212.54 7911.63 8451.01 8453.56 6529.34 11479.39 19383.06 7970.3 6603.87 10876.48 9811.45 9255.97 7578.34 8133.46 9286.68 10181.57 10115.02 10035.06 10099.3 10020.95 10064.6 10177.07 10703.79 9880.67 Miglitol 29549.24 28969.25 31899.08 29204.59 30575.89 22480.96 8267.18 27184.44 28132.34 22340.64 22255.21 18732.29 19555.27 22654.48 24213.52 18778.42 20564.8 24447.27 25495.81 18629.87 33033.43 1870.3 4472.23 28298.1 22719.63 32475.47 27390.25 27858.56 27931.92 22796.88 22062.15 28166.24 13846.82 33780.27 26826.34 31869 25133.43 8702.87 27078.77 23118.79 19449.1 22433.69 20913.56 24015.4 27772.52 18465.58 27455.54 24783.75 12409.81 19793.43 22030 21118.43 23190.54 17083.69 10737.14 22457.32 17395.15 20959.11 21328.92 14707.65 20356.03 21643.13 22834.67 23338.55 26355.36 25881.56 22341.29 31029.41 26341 27354.01 25105.71 21446.55 15851.38 17804.65 23537.24 21355.2 20459.98 20347.51 20361.7 21075.53 20366.27 18661.11 20215.76 20585.36 Ulipristal 8571.23 9589.35 1387.56 6411.77 9894.15 14335.23 11381.01 15958.25 11397.76 6005.93 5216.55 2939.79 5814.69 1786.44 8911.51 4160.23 5129.32 9327.5 8869.07 12310.39 13639.75 7405.08 1281.18 5432.86 15959.68 14303.33 5871.78 1807.7 9767.14 2863.65 4730.07 8853.06 8753.26 6689.73 4967.96 9278.29 7599.39 7653 5456.08 5327.63 12044.61 12360.22 3204.57 4266.21 10500.86 7418.27 9595.1 2871.33 5432.56 10745.22 10963.3 10022.03 5386.62 6434.11 7024.41 10085.75 3397.81 6252.01 9242.65 7581.41 4468.55 5084.43 9190.76 6751.31 5544.46 9802.6 14710.71 5047.82 3457.9 10658.31 7728.17 7015.37 5099.85 4865.01 8565.57 12146.5 15697.77 28684.31 15495.18 18966.38 10942.81 5949.77 27906.14 18393.16 2295.14 2165.03 6639.83 6025.82 24430.43 4013.4 8506.94 5935.24 22659.89 11389.41 4446.26 12223.94 5990.91 9879.38 15305.51 38205.57 7662.22 7884.29 7449.26 8002.34 7760.97 7856.94 7869.4 7492.74 5620.28 Carvedilol 2140.27 1162.33 9961.08 1935.44 1787.4 3189.47 3827.41 2826.86 1543.61 1271.72 4075.46 1225.94 431.96 451.52 942.66 6330.99 20514.14 8467.74 2846.82 906.37 770.89 7174.93 588.79 3886.01 1373.62 26488.73 2517.13 2271.58 12494.51 1162.15 1623.44 914.67 321.77 7020.18 14533.44 1330.38 923.41 9191.05 1640.15 767.89 2847.75 5103.1 6424.63 10761.58 1724.96 3253.98 9552.22 7100.5 3125.15 4011.66 2495.82 9494.7 5940.64 5541.08 3035.88 14451.9 9319.49 12180.65 3834.25 19225.52 3615.06 6814.29 1838.31 12772.72 11344.02 2380.17 2650.44 3214.41 3631.24 2547.24 859.81 4831.25 1512.99 7004.13 3879.65 6402.02 5244.51 8154.33 64759.75 17953.53 5392.77 19958.94 7042.43 3341.43 10166.6 4621.43 9012.22 10393.31 6769.51 7438.49 5373.07 12721.72 25337.97 8020.19 9876.72 8807.68 14111.5 17346.19 25765.69 9766.27 6970.19 6982.64 6838.67 6881.66 6840.7 6802.13 6828.94 7037.45 6973.53 Ribavirin 1950.85 4114.57 4058 1190.55 3055.78 4572.86 680.65 5336.47 5815.27 1593.27 3663.81 1663.04 3287 3569.79 5413.73 3837.39 2696.62 1906.31 4047.36 1835.24 5612.83 6340.35 3518.36 701.11 3541.44 7148.51 3784.86 1968.85 4052.71 2993.6 1660.79 691.87 2702.65 2557.35 1649.8 2073.98 2632.42 5032.38 3284.43 4352.18 3524.22 4497.63 3713.9 4191.58 2727.76 1884.69 3193.2 3272.73 4090.86 3033.09 1830.07 3073.11 2935.55 2262.28 2392.83 5378.79 2176.46 2549.02 3320.74 4818.14 2202.73 2693.79 5348.86 6246.3 3692.09 7257.15 4136.38 2906.75 1390.38 4606.14 4271.47 2088.63 2794.89 5725.25 3718.74 1176.92 3601.77 654.75 1033.84 1807.48 1547.78 2566.09 3421.49 4735.9 5440.46 5488.32 6989.98 4291.63 9086.21 3598.15 3615.84 3936.83 3563.62 3700.7 3742.11 3597.36 3752.01 3734.58 Maleic acid 26334.29 25242.06 27894.26 26048.24 28554.91 18072.16 14771.15 20556.51 24134.35 21648 4582.28 12795.04 15234.08 20194.45 19869.47 18194.59 17886.23 20047.31 20965.74 17385.5 13294.94 9782.52 12597.45 25872.72 27971.78 26129.52 28027.16 25734.93 26955.44 22451.6 20961.47 23770.4 10884.81 27954.46 23097.88 25961.34 23540.63 13402.11 22675.02 19490.71 16823.92 21784.06 25131.94 22058.96 24797.74 17541.38 23401.16 23218.21 14714.88 18856.85 16229.77 19299.51 20582.88 16823.61 12891.75 20979.71 19802.34 18780.58 20701.76 13498.65 19534.97 18828.58 20646.02 21514.01 22805.53 21445.42 19472.82 26362.57 23846.28 24149.67 19937.7 19718.81 14073.9 16868.57 19995.29 20733.25 20833.56 20726.47 20797.26 20700.27 20797.65 20928.9 20733.15 20733.29 Sinapic acid 22180.32 12207.58 2808.09 3612.18 19833.6 12802.36 7221.87 24536.22 23789.78 13481.97 4222.49 8037.57 3802.88 5680.62 16191.08 8616.97 3918.16 14697.49 12877.68 23849.43 17686.4 2064.21 3387.12 4840.11 20855.65 11859.13 8845.3 9794.8 22070.45 9793.08 22307.85 14636.13 11424.42 5090.21 3819.32 19574.42 17486.71 7306.71 6602.66 6667.61 21290.26 23760.73 4797 3951.87 17140.71 6807.15 22882.17 10336.71 14780.91 16014.28 14801.19 8080.04 4108.95 6214.42 12112.96 11413.01 933.67 651.54 16263.8 1056.83 2369.92 3394.85 8577.79 6622.75 7238.39 14520.04 14997.16 8292.73 9407.62 17361.32 20859.43 10700.47 9902.26 7166.88 6286.74 12463.05 12635.91 12774.43 12380.24 12269.08 12619.69 12471.31 12619.12 12462.34 Secnidazole 5115.65 4031.71 1952.53 1935.16 7042.24 10706.79 4867.31 7057.94 4079.6 2702.57 3480.75 2296.74 2942.37 2337.76 4411.3 3248.05 2541.2 5762.05 4431.92 2388.43 3533.93 5881.23 2338.67 3183.61 4884.37 6473.55 2973.71 3339.51 6716.45 644.83 3075.7 2688.19 3494.87 3472.69 4751.05 3843.03 4732.98 4905.96 3357.32 3189 2436.08 6803.01 3341.94 2005.99 7936.58 3689.04 3187.44 3231 1629.43 4651.49 4833.92 2747.76 2876.75 3544.39 3789.94 5215.05 1423.87 1567.34 3017.14 3100.58 4424.23 2401.21 3575.57 2660.16 1309.14 4882.97 2881.07 2728.92 1878.88 4574.48 2651.54 2648.53 2669.37 3372.53 4717.57 3186.29 3279.04 3279.11 3263.76 3153.12 3184.68 3315.89 3134.89 3102.38 Tinidazole 53340.59 44498.78 70990.29 86981.64 66353.65 61989.1 94658.27 61687.56 56194.61 80350.21 96958.85 92595.92 86306.8 85822.22 53400.31 124615.54 73811.84 40853.05 116566.93 67451.65 59721.53 34033.62 80613.42 99982.37 57300.55 48726.05 117825.75 128943.43 61922.08 66692.78 46806.05 129895.65 30516.92 104162.19 100076.21 57468.23 52695.22 53682.07 99686.28 87209.21 56026.2 94606.85 111684.5 82626.7 57600.77 82469.51 49119.14 90302.33 95634.49 130095.41 63723.51 46331.45 95902.61 118011.27 46148.29 44517.53 53906.74 72779.44 50125.36 34980.85 73209.88 73048 43083.32 80049.94 76501.83 62995.36 56873 83090.84 86755.81 50285.98 39714.22 91530.09 81490.89 105663.01 98203.67 73851.05 73752.88 74488.37 74494.41 76833.78 74504.16 73837.1 73838.71 73828.3 Sulfamethoxazole 338.28 545.28 5765.73 5370.82 314.8 9147.36 1344.57 1037.38 784.3 622.64 552.15 654.79 301.86 831.38 925.28 1288.28 1459.02 481.99 1984.6 691.78 998.42 5812.12 1295.64 555.93 338.08 526.35 929.91 1014.55 1458.27 304.59 400.78 1641.83 452.03 4172.85 2121.05 265.59 729.79 7554.01 419.5 353.2 539.81 321.24 1845.95 627.59 590.86 838.62 743.48 1371.64 1666.93 1674.31 385.68 443.12 458.66 451.13 1136.76 574.15 5228.16 13059.95 601.83 6144.83 914.5 2902.71 1119.45 366.9 651.87 582.69 709.19 1568.99 1391.98 345.73 391.67 1279.83 357.74 1820.43 2188.05 1629.41 1859.36 1940.36 1865.48 1922.84 1947.85 1906.26 1992.11 1927.94 Pro-Tyr 5814.22 3823.3 7509.3 7982.9 4951.89 8987.82 7201.57 6012.22 7343.76 7374.75 17431.54 8847.34 5869.81 6844.44 8310.18 13751.72 12679.34 7924.35 5847.48 6625.07 14068.9 3681.16 18078.99 10166.64 4825.44 10471.79 23981.17 13421.78 14373.78 4635.94 12550.67 12949.57 6013.06 26353.17 12032.24 7838.67 6651.26 1824.23 7720.21 5110.06 3339.75 11147.42 13623.95 8352.76 8705.14 4722.01 14588.14 21546.83 16417.68 17540.76 2854.3 12729.55 7530.35 17086.67 3832.45 8254.57 3860.63 3437.04 4046.86 5938.82 10607.55 14820.59 5529.74 11405.22 2381.86 2281.86 5324.24 10809.63 10065.6 7006.19 1624.72 12804.11 9770.27 6970.64 13794.09 3642.36 7595.51 7291.12 8034.92 6624.72 6490.57 7274.18 7858.01 6867.49 Orotidine 37270.77 40325.55 33658.93 47125.92 31634.91 12486.35 48895.36 36338.53 33667.58 23407.11 30667.11 29571.68 26790.59 34865.01 59406.2 44455.81 35093.03 48397.47 26641.73 26134.17 35341.35 13378.77 19129.39 34798.72 37076.64 19698.99 27874.9 23276.27 27920.3 493.16 35567.75 1507.58 21420.72 27469.44 33848.94 28182.93 43150.1 16108.24 33929.71 56566.33 599.27 14139.8 36101.66 36862.84 26251.12 32052.91 45255.66 39289.38 13167.82 26576.39 27939.78 38939.41 33493.12 38677.25 31692.01 47012.34 46323.06 37972.03 36876.31 24378.53 38308.98 49386.89 59931.77 59293.1 40868.74 51753.97 29158.88 31828.6 41528.29 49106.91 44273.67 31345.2 52668.05 54821.1 69145.64 31149.0 37371.76 28680.3 25739.07 27214.24 36029.41 33096.79 46322.05 45460.22 38873.83 34416.11 37102.52 30934.95 45066.33 33025.43 61332.55 42056.6 31310.84 19768.55 39891.96 53765.96 42551.4 21910.53 42230.29 23055.05 38217.1 38243.01 38380.97 36436.56 37950.22 38380.84 40296.6 37953.04 37953.74 Met-Hyp 896.51 3206.65 745.25 1304.83 2929.85 1931.44 1781.28 959 3818.68 1322.2 942.79 8143.66 1527.11 1186.47 3063.54 2928.67 2698.79 2088.47 1728.47 2828.12 2264.62 366.13 898.3 2025.45 3173.96 3166.79 2237.32 1642.89 2916.24 830.8 1950 1709.52 2680.48 1555.9 940.48 1729.29 1441.04 1983.04 1086.04 793.89 498.99 1552.15 1764.08 1124.52 816.76 994.1 2399.8 2106.17 731.63 1560.26 1161.59 989.71 875.03 1269.91 2613.84 2807.51 741.21 1047.31 1223.2 4972.85 1255.73 570.37 1506.17 448.74 1647.72 1525.6 4950.16 1283.3 953 771.44 1061.33 1702.14 1311.31 2303.09 1026.44 1851.62 2360.54 2164.07 2455.31 2392.23 2224.78 2362.96 2380.88 1693.26 Serotonin 738.95 1852.95 2350.94 2374.76 6036.21 1967.26 6340.53 9765.44 7372.59 6897.09 1829.9 2029.01 2457.6 1212.35 13946.14 2699.32 2766.18 7505.67 3228.49 5337.65 2229.09 1093.63 1067 1413.14 8244.05 7623.87 4570.95 2129.11 5053.79 1070.84 1150.74 3136.9 6473.73 2180.45 2450.44 5564.77 6638.43 1484.26 1005.81 4152.48 4358.73 5741.74 10062.73 801.92 10059.32 6282.49 6572.62 1113.01 4986.78 1812.09 6865.11 1874.5 3597.21 8099.09 4956.83 1314.31 1793.88 4320.59 2172.38 4660.46 1080.52 1428.47 16631.69 5239.26 3101.57 6330.44 3045.38 1575.06 2009.12 6757.04 8012.91 635.83 2018.24 5448.09 4343.65 2858.62 3828.15 2622.12 4041.22 2970.96 2728.02 3301.34 2668.98 3395.28 Hydrocortisone 879.03 759.95 234.68 4870.78 48812.32 13680.35 16240.81 535.52 115.7 927.02 747.38 666.26 2481.98 320.01 438.63 338.46 456.33 287.58 469.13 1008.21 84.28 427.63 303.11 524.77 605.29 873.2 668.35 648.51 142.09 316.12 245.75 2401.24 550.5 1233.1 169.9 921.27 203.07 277.65 773.02 1088.63 14591.08 2089.28 544.99 106.68 110.35 886 120.88 708.96 670.19 498.11 325.3 266.78 248.66 222.2 1044.55 757.81 751.02 652.41 227.72 3488.6 140.78 496.64 307.1 188.44 504.23 769.21 596.14 515.33 308.46 919.01 91.77 146.35 150.14 307.87 786.32 1599.45 1852.55 2420.17 2939.89 2931.07 1777.39 2784.32 1686.37 1247.54 2116.45 3051.64 1082.38 2078.89 2429.98 641.52 2064.52 2016.77 2422.42 2796.38 2223.83 3853.24 3799.42 3904.53 3767.73 3701.84 3578.68 3766.16 3914.16 3857.66 Glycine, N-[imino(phosphonoamino)methyl]-N-methyl- 6255.04 6286.18 5416.65 9866.85 3969.95 1324.8 9749.2 6282.15 5782.58 2908.81 6941.17 5158.73 3344.4 6004.61 10977.05 5509.29 3641.9 9960.57 3864.74 4547.3 6837.88 632.36 2905.55 5714.33 5066.61 3012.77 2443.16 3658.67 1527.12 2832.69 7302.75 794.56 3657.97 4652.41 5598.34 5484.55 6350.74 2211.18 8203.05 8644.42 652.72 1632.99 3442.84 6510.99 3147.76 4546.56 7933.18 7888.97 2124.36 2963.42 4839.36 7032.53 5705.41 6909.97 6274.17 8467.6 9014.96 5819.99 5297.2 4893.39 6829.06 7640.16 11049.2 11088.59 7568.8 8967.16 3743.89 7484.03 6205.61 9831.6 5538.82 4441.99 6353.39 10563.68 12481.35 5521.01 5382.09 5531.83 5533.67 5497.06 5530.8 4787.83 5377.93 5631.29 Tiaprofenic acid 613.89 573.32 462.65 282.65 245.52 575.22 745.54 1383.92 473.87 536.54 928.28 517.34 640.81 429.59 479.44 612.68 271.79 353.79 419.33 587.18 487.51 298.44 537.74 540.53 768.36 518.95 498.56 269.15 455.67 392.58 407.98 357.14 302.96 765.81 749.83 321.22 690.34 690.46 407.92 580.6 357.02 379.06 526.71 610.41 431.14 549.69 509.19 455.77 377.27 506.66 520.86 313.16 533.07 503.38 888.37 451.92 751.53 515.9 519.29 368.89 662.72 756.01 686.47 642.38 441.25 420.09 799.08 565.74 682.17 446.76 266.05 566.56 385.93 445.71 515.59 1036.58 1091.4 1085.94 1089.5 1043.86 1048.8 1054.34 1145.54 1091.13 Clidinium bromide 1867.57 3852.61 8635.22 7136.06 3649.91 4753.21 7825.71 2789.33 3149.74 1007.27 5988.6 5879.25 8099.44 4038.36 2169.37 5234.68 3951.71 3316.37 11459.53 2692.69 621.25 3953.19 4835.43 6163.82 2236.84 3052.12 6555.84 2531.85 4589.96 4047.02 1004.15 13811.84 1673.75 8537.24 7001.75 2776.14 585.76 2896.13 5878.96 4678.54 2671.38 4238.44 15733.44 5537.61 3395.59 19799.61 3007.7 6845.42 6444.55 5913.44 2694.17 940.59 7998.03 2326.45 2803.97 3337.2 3698.66 5664.04 2553.53 4215.9 4975.96 6765.97 2646.61 6904.29 4643.68 425.33 4680.2 1983.65 5852.63 779.28 1397.23 5878.09 4378.73 7274.79 7039.96 4916.15 4314.74 5047.11 4412.55 4900.61 4529.41 5220.13 4589.45 5043.34 Triamterene 1834.08 7878.31 2016.94 1988.11 5240.25 10775.85 6245.8 1615.33 582.86 5281.06 1891.4 1564.61 2099.51 2093.6 712.11 5069.43 2985.82 900.52 708.93 718.67 13329.1 6537.46 1738.26 2904.66 1858.7 7226.6 4760.5 2487.01 1723.93 11287.21 654.74 1067 4086.54 7016.83 1131.93 1464.82 1325.75 5018.36 921.42 2111.16 3289.81 1319.91 3895.04 2694.25 1344.81 1857.41 878.75 5765.74 1612.11 2494.14 1679.67 3207.36 2501.06 4093.44 1946.61 2461.42 484.93 1541.08 1273.28 5848.56 2173.91 3324.13 1363.74 3827.36 1055.45 1721.19 804.14 2614.85 1497.04 1473.93 1168.13 5752.54 2399.45 4079.78 1809.57 2422.25 2520.4 2713.43 2779.18 2446.85 2593.86 2513.44 2663.91 1493.4 alpha-Dimorphecolic acid 553.41 25115 48841.45 86010.6 64824.99 116629.19 23327.14 18220.31 15115.07 10875.55 12706.52 16103.92 79453.39 28644.51 30890.86 83678.08 147865.3 32068.2 38286.63 24199.74 48119.35 19680.67 19287.09 15551.75 13788.6 21903.81 14942.81 15937.48 27483.41 15067.71 22404.91 50522.77 16323.96 10236.45 62767.02 7405.29 15481.96 7409.98 3130.35 24579.69 55676.43 34207.36 29338.41 46679.05 22755.1 16533.77 22485.61 21140.67 14044.43 112070.8 6009.98 10036.57 22821.06 60306.9 47114.54 49024.35 105426.8 56947.77 12923.07 33619.38 29307.26 35941.11 32520.93 72444.14 11154.49 34812.81 23274.72 34775.02 46977.89 25394.26 18637.81 18450.16 33875.95 74747.1 70887.93 19164.48 43148.8 37047.19 29424.85 19701.47 55848.48 63465.06 60798.63 67697.9 37588.69 39673.48 45560.25 65921.75 55214.52 32150.32 65230.85 38350.41 25031.76 31365.64 21043.63 34985.39 37956.89 52625.92 38619.7 40864.54 35232.6 36342.65 35177.98 35463.95 35260.04 35233.97 35615.37 35241.91 35227.46 Capsaicin 6127.69 7111.27 6081.78 5505.5 865.61 5067.52 5404.18 5998.14 4471.3 6565.72 5969.85 3416.43 4038.96 5314.63 5180.45 5222.66 4275.57 6677.84 5183.74 4391.55 5082.9 3544.83 4210.83 5845.64 5057.99 6779.44 6381.15 7319.26 4327.23 6945.77 6033.92 4928 3965.52 7897.04 5605.73 5029.74 6514.07 8106.8 8531.39 7029.49 3751.84 4050.28 6898.36 6284.61 4767.1 3975.6 5083.79 5767.84 1728.97 4558.88 4762.81 7047.02 7639.03 5830.43 4968.69 6273.64 5166.07 9051.49 6481.07 5162.86 6945.78 6426.19 4904.26 6005.54 8325.34 5283.52 7070.31 6940 5744.71 4838.2 6647.31 7026.09 3830.58 4879.08 4741.71 4802.88 5091.3 5112.94 5088.01 5022.68 5206.29 5051.65 5068.04 5107.04 Lyciumin D 2746.83 7772.8 3325.51 979.38 3852.56 8968.64 2260.37 3224.56 4098.56 4947.4 1698.2 1137.62 5353.66 4854.71 4533.63 1323.28 1245.64 1516 2007.5 10717.38 4601.18 5145.55 1399.19 3029.29 3408.75 3505.79 894.96 3570.93 4085.55 4561.68 655.05 1910.98 5273.67 7266.83 5156.36 3579.81 2347.75 4616.22 4632.87 5446.24 3033.48 5065.17 6496.77 4392.44 4609.72 5785.57 4287.63 3648.42 6094.84 12113.95 3708.39 1916.47 6300.02 9706.73 1341.03 3415.14 2668.75 2424.74 1984.67 1892.98 4743.08 3235.54 3379.72 8217.87 5248.9 3430.44 3379.2 3469.67 7827.94 1185.25 2424.8 5641.79 7213.72 5294.35 9033.73 3936.52 3861.89 4185.22 2513.45 3809.88 3588.52 3476.58 4037.59 3254.43 D-Ornithine 17537.69 16086.61 29167.74 30916.25 32157.7 21464.3 53512.27 27446.87 25069.05 18016.64 21259.88 29603.84 44602.62 27866.48 23932.27 24170.56 16476.29 21587.81 28389.89 24022.93 20515.37 9667.15 23320.21 24181.22 27086.59 12906.35 19374.51 25098.63 18628.85 8654.4 16333.22 22303.72 10408.58 32896.3 27795.54 19769.48 20112.25 13933.76 25017.62 30902.13 7215.54 15482.14 27413.5 19030.94 18833.9 56484.8 21062.58 20780.4 30836.89 22494 37114.09 20417.96 35237.73 53766.78 24851.25 15248.8 24836.76 22617.41 13153.36 21105.91 20678.91 21023.63 25360.95 38150.8 22176.33 25294.09 15865.52 23018.95 19110.21 23008.39 18875.8 15319.71 32430.49 36489.52 40716.11 26000.66 25631.8 25571.81 25633.68 25481.05 25508.56 25271.73 25479.24 25526.49 Fludrocortisone acetate 5953.73 8809.64 1977.11 826.11 609.07 1155.16 1148.68 6762.76 5572.71 7545.57 2189.84 2434.61 1844.14 1879.1 1154.15 1645.39 392.87 8388.8 4234.51 2145.78 470.93 708.68 781.4 2691.18 7289.23 2328.89 1774.3 5419.27 1901.69 482.77 2359.01 5638.53 791.35 2913.59 1071.91 7594.87 2916.92 1916.8 2796.38 4925.68 5090.31 8381.46 3122.98 3164.07 5256.05 1461.16 8211.71 6806.74 6806.74 2203.14 5117.01 2234.54 1098.75 2880.76 2063.8 2481.02 1999.87 1029.17 5814.6 2906.24 2253.26 775.83 1666.71 3163.48 4334.31 5032.19 537.78 4231.87 6360.63 4154.58 6975.93 6289.94 4292.46 859.27 1019.15 11215.62 9460.25 11956.89 11243.55 11215.93 13740.53 16880.49 12017.26 12488.87 10474.25 11656.42 12724.05 10662.76 11233.67 11883.45 15110.66 12921.15 15482.23 12690.0 12352.04 12904.71 11323.15 13084.25 19984.44 8223.02 4588.8 4127.12 4058.89 4132.14 4118.04 2590.45 4357.72 4360.14 4159.28 16,16-dimethyl PGF2 1343.22 2058.32 657.35 12735.84 9680.33 8754.7 2540.62 1569.71 2067.54 2499.25 3655.52 412.61 751.14 4309.83 2488.44 1861.57 4109.61 5098.89 1556.62 1746.83 497.86 3078.28 662.59 5145.67 516.17 1652.66 412.52 2807.07 6828.87 4104.91 2985.16 8577.05 3208.87 4024.55 6802.35 2798.08 1773.68 426.13 4636.71 9256.01 6322.02 2620.65 3584.97 2750.76 1328.22 3949.08 1456.19 1263.97 1998.24 14773.04 1254.81 1359.62 5105.43 7929.31 3427.21 2845.07 9257.05 8160.19 2830.88 5240.86 7757.14 8622.42 3203.78 2121.21 1386.41 2364.25 2592.97 3799.67 2164.01 1275.93 862.43 1681.84 2301.12 9677.34 2345.44 3725.98 3549.41 3549 3538.33 3633.92 3657.66 3935.84 3380.09 3532.06 Naltrexone hydrochloride 5664.19 2853.99 8416.74 8166.29 1466.77 5762.72 3610.45 3077.39 5429.17 573.11 2161.41 549.44 2442.82 2638.53 2512.17 590.81 10056.64 2395.05 4252.52 10321.01 10851.2 2230.39 517.47 2423.85 569.44 6856.63 2449.89 2482.98 5596.79 905.55 13558.64 2891.12 6769.36 1231.92 539.07 1603.27 6984.77 4856.72 645.84 2630.52 1548.85 2430.69 3339.03 1223.87 5107.76 2052.56 6609.68 2658.55 1784.93 16122.13 5005.4 4341.38 2032.13 3004.48 1291.82 3861.7 1667.92 797.04 3165.84 6201.91 2319.98 2018.51 8530.66 2942.47 1386.66 990.65 19743.04 2109.01 502.3 4464.42 5922.95 1386.78 2199.28 2819.07 798.05 2578.33 2835.25 2804.41 2714.16 2796.42 2653.52 2880.11 2807.98 2578.12 Sitagliptin 2606.06 1061.74 1587.93 1882.63 2669.88 975.96 747.41 2227.77 3199.52 3406.3 3450.92 3067.66 2120.53 1837.23 2166.41 2599.63 1225.48 2594.94 2542.3 1879.11 2482.29 1623.1 532.49 705.96 1924.04 4322.9 2673.19 1055.96 728.17 4096.99 1299.28 2810.59 2768.66 3318.21 1009.07 4106.59 1301.84 2444.21 2338.22 710.56 2015.45 2940.74 1410.93 464.34 1138.68 695.19 3122.54 1849.99 6992.89 4634.36 1493.15 1496.08 1697.18 1881.84 1425.15 2448.3 874.33 2100.8 1770.96 3810.2 2457.2 1822.3 2018.11 1186.89 2687.79 2244.88 1844.57 1209.2 2345.01 1387.74 1470.54 3392.45 2262.94 1756.84 2605.03 2723.56 2211.12 2962.34 2657.48 2827.89 2744.1 2659.05 2438.76 2780.52 Acarbose 2419.18 5163.99 1358.98 831.15 932.93 1985.88 858.04 3928.81 11732.64 5682.79 1749.22 2185.01 1231.09 1737.9 6101.07 2066.94 1479.73 3828.04 2450.3 11020.24 3274.45 3695.73 577.26 1952.03 1651.23 5314.98 307.65 763.54 1416.39 982.8 4308.04 3219.52 2150.06 1467.03 353.84 1322.2 4933.3 1912.46 417.25 1743.17 2082.68 3338.7 594.3 524.19 3013.83 554.26 1418.46 2123.3 2180.79 2393.62 2653.9 837.05 918.13 2557.64 903.65 4124.57 1511.94 1935.41 2605.97 2392.9 2476.84 783.61 1864.46 2901.89 1369.38 864.48 5318.64 972.68 6951.89 2738.58 2588.54 1067.76 1887.67 1400.81 2558.26 3421.18 1590.76 4655.26 5451.17 3766.38 4573.0 4502.27 4913.72 3033.16 4584.65 800.58 3208.57 629.63 2201.3 3809.45 1154.34 7326.75 696.89 3006.06 5618.73 3979.55 548.87 2741.81 2184.88 3737.25 3033.27 2211.02 3190.33 3572.67 3241.69 2889.5 2-Thiouracil 40096.05 44067.54 38496.62 33932.9 42269.37 28833.64 45714.77 56004.69 50434.52 38981.09 29585.52 46318.79 49135.39 39745.7 44255.15 39641.29 28941.16 38506.77 43785.37 34239.13 44118.35 32642.06 47972.77 41746.9 46704.99 39602.23 40678.69 40688.31 49440.27 31473.84 35603.41 39818.6 38569.95 43645.83 35944.78 42879.14 39452.87 20034.94 41421.82 27516.96 28149.63 36240.22 40002.08 35786.02 40628.72 30978.87 40477.6 42707.64 27390.44 33269.54 30751.15 35051.65 34322.25 28727.82 36893.21 39917.43 27351.53 34319.27 40116.68 22405.88 33130.06 32602.8 31309.72 27564.67 38283.43 38398.22 35335.83 45244.12 40321.6 41438.37 35689.99 35297.87 22337.79 28528.93 34996.2 35798.87 36072.04 35541.52 36064.42 35520.89 36326.38 35384.37 35548.94 36100.19 Terfenadine 4329.29 13164.74 4508.34 5266.84 5911.87 889.57 3801.36 5748.26 2197.41 4807.18 6014.76 3293.81 894.87 1038.21 990.4 1472.78 3894.41 1953.17 1814.02 2715.96 4512.17 643.78 2741.8 6380.38 3529.12 2301.29 3107.83 5858.04 3032.31 4947.49 3178.69 1543.45 1831.23 4917.01 2016.49 2677.01 2541.59 3872.52 3503.3 912.44 2612.7 4166.78 4048.59 5009.54 3037.48 4647.8 3118.79 3382.45 3709.44 1561.25 1646.43 4128.11 731.44 935.47 2055.99 4240.8 2272.13 4278.29 1142.81 1815.24 2557.07 4907.6 1162.49 1227.31 1488.4 3376.25 2395.94 4677.13 3359.07 3145.96 2671.67 5663.43 1844.12 22996.1 1481.76 2217.37 2544.14 2558.27 1828.07 2385.8 2239.83 2530.28 2206.58 2126.12 Anaxagoreine 12071.87 7348.78 1238.19 8374.82 2483.39 5577.93 10390.01 7590.34 15950.17 8081.25 9784.53 10274.9 2237.25 6101.11 4360.94 5711.96 1272.85 22694.09 5048.34 3330.42 13429.48 2031.41 5071.67 4559.73 5335.48 5757.74 2840.32 716.48 14642.15 5700.6 24647.98 17011.71 8617.19 3879.48 8279.49 12147.59 10113.23 4935.01 4764.4 4214.68 26848.17 9563.18 5173.51 7133.74 21432.35 7278.84 9334.74 7414.18 8836.7 11457.74 10139.69 4896.77 5296.88 5365.14 12577.35 5650.8 2252.19 5555.78 3916.01 3718.66 6622.99 5592.17 5665.18 6024.11 9872.69 14980.92 16666.25 5484.49 8863.22 12096.86 6534.16 4690.62 9192.46 20790.65 7532.78 7845.77 9347.33 9545.01 8535.09 9510.39 8908.85 9258.99 8831 8767.73 Losartan 609.77 25481.43 58598.23 574.62 25620.19 36851.82 28707.36 23422.87 20027.06 99891.61 68088.08 12891.41 1216.79 28336.82 41661.06 52830.38 166210.65 20253.43 17626.55 36181.93 51194.79 54241.81 34510.53 4349.71 16062.32 44193.55 39754.37 24516.53 16708.49 11794.62 29254.95 13374.38 113215.25 32742.61 18925.61 25374.8 17774.72 62838.39 21485.02 15081.24 33064.86 52843.58 22131.78 51839.41 33823.97 37313.44 40722.67 21786.77 29815.09 58725.56 41220.31 45205.25 42662.77 12268.83 16096.48 46050.34 104503.8 2614.36 70316.77 12476.64 26026.57 6956.89 42781.44 5248.89 21979.38 37688.87 32415.44 43943.16 51052.84 8300.4 23502.09 54519.77 13801.06 31454.74 9627.59 3090.9 5647.85 3505.44 3087.74 3238.4 3276.99 3346.21 3199.28 3239.14 3194.14 2921.16 3009.28 1945.26 3262.23 3679.46 2437.6 3284.34 2495.16 3218.81 3035.52 2896.53 3771.25 3121.0 2871.71 4073.81 44237.25 41900.55 42200.79 42635.12 42181.96 42725.02 41900.68 42713.59 42592.25 Dibutyl sebacate 6173.27 3139.36 15296.4 2943.69 108950.87 158229.25 109259.11 4378.5 13723.14 3200.58 2097.22 4940.48 19187.57 7014.3 4436.59 3203.36 3667.31 4561.2 4855.46 8468.23 11541.51 5941.63 8264.83 3682.96 2968.83 6403.01 1761.49 9285.23 11540.14 1154.72 1725.16 3430.67 4924.95 6920.3 2815.62 7856.38 2709.16 7101.94 4934.02 5881.32 13500.97 8762.81 3720.25 7962.35 3120.03 26257.21 6199.58 6579.59 2546.65 5137.8 7188.94 3712.09 4200.8 4844.76 7232.82 2893.98 15390.01 7956.7 6909.37 2010.59 1981.21 6508.61 3932 15519.25 1659.74 8601.74 10270.62 7115.27 4995.3 4590.93 6728.27 1870.15 4113.83 2832.47 8958.98 1870.53 3206.21 4554.31 3617.8 1994.63 7326.99 7668.07 4852.16 4441.32 4665.6 6150.96 5249.21 6112.1 4811.47 4549.85 3067.58 5117.45 1746.57 3091.98 1480.16 6402.72 2946.71 2863.56 3729.99 2433.5 14148.91 14838.56 15038.4 14996.63 14832.95 15104.7 14830.09 14861.32 14920.62 Coumarin 17059.04 1506042.48 186768.04 257990.05 330754.15 355096.88 339024 59216.3 24742.33 597503.17 71416.78 162551 514818.65 184478.79 140675.4 139995.26 387712.46 93494.17 236952.31 21792.36 26904.95 766.3 448243.74 282062.5 99131.53 88168.58 207931.08 37337.96 230083.22 6343.21 11291.73 115902.9 182218.92 590502.79 422452.01 124730.79 69713.4 84503.73 130288.44 252900.06 16367.67 52094.05 272288.7 123865.05 30949.27 132247.15 51547.28 347508.71 134946.38 85822.19 48829.27 1848514.22 333590.62 297708.87 122825.48 603566.46 171299.17 204570.52 86664.59 4974.51 351529.76 1195549.54 131646.27 257772.19 154422.67 243328.59 102612.08 179227.42 72122.28 79194.25 30604.41 1041766.12 35304.76 582119.13 136869.3 3424.83 5419.96 3166.57 3197.99 3362.54 3245.82 3284.42 3169.9 4946.04 4148.14 3390.52 3177.54 3326.91 3361.21 3581.14 3498.24 3357.81 3235.43 5144.25 3532.31 3224.18 3478.4 3214.46 3367.33 3007.72 287706.38 286296.25 285537.46 285595.14 286302.34 285488.99 286302.22 284338.54 286227.39 Yangonin 4407.61 11665.64 8870.55 11429.53 6935.94 12763.93 10728.64 2886.45 2372.75 12303.75 8327.9 4812.94 11107.26 8400.88 8176.51 7899.62 6096.52 3895.97 9507.25 5223.03 2314.33 17389.72 8651.99 6578.17 5926.1 12410.17 5621.68 7661.03 6825.92 6712.69 1518.69 8918.02 4187.97 10976.1 9616.07 2621.53 2142.56 13588.28 11368.32 8095.91 1450.1 7389.99 12602.02 7771.59 3746.63 7905 3914.8 4512.37 7197.4 7465.68 7209.26 11250.79 6281.83 7836.64 2848.12 10219.34 9001.55 8128.68 3075.97 20313.59 6218.31 6343.15 8487.76 8250.76 5068.79 8044.02 6728.8 2715.74 6406.08 6128.65 1420.06 13059.3 3165.35 11801.45 6910.94 7566.47 7506.84 7527.11 7679.62 7498.69 7774.71 7780.07 8173.6 5398.12 Nifedipine 10834.7 26241.88 20512.68 32406.72 19987.94 52403.91 7328.06 11500.58 18181.79 17336.36 18594 6779.93 13270.65 6183.69 30135.64 24160.43 10691.97 23792.91 7357.41 11148.48 27368.18 12035.23 7855.55 13237.77 16836.04 24025.19 12935.52 6639.37 11723.34 1664.39 8477.16 4884.14 18153.52 15383.42 21443.68 6047.15 23907.94 26434.62 14338.87 15228.31 20557.38 21330 24741.82 17361.78 20793.09 10526.81 6240.77 24314.53 1774.06 9296.78 6552.3 22289.7 25367.22 17012.86 16753.49 26000.67 19550.3 20286.62 18804.88 6959.91 14684.81 10255.69 18765.47 19366.13 18859.76 22648.11 34691.62 14831.23 16669.42 4194.53 25519.31 15495.71 17463.8 18975.08 23843.13 11549.13 12818.33 12642.38 12552.53 11875 7466.32 12636.23 10779 13573.17 Podofilox 4538.17 1788.18 1861.03 3596.35 5469.33 1623.59 864.98 718.42 822.27 1552.56 908.19 447.35 1717.65 1346.09 1072.32 589.06 3286.82 1536 1903.4 1181.24 2313.91 1816.41 2967.22 1990.54 5395.39 2088.8 5356.37 4859.23 2830.37 7450.26 7984.39 1499.56 2598.72 4024.11 4472.22 2147.53 4460.11 5217.2 1802.72 2986.46 5079.83 4499.33 2946.69 5249.9 4311.43 964.13 6363.68 1057.77 3000.93 1029.86 4835.74 6219.02 2549.11 5616.51 1732.83 2283.53 3094.79 4237.85 3368.8 11257.99 5046.48 5113.95 2870.69 3372.73 5430.69 2216.54 3258.04 5768.73 4365.77 4754.04 4883.03 3634.23 6121.62 5777.44 3795.93 4742.67 4742.65 4792.71 3470.49 4842.02 4446.91 4388.81 4451.09 4117.76 5,6-DHET 6255.34 34381.68 331860.59 104951.02 31484.41 33330.65 44017.57 8413.62 2076.2 25725.38 1069.45 28814.74 51380.04 36260.45 12745.85 58932.76 101181.04 670.02 18257.35 16514.78 16804.2 54130.43 79983.23 65082.29 28446.32 16206.76 692.91 7144.61 12825.96 15230.85 12167.74 26563.28 20174.49 11205.49 12989.7 2117.05 8485.82 19411.52 51364.11 10589.78 12909.41 9231.75 19720.25 52620.1 21068.99 31298.54 1191.22 21741.29 12540.61 13683.24 10921.39 26455.54 22646.03 19658.11 28613.36 18526.62 273646.81 31513.45 2716.79 15994.28 143174.73 67164.45 14772.39 8524.21 5210.2 27624.61 4881.23 32522.65 22156.65 21491.44 643.52 7348.79 17194.89 4100.33 33892.55 36281.2 36176.85 36444.18 36276.13 36086.01 36197.8 36393.53 36671.19 36392.69 Altretamine 88726.46 62043.02 62806.7 65123.68 85442.07 60556.68 89880.86 54164.47 44682.09 62105.52 37470.46 42947.44 53774.94 69193.4 50915.75 64695.82 37946.99 49805.52 63507.79 75504.85 43445.75 47015.7 36089.19 59562.21 62104.71 46947.82 57959.58 50471.83 54506.24 163662.34 55858.42 78542.85 52168.44 64617.29 70621.13 50578.91 64149.74 63735.88 60969.94 49541.39 124867.71 80815.62 66901.05 74316.65 69113.43 68974.11 87392.62 60127.27 104583.96 74982.9 69421.81 82010.76 68062.99 57735.92 72043.88 71707.2 48299.22 57912.76 54027.14 76739.9 51899.61 56084.53 51287.88 72104.52 51933.46 60116.94 45730.65 54908.63 53468.98 76197.07 55866.68 61795.91 41802.66 62741.04 57186.64 19732.06 15106.85 25756.29 13280.48 18204.05 24923.89 18406.68 13138.82 17108.01 13767.79 15219.95 13587.16 9217.03 21970.56 17089.24 24976.13 40091.54 44653.65 28932.63 21360.08 33277.63 23070.63 36103.69 13355.84 28978.59 61240.74 61045.96 61218.31 61241.42 61047.15 61346.93 61109.31 61235.83 60818.22 Thalidomide 1570.63 2998.9 1214.35 1251 5297.33 2342.41 9439.04 1152.87 1776.27 2156.54 511.66 7243.05 3049.31 1985.89 2121.95 9829.94 444.71 2115.15 3062.06 1015.35 3323.92 1075.08 2170.78 2319.83 1705.07 1122.52 3365.08 1658.25 1518.8 3142.21 922.54 2575.04 1502 621.85 642.73 1714.96 1468.45 2162.68 3066.96 482.39 999.99 2406.95 2428.51 1795.91 1414.31 11282.83 1841.1 2964.13 1301.81 855.96 624.84 3079.3 4552.98 2240.19 1544.39 2514.5 793.6 1454.27 3369.62 2899.34 463.66 8616.63 1279.17 2465.18 1523.44 1907 1069.57 442.65 2613.57 1920.31 794.53 3548.4 3262.41 508.32 5002.66 2498.69 2498.04 2535.5 2537.07 2498.02 2519.57 2513 2548.74 2534.38 10-deoxyformamycin 6260.19 20394.44 3951.84 2100.21 5748.47 5034.24 1296.42 3604.01 23379.74 21837.69 1651.32 14129.01 3163.37 18349.08 1045.97 6737.82 14771.87 6602.45 6540.54 14129.43 11630.54 11811.25 13678.24 3235.67 7906.5 20895.55 7674.14 3936.52 14136.18 2826.07 6977.46 2239.22 17941.73 1054.48 9835.28 6542.44 8301.15 6229.31 15889.1 14596.46 981.93 6318.07 9405.93 4326.62 8347.26 7884.75 1014.87 13869.48 4540.82 2157.95 5359.28 4533.85 4104.38 3968.49 3440.95 9076.85 6588.13 6249.21 6425.37 1771.01 6748.82 5131.02 2973.57 15251.46 11315.77 3176.57 12542.24 20115.86 4004.81 14609.82 9371.83 22136.17 3864.46 5370.44 3590.28 3918.81 3539.41 3989.27 3417.19 3452.51 3403.52 4671.35 3024.11 4030.17 Prolyl-Histidine 19014.7 8575.88 5389.58 22255.93 59989.03 16545.43 35605.29 41847.36 34607.41 23682.48 16733.36 35387.37 2413.13 12418.12 9304.84 35223.95 17384.29 32131.11 31437.21 20247.65 19319.01 13763.24 2657.29 27425.74 37208.4 24464.21 30270.14 11525.74 24806.99 14162.79 19291.43 43127.55 7852.78 19316.05 24419.34 32386.88 39812.53 5681.65 16716.29 51333.91 2516.62 19515.56 43711.92 8169.3 21705.59 23145.24 28745.06 17517.17 3793.26 20673.79 15492.87 21800.55 19587.18 45868.06 30698.4 8362.4 5191.01 23843.44 28605.9 19961.64 15775.99 2792.6 40017.01 34772.33 29427.75 37889.29 15537.43 15160.51 17452.4 41594.46 23826.62 21926.2 20679.99 32266.06 11630.1 23006.25 22983.58 23955.27 23020.93 23622 23535.89 19726.53 23520.3 23013.97 Mifepristone 5069.24 1697.49 2081.86 740.87 1665.92 4383.77 34563.66 22103.39 17199.75 8982.58 2898.65 1758.39 676.31 4218.43 5548.6 3280.85 1350.96 33146.56 35845.57 8544.63 2401.49 2088.87 3093.41 2357.35 20299.68 16735.95 2991.65 2622.19 5609.36 4469.06 4640.74 50799.45 17077.33 2477.43 1791.83 23378.29 8352.62 2426.94 377.99 946.29 6156.32 26943.1 4668.87 2015.47 35914.01 1955.88 8150.07 7442.82 11068.48 10553.47 4358.34 9757.1 4683.22 1605.59 9852.25 10647.2 1389.53 2365.58 28822.95 2107.31 2319.44 1957.59 6875.58 7714.41 3993.74 7235.69 6165.89 2198.3 3774.63 22111.78 5994.65 6757.12 7749.17 3433.13 2000.63 9731.93 10132.38 9696.34 10102.69 9718.97 10107.39 9805.66 9751.18 8703.68 2',3,4,4',6'-Pentahydroxychalcone 19498.39 9795.84 1121.72 1592.74 7483.97 3498.24 3799.37 19543.48 19978.74 16371.09 5352.79 8317.75 6018.52 6335.07 11176.79 7263.96 5274.75 12639.72 12466.75 10659.17 12938.59 2899.59 4646.21 4749.35 19702.79 15822.97 9982.64 14509.61 20254.38 10566.79 16862.2 10767 8398.08 4884.81 3841.62 19643.43 13637.58 5877.41 5485.64 6931.08 12763.01 18663.71 4099.58 4310.2 15466.52 5516.35 15652.22 10526.74 15435.47 11684.65 10121.66 6441.78 2675.52 5098.35 9776.62 7958.98 2712.37 3139.15 11201.94 4287.25 6171.15 4018.23 5627.95 4695.38 6168.17 13493.82 7307.12 11085.56 11910.89 13597.68 16128.12 11956.43 7662.1 4876.49 4851.98 2225.93 3126.82 2442.78 2239.97 3551.39 2915.11 3573.64 1787.87 2824.94 3310.1 4206.25 2774.89 3750.74 3137.83 3880.99 781.78 1823.01 2766.0 2848.37 4138.77 2380.98 2151.11 3313.24 2370.21 3068.71 10866.29 10884.89 10968.69 10836.41 10934.52 10837.12 10836 11111.35 10919.13 Hydroxycotinine 671.24 1191.89 1522.05 972.33 2327.42 1202.72 1259.28 2844.42 1437.43 650.2 1224.04 969.8 2053.75 1135.35 868.1 1042.35 1464.41 1818.26 1319.53 2144.63 745.74 630.46 893.88 1187.72 1675.19 2085.23 1225.11 1111.92 1575.75 1122.36 914.15 1417.18 747.39 750.45 1179 1543.08 1727.51 1512.91 917.15 1358.39 902.64 1882.89 1301.39 873.97 1157.25 2824.44 1890.06 1141.1 1242.78 1393.91 1059.47 730.42 1022.22 1566.91 1359.19 600.39 1747.28 1289.56 952.74 678.22 1054.53 864.1 1357.13 1225.8 1276.27 2421.06 1257.47 1231.48 800.04 1969.3 1093.84 1359.07 1160.46 3749.62 1170.88 2047.65 2110.68 2201.81 2430.67 2100.81 2073.65 1757.19 2021.35 2158.2 Kasugamycin hydrochloride 8487.42 1287.77 443.52 1846.81 14469.98 9619.55 4776.8 9665.04 15185.64 6269.83 4587.11 7332.74 4579.68 2494.8 1531.15 847.63 3328.52 16575.72 2850.9 6027.17 14088.89 8898.45 2649.59 1331.91 5635.41 3208.02 1425.02 3416.34 3257.73 6363.7 16009.25 13404.84 4187.53 3995.55 2171.17 10769 15352.46 6498.12 3743.11 2245.86 20838.95 1945.76 4274.12 3787.14 11343.93 12349.05 9704.04 3874.23 790.56 6906.65 2283.83 8459.52 4049.64 4744.22 7931.46 5622.78 979 1481.3 6115.2 4029.29 633.07 2779.3 6236.58 3807.47 3271.5 13416.24 18807.89 1751.81 2080.33 4458.04 9380.04 7612 3977.12 897.47 3156 6415.63 6751.74 6822.98 6659.69 6460.22 6727.09 4537.39 6421.48 6743.69 Dihydrocapsaicin 10277.48 9453.54 8688.48 14152.19 7208.76 11917.15 9988.07 9879.69 8882.84 8732.67 7694.66 9441.54 8799.93 7589.06 8845.92 10990.99 8048.31 8818.82 10530.8 14886.02 9050.54 7645.56 6246.44 9389.59 863.67 10612.5 8332.43 7556.09 8855.67 11989.32 6218.55 10002.26 12036.78 10346.14 9790.14 9462.57 10753.58 10130.57 8479.9 9661.75 11537.16 9688.91 8321.98 9933.49 8876.42 7954.55 8710.77 9564.57 10079.77 9359.3 8613.04 10712.98 7736.76 7265.34 8662.53 9455.86 11370.44 7327.11 7781.47 11056.04 8286.97 8509.36 8872.26 9761.81 5049.85 7089.73 7812.67 6776.35 7952.11 8295.5 7202.46 9866.21 6300.82 12539.37 8194.15 12356.69 12139.6 12149.56 12342.77 12313.07 11616.37 12143.67 12193.78 12145.97 Fenbendazole 990.98 513.44 2229.1 8411.1 44936.4 12748.79 15064.79 353.48 290.67 943.9 864.99 858.46 24214.02 1723.13 668.88 4235.65 3248.52 865.73 488.74 400.03 1784.06 1261.97 611.19 540.14 1547.29 1943.27 3107.64 3494.73 392.35 4635.24 576.28 3822.67 429.1 10508.2 3790.86 645.27 638.69 1334.95 1630.18 1052.53 5668.33 1735 304.56 705.15 781.54 22213.99 415.25 299.11 492.37 8312.47 6516.74 999.85 1724.21 11243.46 8001.61 669.63 2337.14 371.96 822.28 2792.48 284.47 2422.87 438.13 539.52 2137.35 5484.96 191.55 1205.96 939.2 579.3 1266.63 932.3 311.63 4743.16 8559.13 4630.49 4384.72 4782.39 4636.87 4410.65 4439.15 5009.39 4402.21 4551.32 Isophorone 4975.35 4968.75 2708.42 3516.94 5039.74 4887.25 5242.72 5176.94 5003.62 4294.24 5667.24 5151.67 6220.04 5710.22 4529.31 4669.01 3620.48 5675.13 6095.38 1048.12 3914.38 3536.7 5053.5 3296.5 3848.21 10415.27 3606.43 3950.65 5690.89 792.37 4525.7 9271.8 3409.14 4058.4 10867.21 5146.43 3779.53 3300.24 3436.47 3473.88 3771.37 6208.57 3839.61 3611.94 10990.57 5901.8 4685.68 4429.3 4786.85 7875.17 5280.58 5308.34 4283.57 4863.07 3993.86 4945.71 2880.94 2556.82 2590.04 1422.6 3209.68 3139.71 3873.1 3387.12 2875.67 4813.57 1600.91 3792.31 3791.98 2703.36 4030.23 4214.01 3862.74 4333.32 7482.59 4965.28 4957.53 4870.42 4870.4 5103.02 4944 4987.09 5458.7 4851.3 Dehydroandrographolide 1564.83 3088.25 741.18 12576.18 76314.61 97681.56 49810.92 2329.36 43.91 233.56 94.52 1336.37 7371.57 1218 214.48 5617.07 1177.75 277.06 158.24 73.8 998.13 221.34 1537.65 228.41 143.72 1149.74 493.92 509.61 1294.11 690.51 3376.99 1794.96 195.6 635.88 190.8 347 288.33 2002.89 366.97 295.15 40496.17 3547.93 46.87 87.83 70.97 5079.35 237.94 97.18 259.72 306.95 943.34 124.56 510.91 1284.15 1788.63 2137.94 89.71 92.69 915.37 5581.93 67.61 2122.23 1039.8 211.27 103.6 1439.54 1736.29 272.42 695.41 218.81 56.01 371.89 1336.18 177 2585.46 11340.54 11418.89 11537.85 11150.9 11427.74 11427.88 11250.81 11246.91 10703.72 Dolasetron 6574.23 5999.28 4181.19 3268.86 7152.43 11619.64 4560.95 11060.25 7194.13 2665.65 1854.38 3073.31 1293.03 2927.29 6646.92 6501.31 1103.24 5351.47 2997.03 8843.18 7424.56 15343.02 4546.03 4458.87 7678.08 5872.35 5872.46 5077.67 4650.83 2818.86 6282.49 6793.16 2314.32 3119.97 1964.54 4519.14 18512.59 5554.56 2480.56 2241.15 3955.6 12783.51 4679.28 1896.24 5422.74 4841.48 8513.81 4780.47 1402.14 5865.55 5648.56 2957.92 1649.45 3711.25 5374.53 10556.44 3504.11 2054.7 6723.78 1650.32 2292.29 2741.04 8867.79 2372.13 1891.13 6093.8 8502.21 3325.13 1148.3 7111.14 9740.16 6507.42 11271.81 2490.33 1473.3 5103.79 5495.28 5347.7 5443.95 5734.23 5733.26 5752.82 5793.55 5718.37 Ticlopidine 46602.78 17298.37 2390.48 2527.02 2140 12325 419.49 52722.01 55028.96 17639.87 10081.6 23748.14 6346.81 12138 34023.93 22485.98 12646.74 39966.3 17141.48 59847.99 44731.28 6162.8 7703.92 2635.49 52678.57 29432.84 11604.04 18952.46 54280.01 46201.13 60623.15 27022.14 18722.58 6492.69 8395.94 50550.97 40636.02 1423.68 531.55 21322.38 50007.4 53161.77 559.08 2294.91 43551.55 10006.26 61608.37 1650.95 8327.19 1188.42 25895.3 14943.73 7103.08 10488.65 31333.81 13107.38 3237.2 3671.72 27807.5 4949.78 7250.79 4792.46 15812.59 4898.92 19328.67 36439.12 24727.85 2399.3 26233.66 39607.66 49137.83 18783.81 18441.58 9595.98 11283.97 24270.55 24240.49 24463.91 24240.7 24442.86 24417.62 23933.09 25248.65 24460.74 Chlorpromazine 1524.62 2086.87 2683.46 3400.4 1656.53 3356.19 3895.76 2566.6 2320.74 1865.94 4297.72 3567.48 4378.33 2771.54 1957.87 4247.5 3398.26 586.3 4265.94 1514.78 2380.89 1956.31 2843.15 2859.86 1169.82 737.6 2557.71 3101.48 2645.61 3146.64 2073.9 4181.96 1300.44 3254.15 3495.88 1884.14 1382.45 2795.27 2863.75 2658.98 2482.45 2103.26 3429.14 3669.62 2246.01 3592.37 2395.96 4316.04 1764.01 3716.84 1578.59 1810.11 2812.2 4591.18 2044.39 1618.12 2179.21 2540.98 2519.09 2288.61 2629.68 3004.7 1584.86 3453.77 2419.74 2128.05 3325.99 3288.88 3800.51 1847.22 1570.25 2603.36 2831.61 3439.12 3730.12 3011.41 3012.52 3076.86 3077.63 3073.64 3078.13 3015.88 2979.8 3063.4 Sulfisoxazole 334.19 582.89 2755.23 1677.8 601.65 4664.9 435.29 688.79 667.77 257.75 630.52 647.38 644.14 648.5 426.47 219.75 851.52 223.99 374.62 273.39 152.94 5150.7 540.86 443.31 884.64 505.36 836 1081.91 277.6 617.04 255.75 538.35 389.17 1125.54 434.4 188.86 937.94 6234.52 144.16 1004.49 424.04 321.59 1115.33 1081.12 965.97 936.04 409.01 2770.65 205.39 237.35 993.65 1967.36 1447.72 1043.71 861.02 477.83 3887.51 5006.83 311.27 3859.43 392.21 736.52 627.46 553.24 621.39 673.8 502.13 199.46 1143.49 206.93 597.5 424.62 1175.63 939.39 1033.36 2512.94 2451.2 2381.35 1519.67 2516.99 2515.85 2442.61 2513.53 2512.66 Carnitine C12:0 122589.9 122946.93 77663.66 115271.7 56545.12 80718.31 71895.28 151708.68 125239.43 157220.81 129474.59 91885.44 82660.2 157880.52 142284.01 91920.77 141917.58 4383.62 104911.99 123549.21 108636.37 128952.18 118110.62 206480.18 83464.32 131991.71 138190.65 175986.77 107471.06 156351.34 77774.26 95237.41 100595.36 122459.67 145888.54 126799.94 135405.41 142404.71 155158.24 157140.12 109326.24 103739.43 140396.54 141285.89 137694.09 111942.17 98673.09 120770.73 106720.7 118581.88 125740.63 156153.18 132668.06 97480.87 100865.27 120007.34 110483.12 150022.17 149427.54 152091.03 131703.82 159421.36 109663.66 127381.41 144511.48 110218.33 125202.3 175561.63 136056.66 121076.75 158312.2 155826.77 131189.94 103654.57 120931.16 1384.95 1991.64 2911.73 1697.95 1947.29 2194.49 2757.01 2188.53 3424.28 1687.52 2032.51 2035.58 1603.41 2454.37 2336.51 1149.05 1861.48 2158.54 1971.78 1827.02 1453.2 1616.29 1996.53 3714.53 3229.08 100809.77 100767.65 101962.01 55169.67 100700.4 107750.66 101561.57 106599.06 117300.48 Rufinamide 13039.22 8198.93 6477.7 3041.2 24205.68 1606.62 13599.38 15880.17 15643.37 9564.55 9940.31 11889.02 6600.29 9719.71 17775.56 15904.42 10385.17 8605.58 14359.83 17008.5 13806.74 6384.93 9575.84 10922.13 12896.03 15686.28 12110.07 12779.39 18653.01 13252.39 14958.71 18653.68 8534.98 11113.49 11165.66 14423.54 13219.73 8795.79 10128.09 9617.94 14398.6 16100.96 12454.4 8727.71 13641.94 5770.76 13658.29 10729.84 11869 16569.06 11539.18 13201.07 5896.11 13575.7 11040.07 13458.01 7919.51 7359.45 13014.25 10268.05 7141.11 5000.87 11244.18 10646.7 7639.59 12698.85 15699.55 9707.41 10181.6 12746.42 12891.78 11122.06 13114.26 11269.6 11978.89 10852.11 10767.17 11284.45 10641.03 10471.66 10566.1 8809.17 10749.46 10747.66 Nodinitib-1 21165.7 19803 7818.07 14258.97 18618.83 18250.49 18658.57 16947.76 17613.79 16473.85 16651.39 16397.61 16635.83 21501.74 17268.38 16071.18 13931.94 19479.29 18250.1 10654.03 16039.81 8970.8 13903.66 14689.79 18341.34 19133.14 16182.32 18325.34 21830.78 7602.43 17831.57 22812.66 13856.98 15460.33 16494.28 20011.31 17377.53 17140.66 18392.54 16662.47 15453.27 22763.98 16536.22 15607.27 20659.78 20429.78 15448.85 13422.66 17414.34 20106.29 23027.86 19193.63 14219.19 19221.18 18207.62 18060.6 8827.93 11133.18 17038.75 10681.94 13115.84 12574.96 18331.81 14418.88 9673.52 18856.45 13682.09 13199.37 14673.79 15337.65 14086.83 19973.79 14183.61 14538.37 15495.41 16701.72 17187.98 16982.48 16732.49 16812.13 16996.32 17004.06 16683.3 16381.82 Celiprolol hydrochloride 2491.68 5801.93 5551.51 1719.07 4446.78 18194.85 6501.63 781.2 5935.64 4388.14 418.85 2888.83 2368.12 2059.22 4727.85 2127.81 941.64 2172.87 2166.73 10930.8 1084.54 3122.88 1624.25 4273.67 3824.63 2696.82 3499.43 3393.73 3515.11 3131.69 4162.99 480.27 5035.88 4810.28 2167.06 996.41 3845.83 8384.39 1469.72 3728.54 5229.32 3209.56 4066.83 870.23 3328.48 3437.95 4238.03 2968.23 644.94 1380.07 3456.38 3477.79 3872.05 6886.23 5669.96 10172.19 9162.38 4938.71 2560.9 14955.18 3413.27 1916.13 14715.18 4653.31 616.4 4317.11 5728.91 2550.78 2996.42 2336.33 4647.27 5025.16 1268.39 8890.61 11647.79 5668.6 5367.82 6278.79 3783.74 5225.72 5177.82 5857.94 5825.26 5098.39 Tobramycin 5363.78 7786.49 3094.84 2240.06 12057.1 7047.56 4191.16 2413.63 7040.15 2118.22 736.58 4628.19 2713.91 4398.66 7111.77 2983.89 1787.09 4653.55 3241.18 6646.79 9193.94 4650.51 1858.36 1098.12 8842.15 2513.09 2068.42 1034.72 1306.58 2116.93 5760.15 4434.7 3345.23 3281.43 2315.36 6523.71 8463.62 1340.6 899.61 3302.5 7004.94 11297.51 622.74 934.61 8089.08 3319.94 2985.18 2873.15 1566.84 1845.17 5838.4 5263.29 1822.5 3180.91 5628 4715.58 1076.35 1930.88 7684.68 3996.78 2605.16 2870.9 5366.05 2608.98 825.3 8117.85 12314.25 619.09 815.96 5209.99 8216.28 4527.45 4229.27 2843.69 3170.56 3226.88 2202.69 3457.64 3442.69 3205.84 3564.28 3630.58 3155.76 3039.63 20alpha-Hydroxycholesterol 638.82 444.96 1051.58 1039.18 933.66 3817.61 1162.31 983.94 1000.85 633.53 478.95 655.62 2331.15 1193.72 782.07 430.42 883.79 999.12 709.39 778.51 804.1 480.12 1180.11 609.87 605.8 704.71 1118.95 782.94 370.37 902.85 701.04 446.22 420.85 1778.72 1804.29 565.37 814.44 3718.63 958.71 686.97 1984.07 394.88 1893.2 1394.81 1263.05 1573.94 858.87 1700.21 895.9 1041.95 810.87 804.96 791.32 1519.31 705.41 905.65 664.32 1031.15 622.21 963.42 771.59 376.88 1040.94 804.91 721.59 781.54 1679 612.51 1081.24 853.65 777.83 1244.31 995.63 1653.74 651.8 836.21 1435.67 1270.6 1277.82 1188.05 1242.29 1225.35 1150.55 1268.27 Arginine 3366.05 6694.25 3396.3 2381.24 4718.96 6276.91 1471.33 7738.14 7597.26 3626.43 4623.3 5610.76 5138.09 4594.48 4952.87 5991.75 3289.53 9259.8 6000.53 14730.49 6342.55 3199.38 3145.51 2821.29 3704.8 4487.89 4688.5 3886.1 10099.25 2922.04 11491.63 12187.11 5672.75 3528.74 3188.43 6398.79 7294.49 5058.75 3392.01 3722.74 14269.66 9885.91 5828.8 2701.61 9942.75 7424.75 6603.22 3400.26 3019.2 7350.98 4108.58 6106.59 4302.04 5426.45 4339.52 3822.54 1673.85 2867.3 4988.03 2443.34 2488.61 2117.59 5370.96 4771.92 4737.38 6108.2 9704.91 4188.01 4088.53 7439.12 8618.2 5472.37 4600.04 4933.21 5033.35 6615.3 6687.09 6607.03 6663.95 6598.98 6609.4 6609.48 6665.83 6664.34 Vildagliptin 5316.07 6843.7 1423.3 2674.99 2230.3 2309.4 3514.4 6823.18 5939.27 3737.09 3006.35 6606.81 5550.74 7791.22 7629.69 5440.2 4068.77 10924.44 9019.63 36348.27 4645.36 541.82 2474.3 3751.38 6181.33 4413.06 3519.75 3993.94 8363.72 8914.76 17291.3 19892.76 3637.02 3747.08 2438.59 9626.5 4747.57 2078.92 3139.01 2933.77 23026.46 10445.8 5227.5 2762 12945.89 7038.19 13352.8 5552.33 4909.13 12186.94 6177.79 3749.18 3116.14 6423.14 4529.97 8987.17 833.63 1699.94 4193.8 3726.74 3901.85 2962.78 4583.07 3188.49 4245.07 6200.6 10526.7 3844.76 5368.75 3823.77 5117.08 3633.99 2879.48 6343.31 4816.5 6912.9 6796.02 6913.96 7308.96 6915.29 6688.15 6796.11 6809.67 6915.9 5-Hydroxymethyluracil 57117.11 52769.81 65429.37 54842.2 63500.77 43710.4 57161.96 70305.3 69217.84 58519.3 28174.16 52181.66 56487.78 53544.81 53667.41 50582.67 52146.58 53387.58 61799.49 48048.19 59610.53 41707.18 44927.51 55125.08 54137.26 66886.33 63954.99 57669.84 60264.93 46297.43 48449.91 51853.94 45905.63 67781.47 55439.05 65993.04 54022.05 30861.94 55857.76 47575.01 44742.42 47679.7 55500.04 50265.52 55390.27 42832.81 59449.47 54704.55 37937.23 43869.17 46700.37 47611.38 53199.08 38666.7 49575.59 46365.42 51316.38 46367.89 49770.78 33108.83 45092.27 48704.69 49400.25 52439.17 53026.06 53783.02 43177.21 53255.3 56213.64 59205.48 50742.62 48192.69 33221.29 40140.67 49488.84 14258.52 19172.7 17216.89 14831.94 18688.28 18494.08 16127.24 19899.23 15898.9 15654.61 18190.06 15405.15 16968.3 18447.41 18665.46 16515.65 17842.07 19862.24 16406.86 16198.73 15578.49 17813.15 16409.67 18292.89 16480.55 51947.3 50963.88 50966.56 51109.51 51043.02 51423.53 51427.9 49658.55 51295.91 Safinamide 1869.31 548.59 1593.69 2787.9 4483.22 3467.8 3725.37 5001.45 6110.72 1610.03 555.12 1079.4 4434.31 1297.79 8481.86 1479.63 3632.44 5918.04 3773.99 1637.8 9188.47 1154.52 644.27 1718.24 2339.05 921.29 563.14 1166.73 3059.01 3399.77 3589.18 21457.17 936.98 886.8 1336.67 678.4 4389.59 2142.15 686.89 1286.5 2391.46 4935.28 1320.4 1125.48 3823.84 2819.69 6086.47 1194.46 2762.23 4866.37 4812.03 3213.74 1652.2 4272.48 2731.78 3582.58 2211.15 1104.75 2691.21 25986.19 1252.63 4676.24 3758.26 1653.97 1014.27 984.92 8975.97 2050.34 2550.37 5060.5 7470.28 2573.99 1418.51 3371.81 3827.04 4385.55 4037.74 4178.93 3818.33 3744.29 3815.16 3711.15 4015.82 3941.44 Tyr-Asp 8305.02 11768.43 2437.38 5008.05 1543.38 9431.16 1720.93 6900.83 7124.15 1028.9 3125.37 5827.68 2234.41 487.87 15979.1 8472.31 6065.29 12632.32 20891.5 36905.52 6021.88 11753.37 935.57 2524.16 3689.41 9790.15 3242.82 3059.06 7442.56 3828.76 993.35 8476.98 19201.06 2136.44 3821.33 4433.3 8184.45 2688.25 3191.67 5470.61 7726.79 4053.06 4917.84 3895.38 6826.24 582.13 22594.67 12066.58 4132.69 9610.39 5245.02 3924.25 529.89 1664.98 7644.93 6010.58 3764.33 4980.47 12947.59 11458.76 3084.55 634.09 9394.13 6358.77 16296.52 1328.46 10476.99 449.78 1921 11118.84 17890.9 2906.87 6697.08 12426.61 4619.65 6482.8 6464.26 6583.19 6388.57 5903.95 6775.83 6431.6 6474.72 7290.66 Ala-Tyr 13615.67 16881.1 11713.57 16850.09 24499.77 36051.06 20251.58 19740.1 22213.83 15015.5 15959.06 21205.05 23574.39 14753.57 17883.77 19327.65 11915.59 27781.95 20144.14 49376.57 18866.51 16598.89 12378.91 13714.37 17494.02 18399.1 12522.12 17195.94 46430.14 12448.04 37358.04 25868.3 11989.36 18837.26 13606.8 37551.87 17996.45 18328.32 11976.48 11151.67 43858.68 28461.4 15973.11 15658.72 41359.67 15932.72 42835.68 20673.62 17919.28 31922.86 17571.26 15121.14 17699.17 23211.98 12618.61 15917.08 9881.78 11720.64 16769.19 13867.67 10313.75 9507.54 13485.91 14313.94 12834.83 18798.95 21456.44 12494.26 16147.66 24005.43 17324.73 16553.16 14909.45 18650.37 18657.27 20512.23 20607.17 20468.47 20607.16 20466.03 20287.37 20505.83 20608.14 20610.61 4-Ethylbenzoic acid 23512.83 32646.42 18784.59 18950.44 18305.69 14115.18 21880.88 27809.46 19156.23 33959.37 21309.01 22263.87 22583.25 27725.08 32217.6 26800.43 23185.86 25314.49 28180.08 9832.98 9501.13 5874.62 20971.89 24171.2 27859.38 23423.08 31842.64 27645.79 29491.2 2682.8 14875.45 22873.38 27030.4 20899.3 20021.71 29907.67 24673.94 25142.38 25023.35 33139.38 11208.22 23108.73 23412.52 22819.27 19148.34 20038.91 26320.69 33630.09 23386.97 22931.05 19595.37 24698.15 21595.58 21645.86 22742.44 28935.84 20663.61 23824.2 25409.15 18696.41 19967.37 23946.2 22527.82 18850.59 28575.14 26878.41 18076.92 32637.55 31765.74 27436.4 31867.09 30945.13 25936.61 26904.86 25110.1 24144.35 24131.08 24144.73 24035.15 23976.98 24107.16 24135.8 23585.85 23957.18 Phenylalanyllysine 3509.91 8559.09 3527.94 3598.15 29513.29 709.65 4083.95 8183.28 11317.14 5998.31 2113.55 4677.3 1540.06 2904.36 32072.09 7887.12 4125.67 7078.82 5521.44 8678.91 2951.98 2301.57 1240.06 3795.24 11950.13 23231.49 6718.46 3102.55 10003.46 2212.61 1390.44 6346.29 3410.9 6970.82 3714.64 6613.02 6948.45 3594.82 2809.32 5100.33 1283.55 5929.19 5026 1723.69 6078.82 7123.89 6783.3 4282.99 3285.14 6900.53 7206.3 2516.48 5314.89 7981.26 6450.08 5871.09 8960.29 5499.84 5973.84 7434.93 4974.47 3721.28 5935.74 6080.97 5819.28 9439.5 3346.73 2711.62 3081.91 9072.02 7835.94 4004.69 3921.68 7236.7 4326.28 7556.41 8029.87 7895.73 8084.99 7859.37 8863.69 7111.42 7967.42 7854.67 1-Deoxynojirimycin 4766.64 2958.87 23229.06 13982.9 10563.38 3796.88 18641.52 7183.76 5638.62 7133.51 8837.64 5105.54 1314.18 1673.88 6979.76 9174.8 675.65 1053.3 615.23 2135.03 5279.67 2569.67 611.37 6610.96 2889.02 2626.48 2425.16 3624.46 2668.62 744.87 3937.88 1546.4 3961.33 11165.52 12440.94 3498.34 5722.87 5154.46 11581.72 9081.16 2050.5 3046.07 14424.25 11053.89 5156.61 10157.57 4879.36 5390.2 3281.08 5207.41 5000.65 15918.33 8609.2 10600.21 5806.84 7779.55 19145.51 14230.02 5398.4 5977.89 7300.43 9914.39 17524.93 23508.6 9466.69 5322.32 10387.4 6610.09 8648.13 4844.96 4964.51 4039.12 8644.42 14037.28 18431.4 4615.23 4825.56 4301.64 4218.48 4386.34 4347.9 4592.18 4406.31 4424.78 4389.56 4670.26 4580.17 4415.62 4342.34 4274.48 4777.67 4318.5 4554.25 4395.17 4155.55 4469.31 4330.78 4279.9 4643.33 4190.37 6237.08 7719.62 7728.94 7927.03 7812.54 8048.56 7728.42 8123.02 7706.59 alpha-Hydroxyisobutyric acid 934.99 3028.94 5637.53 7874.88 7467.96 1706.89 5968.18 3996.81 8484.4 2492.1 2888.53 6470.92 9669.35 4018.81 2582.08 6725.62 2651.67 2530.66 2072.42 3385.56 1702.65 5009 2706.01 3378.13 2256.3 838.19 3584.91 4058.6 4083.48 1883.06 1959.01 3248.45 2703.54 5351.12 1018.6 3531.57 1470.96 2645.49 1698.97 6313.4 1995.99 3680.85 11342.33 2486.55 2941.63 11240.5 2521.12 9975.38 1099.66 6625.98 901.29 1479.64 1470.68 5029.72 3636.54 4941.93 629.36 526.7 3363.99 733.27 3347.58 2554.68 4069.84 3064.05 2547.42 4757.66 5731.07 5858 4977.23 1208.56 1185.97 7049.97 1661.3 6073.28 8797.44 3126.02 3246.43 2899.25 3234.04 3234.44 2979.35 3183.17 3327.99 2258.92 25-Hydroxy-vitamin-D2 24878.05 28490.26 25481.7 16297.71 11927.15 30970.72 9224.47 2480.02 25237.31 31303.33 2204.17 18793.64 13015.45 19570.99 12551.07 17354.11 10568.67 3229.33 18222.84 2504.96 20170.6 18991.18 7249.36 30317.38 12174.27 46853.88 49473.45 36301.41 8875.04 35238.71 12361.31 28068.59 3474.15 10077.46 45836.2 12098.57 22997.18 48748.34 27860.6 15721.19 8998.73 11642.49 25078.19 11359.34 7191.06 24797.42 7555.86 19749.26 3223.38 5624.02 11757.58 14871.82 14819.31 14503.64 4204.98 10971.21 10286.1 11278.04 4966.87 24726.57 16824.9 9703.72 6834.74 19777.05 16123.9 8873.7 21226 39871.44 20305.99 16948.31 21444.75 11939.52 14318.84 9508.28 8328.5 8645.68 8435.66 9225.29 10352.52 6677.69 8584.15 8644.16 9956.48 8868.32 Leucomycin A1 524.6 509.4 470.13 2334.79 2154.63 3661.73 1373.37 5062.41 707.75 1102.09 1030.79 2858.63 3703.11 6219.98 6282.19 768.09 1985.76 12089.44 11396.87 5092.35 2696.71 993.12 623.41 2892.11 1504.12 2535.77 520.11 1681.25 1564.52 960.77 5661.7 15138.27 4381.8 1145.66 437.26 5034.18 3503.81 850.28 1545.26 1773.33 347.82 4799.31 4185.77 968.92 5128.61 2718.69 6160.25 4867.68 5824.6 11206.78 750.09 8565.64 861.82 493.07 831.35 7155.43 1303.5 2221.21 3754.37 1201.16 416.95 590.48 2475.42 3095.04 2644.38 3454.31 3666.84 1131.89 642.76 6693.24 737.17 2051.9 4586.84 838.56 2149.24 3577.68 3497.38 3584.05 3323 3349.75 3602.55 3494.17 2360.15 3939.44 N-Acetylpyrrolidine 23491.61 18924.24 2435.91 27062.09 35518.11 12435.08 63165.84 102759.75 50995.53 21153.11 11802.12 19794.39 4760.68 13305.01 36576.61 31197.93 31529 24103.08 17313.36 100130.89 35257.67 16359.62 13655.19 13522.39 37133.16 45541.26 20784.46 9950.63 65349.79 22428.78 20418.61 13143.87 25755.15 20379.63 14119.11 39565.65 33486.97 32331.72 19832.69 18840.49 4927.84 8114.27 21495.07 13910.89 26845.38 55765.24 36059.1 29466.19 15058.78 20907.47 35133.47 28038.87 21074.2 36815.55 23250.19 17732.37 22813.5 21048.59 27942.63 4127.86 12936.44 21623.56 16850.5 29406.24 7195.88 30219.54 11646.63 20458.53 16856.82 50717.46 37895.8 24324.1 11698.76 27004.64 47110.34 31529.52 33603.82 33170.11 31899.02 33327.24 31451.66 33209.84 25515.5 31439.54 Fluorometholone 3059.48 3131.39 1105.52 1512.75 989.15 2723.45 6097.78 5279.76 6773.51 3660.47 3202.99 7736.18 2829.44 7572.44 2861.36 2783.46 1036.9 3196.04 3272.82 2829.93 3512.46 2918 2183.13 657.93 5350.79 3331.06 1104.23 1060.72 8806.51 2317.17 11574.86 5187.17 2187.18 3615.19 1949.29 4803.76 1116.82 769.65 1636.21 2005.92 1361.72 11412.4 2282.14 1499.71 3593.96 4083.51 4755.81 3308.21 3228.93 2322.68 4652.99 6712.33 896.36 6712.48 1842.5 6715.27 969.66 1493.29 2617.96 929.31 1762.68 1382.45 1479.68 2077.49 949.22 2491.23 1452.98 2466.77 1214.6 1250.03 1040.21 5260.05 2240.12 780.37 971.86 5078.46 6181.02 4691.4 4988.81 4549.8 5112.82 7786.2 5347.08 4674.3 5959.6 3795.65 5061.52 5263.17 5329.99 5067.91 5711.23 5132.95 4579.54 4236.76 4368.28 4681.97 6252.15 4751.0 6653.47 5789.08 4341.93 3878.31 4283.67 2526.9 4191.68 3974.75 4044.61 4281.64 4288.7 Ionomycin 355.32 1106.33 1809.82 2096.45 1337.38 805.3 3420.56 1171.83 575.16 905.83 2351.17 1705.98 461 2520.57 571.96 2746.1 1894.21 1245.43 2000.6 1005.46 1282.52 1081.7 2452.75 994.46 522.34 716.9 1341.23 2796.33 1182.95 838.48 306.93 2412.9 565.72 1187.22 3293.47 1001.04 1452.54 2318.17 1468.58 980.76 483.28 485.07 2312.67 4676.16 1040.55 4266.59 738.64 2231.92 2292.22 4749.8 400.14 852.56 824.57 5066.24 719.51 1192.3 928.29 2704.8 344.15 3170.41 4981.07 2656.99 1188.97 6024.51 2532.83 2818.16 1085.69 2317.11 3507.4 351.49 1893.83 617.2 5492.36 6967.88 2464.26 2762.36 3128.52 3238.05 3063.64 3707.06 3879.38 3398.1 3265.31 3170.07 Nelarabine 15538.64 17607.81 9469.57 7909.35 24717.82 19950.25 13869.13 20866.83 16080.77 16007.63 11702 12743.32 16269.86 7440 14709.17 9810.87 11014.84 15750.72 7696.46 16378.29 16869.27 5431.35 11548.88 17833.13 20423.66 18448.76 12096.15 15276.94 23228.91 13009.21 30064.54 11395.84 7790.31 15818.39 13293.13 18094.72 17910.56 16654.72 18342.6 14572.82 20351.88 27096.94 11207.78 9985.97 17638.34 9687.7 16786.21 13653.42 12368.94 14660.39 20367.19 19362.63 14771.01 7675.55 13756.74 10404.3 3807.46 9000.41 17122.08 11343.07 10719.78 11686.41 10470.64 13347.61 9084.56 16726.31 16635.83 10820.34 12105.31 17278.5 10826.74 15310.55 12064.29 14103.35 15306.28 15331.27 15273.98 15481.92 15693 15701.76 15660.26 15311.62 15662.66 15122.02 DL-3,4-Dihydroxyphenyl glycol 4279.11 5825.9 3893.23 3178.85 5233.53 4318.67 5442.14 3807.15 726.84 3922.73 3400.1 3368.07 2618.21 3460.76 3447.17 4973.99 3443.24 3501.23 2618.36 22719.01 3319.74 4286.61 2579.22 3346.29 3914.82 3745.44 3925.33 3146.26 3727.79 4003.14 3877.56 3882.12 3388.06 4105.52 3016.2 3354.46 3574.6 3980.98 3647.33 3163.28 4451.26 3895.56 3376.98 3194.69 3827.72 3151.27 3687.27 3659.22 3183.77 3531.7 3375.12 4501.75 3722.49 3333.43 3521.05 3319.62 4092.59 3587.91 6407.24 4461.9 3885.1 5031.72 3163.11 3245.07 3222.61 3507.84 4002.84 3541.52 3689.2 4615.06 3690.92 3987.15 3518.38 1732.83 2495.74 3849.37 3942.01 3813.63 3929.75 3980.29 3843.97 3848.09 3922.12 3850.14 Amidate 46019.85 27764.8 8190.13 1332.59 38104.68 25785.61 6842.29 65390.79 71483.51 37611.36 16453.87 32858.95 13879.4 24891.14 41313.8 36522.67 20511.67 35461.05 32439.08 57424.97 47797.39 15371.05 9735.51 18905.48 47486 33029.27 30748.29 38942.48 53928.57 38158.13 52181.72 41268.88 19213.17 16650.9 9090.82 51666.29 61475.27 31722.92 35991.38 32056.26 55650.16 58611.05 17410.63 22322.54 42314.09 22380.18 54542.29 33857.89 41952.44 46976.96 42459.84 31114.91 21407.12 28318.79 42574.4 28941.37 7233.14 8660.43 48224.73 15419.66 19106.33 18489.65 31424.19 20596.66 28888.77 46786.79 48306 35184.77 43678.22 46817.05 68363.39 36103.14 47516.48 17503.84 33460.71 56484.36 55307.7 51684.68 51759.47 55306.18 51773.93 51713.46 55440.48 52308.4 Glu-glu 666.07 629.03 845.54 577.29 1688.84 2938.47 7947.48 602.89 785.69 1993.55 413.81 709.36 2023.17 405.63 1074.05 2415.71 569.33 883.75 829.46 1778.8 1081.49 1253.72 1578.95 2802.02 729.24 394.81 612.28 4001.88 1098.38 1262.62 1436.25 4319.66 1361.46 1987.03 552.57 1317.1 2951.95 1519.25 2699.42 1453.41 1209.48 2219.16 1452.14 405.52 812.73 2975.91 1916.44 2785.23 775.14 1112.7 1445.44 1374.22 1594.04 974.82 636.42 1372.49 1239.02 1070.94 1574.67 754.98 1630.96 659.76 1486.65 698.89 679.17 1539.21 1556 602.26 1119.36 1218.72 2255.31 636.95 1406.47 4690.68 1780.38 2579.2 3099.32 3137.89 2889.26 2870.68 2924.48 3112.61 3339.92 2392.17 Ubiquinone-2 9383.96 7882.67 1377.87 2388.5 11624.72 4954.78 2506.91 15775.27 22167.28 4924.54 12822.77 3589.28 3973.63 4733.13 14327 11720.27 733.54 8438.19 3150.5 1426.29 9185.04 7461.54 1570.53 2866.33 19785.6 17676.48 10301.64 13667.31 18500.22 1456.71 1441.71 2615.54 1882.5 2683.59 2478 15568.35 7243.24 2574.72 3667.02 46455.16 6234.72 8558.33 2523.48 1870.45 21206.88 1003.54 11413.91 4637.85 3042.53 4197.78 12329.49 6910.59 867.96 1388.49 13625.13 6283.68 1498.12 536.07 13198.53 3050.67 5431.88 1132.87 9996.83 3018.24 1457.6 14698.5 8910.8 9529.39 2028.9 29464.34 10481.03 4844.47 14423.58 889.66 6693.22 8901.31 9116.53 8888.26 8884.34 8729.16 9018.59 8887.3 9104.91 8878.4 Methyl 2,4-dihydroxy-3,6-dimethylbenzoate 37156.93 56776.04 48035.1 60321.3 47342.05 53523.32 70313.79 48084.45 32691.5 65047.41 47638.04 56527.92 61893.67 63887.84 56335.35 48706.14 50042.04 42918.5 64510.55 25475.35 19253.09 52177.76 52877.13 67766.85 50940.86 30428.13 65575.27 56444.01 61433.72 12910.96 27891.42 52862.19 50527.57 58321.62 60975.85 59150.52 42584.95 48506.52 65399.72 63913.67 24039.71 47206.4 66580.73 53920.99 41798.29 50178.53 47160.45 69221.01 55591.08 51532.45 38378.31 53169.9 59064.62 59750.96 41909.71 53999.18 34433.61 41493.55 41275.5 41336.95 65069.29 72203.05 41559.38 47442.25 47615.85 58601.18 30978.59 60188.12 54512.27 39450.09 41327.06 58172.77 40834.07 61354.77 57943.48 53222.77 52430.57 52463.18 52267.03 52081.75 52085.44 52470.61 51262.97 52222.96 prostaglandin D2 6871.99 6608.88 17980.44 50241.92 90937.15 187271.45 77009.26 3816.68 2140 9553.73 6192.82 8480.94 21927.34 8667 1519.32 44880.8 8163.3 1245.34 2616.45 9381.8 3117.47 18344.92 9014 9164.12 4851.25 5698.78 8220.39 1370.8 2125.69 1126.08 10185.78 4472.77 1254.17 7088.19 6603.25 13179.11 4656.05 7389.02 11778.39 7925.41 48201.1 18317.5 11357.42 9922.07 9316.26 46156.65 8349.24 12605.8 1359.05 15464.28 10715.99 10997.59 4985.48 15754.29 15042.53 13012.69 9650.34 10993.68 7948.73 10130.48 14710.05 6126.64 10436.35 10794.69 6450.11 19335.42 20234.63 8796.23 10710.71 2272.48 34381.61 2080.07 7761.22 13528.13 14346.89 22863.52 20286.36 20480.65 27492.38 21324.74 22797.17 20712.93 22678.76 28798.78 Clindamycin hydrochloride 4335.93 851.69 10142.97 27645.62 1133.09 11436.5 29806.53 6946.1 6808.12 56076.79 14661.66 1729.01 68872.53 620.96 11907.41 59643.6 255691.92 6977.2 4733.95 5907.64 10723.75 7337.01 958.44 1999.63 4539.43 6886.98 5134.83 5110.16 5765.22 163.67 8457.49 480.88 93915.15 11859.83 5960.89 4565.32 5186.91 18083.53 3346.67 3125.95 28556.57 14293.08 4681.9 6116.87 6286.29 23392.43 50021.02 2005.72 7487.44 3504.48 18817.42 13533.22 7280.6 7729.81 6949.61 22067.65 270473.03 1559.57 73851.08 1883.44 4546.57 1161.5 6854.55 2362.2 3149.49 10684.72 10575.46 7324.82 5537.19 4286.86 2371.66 10950.4 3574.29 5355.86 985.78 29170.79 29099.84 29091.58 28970.51 28955.59 28949.28 28940.28 28952.17 29170.49 Sulfasalazine 2089.08 664.62 525.07 300.05 1641.29 664.53 552.71 2975.33 2238.82 1183.09 474.46 517.78 334.8 416.03 513.43 812.47 419.28 1461.78 397.62 501.51 2028.74 485.84 515.23 444.75 1998.89 641.42 926.57 704.43 1502.23 2379.9 3050.52 665.28 342.4 619.68 392.92 1671.34 1312.16 631.48 810.47 479.12 2087.88 1721.45 514.38 279.38 1182.57 738.26 2159.86 357.71 1729.46 1068.72 1480.94 622.73 429.47 351.08 1577.9 300.58 317.27 487.07 1678.33 353.83 527.41 1259.37 676.32 270.15 1026.66 1549.07 785.56 711.46 1525.53 2001.22 2194.56 883.46 1373.93 430.48 760.26 1508.58 1254.8 1430.89 1477.61 1469.51 1445.75 1507.98 1453.91 1518.21 Saxagliptin 11426.71 7102.25 7176.59 2406.85 12095.93 7673.47 14934.84 11206.62 12487.1 11480.22 7380.08 971.04 5253.58 5321.86 10616.47 9112.04 4772.39 9704.38 2645.17 16497.42 19116.28 9180.06 9270.11 639.33 11135.88 11469.63 10662.41 12414.58 1829.76 3726.57 16505.45 11336.3 2779.18 11779.78 6349.74 2261.18 10476.67 5274.27 8280.37 7124.39 28173.71 16067.24 7010.54 5979.91 15203.58 8908.04 2621.86 1103.98 701.57 1037.75 9327.38 7060.74 4597.04 9503.11 9858.14 9983.48 6717.31 7473.39 10314.57 10318.63 6175.46 2821.23 8517.01 3440.1 5494.88 10012.03 15781.81 8823.96 6127.17 7622.66 8548.56 8335.86 10301.07 2615.3 8640.42 5315.29 3642.61 5320.5 5059.67 6022.77 4750.49 4937.62 5099.63 4490.11 5253.02 4557.4 4868.24 5112.13 4867.53 4280.79 3894.36 5015.61 5412.21 5347.05 5618.79 5113.92 5787.61 4882.88 5447.53 4761.7 8191.42 8470.48 7944.25 8584.75 7636.94 5720 8478.65 8074.54 8322.32 Hydroxyquinoline 494.42 3692.41 31531.67 13739.72 1650.91 45048.77 11364.32 325.63 2351.26 8096.35 3028.28 4719.15 226.1 2108.21 6020.7 7108.22 9615 3078.06 4114.53 6595.56 3690.34 57729.2 5629.63 586.06 750.24 3989.67 437.03 4087.35 1205.7 285.8 2957.31 5553.23 3025.95 5324.23 2336.96 1346.09 1958.81 58159.64 2537.8 1846.47 2177.32 1163.27 3248.91 2624.32 1015.82 6932.57 3650.21 13735.41 8373.41 1322.92 1904.3 4492.3 2315.89 2975.42 2895 5081.1 16741.08 23160.88 2273.08 61380.52 7541.98 3594.53 3671.78 4218.07 3980.22 1678.32 3842.48 5770.92 1773.33 1257.81 2011.64 7186.4 5332.75 10473.03 3151.65 8714.73 8686.74 8714.74 8755.77 8714.83 8592.14 8683.92 8683.7 8722.06 Spaglumic acid 6673.65 7205.24 6714.51 7299.99 12558.53 3391.64 7338.19 13965.56 7199.82 2270.9 3494.32 1530.99 1397.19 1890.68 13443.32 5452.18 2394.89 9984.73 602.39 8974.34 7655.86 1480.39 3972.19 4215.12 7097.4 533.4 2903.01 1629.57 15478.95 3299.49 12263.27 4288.9 2746.23 9987.47 4662.02 7228.96 10313.98 2921.46 7473.19 10932.64 3541.63 812.68 5412.11 5030.37 5861.78 12420.66 9752.6 7861.92 505.27 1008.97 10240.17 7537.52 6385.86 10289.97 8716.1 3421.82 6256.91 4160.46 9754.88 1303.07 5086.61 8054.11 4956.77 8200.05 4294.97 8147.44 1523.75 1779.44 4066.86 10858.59 8253.97 6376.18 8652.44 7977.19 11857.85 6895.26 6880.57 6777.7 6801.48 6881.56 6662.7 6867.94 6119.74 6881.35 Megestrol acetate 6171.62 12858.51 2212.93 9377.87 55730.31 8495.57 32906.26 4826.83 9139.05 5700.59 2679.83 10990.87 795.32 5869.99 2282.46 5425.05 2593.75 9907.69 5311.56 7893.38 8105.22 1119.5 1505.16 2509.43 8572.71 9848.36 3274.17 4511.79 15254.74 2304.83 12102.39 5673.53 5130.57 4830.58 1813.82 11631.7 7742.38 11306.77 949.83 786.55 17076.53 6591.49 4724.79 3288.12 4519.07 5892.64 6169.73 2943.44 3145.61 2375.37 8173.56 10527.4 4745.34 2076 5864.06 4100.96 1626.45 4398.19 6808.33 7601.58 1322.73 1496.56 8253.75 2098.72 3171.2 8190.19 8705.41 779.55 5144.85 3133.2 4355.55 7286.69 4479.33 5771.78 7394.99 13013.51 13318.71 12516.96 13551.67 13581.25 15523.11 13334.49 13382.81 13699.14 13530.26 18075.72 13659.47 13407.3 14795.91 14098.41 11802.71 13483.99 15449.7 15073.89 13952.65 14645.64 12406.15 13770.72 14803.73 31053.16 7727.65 7665.81 8153.27 6545.51 8176.53 8177.98 7707.65 8188.94 8064.76 Isofraxidin 14754.14 14200.82 25891.51 12565.09 8192.26 9845.4 14233.33 23891.52 12801.26 15675.33 24152.63 13084.85 11462.75 14014.26 13808.16 11953.6 12102.2 14834.21 12308.8 12494.34 17138.79 12455.1 12149.66 13272.18 13024.76 13075.09 14409.33 13648.12 9345.52 13127.55 3135.34 12440.29 12440.6 14125.9 13207.79 12694.04 12916.37 33158.73 14404.69 13164.81 12665.83 12565.02 12817.17 13738.68 12864.54 11351.56 11877.88 11299.71 8295.59 24705.17 12190.73 12125.48 12156.96 11881 14953.57 13425.4 13965.72 13600.03 13029.8 12778.24 13015.2 11841.57 11707.96 11795.99 16069.24 9298.73 13157.82 13594.36 12849.01 44563.06 11714.18 12691.69 13806.12 11968.91 13643.14 27918.3 61156.26 25952.2 27789.16 26431.64 26800.13 24969.67 25115.96 24384.93 32118.08 28550.86 34295.69 25572.89 24445.84 23994.06 24545.84 26058.61 25927.49 25257.98 25350.2 27028.54 26865.41 26825.83 27134.64 26479.46 23051.71 23054.93 23290.3 23179.94 23088.35 23063.88 24557.71 23374.43 23274.57 Moxifloxacin 2430.2 2806.74 2130.63 1990.73 3768.32 2091.11 1389.79 3581.76 3062.54 850.65 387.65 2914.39 1849.89 3991.73 14105.03 6072.91 1218.02 1847.81 14707.65 11309.72 1391.93 9120.81 1201.07 782.02 930.9 1494.81 2328.25 783.3 1302.37 543.5 3763.78 3894.07 3592.17 4182.38 619.03 3039.11 1255.29 5616.86 559.33 5018.92 9046.92 11354.44 4395.2 3348.77 3660.36 2363.02 40316.54 16431.21 7973.17 18375.71 6052.13 6138.38 4037.74 979.58 2579.44 20156.04 3224.32 3787.82 7451.82 4190.23 3963.1 523.52 5004.98 11367.74 4307.37 6912.73 16588.42 3624.4 554.39 5073.25 4549.86 799.36 974.27 6297.79 5938.46 5541.65 5825.66 5617.64 5596.02 5673.18 5433.75 5607.67 5424.52 4273.21 D-Fructose-6-phosphate 24855 29143.45 22818.9 31035.87 16508.98 2372.41 32194.79 21267.59 19548.97 14816.72 19037.34 18363.66 17324.79 21673.86 32542.72 25637.3 21694.46 27308.23 16102.74 16075 18531.61 5425.81 12737.32 23785.24 24394.29 13972.68 17977.25 15550.82 15974.18 642.25 25044.33 8937.26 14216.12 18415.18 21914.4 19834.3 27209.13 9698.95 25793.63 40393.3 5232.25 11731.03 29049.41 29489.59 18428.06 22949.54 32019.72 30928.13 8965.24 18067.87 18815.27 26224.15 24068.05 24934.97 24591.87 30350.42 30626.61 24369.85 22443.24 14759.33 24302.49 29751.48 33942 32741.15 22183.11 29830.97 17564.5 20247.03 26877.65 29198.44 26710.49 19626.34 31126.38 30111.51 40538.01 48717.8 41449.42 46405.62 58804.3 55239.31 36173.1 36867.24 37621.3 46608.83 39108.34 54500.16 35639.79 40065.2 43342.8 23282.95 71871.83 37387.52 46714.98 74059.52 28083.42 41045.72 41783.92 53977.72 51854.24 46128.36 22190.51 21979.6 22133.87 22015.1 22070.94 22193.83 22190.55 22014.97 22196.53 Isopentenyl pyrophosphate 4190.03 5164.44 30269.78 64373.73 12680.46 36759.14 59584.67 5289.7 3705.6 7049.4 14317.88 12369.9 59416.27 32512.87 4777.28 14863.54 29631.77 2558.63 27318.18 3888.48 4135.93 108040.07 40811.64 37247.18 7280.27 5909.32 27888.1 11550.34 11235.58 130400.95 6512.4 178959.08 4049.28 50885.55 66997.64 5971.4 5737.44 12525.42 44456.78 21235.41 87380.7 19169.92 39112.65 61460.75 8250.22 76209.79 3670.45 12128.62 8633.84 12890.16 7242.73 843.9 42521.8 61771.85 45206.38 7111.41 95963.26 109378.54 5737.43 50584.95 16637.8 30417.57 3739.98 62175.99 8260.1 9542.14 3444.13 11545.57 13050.32 1751.35 2955.69 82232.83 30144.62 72542.41 55824.07 151794.58 152013.11 172940.0 156492.04 184088.71 110879.95 163988.03 196864.0 110775.55 121037.1 101123.62 172147.64 129487.94 200297.9 112328.41 118095.39 148111.74 149407.22 204008.58 148187.98 157722.75 174541.85 141504.68 140733.5 177574.92 27739.42 27910.72 27650.19 28226.46 27737.83 27962.6 27741.45 27413.2 27963.16 Fexofenadine hydrochloride 1183.88 5102.99 2800.34 8330.82 8910.98 3967.89 4976.37 10871.86 16794.52 5978.62 6229.29 7613.31 1311.83 2580.43 8875.86 6651.74 7985.66 7952.08 1818.56 7270.9 7833.88 4423.21 4686.51 3078.59 3229.68 4538.73 4612.77 4421.36 5139.4 6638.23 19303.73 6045.22 7895.45 5030.68 4898.29 13311.47 12034.02 9193.69 5988.69 5949.28 6258.5 15793.96 6477.46 2667.59 7974.84 8575.72 4800.07 7040.47 7707.07 10925.47 9873.94 8933.92 4921.45 5578.26 6681.16 8197.95 2602.4 1684.02 8066.01 6381.92 2012.99 2084.78 8485.74 3531.21 4406.71 7762.64 13886.56 5394.84 5521.8 8423.04 12138.02 8003.52 5637.4 4036.61 6786.95 8687.03 8010.32 8968.33 8292.75 8262.32 8747.93 8586.16 7270.52 8693.71 Irisflorentin 1513.29 6107.57 1027.42 3931.44 1413.68 1252.94 1083.58 1246.02 6328.68 4386.3 1071.56 1328.81 1610.02 1665.84 3193.9 811.39 3560.3 2840.44 2044.04 1457.87 2126.76 1206.34 1260.6 1624.61 2911.46 1099.82 5909.9 931.04 1524.05 1715.16 761.72 932.08 1871.57 969.85 3237.46 1732.92 6515.36 2984.91 2309.44 8544.18 2527.22 1636.68 5564.74 2584.49 1768.68 3000 2898.59 3605.07 1094.24 3928.7 1006.2 4944.64 2205.01 5701.07 5794.68 4478.54 3237.74 3301.23 2853.31 1623.71 1757.24 1380.35 6336.56 7572.28 3288.58 6048.46 1865.18 5117.36 5184.24 4337.34 2716.87 6834.71 5134.66 3952.2 7144.1 3027.04 3137.18 2445.26 2936.04 3190.05 2964.12 2938.21 3268.69 3545.63 Methyl benzoate 887.68 920.94 2334.74 3258.13 2410.76 2712.62 8071.65 818.98 4190.01 3101.18 4184.41 4821.31 4605.06 4192.78 3150.67 6923.15 4654.16 2901.5 4215.32 2892.3 1404.15 2677.28 2717.18 3846.11 2507.26 4689.31 5735.11 4412.12 4221.56 2028.12 2755.01 9724.5 1501.51 2783.06 3167.44 2217.98 2701.14 4105.1 6425.21 3601.52 3243.8 1148.65 3579.19 2073.81 2836.45 5123.14 2405.57 5340.36 3901.94 8877.81 1644.52 2050.68 2229.52 3180.27 1264.81 565.3 3322.87 861.83 789.64 813.19 3975.72 4101.09 1413.41 3571.65 500.64 856.56 1289.93 6463.52 5059.08 3217.85 1531.82 5239.11 3234.14 3537.25 6134.92 3378.54 3511.7 3470.93 3514.1 3503.43 3434.17 3562.99 2562.66 3483.19 Cyclophosphamide monohydrate 1332.09 8319.38 11740.74 10665.56 3474.57 7227.16 3767.08 1251.02 907.81 9755.37 1799.15 1663.01 6450.34 3198.16 2150.1 1577.15 4334.74 1232.86 2069.18 428.97 621.16 4570.55 6524.2 3374.56 1881.65 2612.04 5170.29 2646.85 2864.66 670.45 351.51 1247.9 1186.78 18196.64 7824.16 1431.09 1265.77 3489.86 2752.78 2775.47 1520.47 1333.89 3122.21 2931.83 1608.71 3331.09 1299.15 1712.51 3587.15 1572.23 1535.59 15790.71 4750.11 4864.69 2319.12 5671.64 7650.89 9391.87 1171.32 5804.39 5000.9 17940.42 2156.03 3115.51 1162.96 2583.38 2205.58 4375.15 2061.87 1335.12 786.22 12381.01 1003.06 7319.99 2337.69 5244.65 5203.7 5203.99 5244.89 5235.5 5202.59 5268.34 5218.55 5134.68 Sarafloxacin hydrochloride 969.88 966.08 1917.4 694.63 2148.07 2179.43 1228.47 797.31 2622.39 1133.68 2016.25 1207.83 807.55 960.25 2403.48 1389.2 2295.32 895.34 524.31 2051.95 905.99 1246.36 689.01 1818.37 1450.04 3306.71 635.34 1644.14 1638.1 1875.51 1089.38 1399.08 1112.64 3342.73 1466.51 1753.36 1810.95 1165.17 1046.75 2986.35 533.04 2322.77 2159.48 494.76 1807.96 1772.85 994.71 1919.61 1379.12 1647.02 1718.21 2524.47 2829.39 1326.08 495.74 1713.79 1022.99 1519.84 2120.21 1294.21 376.06 1586.07 2246.89 1583.58 1458.51 3727.95 2523.31 809 1695.32 2716.46 393.27 1900.18 783.98 1849.63 1928.27 15567.92 21968.52 14648.06 15359.9 14986.87 15662.88 15183.73 15258.05 14857.97 15122.69 12573.39 14343.72 14439.04 15340.35 14793.51 16160.71 14709.89 14489.92 14964.74 15446.73 14318.43 14764.69 14455.65 14727.84 14654.31 2244.3 1647.9 2061.58 2484.26 2230.74 2135.69 2242.15 2181.44 2160.71 Octopamine 1732.25 770.77 7318.25 909.89 2632.21 981.32 3224.89 17166.61 7810.29 3207.3 808.51 764.5 916.75 1217.45 15180.89 446.89 2649.17 1392.51 649.41 708.38 594.63 1002.24 1026.01 1295.34 1558.63 2128.48 973.93 3074.81 5070.91 2566.01 1704.41 1961.4 6644.16 1758.58 7253.08 6546.91 8290.83 1961.22 2032.6 9111.07 5127.91 2315.96 13690.25 1525.65 5874.92 6649.52 7136.11 3232.14 4538.81 3754.73 6630.9 3564.97 5773.2 18179.44 12117.74 6009.04 3695.24 9828.83 5222.26 6596.96 5645.77 2623.6 17553.8 15668.1 12305.77 10091.61 3220.02 2657.43 4235.58 11310.36 19074.08 4354.4 8807 18571.16 4811.92 12094.01 12116.02 10717.49 11358.63 8658.34 9712.73 10146.36 12038.25 11044.03 13268.89 13418.49 12273.74 12524.87 13707.75 12948.06 13489.07 11712.0 12991.01 10702.69 9723.87 12202.94 10991.3 11672.07 12473.07 11102.61 7023.87 7416.75 6972.54 7034.06 7064.13 6676.95 6686.92 7029.02 7048.68 Esculetin 5162.94 7842.26 6193.82 2548.91 3323.1 1642.11 1549.5 4230.29 9319.36 6839.36 6807.21 2572.24 1951.86 4498.25 5710.93 9163.92 11981.01 5274.4 3945.22 868.84 4888.72 2321.47 3402.19 5049.45 5587.98 12498.57 9590.45 3094.85 3869.78 3976.98 2419.62 4197.87 2069.96 2567.69 4444.82 4019.63 9037.73 7622.72 4081.18 10801.98 2855.72 4565.43 5186.09 4172.2 4779.45 3166.45 3935.68 867.3 2914.18 5509.37 4585.9 8303.9 4481.46 6874.18 7087 9001.55 8645.66 5952.9 4144.76 3989.44 4140.18 3647.06 8781.6 10522.54 5330.63 8957.56 7477.78 6455.21 5729.02 7276.44 7492.32 9225.69 5960.11 8389.04 8442.7 5909.33 5789 5813.33 5912.43 6214.93 5912.31 5792.87 5874 5696.67 Oxybutynin 6982.56 8227.9 6416.41 7444.13 12384.97 999.34 9422.4 13940.21 7023.39 6326.12 7577.84 4529.92 5095.37 5825.83 5106.44 6109.48 5889.91 3937.79 6267.77 8536.27 7560.17 5072.82 4968.83 6699.34 6219.31 7413.31 6835.27 5677.62 7021.71 6152.83 7764.56 7879.65 4456.63 5615.04 6167.21 5014.1 6695.4 5873.8 6035.54 5227.1 7423.94 6905.18 5788.08 6610.57 7863.92 5980.55 5913.73 7569.47 6777.47 2792.66 7693.57 7492.75 6339.03 6855.28 9706.6 6401.5 6407.64 6316.36 6150.18 5897.53 5942.56 5265.04 6289.08 7739.59 6974.55 7861.89 7565.2 4685.69 6142.63 6052.72 6351.46 6147.33 5114.32 5030.76 6345.41 6722.99 6475.63 6493.26 6611.59 5660.54 6458.21 6438.03 6443.27 6603.74 Meestrol 5091.23 6098.17 1383.93 4025.99 7057.42 5129.28 5886.95 13461.61 7042.72 667.04 3402.11 5638.73 8054.85 6393.93 2444.28 1348.47 3311.25 7958.4 10831.78 4194.25 5927.75 3002.82 3355.15 2035.38 6847.24 6610.95 6717.28 1054.65 6985.54 599.24 4157.51 6572.12 3462.94 3725.16 1101.64 16164.19 4369.42 1855.12 4553.74 2835.42 1688.11 1581.54 4141.4 2049.06 11091.97 18024.92 3380.07 8153.42 11865.06 6932.41 9651 8576.65 15323.73 6683 3170.93 7395.95 3090.24 3168.31 6781.39 1946.63 11517.02 6764.8 12310.57 2905.76 1580.62 7954.14 6305.78 2631.24 3038.83 10489.54 5812.2 3020.88 2299.45 4645.7 1302.63 5438.92 3919.69 5785.15 5451.06 5577.64 5957.59 5766.95 5816.07 5330.42 Curcumin 4202.58 1746.48 1627.56 507.35 2219.8 7672.39 1847.24 4021.44 5917.53 1738.72 5142.98 5071.01 2468.91 3404.21 6962.43 948.7 450.2 6195.61 4729.94 17282.86 2370.21 4003.79 3023.57 2204.9 5483.31 1058.21 974.27 2400.88 8991.79 2685.96 6665.5 8553.42 2599.24 1370.59 1376.95 2826.04 1188.7 2097.73 1250.15 1684.78 11313.64 8130.57 2615.82 863.36 7003.43 6203.37 5485.28 3163.35 746.27 1891.69 2286.65 3813.64 1430.92 2304.41 1122.01 2532.83 2411.38 394 4955.6 6915.22 1562.21 488.81 917.92 2439.99 2127.22 2936 6815.74 630.37 2833.4 2739.9 2888.16 791.31 1168.22 1458.93 874.08 7536.57 12396.57 8102.29 10243.63 7969.6 8969.79 7895.43 7912.38 9657.19 7911.59 8081.09 7579.51 6739.43 7583.7 7786.12 6730.21 7257.06 7825.62 8391.88 7524.28 7938.65 7670.71 8107.54 7754.65 8505.26 2104.08 3400.15 3740.52 3473.61 3906.21 3162.32 3852.36 3853.41 4129.09 Leflunomide 7931.92 6132.61 898.64 1687.82 10774.48 9905.7 5588 9939.98 11698.12 8502.48 4870.03 4778.95 2992.12 2786.23 11648.34 6035.54 4388.18 4800.97 9005.96 8454.52 13586.51 7737.08 3267.55 4409.04 11728.45 15097.06 6370.38 4220.96 7584.05 3034.33 7427.59 5822.33 13553.72 5494.93 3229.29 5766 10046.89 11839.39 4245.94 4119.14 6335.64 14514.27 3686.32 1650.96 9701.3 3449.85 6771.74 5153.65 3640.78 5382.91 9913.61 9667.61 3442.66 3644.12 9434.6 10203.45 1472.88 1866.88 10772.24 5782.87 3412.9 4198.4 9900.37 2267.32 3042.42 12607.34 14827.06 3855.82 4361.55 12131.29 12512.51 9619.25 3743.59 3598.92 3480.16 7516.26 7572.4 7624.27 7249.11 7568.1 7521.32 7644.16 7793.37 7572.56 Lys-Ser 5331.28 8922.05 5267.56 1391.21 6080.14 516.46 4867.23 2872.61 9602.07 8175.24 3492.25 4075.94 3293.02 3052.12 8841.64 3419.47 2898.63 7681.58 7638.47 8555.95 4412.41 3838.7 2595.13 2611.09 7222.56 9530.45 3359.49 3546.24 6659.62 1458.17 720.45 6505.6 6809.19 2431.24 4339.47 5112.36 7502 4384.98 1144.19 2530.35 16030.56 10786.55 1103.36 2726.06 9206.4 2191.95 2039.33 7634.81 3933.54 8012.49 6377.43 7830.89 3930.75 3250.37 902.88 3042.99 2208.93 2309.18 1346.88 8279.63 594.64 2611.57 4640.57 2587.16 1366.71 3320.54 4123.48 3246.32 3293.97 932.08 9063.21 1928.16 2030.14 4271.71 4253.99 3959.48 2868.9 3851.41 3051.32 4106.41 4083.65 4022.91 3712.8 3974.45 Acyclovir 7679.51 7125.14 4723.47 6090.43 1695.33 7580.94 6181.89 4296.11 13683.13 3458.83 5739.36 5398.32 1800.68 9205.27 8762.98 7849.72 2409.47 4667.79 6754.67 5370.45 5320.11 7146.13 3856.01 2269.22 2555.41 9444.53 4190.31 3291.03 6674 1441.36 2645.71 9664.73 6567.9 4458.73 6781.66 6869.29 5933.14 2430.86 1763.14 12279.85 2761.53 4664.31 12433.53 1647.09 6822.61 3459.48 10463.66 5244.15 2318.47 1762.55 3677.41 5464.19 6895.14 6181.2 4689.28 6193.31 8961.79 8193.05 5852.96 1607.86 7423.41 1613.32 7644.68 13120.06 5445.6 11265.03 6712.83 4809.7 1036.37 8808.74 6909.43 4141.23 11544.03 9083.63 4663.47 5532.7 5125.79 5539.79 5530.92 5493.81 5245.13 5529.64 4740.62 5177.42 Acebutolol hydrochloride 4811.61 6096.97 2157.48 7714.69 7187.82 4913.43 10018.47 10245.31 5284.51 5634.88 2160.76 4010.73 7505.16 3667.85 6046.35 1096.47 973.94 2856.61 8298.02 4299.41 3994.7 9232.73 975.89 4159.43 3362.87 12225.99 804.04 1451.73 5782.25 820.01 4371.26 2986.76 9789.84 4683.12 1779.76 5009.59 2171.83 4705.61 4621.32 5920.5 4566.73 6212.56 3627.91 2810.68 2946.61 5329.45 2738.36 2373.05 1480.29 10087.29 5451.4 10382.2 5006.84 21071.84 7434.31 6062.79 3770.68 2050.32 10837.13 2180.62 4601.73 4585.27 3738.61 1490.28 2800.56 4417.01 5563.53 4039.04 1026.06 9378.69 11229.93 6050.78 3033.17 3443.22 1864.03 6848.74 4765.98 7302.18 6575.4 6582.81 7179.37 7122.19 7142.79 7121.37 5-Methyluridine 20817.87 26467.48 21535.15 21284.75 19483.17 18793.22 13740.05 6625.18 23735 22533.36 8782.11 10545.8 12019.37 20062.63 17000.3 23817.3 20118.43 18658.24 13002.43 16479.91 13348.65 15278.75 11117.45 21003.3 28945.98 21444.23 18051.88 23731.56 19181.28 18995.57 21248.3 24298.3 12061.75 20000.66 22713.8 15849.79 18583.81 22824.72 19383.05 20595.25 21860.58 22830.95 19713.79 16435.08 25039.44 21493.17 17250.66 18891.38 16549.06 16184.84 20810.84 19894.48 19654.97 17435.28 15189.24 18223.02 20995.5 16972.26 25876.69 20143.77 14230.83 23529.17 13369.26 20136.44 14918.93 20631.62 17327.93 23428.43 20799.98 18087.52 19625.07 15136.32 18286.49 13949.07 16225.02 10231.29 7200.13 7865.66 6898.28 9764.91 4399.89 10001.62 13251.94 11948.75 7919.01 9473.86 8656.12 16671.11 11340.95 10602.44 12593.79 6766.03 3433.53 21383.85 15745.08 14075.82 9257.0 16076.28 10305.5 12387.28 23198.02 23590.48 23607.85 23170.03 22602.08 22292.37 23307.37 23587.57 23620.59 Marimastat 652.17 462.43 452.43 893 1179.37 854.24 1889.62 350.88 823.22 1063.12 406.17 756.16 3742.2 9568.73 5796.33 1310.44 880.02 12845.65 988.54 3588.35 2667.26 1037.2 1241.73 365.89 3206.48 3208.52 1383.61 355.13 4347.4 2267.16 16174.34 19655.47 460.46 2011.26 1961.43 2431.03 478.34 664.4 1694.97 766.94 10403.27 4962.09 1325.88 1686.18 10920.03 3090.51 3032.92 1590.15 3047.92 14032.95 3652.4 5923.43 1009.94 2662.2 3858.61 7751.83 714.34 1332.77 491.67 980.3 427.82 401.39 3545.27 768.69 2024.06 5511.67 10435.17 1705.37 2014.35 2589.7 577.2 680.29 2352.24 2200.1 2182.02 3379.07 3375.89 3391.58 3239.25 3267.33 3244 3373.72 3243.34 3378.07 Telmisartan 4726.79 4867.49 9933.64 6887.88 2907.02 881.12 1499.41 6329.19 2102.79 5829.57 1373.11 6085.59 1342.24 6384.57 2572.14 1715.09 3071.86 599.6 4625.91 1393.64 3545.33 16509.2 7480.54 9071.35 7157.17 2837.02 8430.34 11023.89 2899.35 3672.51 798.64 9414.46 912.16 8642.28 9196.25 5264.18 1643.36 2580.02 10215.19 8234.1 4437.92 5783.59 8910.42 6252.92 2970.81 5422.27 3244.3 5644.99 4842.27 4848.64 3717.71 5230.92 6770.89 8621.51 1937.51 3852.26 6303.34 6972.13 3720.36 4595.98 6149.87 9643.29 3568.86 9581.37 2392.36 4065.74 3099.35 9306.08 10315.51 1767.99 3429.87 6514.89 9315.18 2830.79 6485.78 5594.15 4721.11 4800.46 5018.53 3644.71 5006.54 4628.99 4835 5031.73 Urea 904.48 1282.52 1640.08 1244.3 4275.54 1174.97 2292.34 945.24 1704.41 1424.65 1347.62 1962.6 2122.94 2210.41 1881.15 2120.91 1687.74 1857.41 2670.27 1690.14 3687.61 2104.35 714.89 1455.25 2041.54 1375.78 814.24 2562 2627.41 1300.73 991.16 3714.81 1261.36 3146.5 679.58 1717.58 720.78 1078.09 2008.37 1951.66 889.39 584.11 2164.73 2469.28 1105.95 2336.21 1357.64 2511.25 1856.25 2528.22 1111.68 1376.38 1077.79 1896.53 1016.11 1356.53 1150.54 535.72 1194.45 827.97 1790.19 2000.29 1735.75 1648.42 1438.57 764.82 1129.92 1595.73 4141.05 1120.2 857.09 1683.68 1635.85 1988.41 673.64 1232.25 1456.57 1403.69 1375.72 1456.06 1644.42 1345.64 1371.89 1374.28 2-Amino-4-methylphenol 6877.85 9679.73 3673.61 3639.13 6119.7 483.81 6392.31 9173.46 4403.74 10023.81 5413.13 7153.51 8210.16 6661.17 9516.28 7063.25 4610.41 7705.9 9973.69 2433.07 2726.55 2503.49 4845.44 4851.69 9610.52 5417.31 8391.67 6498.6 10733.33 2130.93 3492.67 8542.61 8263.43 3959.54 3555.82 9361.06 6054.16 5720.53 4643.91 7062.45 2913.95 7348.47 5141.74 4530.74 5856.05 4361.7 6535.64 11451.08 6301.28 9028.39 4971.57 6437.27 4310.44 4640.34 5268.32 8807.62 4095.37 4362.73 7131.6 4077.05 3357.75 4577.84 5613.84 3678.38 5555.95 8379.92 4120.22 8072.2 7818.94 6792.68 6717.39 7498.55 4863.55 5388.22 5360.39 6227.82 6174.25 6239.55 6174.05 6192.89 6184.86 6249.66 6174.14 6171.23 Pregnenolone 5777.54 7019.39 837.56 296.83 11239.73 7885.85 2772.8 9043.17 6439.98 1403.88 416.56 9209.46 572.08 521.32 11444.06 1110.28 2192.09 5693.77 1769.71 735.48 1138.25 672.16 659.31 524.84 784.31 898.99 397.69 283.04 10449.39 1977.78 820.13 1539.68 16997.94 931.96 569.59 9402.91 7950.79 9389.47 1340.5 401.75 8199.51 10178.83 925.08 735.12 14851.68 1250.75 9089.87 7445.09 2016.69 699.51 9105.79 6913.23 821.38 265.25 10964.26 11467.15 672.57 737.26 12762.92 8554.29 818.82 726.05 12385.9 951.64 628.46 15223.2 11617.22 960.06 518.41 12087.24 7596.99 665.11 816.94 376.59 833.29 5557.98 5728.6 5653.88 5552.77 5653.51 5563.06 5625.74 5377 5656.84 Digoxigenin 8738.05 2703.2 8032.08 9017.49 9708.7 15751.24 16807.7 19973.42 9979.11 7472.11 15364.56 7307.04 7326.03 8677.95 9331 8589.46 12113.23 9133.46 12493.7 8121.49 13299.97 1460.51 6611.26 7109.88 2572.83 10205.05 8575.65 10186.03 1057.23 7666.72 8881.76 10085.3 7620.29 10456.75 7016.69 8803.14 9631.6 6501.65 9630.46 11574.51 4688.5 11393.98 8086.69 8872.19 8251.63 8341.66 7226.22 6886.46 6218.29 12043.19 8306.09 7848.23 7905.2 9707.19 10665.13 7771.48 7250.3 8422.8 9226.27 9120.83 8932.04 8067.3 7555.26 9228.59 7952.19 7461.09 8801.6 7101.66 10677.46 12316.56 11456.27 7817.61 9759.19 9774.42 12829.24 6978.61 7225.81 7116.84 7111.06 7076.25 7460.13 7322.27 7252.45 7320.72 2-Hydroxy-4-(methylthio)butyric acid 14966.81 13774.51 28239.03 19175.32 18616.05 4872.4 32606.49 28917.58 27357.64 17764.12 17871.07 19807.12 16759.25 24887.33 21802.04 20689.78 14945.41 22133.72 21140.11 23903.09 16613.13 7746.08 21031.37 21486.56 22555.98 12652.46 16657.34 20602.82 14627.08 2246.21 14150.68 3777.68 13708.68 24571.46 23040.63 17303.44 20668.44 9314.58 24782.87 25198.74 1314.62 7802.55 30434 18527.34 8864.38 27132.56 19745.17 17060.74 22598.01 11661.43 25109.05 23098.47 23328.66 31051.88 17525.03 13524.59 26827.97 25103.52 12342.16 11355.83 22492.21 21674.04 30135.11 32510.24 23789.56 25832.12 12193.58 19058.61 19360.28 25836.03 25476 14894.65 27246.67 35791.78 30364.94 23490.64 23686.53 23246.2 23076.3 22555.65 23375.59 23088.01 23440.26 23074.2 Gentian violet 23329.19 7129.33 9379.96 5987.18 8623.73 798.25 55258.18 32818.43 23434.79 12192.5 13678.82 10332.77 10322.78 11369.03 6218.79 68769.64 9631.76 8530.57 17771.58 831.26 18513.5 2835.71 4442.84 14727.7 26678.13 4902.25 5570.34 11258.77 10793.95 6818.92 5592.3 32938.23 4421.33 7221.79 7517.37 55303.5 3544.92 2874.68 2864.5 1042.19 23745.67 3992.12 3537.88 960.53 4761.65 7382.85 12694.33 5630.38 8040.84 61292.93 1878.19 2018.4 30527.59 47994.58 2403.95 2771.33 1547.16 1381.08 1603.08 2008.41 2489.67 879.19 3753.25 2787.85 10755.79 5467 3521.78 4868.42 39279.82 32211.8 8909.24 19822.45 7088.38 3164.6 2779.44 5308.6 6738.52 5344.21 4241.01 4055.21 3561.47 4735.49 3668.88 4401.12 3890.55 3526.48 3900.28 2199.16 4927.66 3319.86 3694.55 2971.55 3362.81 3421.92 3473.4 5079.6 4353.98 2870.48 3233.41 4164.88 11441.78 7685.74 11459.13 10190.25 12000.91 10269.31 12863.11 12122.51 14166.04 Phe-Glu 7122.66 21434.76 6791.18 10700.13 5145.8 3225.53 20302.96 21829.07 19253.19 26883.76 11078.67 6918.94 3840.59 12836.98 12909.75 15838.33 12397 15997.05 21073.67 20647.75 18956.84 1940.89 14840.75 10217.78 6562.74 34268.3 10186.33 5643.91 12463.73 9231.17 28661.72 21956.6 12248.72 16193.26 9371.69 5888.26 10349.82 5459.73 11792.04 13018.71 11588.01 10036.1 14077.85 11330.51 29836.07 8146.3 21265.03 4278.24 8530.62 10045.24 14681.94 28073.58 5560.79 5561.59 9790.33 14632.54 5178.64 2350.43 8940.01 1564.35 8775.37 4439.83 4179.94 9167.29 13786.6 9433.26 9140.04 6982.85 7551.85 14175.96 9587.04 26896.73 15075.97 9606.82 17195.79 13276.94 12477.27 13285.55 12205.78 12475.85 13296.06 10456.02 13447.16 13521.98 Voriconazole 2220.35 4701.25 4030.85 1203.44 2061.66 3404.97 5252.95 8360.14 10356.07 5738.32 4522.32 5696.39 794.61 3355.53 8226.58 4019.71 3846.57 7092.7 8801.28 13850.51 7188.04 3591.29 1748.15 3515.23 8150.94 7671.3 2184.9 12684.6 8147.38 2325.62 8258.69 6049.29 2572.08 6796.08 6286.58 6419.97 10701.08 10021.95 2978.95 2739.47 9945.24 6394.92 4680.63 5094.17 17685.93 6876.96 9288.56 10579.81 7646.87 10680.78 6544.6 10520.5 5930.07 9782.91 7196.83 8985.43 8597.26 8367.01 8478.74 4808.98 4896.69 4379.24 7817.89 3342.51 3160.04 13483.55 8408.11 4050.6 5984.22 6755.13 15201.73 5920.99 2278.86 4935.63 11709.32 8093.27 9376.21 8099.77 8099.48 8711.49 8278.04 8221.45 8094.67 9044.26 Quinestrol 12592.5 18997.49 7877.42 1193.06 17854.47 6829.41 2416.74 31570.36 16558.79 3410.9 7845.81 14616.44 15939.29 14946.41 14684.2 10145.67 8507.41 19583.22 34426.74 11260.29 12967.67 6070.65 12635.26 11586.48 18957.34 19240.11 15230.43 5819.9 24889.16 2270.28 6859.5 18983.42 18815.04 20031.41 11831.94 43479.62 13587.93 7466.15 2952.83 1906.09 2363.05 18526.33 10595.18 7574.81 36993.06 4001.72 16797.75 21267.67 24378.14 19601.74 27803.22 21792.77 37846.98 16101.36 15393.27 15113.57 7867.25 1433.58 14278.14 8217.08 29619.54 19586.91 20017.49 16082.62 8662.42 16342.68 6657.64 1852.84 7893.54 35308.1 15509.58 9767.99 12741.48 6186.57 13433.56 12301.78 12027.75 11998.33 11825.51 4489.66 11185.9 10987.43 11277.32 12450.66 Indapamide 10581.79 3182.62 869.8 1853.17 9563.23 873.25 2060.65 16581.29 11335.19 5431.1 4196.51 11100.65 2810.91 6947 5199.35 7578.22 3889.13 10223.76 5930.24 11733.12 9302.1 2545.81 2541 2144.91 16267.42 5835.88 5235.75 12617.67 18504.36 16524.5 17710.72 7327.11 1448.74 1368.78 2333.89 20216.33 11827.06 3675.89 5053.83 8168.19 17867.5 13433.12 3251.17 3778.98 14684.69 3869.67 20411.11 6660.12 13030.86 14745.19 7426.64 3334.19 2535.51 5057.3 8031.6 798.96 2089.96 847.24 6083.79 2375.21 1945.17 417.04 1681.47 4163.59 7579 9731.29 7679.56 9903.18 14796.04 8887.36 7327.98 1738.57 11224.02 4141.35 5297.15 8875.18 9170.71 9110.91 9109.5 9352.27 9091.99 9133.78 9170.23 9124.13 Usnic acid 9905.4 3393.27 1918.93 2555.82 5206.35 1943.81 2205.87 10004.15 8920.25 5169.07 722.67 3080.92 577.36 2016.67 4008.02 2592.43 1868.51 4312.44 1254.68 8974.65 4419.7 2053.04 590.74 2493.07 2503.18 6319.98 3899.59 6518.96 6480.07 2289.73 6383.6 2522.22 2641.15 2611.67 1172.86 3783.94 8074.51 2870.45 709.87 1460.16 5214 3076.61 1867.3 3387.39 2996.77 635.57 9767.92 7204.19 3782.36 6968.94 2089.63 3417.72 2081.55 2417.41 2767.01 2639.54 1513.3 1382.87 2715.08 1376.81 2177.96 2735.27 5304.9 3332.05 2798.2 4460.45 6436.92 2633.43 4735.22 8158.45 10050.05 5353.17 8046.65 1649.5 3565.17 7046.05 4111.56 4032.5 3843.59 13573.28 4979.94 7765.59 1159.21 12054.08 753.4 6896.92 897.24 2629.69 2056.59 1406.35 1620.71 13626.46 16610.78 13943.41 12952.48 5147.04 9881.25 5700.51 4826.34 4935.02 4872.46 5364.05 5088.08 4831.92 5330.77 4645.45 4607.32 Diethyl hydrogen phosphate 74845.7 71618.8 73860.54 72015.53 81386.81 52943.86 18959.42 29000.09 88363.93 79510.42 10204.78 62462.34 73276.18 73902.86 67592.44 62966.17 65785.8 52819.36 75790.62 60445.47 21024.7 52448.08 63794.9 78399.6 81512.17 84675.4 81228.79 81906.78 84385.34 63080.39 60287.01 74283.02 59955.11 82811.02 70895.78 80268.09 69144.83 41484.24 65711.37 61067.41 56899.5 62385.66 71708.5 62278.22 74141.37 51628.91 73825.38 68141.78 47076.52 55362.45 54605.93 59622.86 61702.85 47629.19 17550.1 64539.29 64042.96 55622.36 60134.8 42132.97 57547.82 59179.33 61664.58 66551.5 67560.03 63877.22 56319.18 80363.61 67417.34 73600.74 62004.47 58908.96 41755.25 49762.57 63187.24 6588.13 4918.13 8151.55 8226.88 9297.94 7819.83 7002.56 10185.57 6200.08 5254.34 3853.99 4622.84 6708.5 7755.71 9065.39 4201.48 10071.45 8105.56 8225.5 6393.98 8793.61 6693.96 6621.64 6503.61 8504.78 62510.66 62130.64 62509.83 62409.52 62510.66 62155.57 62150.24 62160.61 62465.67 Enoxacin 74936.19 31945.87 9712.23 12219.75 45331.52 24971.67 25360.84 42930.27 63331.08 31551.82 15092.94 26315.74 38170.43 26533.74 46739.22 33821.8 20287.58 43450.58 38122.5 51962.63 44864.99 24811.45 21362.51 35077.77 55671.25 44585.93 28925.47 42229.05 24072.97 50834.25 54596.98 29545.17 29894.11 21841.91 18946.61 41027.46 8082.85 20625.61 24835.63 24015.83 53413.42 72694.44 32394.91 16126.09 15705.63 16424.62 13956.46 44482.01 42545.97 50770.68 49047.33 41562.68 15340.77 17373.26 38167.58 31016.52 9393.51 11544.99 39748 5813.31 33389.99 15336.37 32576.85 16969.65 21807.52 51693.3 56982.45 27600.18 31705.07 44315.15 74796.22 32094.83 32869.27 21026.66 15398.94 25209.9 26684.7 26786.09 25158.96 26940.13 23723.23 23994.25 26285.01 25717.47 Deoxycholic acid glycine conjugate 31367.17 14511.47 40520.67 11025.22 32494.07 5424.21 15402.75 18766.6 8822.12 11272.48 15308.49 3125.08 16391.72 21191.46 11230.93 19772.95 76170.78 11022.53 11006.31 4248.84 9056.05 5200.99 25569.52 18672.03 29450.56 9647.96 17893.48 9483.91 19804.72 6916.1 11549.81 3588.65 13772.61 18670.41 14773.41 18972.99 10472.45 13060.1 11830.6 9034.57 8749.71 57108.22 11428.64 8257.02 16117.51 30071.41 11510.62 7795.48 22322.87 25385.52 52414.85 19791.72 17568.38 54473.18 58598.45 7496.87 21238.08 11371.79 26464.83 11588.17 19690.1 762.85 19329.82 22948.62 8045.08 31857.17 8026.33 14701.37 14512.75 16399.12 7092.69 5094.82 8705.76 26288.42 17705.87 14294.22 15024.69 14304.56 12616.71 15114.79 15100.1 15963.27 13978.35 14031.27 4-Hydroxy-3-methoxycinnamaldehyde 13444.73 22004.73 17117.1 21037.27 16093.74 21987.07 29346.07 24454.5 13092.96 24736.28 19265.88 27612.06 30991.37 30274.8 21224.38 21534.78 19884.01 17214.53 33192.58 11985.74 5724.25 24069.34 24270.11 29487.36 18378.99 12899.19 26170.87 19813.29 33242.14 2859.18 8558.04 27057.15 22610.75 24705.53 24629.54 21366.05 14919.21 18769.63 24967.31 22198.39 7527.17 22735.28 27361.99 19905.8 26559.91 16037.31 17137.89 30377.07 21961.18 20561.37 13232.38 23021.86 23578.83 23052.36 14078.18 23390.49 14646.36 15390.47 15027.07 14854.03 28594.16 29093.78 15019 14874.65 15808.93 21607.23 6215.04 22529.58 18811.47 13766.84 14397.25 24552 13504.13 26545.13 22813.75 20241.71 19923.9 19908.26 19784.8 19829.39 19876.43 19921.31 19785.07 19901.74 Oxtriphylline 3429.87 4897.63 4451.5 4838.14 2908.19 7734.87 2689.23 650.4 4676.46 4099.36 3895.2 5352.16 3630.19 4885.32 3005.73 5862.76 4536.37 4088.98 4669.51 2914.82 3371.64 563.24 3469.23 4965.2 4713.1 4225.6 4343.21 4285.99 4250.33 4828.38 1909.08 5011.34 2894.42 5891.34 4517.13 3046.55 7698.44 4600.67 4687.54 6115.38 7227.13 2915.53 5105.65 4775.78 2669.66 3710.3 4621.51 4099.8 4509.66 3952.75 5167.58 4492.18 4704.57 6351.77 5156.26 5226.02 4400.9 4583.11 5155.2 4430.4 4763.68 5148.8 5051.73 4802.22 3390.73 4778.81 4731.87 4667.03 4630.18 4939.93 3689.61 5183.25 4958.58 4527.78 5891.31 4613.54 4863.24 3467.12 4608.61 4556.41 4431.31 4576.75 4608.78 4464 Imipramine hydrochloride 7755.49 11911.99 16063.6 15753.12 21253.75 3269.05 8613.19 8111.57 14820.3 10646.4 9055.23 17254.11 3258.67 3612.35 16237.2 4839.93 4099.07 11886.84 3546.97 3964.25 9050.5 2084.44 4386.52 7890.46 17477.13 4696.07 3524.46 6161.28 16109.4 2187.66 1553.99 4085.78 5473.76 9833.81 9026.54 4177.24 13977.92 1956.29 6982.01 16249.04 2262.02 8451.02 36717.47 6031.94 9608 5567.37 7902.83 2091.46 8353.19 3231.53 23284.93 13498.98 10228.31 11489.4 10156.36 14485.72 6603.84 4156.56 8736.52 1945.35 5518.27 963.41 11942.75 10419.3 14212.09 18816.38 24041.68 2901.47 2277.13 7008.32 7622.81 1659.66 4710.65 12743.61 10215.76 9558.75 9767.12 10172.31 9615.17 9551.46 9579.41 9550.9 9435.77 9757 Indole-3-carboxylic acid 1114.58 8149.81 40466.07 12284.45 7090.59 14624.78 7042.12 1939.92 791.28 21398.48 2673.56 2998.83 18389.21 5799.54 2861.32 3069.04 8832.65 1677 3799.62 5442.63 472.57 9876.95 14687.06 7913.33 1342.06 4138.7 10339.58 3477.55 4550.34 3850.5 1268.13 1745.66 2134.77 56420 17224.29 2212.27 868.73 6862.09 5111.1 4376.08 1664.95 2476.92 6587.18 5596.46 2299.77 7371.9 2366.37 2045.11 6569.71 2907.24 2201.3 54301.72 8525.75 9227.34 4454.65 12277.1 30098.19 31866.45 690.68 907.6 13676.31 58437.62 4020.56 5540.02 1461.74 5416.51 3852.98 9319.24 3380.26 1725.94 2246.03 34823.2 689.57 15693.97 5601.86 10370.48 10167.94 10214.55 10208.32 10157.59 10118.75 10127.49 10211.87 10176.72 4-(2-Hydroxyethyl)-1-piperazine ethanesulfonic acid 9225.01 8855.26 5227.42 2795.45 1479.82 9887.09 5240.36 12406.73 12262.11 10939.91 7867.45 4092.98 8519.2 10054.59 15525.44 8588.54 4372.06 14820.67 20311.37 29662.86 13310.01 188407.25 6652.73 9474.44 11828.48 11818.79 4209.68 7938.18 13942.35 7888.7 19511 18806.89 11065.55 6586.49 5013.84 4194.27 11812.06 6464.86 6517.83 6397.95 18143.95 14310.06 9560.04 8695.17 15486.07 3209.74 24659.19 16814.19 12415.74 17909.99 10513.79 9921.58 7887.48 4929.88 8640.89 11013.14 3830.01 4508.32 12387.59 2537.57 7105.09 14238.5 7783.98 9603.31 9109.53 11119.86 14162.47 9787.78 13432.86 4276.81 13514.53 9462.45 10009.58 6987.52 6952.77 14667.77 14496.09 14501.18 14667.84 14817.64 14489.2 14649.72 14675.5 14489.08 Benzethonium chloride 2508.68 3500.69 1694.93 722.36 13992.8 12155.57 7897.52 2147.77 3977.3 1174.86 1887.25 724.24 8313.9 11251.77 2209.86 3407.27 1939.83 907.06 3319.12 3032.2 2986.24 3214.49 909.24 1084.3 3004.9 8284.25 3395.5 2238.29 2736.63 4342.81 2328.96 1047.55 3210.75 4689.82 7988.33 4781.94 2902.67 2528.55 5754.07 2934.02 2835.28 2591.96 2474.59 1406.52 2589.17 4576.65 3657.78 2982.31 452.97 4035.17 3839.33 2900.81 13666.68 6495.87 1262.31 3604.53 10456.67 3260.74 2229.34 3148 5434.26 9370.48 2616.15 2581.9 2993.41 2816.35 4016.2 4052.05 6586.74 2487.95 3138.05 7904.16 3550.97 2092.86 5779.34 7459.87 8980.53 7272.84 6834.25 7263.53 8380.1 7448.81 8417.83 7052.96 7102.37 6154.75 6083.64 6451.82 6736.0 6309.38 8194.6 7288.8 7021.23 7677.76 7087.48 6775.39 7968.9 6718.33 7022.8 6759.28 3524.32 3237.86 3517.8 3944.99 3399.07 3042.61 2878.74 3642.56 2774.16 Azacitidine 2547.14 3913.79 12226.01 20970.97 1645.53 77598.36 9218.92 3381.27 3726.28 2839.34 1585.58 1198.06 2985.88 1602.16 4261.33 2649.26 2804.55 2670.52 3612.24 4168.47 2634.47 49504.46 2081.36 1941.95 2515.66 2756.1 2137.7 1998.67 4199.76 1279.89 3039.19 2530.52 2737.28 29578.25 2782.26 2717.26 2548.74 79013.72 1968.23 1663.13 4076.21 3477.83 2399.61 1701.58 4394.17 2425.51 4220.33 6425.08 2485.49 3713.86 1618.26 6121.6 3115.81 3010.9 2158.68 4463.21 33164.72 31916.1 2595.62 54304.3 2337.28 5737.15 3054.87 2435.58 1750.95 2803.88 4497.22 2866.45 1738.76 2936.52 3458.97 3667.14 1694.88 8002.79 1734.51 14049.03 13011.27 12553.91 12688.11 12760.04 12473.54 13225.68 12243.67 12541.68 3-Amino-2-naphthoic acid 58554.15 69034.54 112232.76 143660.65 112843.36 90693.61 343762.5 43441.15 69794.7 63286.32 52303.74 193756.64 78010.49 88211.42 92905.65 88207.77 63977.47 101474.79 151739.35 79869.64 47515.4 46589.55 96839.25 82359.94 90540.78 78955.85 111743.1 100097.38 73480.35 51246.89 79119.63 117409.57 40163.33 144887.47 81006.36 106664.97 78174.65 36022.96 73329.83 71583.26 26633.59 75602.37 57147.43 32827.87 102400.05 335078.87 64699.06 109371.05 109638.49 91439.9 227213.96 74533.75 57549.45 285658.35 75551.36 71915.57 102924.95 50399.14 59106.9 214610.29 57468.85 81296.4 36378.22 88448.33 63705.53 91707.24 68705.86 50903.99 36447.09 59844.97 78244.66 56882.19 41437.28 144677.5 148838.77 37725.91 27488.53 71685.32 128587.24 67743.26 66448.02 77570.65 40130.16 25626.68 46273.34 36547.9 28570.56 57509.54 24710.02 46430.08 22083.69 117340.58 83813.89 41096.84 47879.82 44414.77 47362.53 87356.82 43521.88 39615.06 92056.97 93121.95 91974.37 92055.47 91975.45 91562.89 91573.83 91440.32 91568.23 Hydroxyphenyllactic acid 23379.03 18241.46 39857.57 4696.03 26810.04 19378.63 62767.81 54934.32 29738.74 34402.73 42381.64 24281.67 27406.54 32586.53 37306.75 36099.43 28867.68 29100.29 13345.1 36721.82 30293.21 13780.53 26854.68 38688.54 35966.13 24344.13 31268.45 29228.7 5236.23 8504.59 25575.53 28320.06 20893.3 27020.44 26377.83 20935.32 32192.1 21418.87 18198.11 48423.37 6490.97 18863.99 17610.09 15915.17 21437.79 45590.45 35123.7 25614.45 40626.39 28004.05 37743.25 14591.65 48912.88 56802.97 32226.51 13015.24 42893.88 47366.39 23063.92 22314.83 31378.4 22756.88 43469.41 61264.15 37185.12 30460.14 13501.81 29361.35 8652.86 39292.07 22049.82 16371.82 56010.24 52267.68 33943.71 28449.07 27774 27320.07 27524.6 27783.8 27312.22 27435.95 26349.24 27909.81 Epalrestat 1735.7 1806.81 1043.84 1208.64 2161.16 2944.98 2087.04 1618.72 4133.03 2448.83 1085.92 1830.19 1398.41 2405.25 1540.57 1720.95 987.29 3956.76 2135.13 5118.99 3072.88 1921.8 1090.99 1417.28 2967.26 4099.68 573.72 936.37 3300.93 769.41 6506.54 3426.32 2260.39 1268.1 1020.52 3743.78 2400.47 2200.18 1078.29 528.72 2308.05 2376.81 2070.06 1632.01 4066.93 1339.99 3067.64 2671.28 1354.94 3035.51 877.07 2098.06 1913.57 609.95 916.71 2413.87 934.55 894.99 2585.34 1340.8 942.41 1274.8 1738.28 2148.84 3149.73 2481.13 4173.23 1263.12 1513.56 2382.13 3369.11 1922.35 966.1 1202.49 770.88 1903.58 1892.43 1599 1884.44 1922.86 1980.21 1981.67 1981.98 2097.65 2-(2-(4-Bromophenyl)-6-methylpyrimidin-4-ylamino)ethanol 1168.1 1490.65 2981.95 4778.79 15423.9 13738.81 13508.48 1264.24 1097.76 191.5 176.36 1266.2 2205.16 1475.3 271.03 190.17 1411.96 1175.89 1268.05 1377.46 1490.29 9177.97 1393.77 1768.19 1347.05 180.75 308.29 221.56 2449.07 237.66 219.05 1566.38 1328.07 4410.97 325 1645.74 1431.2 17521.2 316.33 1189.27 286.18 243.14 1434.77 1193.07 1613.43 997.54 1656.17 229.41 183.83 1604.78 578.49 1648.8 1482.93 235.76 258.48 1531.3 7030.52 3536.37 200.06 20788.66 1289.19 1032.37 1504.1 1567.35 213.74 199.97 268.9 275.57 1085.07 1522.97 349.85 507.73 298.11 199.45 1774.68 9023.57 9406.6 9233.05 9318.42 9093.92 9492.36 9063.25 9393.73 8989.51 9522.86 9398.23 9122.79 9456.14 8626.33 9366.66 7988.54 9039.49 8964.99 9160.16 9218.13 9079.51 8851.33 8455.82 8769.92 8171.6 3915.86 4050.7 4190.71 4047.63 3972.93 3913.58 3983.15 4002.59 4052.08 Camostat mesylate 56289.61 18505.4 431.82 1682.3 46970.55 15851.6 12531.71 68795.9 67082.84 2284.15 14930.59 21632.05 1670.66 935.64 51597.34 32593.83 19406.75 49673.63 4834.96 88928.35 51015.03 6123.7 1125.03 2407.38 60412.6 30579.04 12503.47 27504.51 67452.89 34029.72 70748.57 26641.6 25798.14 10325.05 11277.6 53392.55 56991.02 14119.09 11730.75 25919.3 54034.88 51455.58 14250.53 10832.91 48516.18 14068.2 75689.12 11902.79 29076.39 49143.54 31778.8 19399.72 1017.48 8850.81 37152.82 16949.82 6426.47 2016.02 53210.49 1407.61 11484.41 11859.09 24923.37 16892.83 31385.32 39101.03 41673.08 1149.31 31521.69 57426.42 57619.36 22249.52 46431.11 1431.37 1486.31 35566.73 34841.03 35224.94 34255.3 34968.8 34820.77 34812.39 35203.39 35210.18 Cortisone 782.29 26650.58 547.7 1154.86 5080.3 43212.8 29832 46777.79 61786.11 49953.17 2561.82 80562.02 65702.71 41845.08 42965.59 81355.41 15159.28 929.93 2364.13 11047.24 76310.14 2683.47 24975.83 28295.35 65345.61 54658.23 29295.84 32644.88 85586.73 37200.29 3573.86 175503.56 27321.42 46708.19 27171.65 46792.64 42550.94 9561.35 16835.26 15112.32 49514.89 110126.31 12656.34 27937.34 86658.21 49957.39 39276.51 28372.66 88003.95 97729.42 65618.24 45131.41 29692.36 22127.17 64529.59 17169.98 5835.51 6010.66 69611.38 42124.27 11956.31 29889.08 17659.27 23217.49 14643.64 76336.17 40680.14 9628.19 28618.21 37573.57 21473.7 44809.16 18061.19 13847.59 27882.31 51408.21 52332.76 45681.54 50600.73 50815.09 51303.53 52363.81 53230.68 50756.52 Umeclidinium bromide 8463.94 8602.92 640.11 3024.55 13475.09 12440.66 16273.17 5491.31 10168.45 11982.71 1996.29 18475.63 4074.86 8519.96 7392.93 3863.1 795.03 6512.35 3644.08 12577.13 5744.48 3771.63 6987.35 6464.1 2288.51 13082.06 12368.52 7110.46 16569.56 13700.62 7910.62 9570.74 1282.25 2666.5 2609.94 14018.03 3607.39 8534.68 9237.33 4313.65 16533.48 12004.32 1373.86 1820.87 8946.1 3006.54 5650.45 9968.42 3065.12 4403.91 6101.69 6327.89 5280.57 7016.65 8469.51 7406.6 2396.19 4681.56 1882.79 5049.46 3443.69 2010.08 2623.43 4200.52 3910.82 3276.79 8937.29 3949.43 2673.77 7079.89 2989.85 11049.59 4808.15 4314.58 9407.69 4984.53 6880.27 6097.19 6999.73 6879.56 6428.34 7578.61 6362.72 6434.71 Bexarotene 7676.14 9477.13 9282.13 7868.33 7064.3 4843.02 11013.8 13082.7 8359.34 8376.78 8600.62 5408.86 5544.05 9331.99 6410.82 6355.82 7885.95 3274.41 6907.94 5688.06 8940.08 7146.3 5867.68 7508.86 9147.62 8068.54 7433 7107.49 8190.58 6074.88 10885.59 8741.77 6045.76 7327.22 6703.86 7583.98 8528.29 6336.04 7419.76 5713.2 8235.02 7236.31 6507.26 5447.27 7434.24 8230.97 7331.39 6670.03 2599.37 6585.04 9213.88 7928.75 8498.86 8538.13 10225.36 7581.51 6187.66 7255.4 8191.95 6011.11 6786.53 6768.79 7033.43 7794.02 6957.49 8157.57 7216.4 8292.37 7353.67 7862.36 7687.96 8127.63 6294.56 1411.72 6399.45 7061.89 7212.01 7210.53 7071.64 7126.89 6922.14 7208.16 7387.74 7155.94 Albendazole 7133.41 6968.59 1686.43 3685.13 7590.7 7734.42 4874.9 10045.84 12478.3 5711.36 4771.07 4764.54 609.04 3959.24 8516.97 6399.95 3880.86 8337.71 8041.02 14728.3 11555.3 4584.5 2779.26 3922.58 9740.42 7007.29 4818.46 5904.85 9838.58 4447.82 9155.34 6190.7 6419.37 1995.12 3327.87 6739.59 8949.93 6532.33 4672.53 5928.73 8911.13 9228.17 4551.26 3580.29 9777.93 3907.77 11416.19 7047.55 4368.27 8498.76 5336.25 5658.73 4164.76 5048 7250.48 5245.25 2373.12 3075.23 7984.26 3621.32 2958.57 2689.9 6019.34 4722.06 5671.89 6252.38 9704.35 4775.55 5633.68 8515.47 9362.62 5622.16 10217.35 4064.33 4795.84 7102.55 7863.42 7160.85 7279.65 7090.08 7274.59 7287.6 6803.73 7225.58 Ticagrelor 496.92 5369.09 437.38 3824.53 8804.67 17372.46 12166.38 1705.46 1067.78 11597.65 1812.27 748.32 469.64 684.21 2534.18 750.29 7925.98 3415.99 15393.51 324.21 359.95 15630.07 1264.41 401.85 505.74 47921.28 17578.2 3733.59 2616.97 454.24 1736.36 7252.01 1163.05 2410.65 1741.38 12332.27 1407.18 7619.88 1147.95 1223.18 7772.5 4266.51 291.23 581.14 2263.24 325.43 1392.7 4824.57 370 407.89 324.31 1779.73 1343.49 1838.8 1661.43 415.48 2308.79 1025.97 3663.14 14507.03 1415.21 1114.47 2321.34 1786.72 720.2 346.99 1263.73 7481.81 1756.99 3627.37 2685.33 1141.73 1357.48 1224.73 4804.48 2548.54 3002.68 2728.24 3055.92 2939.37 2753.84 2716.79 3123.88 2539.7 4-Hydroxy-2-methylquinoline 2962 5596.49 5819.08 4423.8 4478.26 6278.94 5718.12 4573.92 3256.94 5409.29 4437.9 5926.76 6895.18 6069.99 6140.14 4640.3 4417.73 4143.14 7834.18 2011.24 1761.23 7782.57 5047.68 6554.39 3497.91 2968.93 7875.23 4117.73 7172.26 899.45 2593.8 6694.72 5846.6 4838.37 5356.68 4816.51 3389.16 4436.46 5596.79 4643.38 1245.56 4243.46 7203.32 4669.81 5139.47 4212.04 5194.84 7025.7 6203.08 5056.26 4355.89 5273.6 5488.39 4911.78 3250.22 5191.5 3268.27 3508.31 3721.16 3497.46 6352.8 6818.86 3447.33 3260.56 4052.02 5528.19 1137.24 5004.5 4121.53 3355.95 3174.58 5698.57 3561.91 6064.8 5024.94 4561.97 4562.58 4640.86 4562.34 4562.7 4640.95 4566.05 4601.57 4574.03 Triamcinolone 91157.56 172885.13 94566.51 106311.85 6262.81 134331.64 20923.94 89968.13 121623.67 89888.72 90977.5 111320.23 121119.43 109734.87 112502.54 97491.58 106260.31 165303.03 124310.29 201359.58 96079.17 67177.15 82935.74 130255.11 88235.62 138728.6 68049.52 104459.09 125426.1 157993.16 198748.21 242768.43 60029.08 118770.94 111627.27 114892.17 81515.76 108713.5 83556.54 102817.97 109307.38 96358.12 112688.56 123725.69 201821.26 93072.3 109723.18 121592.66 146448.27 267692.08 109426.38 177747.79 88697.78 147519.18 89465.92 110932.89 95544.02 107893.58 66727.4 83052.85 69668.05 62478.29 83394.66 85371.09 94454.09 133968.75 206952.02 111433.38 117127.94 79240.72 87847.87 90096.71 96441.1 130049.38 104578.65 120395.57 119844.01 118434.76 120372.5 119838.25 119838.63 122276.08 120400.29 120355.41 Meropenem 5201.6 1636.24 728.52 454.47 3313.05 1411 851.27 5617.55 7721 1167.28 979.25 1398.33 1275.02 1039.17 6480.14 430.66 548.97 4293.03 2076.82 12094.12 3532.94 2312.76 498.49 510.62 7331.3 1487.01 436.37 675.71 1831.66 1340.08 5421.9 1457.44 3966 752.72 727.33 2802.59 5318.77 456.6 762.67 458.52 1136.94 5705.47 636.14 888.14 4728.65 645.77 4924.32 1697.69 1864.42 890.78 526.81 2152.84 695.44 326.23 3310.43 431.12 345.3 756.11 6942.57 1275.69 382.22 607.38 3285.01 566.84 1414.34 1417.9 3657.41 624.64 1451.35 8170.62 8226.79 1221.91 1502.49 875.16 1473.93 64278.54 62024.76 53134.82 68827.58 73887.47 65989.61 54057.41 67002.17 60118.04 52914.48 89701.44 50976.46 59141.66 54130.65 55786.46 72535.08 63723.4 48247.47 76233.4 81118.26 56241.14 82366.66 93549.13 84568.05 95309.99 2543.54 2580.08 2503.35 2196.64 2544.59 2504.66 1314.74 2221.78 2295.46 Lansoprazole 53238.74 18556.38 30322.31 24822.84 2023.1 849.63 13356.59 16869.73 56632.11 12809.69 27060.8 3424.32 1524.52 21743.39 29994.49 50698.68 30885.4 926.5 2678.36 2147.01 2153.51 844.51 689.96 24633.77 29152.61 53213.44 47607.93 24563.25 15242.1 12651.21 14457.29 16212.86 1208.94 7686.66 22040.53 20433.21 53047.2 8817.27 21565.76 74671.26 10969.78 12516.77 24494.09 30171.44 21913.14 15920.49 15933.03 2937.28 8888.78 32395.77 20954.74 42954.5 18925.29 38563.96 35859.94 37961.42 44854.53 27409.39 2515.94 9289.89 18280.07 10467.14 45272.18 83820.61 28489.26 41150.1 29279.54 28439.28 55990.73 42553.54 37947.74 45964.97 50752.36 40314.31 46437.39 19507.86 23658.32 17604.46 18205 17984.95 17484.3 16747.57 5745.85 19371.73 Tyrphostin B42 5019.92 7838.21 6142.3 7699.4 2453.54 5960.59 2822.99 6720.57 8882.26 9440.59 5668.86 6269.84 2827.07 6215.78 4585.29 4322.15 7745.29 5369.5 10374.93 4723.94 6578.77 6097.46 5505.2 2966.82 6937.09 4660.97 7957.25 4346.83 5012.3 9664.57 4081.86 7581.56 5900.3 7356.2 7605.08 5051.59 9624.55 8362.98 5345.49 9577.93 3630.27 6781.12 5752.13 9215.49 4341.27 6857.33 6435.29 5964.55 7590.12 6590.04 8385.05 8100.21 4684.84 6433.92 7262.53 8526.51 6073.77 8978.41 6168.62 4996.38 6407.66 10746.34 4873.55 9119.55 2385.36 9133.93 7579.07 10633.42 8957.23 8303.43 8052.76 6459.02 9523.1 10756.71 8815.83 6918.16 7144.11 6962.02 7164.77 6962.53 7127.27 6981.62 7144.95 7157.84 Salsalate 3590.58 5245.07 4035.19 5079.39 4761.52 4665.29 5701.77 4461.24 4216.24 6149.17 4485.01 4795.92 5882.62 5873.87 5041.81 5016.55 5540.45 4522.91 6204.35 2473.88 2518.23 5785.56 5403.99 5903.97 4264.85 3059.18 5995.44 5225.84 5550.67 1480.47 2821.6 5091.4 5013.96 4760.71 6040.01 4503.04 4257.69 5280.64 5815.7 5269.99 2873.47 5690.78 5749.92 5018.47 3869.69 5460.89 4404.69 5602.76 4737.71 5291.86 3688.78 4762.76 6414.22 5344.09 4017.62 5598.38 3221.57 3966.88 3440.19 3587.25 5560.76 6162.49 3789.86 4231.39 4525.36 4903.29 3239.49 5261.17 4664.99 3328.06 4174.84 5857.63 3923.17 5496.78 5637.21 5450.63 5188.15 5326.84 5282.36 5188.51 5194.88 4776.68 5317.23 5326.46 Azasetron hydrochloride 84528.05 64352.32 23100.23 27346.88 63886.91 50360.55 44182.35 99453.59 105336.09 87711.44 45351.03 69692.83 32785.78 60848.72 83918.47 71029.21 49312.69 78689.31 72834.7 91258.56 86813.26 33842.87 27015.75 46456.41 92031.99 80751.9 71922.01 93988.24 81818.86 114200.24 95631.37 64772.39 67080.88 44531.82 38463.19 90202.62 96773.63 60650.58 67855.46 78578.78 103880.69 79785.57 41704.45 54602.29 79551.59 55347.43 89746.34 74715.78 87479.25 73124.7 76425.08 49639.12 38058.14 51109.79 79547.31 57367.8 18115.99 21708.65 81058.27 38580.71 37244.54 30139.5 62039.45 52280.06 78704.07 82040.21 89971.28 84531.25 95549.14 95004.35 100347.66 78085.09 97504.51 47099.51 67824.37 80796.17 80320.14 80455.15 79956.21 80459.41 79947.18 79450.95 80469.76 80427.34 D-Urobilinogen 218529.56 121964.48 36673.35 35218.53 148805.56 80066.67 30586.8 106455.86 362436.16 296231.85 156094.56 274680.96 105775.47 148523.01 83950.03 66375.65 19728.59 110092.47 114158.47 91359.69 191037.85 64188.61 102120.74 209778.59 131220.26 1425.02 146440.01 89930.51 68046.22 1099.06 106026.18 136976.63 37833.85 384268.64 136856.41 62709.98 141522.89 43281.84 127417.71 60199.88 56793.88 233582.55 99314.96 252762.68 309109.7 140031.35 62231.84 15463.74 279504.54 222257.07 399615.8 279767.64 278997.01 169373.38 225274.75 118719.12 22944.6 103307.84 152100.71 55750.11 97219.63 140308.58 425064.29 161105.26 42505.47 257146.43 359589.08 141662.26 67197.91 85851.79 74257.79 207896.2 321863.87 80197.04 157139.34 164080.4 167473.87 164476.58 163261.1 164645.83 164548.37 163623.6 164661.68 163623.76 Doxapram 4851.32 3892.34 3501.23 8627.97 26658.05 7219.09 7190.68 12075.02 2465.59 4802.07 4440.93 3231.55 4603 3899.24 4787.43 6729.06 3519.54 4058.69 5676.69 3507.82 3127.81 679.7 4014.37 3887.67 4236.9 4505.36 3762.38 541.71 2308 3023.17 5675.59 7202.96 2485.16 2383.11 4067.62 5501.8 4103.54 5017.24 4269.54 2639.4 13952.8 6289.57 6177.84 3327.48 6738.16 5777.19 6174.23 1880.44 3504.97 3058.74 6209.88 4169.73 5689.51 4828.59 6240.68 4115.81 3247.63 5838.06 2465.25 4365.83 4038.24 4114.57 3016.57 3324.13 2577.67 2031.24 2987.25 3359.03 3470.66 2667.48 3725.6 5302.81 5837.57 3837.5 3921.84 5614.49 3934.05 6423.73 6354.6 6363.47 5818.61 5917.1 6017.17 6369.01 Tilmicosin 2521.32 6557.67 562.75 2246 9841.99 3911.61 3814.23 3460.38 4307.47 3336.41 695.1 9432.96 5167.1 9881.92 10150.23 889.07 438.53 367.53 12412.48 10999.07 7189.35 443.49 8048.27 3304.81 2005.77 6203.59 1774.3 3539.8 707.13 433.38 646.48 8565.61 762.84 8111.78 4341.58 7617.48 4467.18 9220.89 4213.25 3947.22 12779.58 11430.29 3983.89 4516.15 9912.8 4151.93 6345.43 6385.65 9984.62 16865.24 9417.51 8828.2 5070.93 9431.53 4487.77 7283.51 3631.32 2659.5 3247.45 3107.89 3041.33 2756.18 4319.19 3357.05 2982.41 6539.9 10614.33 3804.53 3606.71 3485.55 4913.75 3764.82 3819.79 8656.18 3664.16 6719.66 7044.3 7054.91 7094.09 7092.94 6934.46 7011.34 6950.55 7072.32 Homovanillic acid 17802.89 5173.17 3149.79 6419.45 27074.09 16960.58 8930.04 9738.25 10155.11 6795.19 5349.43 8392.1 9758.95 5949.48 3526.01 12069.4 6459.14 7329.66 12278.84 6877.57 10396.67 5852.22 4466.69 4754.05 8628.73 13283.25 7719.74 3033.88 27626.57 6296.18 8888.64 17014.21 5455.13 7619.1 7394.53 8241.11 6170.32 4135.44 4144.08 3867.62 10370.01 15783.87 3818.45 4497.24 10137.11 6692.41 5571.41 7166.38 9965.79 18123.92 8729.22 6841.11 6570.43 5458.9 9163.41 3750.6 2964.14 1206.43 8235.55 6995.41 3964.01 7354.08 6960.79 5249.17 4292.3 9878.25 6188.21 6555.62 5109.33 3550.01 3333.64 6075.84 6160.75 2798.65 6941.63 12020.15 11847.73 11342.71 12461.67 9766.87 12172.62 11416.21 14608.25 12346.11 leukotriene C4 4317.11 5315.23 2101.68 2904.18 14509.03 8387.22 2039.49 5685.78 2171.14 7080.17 956.95 3953.16 1614.42 810.24 3789.11 6838.12 3023.17 2612.41 3659.45 1121.76 4730.67 2120.92 4403.12 4624.06 3263.03 7409.8 4222.98 1260.02 2523.18 4894.22 2634.44 14123.4 3502.61 5148.96 3407.64 3895.74 3178.27 367.18 3436.76 2908.15 1144.04 9293.12 2558.24 872.59 9281.32 5575.14 2462.91 1259.99 8087.96 8987.08 12502.75 14664.04 4373.02 7770.86 12014.99 6470.59 877.04 2297.84 14193.46 3336.84 2929.65 1540 5302.84 3775.64 1615.57 10091.23 3570.95 4070.21 2324.93 2800.65 1389.48 7011.46 2706.36 2112.68 4012.53 6401.74 3817.1 5886.88 5361.84 5746.96 5100.69 5823.62 5954.83 5119.81 Capecitabine 2023.26 1179.91 1851.4 4771.15 6391.88 5203.89 1283.37 5105.01 7894.25 9970.92 5584.74 7926.24 4228.78 9471.03 5518.75 4426.14 3552.27 1593.09 14256.42 13113.58 4758.72 3826.48 3969.14 6144.81 8382.34 4862.4 3870.79 6211.71 5762.73 3061.52 7663.65 9114.65 3175.28 3565.49 5344.28 7638.62 8596.87 2657.22 3692.99 10792.41 9287.33 6437.79 6127.11 5318.4 6592.19 5774.95 11799.07 11137.85 6619.89 13427.96 2125.39 6179.28 6583.01 3764.23 3777.53 3926.94 5134.76 4780.96 6803.2 4360.43 2184.47 2672.05 5196.87 10772.6 3477.12 3327.19 12962.83 6111.47 8647.1 9296.25 7163.76 7267.54 6044.99 4110.18 3768.38 6428.96 6732.76 6378.82 6729.47 6734.25 6779.66 6778.03 6412.01 6387.26 Nystatin A3 2483.29 3301 1775.1 2599.42 2309.86 6033.49 4623.18 5867.56 13114.06 4695.68 8992.17 11463.58 4641.15 12009.46 3116.81 2955.6 1322.09 2065.46 4565.75 13366.83 3170.53 12818.86 9780.82 2405.18 3780.32 751.21 1613.8 11019.45 619.6 6608.13 3208.82 4305.59 1956.13 2520.41 2254.49 14325.27 5044.85 5056.6 2581.62 1943.23 7500.56 8109.52 2840.52 1699.57 5973.42 817.16 17481.43 5755.12 5954.85 11372.59 4794.1 5266.83 3139.54 3798.21 3648.29 4023.76 1955.6 1814.32 3479.15 4971.69 1527.95 594.41 3473.78 3399.4 1841.73 5481.6 6163.13 1542.81 2701.09 5479.95 4327.53 3908.64 2831.1 3633.64 3425.48 5344.79 5339.72 5356.12 5439.49 5338.58 5473.97 5406.78 4985.43 5337.41 Dl-Lyxose 1336.52 2893.13 2443.79 2521.22 1653.1 1360.49 604.64 1502.67 2824.06 2825.66 656.3 536.78 1630.65 1912.62 3442.32 1359.56 3986.16 1531.21 1615.55 1475.94 6212.95 3181.31 1691.22 1199.22 1422.83 3492.04 1271.62 808.11 1411.31 916.26 1239.88 677.27 1809.11 1256.85 1994.58 1288.48 3095.93 3662.57 1555.94 1574.71 551.93 998.99 1116.83 2643.07 1337.95 1728 1791.88 2514.73 1601.23 2766.9 1700.89 1761.26 1220.26 1908.26 1278.72 2786.8 2200.6 1747.71 2237.89 5856.29 3015.61 857.4 1926.37 2682.23 3447.15 1166.22 3533.17 501.79 1574.61 4774.01 4526.15 1952.37 1357.42 1210.46 3313.62 2333.77 2392.49 2309.1 2124.92 2307.4 2415.71 2316.75 2399.2 2388.43 N-lactoyl-phenylalanine 1022.51 1277.01 1128.56 430.74 3962.31 5354.23 1760.26 4423.67 5625.51 1785.14 974.15 2278.72 1081.81 1424.2 4429.83 2366.06 713.54 2974.74 3131.33 5402.03 4309.15 1776.42 1809.3 2234.39 3354.56 3945.9 1566.76 1064.26 1993.77 1578.36 5782.79 3875.26 1072.61 2443.73 1809.06 3655.1 3205.28 2439.25 939.99 1613.34 5078.07 5589.87 1686.28 491.5 4109.74 3804.47 2601.9 1100.43 1362.07 1213.98 1861.95 2396.12 1402.43 2171.52 2178.79 2150.91 999.46 688.37 2674.59 2998.13 1249.61 1782.39 844.28 644.88 2508.8 4975.18 4412.55 681.06 1226.55 2465.8 2391.86 2423.41 700.08 1928.28 1967.38 2655.79 2598.86 2517.37 2646.75 2487 2486.63 2524.1 2635.99 2685.99 Pramipexole 30049.42 30155.2 31924.66 28919.48 32062.55 21329.91 10864.32 15505.16 29225.82 25730.26 5430.89 18327.29 19093.45 23904.91 23393.35 22745.01 20872.83 26502.98 23648.87 20928.55 8326.43 13505.89 17398.64 29964.4 32137.06 30365.9 30383.68 29303.73 33262.02 24594.29 25342.82 28773.07 15625.4 31976.98 26893.6 33179.36 28207.43 15771.87 26543.04 23414.04 21000.39 22497.87 26466.54 23794.53 26719.34 20453.78 29045.34 25743.94 17973.73 21636.45 20944.17 21855.83 24496.44 19985.32 10443.56 24444.48 23476.3 23480.34 23116.21 15698.67 21341.37 22027.25 23001.3 21225.03 25955.72 25451.22 20722.28 30360.82 26313.65 24300.88 23067.52 22680.32 14670.72 19437.7 24017.81 23445.13 23124.04 23293.87 23126.46 22749.46 23264.59 23128.25 23296.4 23299.41 Paeoniflorin 824.49 2626.92 1889.32 2595.16 2721.43 4069.46 3699.43 2310.33 2264.68 3943.71 860.09 3969.64 6874.06 3398.7 2566.06 2533.39 5024.74 842 1768.04 1546.07 2964.36 675.05 2923.82 3167.91 2053.79 1434.82 5596.38 3913.13 1744.64 2140.6 2388.54 631.69 1059.24 8097.96 2386.23 4238.08 3437.55 901.33 1044.94 2510.36 3899.62 5575.03 2636.58 2785.12 2069.66 961.98 3590.73 2034.17 3824.06 5521.78 1427.2 8557.07 1208.6 5733.13 1109.24 2818.57 324.01 955.64 2023.51 1673.58 1475.21 714.61 2780.61 1629.68 1662.69 4241.61 5165.83 933.98 898 2943.08 584.86 1551.16 898.38 2944.47 2436.59 4584.08 4404.62 4445.73 4024.49 4440.66 3216.21 4544.61 3873.45 4499.89 Phensuximide 635.3 1575.37 2202.05 1014.88 1045.84 1012.67 1352.96 916.87 1367.11 1947.74 842.17 728.74 915.63 1046.59 1585.8 1127.63 919.26 1286.23 2371.63 804.99 491.09 744.36 1519.31 1546.04 1409.52 740.39 1000.25 602.78 1925.72 1166.86 1015.93 584.45 1027.59 745.14 1574.62 1972.91 746.84 806.09 1220.36 1604.3 970.95 471.86 1999.99 821.64 1163.7 704.44 824.37 2328.88 1139.16 1423.31 974.61 1073.76 793.88 1512.09 564.38 1773.93 1570.21 1703.07 1822.65 657.88 1309.04 1806.82 661.34 920.13 1647.6 924.2 1347 2075.64 1685.95 1225.2 1728.35 945.74 692.42 1211.38 1285.34 1338.13 1276.03 1347.15 1292.84 1236.77 1329.41 1264.23 1331.03 1257.14 Pramipexole dihydrochloride monohydrate 18200.64 22494.89 13843.55 14151.32 18230.14 16714.54 16787.23 22678.63 26554.69 16094.17 13265.24 11358.25 13166 15293.26 22859.96 17461.32 15515.28 21781.34 17149.63 25097.86 14286.12 12784.64 10505.31 12285.76 21859.18 15468.44 19353.94 14312.1 29636.43 7954.69 16405.45 16294.57 14455.34 18000.31 14403.59 17003.36 18878.98 13718.46 12574.54 13007.91 17929.42 17582.21 19225.39 13338.79 15753.5 14703.14 19233.15 16656.79 16098.3 14346.22 14313.54 14612.88 18298.46 17763.99 13957.11 16272.74 14916.62 12699.68 17845.19 11651 11158.66 10200.24 15490.88 12997.92 14463.6 17315.18 13769.64 16278.24 13213.02 18929.79 16856.25 13662.78 14065.98 15238.5 14273.36 15819.64 14965.88 15622.63 15632.34 15612.84 15824.83 15892.01 15819.43 15621.88 Ciloxan 3481.91 604.82 1760.99 614.7 3032 1673.36 2142.69 1558.81 3933.35 1059.26 1154.04 719.87 6539.74 1948.52 2765.1 1465.36 520.33 1000.61 2051.35 1304.97 3474.13 3856.39 998.68 1613.08 2789.03 3544.14 2183.81 1055 1529.5 2517.95 5866.25 2845.91 1951.98 481.51 1359.17 2469.97 2214.92 750.25 1574.07 1887.63 9785.84 2299.65 907.1 657.85 8755.61 2181.89 3546.03 1759.14 1446.68 3485.75 771.19 1733.17 1509.34 1767.46 1919.38 2690.47 405.32 1569.45 1808.11 426.84 516.68 516.32 1060.66 2090.29 1931 1033.62 9404.52 459.7 1738.27 1787.8 3953.13 2173.92 1679.81 1868.54 1669.56 2348.83 3295.36 3256.91 3257.78 3091.12 3261.21 3091.15 3150.6 3219.82 Sofalcone 39347.6 57557.08 27057.91 38846.14 59830.28 30412.64 31877.89 50063.18 56072.05 20129.93 29982.32 47979.57 63931.67 47982.37 70446.37 72335.53 35909.93 82520.4 81593.79 114205.95 47796.03 25747.49 15108.42 46958.59 46248.67 42311.41 25366.36 25958.68 68838.61 41710.96 113703.48 109811.78 23261.13 17617.66 30659.89 45506.78 31278.43 12122.5 9622.17 28467.94 98976.7 63968.15 34859.71 30156.31 67420.39 29063.59 60216.11 52211.06 24580.27 161120.7 19280.4 36599.71 29061.86 55296.39 51585.99 62567.42 29812.38 35499.21 30394.75 34619.86 22424.44 12788.95 44300.39 32648.19 30971.44 55160.91 77645.87 34968.48 46661.03 41834.82 29850.09 31673.09 27923.3 60523.53 41696.92 1181.32 2315.01 1779.55 3353.73 1851.07 4108.49 4763.95 1532.96 1450.07 1969.32 1737.4 2482.56 1971.56 2670.4 1667.43 1415.41 915.82 3280.14 2048.12 3198.91 1887.93 1185.53 2506.25 1291.9 672.33 46797.06 45786.61 45069.87 46170.01 45772.34 45801.68 45782.4 45960.68 46364.65 Atrazine 9217.65 8149.27 2274.15 2563.85 5663.47 3724.51 3053.97 10586.55 8838.37 11133.65 4901.07 7467.22 4741.61 6036.79 8112.36 6390.63 3838.89 7808.76 7868.34 3473.08 3486.33 1061.61 3738.08 3925.62 11109.41 7999.64 7710.84 8972.12 10616.82 5091.87 7488.03 7669.74 7763.59 3942.05 2630.54 11518.59 8342.21 5774.49 5435.97 7044.31 5802.17 9875.53 4036.83 4271.9 8091.67 5201.23 9365.87 7819.28 9085.82 8655.38 6033.2 5659.91 3472.18 4456.68 7510.17 6451.57 2250.34 1882.95 7635.89 3172.47 2263.69 3165 6380.77 3461.79 5374.36 8307.62 6211.36 8197.51 8707.08 8567.16 10805.12 8621.53 6297.6 4369.92 4232.44 7261.1 7296.64 7181.99 7172.4 7279.06 7273.58 7266.64 7260.53 7177.85 Amlexanox 42880.3 16499.63 5205.13 3548.45 2008.01 2853.99 1132.8 11284.35 49504.29 16916.7 3092.39 12713.15 2619.09 5589.9 32249.19 20468.46 7380.96 17136.19 19812.86 53808.37 23493.32 6827.82 6344.43 7897.21 5259.19 20936.01 7524.18 7919.26 32073.99 9282.06 8279.88 13761.26 20157.15 3835.13 2297.83 5687.99 10124.78 12355.47 4181.82 4668.19 4883.39 31669.48 2978.8 3700.77 5916.35 2173.86 36605.17 23008.02 10738.04 21700.56 16591.86 5672.52 2485.03 5469.63 19161.52 9879.29 4098.41 480.54 23948.8 731.42 430.34 769.19 11589.3 7399.4 17226.2 14051.69 14450.92 15613.82 14673.06 28308.11 52912.54 13339.63 18971.44 6758.54 6875.87 14529.93 14523.74 14476.87 14655.26 14477.05 14727.86 14482.82 14644.8 14476.27 Clotrimazole 4399.94 7322.2 4773.57 6196.04 4795.05 7459 12881.53 14875.53 6200.38 5416 8507.58 4171.68 1283.81 5219.34 2911.7 1595.6 5326.95 691.09 2016.56 4583.46 7231.74 1765.57 2284.35 1015.21 3205.82 4262.58 3634.83 5432.94 5712.57 2950.66 3958.64 4201.62 3069.53 4771 3357.97 7722.04 4218.52 6076.79 5807.97 5209.39 5181.31 8424.22 7239.63 3881.67 9527.29 8325.13 2939.07 5406.37 8191.62 3549.05 12369.14 3560.41 5807.52 4813.5 8219.8 6021.67 4149.02 2489.96 7082.38 5475.59 3747.89 6100.7 8288.08 3636.59 7775.5 11311.55 25133.34 5614.51 8340.41 12212.62 9115.98 7054.41 6019.54 4146.27 5243.13 6642.85 11223.1 6682.57 6354.47 6356.08 5901.91 6368.31 5340.33 6623.85 6019.32 6020.45 6598.67 6021.89 6454.99 6684.47 6118.45 6263.6 7043.83 6244.99 6458.15 6419.72 6346.84 6045.64 6766.13 6569.16 11095.68 10211.01 9109.71 10102.28 9870.91 9277.78 8819.08 8186.77 8625.7 Trimethobenzamide hydrochloride 7837.46 4970.82 8500.56 3723.15 6409 6244.08 12696.19 6411.39 6401.67 55410.79 8979.03 1259.61 927.02 3206.03 9313.36 52769.59 309333.27 6682.44 4232.94 5718.71 6663.35 2112.23 496.23 1898.74 770.5 8336.68 1892.31 5085.68 1254.79 5818.71 1613.04 30446.43 98999.45 9596.57 3718.72 4399.01 4964.47 14688.72 2803.86 3350.3 16547.21 14730.5 4429.1 5149.64 5628.82 24667.44 35077.16 3306.98 7126.44 5017.22 17113.27 12320.26 7128.15 6226.2 6709.4 16236.34 262450.45 1135.46 43820.34 3238.09 6082.09 1764.49 5225.49 3240.81 2799.69 10110.09 5970.7 3960.96 4554.29 3511.2 3819.87 10491.62 4212.65 7655.54 4078.61 20805.87 20782.35 20807.39 20805.31 20859.15 20808.1 20665.76 20691.28 20517.64 Morusin 24989.78 77614.79 3021.29 274.83 7172.37 111285.16 10273.66 8146.21 30206.11 16764.74 625.34 686.81 930.68 2830.44 118196.75 4821.98 18867.3 483.19 1700.67 49586.65 9986.81 71322.37 6443.15 7322.49 9852.45 70005.6 1196 1032.24 2265.09 1460.73 6796.97 6269.11 110067.38 7581.83 5109.05 3723.99 10649.89 98976.58 4016.78 3504.81 10784.91 28751.62 4807.92 3451.92 8165.16 4309.76 8113.64 10389.74 2192.39 8601.45 11372.27 28505.96 2051.34 7494.59 7719.74 91120.02 5646.44 2393.67 33380.03 94420.71 2713.92 3932.46 77331.85 9882.47 4494.29 18049.75 192388.69 4597.31 2632.66 16258.26 90147.45 7460.92 8001.39 7776.17 6370.45 31269.81 27159.44 28254.88 28117.17 28062.11 27005.38 27027.57 28102.21 26665.5 Eslicarbazepine acetate 3624.66 467.82 11487.79 3250.91 25404.46 4802.62 8761.78 16073.04 14729.48 17697.56 10397.97 21063.85 22898.25 19899.21 16297.54 1457.83 9817.01 34800.96 32528.91 10550.8 19194.04 4893.83 11966.29 14273.48 28658.05 11980.83 14482.2 8667.79 21908.34 11652.5 4088.83 54048.93 16693.64 7544.2 10730.33 18370.53 16269.75 7624.87 9597.93 5961.09 5578.33 20401.42 17209.87 10768.55 23121.96 5319.97 7336.12 6704.14 31743.15 25743.47 14867.56 15599.32 14246.62 11440.5 24456.48 15278.9 11382.25 10261.3 26013.05 17247.51 16444.71 15818.28 22671.05 14913.29 7794.05 22881.62 23763.82 7887.35 4594.11 17576.11 10260.87 15389.97 9470.46 6554.04 9103.99 18588.33 18578.72 19478.33 18680.92 18579.35 18843.52 18085.69 18850.01 18744.74 Cimifugin 1712.85 2792.49 3896.21 3146.61 3653.38 1308.26 755.05 2761.61 2236.87 2831.18 4396.43 1216.17 4076.33 3332.49 1512.95 1956.52 2520.89 1918.04 8171.75 1740.9 611.77 2406.27 4115.91 1231.8 2060.06 1697.59 5542.56 5475.15 2289.69 4356.99 466.41 5494.48 927.72 8171.73 10151.42 1991.54 2335.23 1848.34 4694.75 6661.09 4846.21 2504.36 2909.52 3285.76 1954.89 1729.22 1675.59 6658.59 5818.05 6817.65 999.44 2154.06 8508.91 10835.49 486.42 1337.66 800.43 490.9 5482.76 1093.21 2050.09 2979.66 796.06 5404.2 6039.21 807.11 2182.08 1342.78 4847.86 1228.32 1165.92 2563.54 5977.79 5289.17 1369.8 2813.13 2791.62 2759.67 2954.8 3084.09 2614.4 2988.06 2982.96 3007.78 Methotrexate sodium 13959.69 983.53 67985.17 58968.65 15249.29 11910.12 3571.62 816.61 13045.53 13036.53 14212.48 4925.77 4069.26 21660.2 18019.96 14008.31 11643.94 17566.54 13986 18376.76 16850.42 15528.13 17718.77 29314.74 17280.89 20319.31 6750.96 15776.04 16537.65 831.6 16723.31 14381.36 13224.24 43503.43 85205.85 7444.22 21378.71 18455.65 32550.79 27435.6 11250.28 4563.05 36538.59 26084.49 16047.15 17196.05 3942.33 12150.43 2344.71 14099.32 11748.39 27627.94 42458.35 35490.45 10882.13 18898.96 36864.82 54697.52 17323.04 12495.53 65801.58 15159.5 5639.18 73986.89 25836.16 16717.3 20978.33 8004.5 13588.56 8397.78 19043.78 10210.48 28950.47 77867.54 27089.16 23999.82 24131.32 23195.96 24501.97 24266.76 24774.45 24045.98 24256.72 24525.01 Indinavir sulfate 103986.97 48898.42 42377.4 7482.68 111778.22 62331.13 5386.24 182181.75 143030.54 123750.84 60130.52 126436.33 60096.8 81434.01 113538.04 139126.83 29223.8 224626.59 219419.96 122249.38 180816.39 92778.26 82734.3 61668.96 161396.74 125652.14 54984.3 73034.21 190275.68 196585.46 109000.66 426185.51 73717.36 123617.04 46598.88 134060.15 147722.34 59329.6 54042.79 42638.91 87637.42 253767.64 77813.76 59145.08 214796.52 63433.8 117759.53 80797.12 257854.28 221359.3 270160.3 118794.01 93646.59 27714.48 136379.7 81482.69 19660.72 32288.04 204439.22 40658.23 57646.93 55484.55 113068.7 87736.28 51724.42 140604.12 85774.57 68580.1 59191.53 126135.34 68136.99 114264.44 91254.47 62732.61 64836.37 109558.17 109681.09 109968.33 109386.58 109227.31 109225.37 109226.32 107315.41 109572.47 Hydroquinone 8221.22 9024.52 7601.92 8190.8 7986.16 6069.06 9760.21 9840.7 8753.27 8932.75 8952.53 7200.39 7978.07 8931.44 9084.77 7780.97 8375.47 6471.78 7308.47 7231.75 7713.73 7933.08 7331.77 9162.71 8043.23 7843.29 8914.17 8306.76 7874.89 8747.96 6111.24 7400.86 7346.36 9253.37 8339.33 8392.32 8783.33 8756.26 9113.71 8862.75 7808.88 7353.41 8564.27 9353.65 7597.64 7779.17 8366.87 8826.3 8616.14 7288.87 7694.18 7982.87 8262.72 8614.47 8042.2 8071.91 8566.2 8972.95 8057.77 7958.2 8204.73 8425.32 8225.19 9330.61 7256.75 7671.8 8331.36 8752.8 8340.03 8845.01 8345.36 8558.24 8346.62 8406.25 8218.27 8190.57 8112.19 8128.87 8365.47 8192.66 8107.94 8140.5 8131.25 8107.83 Milnacipran hydrochloride 2714.85 12400.56 9202.92 14489.99 20678.45 19824.41 13993.29 31350.81 32713.04 17996.66 7181.22 7509 7628.02 7472.25 23521.36 18653.16 2141.53 3774.95 2627.77 21479.67 16629.2 6498.48 8984.09 8113.16 30583.36 3029.61 5119.81 2417.88 18614.78 4584.35 2725.15 6111.48 16230.66 16608.56 7260.97 24941.01 13655.66 9328.45 2211.81 18791.24 10261.36 12840.31 21812.89 6607.06 10785.08 8561.86 12144.27 9248 12515.62 11793.79 16510.56 9890.23 12244.29 16837.48 25177 10055.12 8174.09 9887.82 13191.47 9546.72 1713.44 5711.95 24159.54 18480.9 15114.12 20733.04 19514.91 5453.84 8643.38 31440.48 25549.73 19905.37 9545.46 9348.34 9219.33 5298.24 4571.63 5307.68 5887.04 5766.48 5562.55 6076.64 5122.43 3845.38 4715.42 5350.51 4297.08 4332.94 5976.85 5841.62 4901.13 4520.8 4851.14 6047.76 4094.78 5487.84 8860.67 4888.07 3472.52 5750.41 12578.22 14726.29 13871.92 12264.25 5932.22 12624.85 11545.66 11812.72 12109.33 prostaglandin B1 5759.25 8319.96 2095.07 1861.64 4051.72 12307.84 4746.25 4491.23 6280.57 9438 6205.77 2635.99 1855.08 5699.42 5601.25 4743.6 8710.82 6809.7 3328.2 5209.14 6637.48 2343.8 4111.99 3671.12 4227.55 8156.24 8346.61 5608.81 3259.36 11163.83 5444.03 3767.43 11839.81 7050.37 7240.63 5236.9 8187.73 15959.83 11952.12 11201.92 8133.53 715.9 7101.79 2961.96 2556.04 899.8 2931.95 3811.79 3764.34 3007.43 1054.3 7284.31 3386.08 2014.35 2571.14 4610.78 4844.12 7555.15 6920.37 8751.04 6354.67 10928.6 4874.04 5103.55 6470.43 3306.57 7301.12 4250.21 4500.72 6728.33 9339.72 4055.74 6121.12 3365.37 5918.33 5023.3 5225.36 5089.49 5024.35 5047.91 5111.85 4985.17 4978.78 5021.1 Buspirone hydrochloride 207.26 661.41 633.1 5616.73 27738.6 38134.64 22628.23 1174.46 317.33 111.53 608.94 1589.05 1402.43 938.66 172.56 2504.91 601.33 221.82 369.49 359.87 257.18 819.15 726.63 753.22 136.84 250.16 336.7 589.16 328.68 285.37 153.85 740.24 125.65 317.61 138.23 262.09 237.82 583.83 392.33 104.05 12329.31 2108.34 273.01 174.17 878.39 3799.97 464.98 219.1 458.09 964.33 821.26 285.45 950.78 105.4 829.41 779.03 681.67 686.91 731.83 819.66 616.69 751.19 152.71 306.32 448.9 967.46 339.91 426.5 284.55 513.83 592.1 369.37 171.22 127.35 1213.02 2778.13 2732.94 3232.45 3057.68 2879.25 3039.28 2946.36 3080.7 3062.83 Palonosetron hydrochloride 8047.25 18066.3 10025.23 10788.36 9049.36 7043.09 1622.34 12225.01 9411.99 11941.59 13679.48 6363.27 7063.68 9570.52 19101.7 11566.45 21265.43 23689.87 11787.88 20262.27 9661.2 11345.3 1471.82 9642.55 11473.36 17313.34 10699.99 7795.93 7288.28 19481.71 13075.51 7823.36 34547.8 8052.18 12694.63 7966.53 22243.82 19311.44 10242.38 21374.41 12314.86 6230.89 11626.4 13357.68 7928.01 5028.54 13084.9 15838.83 569.07 7259.52 8858.74 14545.42 8903.16 10225.95 10690.35 17678.45 18166.09 21120.53 28138.74 21421.76 17986.13 11431.47 16532.06 22064.7 25956.47 8162.82 11967.54 5185.95 13835.06 14529.39 21070.3 15128.7 12304.24 12228.34 14361.34 11859.5 11946.75 11943.37 12080.52 11939.89 12079.81 12083.41 11946.19 12088.84 Lovastatin 1068.1 3389.43 186.43 36807.24 112258.13 22189.18 161762.78 1413.71 707.31 2925.1 142.33 1113.76 1609 416.33 3051.55 591.09 605.51 1729.53 1776.79 323.89 1512.73 2488.14 2592.41 522.56 1412.12 945.05 1533.04 265.95 318.29 583.65 467.7 3526.95 1160.68 784.65 3243.7 5196.13 207.55 1439.73 4231.78 4360.81 60675.22 4408 2786.69 4162.08 293.99 3711.97 246.13 3473.26 762.57 4416.7 966.97 185.71 3073.63 265.8 10163.34 3491.16 6855.2 2898.36 426.78 5909.93 3711.5 3760.69 4672.32 3271.63 3414.62 5628.32 3321.96 3986.8 4924.9 387.39 4022.6 945.77 219.84 3348.04 2342.12 12661.83 12938.32 13028.83 11009.32 12248.66 12413.45 13000.39 12864.38 13091.81 Domperidone 680.65 541.3 1390.67 164.76 471.61 999.91 1795.72 1077.01 394.51 7502.6 219.27 15.35 213.74 848.81 2155.8 7512.58 30163.38 806.15 413.58 645.19 400.64 1175.05 214.84 15.35 470.63 1690.74 814.2 626.25 1971.59 15.35 996.75 15.35 11708.47 3428.5 83.17 1101.41 15.46 992.59 2562.07 369.02 198.12 2123.38 15.36 133.44 395.2 3479.97 7018.8 221.76 1263.56 15.36 5559.95 1795.08 1442.98 1780.59 174.86 3565.23 85647.62 15.36 10057.07 89.32 15.36 15.36 513.03 15.35 15.36 260.73 2710.53 339.16 15.35 204.58 323.72 1240.71 90.85 15.36 15.38 4831.93 4917.37 4993.69 4902.05 4806.7 4757.79 4758.05 4903.21 4922.11 Dioscin 9684.92 7738.54 5725.48 6535.14 7007.03 5020.11 866.94 363.63 12113.67 10923.65 2188.08 2102.67 1648.29 1221.38 600.13 772.5 450.12 859.98 1704.39 807.68 10624.82 14997.06 9102.63 9267.25 6969.68 5331.84 17471.26 11024.44 548.79 5054.07 11243.78 587.89 16004.14 18885.31 10752.58 6896.93 17766.2 19345.84 10713.85 9403.33 35292.49 24514.72 4991.52 6606.76 25712.78 10790.77 8041.22 5063.52 4210.99 7349.37 14156.42 16106.5 8418.84 11041.89 11087.45 14700.95 7047.47 5231.37 14005.45 12265.73 7797.61 9580.73 10887.49 10217.96 5300.75 14450.7 26421.29 7701 6178.4 12660.34 13027.08 19145.38 6941.54 10060.34 8975.29 3388.1 5854.75 2743.1 3949.94 4448.28 826.46 63678.12 3141.23 2391.39 3179.17 7085.13 4744.43 3652.85 3348.83 8309.09 4956.7 4149.54 4701.71 2849.32 1122.68 2316.1 3016.17 10716.61 7909.13 2681.59 13378.68 13776.36 13678.71 13155.97 8457.9 13719.84 12850.38 13750.9 12819.47 Folic acid 17496.24 12577.08 11246.53 11989.78 7887 5545.88 12936.77 8718.62 22091.2 7480.78 3587.81 2325.12 11233.74 17257.94 5868.89 4040.25 429.16 1443.48 14625.35 6132.69 28590.7 20941.29 2473.59 15720.29 4905.85 20342.24 11591.65 2562.63 18386 14284.94 6781.16 18539.23 3464.63 10960.16 12943.44 17617.25 20186.62 12820.28 19341.97 4684.07 8537.93 15241.47 19813.8 12558.4 19476.49 16339 17167.77 15645.56 5957.16 4953.37 20340.59 11146.47 17623.28 5831.31 18626.3 20419.8 17322.63 21265.73 13195.93 8335.34 16857.53 16680.87 9582.06 5162.31 14384.18 15069.21 6097.92 13802.8 12566.62 16866.19 23718.24 16428.28 14463.72 16494.25 17307.53 16535.07 16691.58 13997.56 16852.39 16081.86 14946.38 16117 16797.52 16669.48 4,4'-Methylenedianiline 1116.81 425.86 1932.11 1622.34 2835.74 603.02 1844.67 1181.12 2614.95 2558.1 1393.46 1647.34 1575.57 2890.41 6060.11 2495.46 2727.04 9147.04 9433.88 772.16 3611.36 3093.82 477.73 1035.2 4469.12 1133.91 1567.46 2015.28 6112.29 3603.29 1737.94 9819.45 5314.83 1741.39 2201.7 6806.14 5659.39 797.51 888.46 1603.51 1291.92 5072.85 2734.92 646.62 5364.15 525.01 4244.04 3035.85 4244.26 3972.88 2830.72 3652.87 1614.95 2665.33 1459.51 5519.65 1973.72 1909.02 6146.92 1380.1 1524.27 1340.89 3580.08 3416.12 2468.35 740.2 2201.35 446.68 2014.09 4473.7 1779.33 1853.37 2949.74 2153.71 1991.17 2750.66 2688.83 2787.4 2669.88 2793.79 2670.4 3126.57 2677.43 2344.45 2-Benzylsuccinic acid 9347.86 22657.5 31550.88 35923.08 1555.53 2590.64 26319.26 1200.89 12641.25 4767.89 18850.33 10815.09 16568.2 20418.61 17332.45 24556.89 25291.91 1175.19 1393.69 2636.56 12467.44 7609.87 6889.43 28659.69 4154.15 2502.01 12735.1 1289.08 2527.12 1502.53 6217.49 4025.24 7379.61 3758.36 12261.94 961.28 8542.63 9887.38 20195.38 7303.25 6181.03 6890.47 21421.9 30847.75 7888.42 17419.71 4694.06 1266.86 7567.36 9534.9 9335.27 19433.82 2983.29 11148.03 28732.88 21479.96 47493.62 23682.82 7282.41 18799.29 35298.2 15425.21 26396.94 9130.24 6356.11 23525.28 18084.66 18734.84 19659.21 9336.61 17648.15 15421.32 13823.08 10303.22 28011.1 15167.99 15275.87 15179.73 15092.08 15344.31 15093.51 15095.46 15179.19 15024.75 3,4-Dihydrocoumarin 1632.31 4521.29 612.54 510 1612.01 1270.54 2169.03 2783.22 3708.18 6916.36 951.66 2517 960.58 3160.6 3815.8 3384.84 3973.99 4503.62 7879.86 3050.44 3558.01 4990.83 992.13 985.25 2656.32 9187.91 7285.98 3642.57 3273.41 2278.52 2498.22 4675.13 4395.93 3156.22 2694.27 6355.39 1400.79 4889.46 2410.74 715.68 2076.3 1319.81 967.59 2447.12 3125.36 1024.44 3449.8 3376.6 1584.08 2492.53 1058.22 1643.55 507.86 1247.29 2280.27 4537.86 2541.52 854.2 3210.86 5615.92 2273.77 1890.8 2221.49 1052.06 1632.96 600.73 628.46 4444.35 1596.11 3129.77 3018.01 4019.27 505.9 2810.39 2898.54 3342.44 3383.25 3265.8 3467.35 3386.7 3334.89 3336.65 3334.69 3383.61 N-Acetyl-L-methionine 1348.23 5787.04 5369.75 5822.5 6179 45921.18 803 4817.05 5468.87 6906.62 2960.04 6850.84 4767.3 5566 6684.52 6631.16 6243.17 5168.45 7270.03 735.45 5487.34 31127.68 4841.39 6210.99 6945.95 6169.78 6330.79 5351.58 7781.05 4989.73 589.36 6540.59 5404.84 5786.83 7156.93 6848.41 5214.28 4731.32 6467.64 6753.48 4344.01 6915.32 7109.68 4861.87 5522.47 4538.66 6820.81 6808.34 6263.28 9002.96 3648.6 5370.19 5655.44 6111.32 6642.85 6376.6 5998.35 6573.33 6065.31 5980.81 7400.74 8846.99 7541.22 5394.57 5856.4 6670.08 737.77 6538.2 5580.51 4626.45 2922.43 5516.96 5068.16 8274.79 5380.27 7024.43 6686.9 7754.77 7813.98 7703.9 7711.57 6754.44 7969.27 7788.78 Pimecrolimus 2202.18 2285.06 437.8 841.51 1942.59 1213.83 1818.34 2243.29 515.22 428.51 1134.81 3327.21 1414.87 1107.34 2594.88 6271.25 1501.55 1721.42 2582.89 1960.51 499.17 415.27 440.89 1942.56 1107.85 326.68 1055.16 2704.69 2556.53 713.13 1358.34 3982.1 1631.59 9207.21 3523.81 2772.24 1676.44 1060.98 1030.69 2143.77 2884.27 6436.19 3367.4 1162.23 3177.14 3633.04 5583.78 1850.99 300458.35 4504.21 2236.62 5446.64 2304.91 2454.76 2726.91 2731.05 1649.4 1306 2977.89 2751.72 1892.71 431.67 2784.84 1690.57 1174.7 1141.4 2469.42 576.19 1794.95 6988.34 2925.61 1369.14 48123.06 84819.22 25754.08 2961.56 3229.75 3101.05 3027.37 2974.89 3229.97 3238.87 3193.39 3009.35 Adenosine monophosphate 148.89 544.46 2195.57 1058 787.92 2981.26 992.46 232.26 1067.95 605.51 171.54 149.59 725.9 457.79 317.33 630.13 369.95 162.32 165.64 174.18 381.76 3453.42 279.66 246.32 584.36 813.2 160.66 221.97 139.94 324.17 424.81 373.69 496.02 3541.4 801.81 600.46 399.03 1966.6 492.51 744.13 598.93 925.49 536.38 570.08 1168.34 347.8 543.31 1388.07 269.22 334.27 271.93 1664.06 632.52 492.29 660.86 512.31 2836.05 3669.03 275.31 3528.98 1361.97 1292.66 798.64 906.14 818.91 470.33 676.14 211.62 348.83 472.99 489.37 275.24 473.24 1643.14 407.63 2557.96 2308.87 3770.77 746.51 1188.56 3056.19 3306.48 788.72 7040.19 5304.71 8443.25 24155.64 1656.67 725.94 9874.1 955.76 5075.78 3893.69 1076.5 2724.55 5839.28 7698.75 1384.06 9667.35 1031.76 2534.37 2662.52 2149.5 2661.84 2434.41 2716.24 2537.67 2706.59 2707.2 Chlorprothixene 2263.53 9352.76 1284.09 3075.82 3229.47 1780.22 4299.53 5650.6 619.04 9518.95 2609.43 9085.83 3183.47 2829.31 6078.07 5028.83 3838.91 10235.44 19935.22 1119.04 914.42 4252.48 2177.19 5527.27 4907.71 2801.44 12941.42 5779.29 6326.29 2965.26 3025.7 8873.09 5439.18 1995.29 3230.26 8798.27 1781.66 3506.59 2699.71 1410.27 1223.04 4477.02 2974.36 3011.21 1245.56 2370.09 1343.37 6081.73 3887.4 4687.9 2708.41 4071.99 1063.83 1792.59 6354.34 5427.09 1698 2450.69 4467.2 3513.73 3453.44 5950.4 5481.7 4064.64 2850.61 3362.99 2996.27 8538.69 3955.01 2541.61 3255.24 8969.24 3621.96 2536.81 3122.22 5268.2 6321.26 5775.89 5195.55 5441.92 5672.05 5322.54 5307.93 5309.6 Clopamide 3235.79 40209.49 5333.58 7702.85 1786.8 6246.61 3668.78 5797.46 4849.16 27754.24 589.31 857.23 16952.42 5440.17 1009.39 1602.84 12619.63 1747.7 5670.96 1135.18 7290.85 528.18 22736.21 9326.65 1437.3 1041.25 2896.69 2335.46 2091.92 5252.22 776.06 3910.51 2230.72 30082.46 16763.61 10689.31 1313.87 858.67 2801.42 8041.79 14552.86 9829.7 8074.89 3019.75 976.3 1276.53 5524.05 10699.93 4825.08 1744.33 6527.3 207467.76 11726.19 2676.41 1556.53 31614.48 4898.52 6057.7 7519.2 10599.23 17896.37 140934.84 1756.98 7219.13 3154.2 2078.32 4278.29 4485.86 3191.59 815.97 1462.19 87600.85 5177.57 26532.32 1655.24 6979.21 6890.19 6894.32 7054.76 6899.38 7148.85 6890.77 7034.16 6906.31 Quinine 265.91 89.46 328 8842.09 23989.89 14435.71 9921.19 867.08 259.23 266.11 191.1 882.24 6279.42 711.26 434.74 1889.6 1791.89 456 593.55 154.61 864.11 213.62 323.43 223.97 355.98 563.08 1394.24 568.64 769.32 934.65 511.27 3223.23 94.96 1248.54 585.97 408.75 307.31 417.17 420.03 293.43 6241.21 4069.14 150.71 170.14 584.79 17505.99 302.44 274.04 399.21 1676.91 942.14 274.25 630.64 685.09 4760.34 245.49 304.05 416.19 467.23 507.44 83.68 470.3 235.51 405.64 124.2 613.28 849.96 673.62 428.52 97.11 297.61 428.91 530.89 719.08 1768.75 3444.31 3381.73 3280.08 3648.88 3378.38 3676.3 3407.34 3512.45 3623.52 Parecoxib sodium 282.24 141.57 100.06 204.57 347.19 174.99 259.77 110.62 159.01 106.27 262.64 270.28 203.13 176.94 147.89 149.94 133.9 90.57 141.25 406.45 236.92 123.04 99.83 190.43 107.29 215.88 148.29 219.29 615.8 97.25 574.12 519.96 83.03 213.25 144.24 233.22 170.69 290.64 199.6 154.28 166.29 435.9 341.62 227.2 202.7 231.62 196.37 126.73 149.48 390.53 350.47 271.21 255.59 138.37 116.53 189.52 111.48 160.12 110.22 163.17 224.6 205.26 95.81 177.12 205.63 156.87 226.48 234.35 200.11 132.37 232.39 227.02 193.93 118.24 210.54 1223.96 1536.7 1566.72 1548.32 1595.37 1593.11 1604.01 1583.94 1575.78 Methyl nicotinate 208929.99 172016.1 262236.25 299830.33 190484.2 18271.16 394889.91 276907.54 165263.75 134820.69 98092.72 203113.69 94411.62 142782.04 278573.81 236174.28 130884.6 342128.74 40789.54 160655.12 185668.7 68022.37 158529.89 139431.94 204025.28 84848.21 83300.85 49110.4 223300.29 127849.02 241536.07 22856.66 131171.33 165334.33 100974.46 161251.57 250559.45 94401.03 163297.18 231952.8 7544.27 36425.93 150572.8 77840.38 124337 296105.08 245331.67 163293.7 37219.66 76860.94 177256.33 228129.19 150226.47 240709.71 231280.04 195362.85 278070.27 155073.92 181891.74 139008.81 126924.36 281892.25 222191.51 235928.1 89649.44 306356.05 52923.94 113698.18 172927.31 280590.24 181492.9 103676.36 173673.37 270482.74 385193.88 188743.22 195055.29 193090.8 197810.8 191380.43 191530.39 191512.36 207226.64 194552.62 Pemetrexed disodium hemipentahydrate 3220.18 3676.21 1501.35 870.69 1078.87 5565.67 2191.72 3011.2 4673.59 2590.45 2026.25 3006.69 1454.54 2500.32 3295.16 3963.53 1510.79 5359.74 6306.94 8963.38 5056.91 3231.82 534.04 2389.53 3719.78 5642.11 1073.97 2333.09 4517.46 3011.08 6633.84 4359.68 484.85 1489.69 1629.15 3553.72 4744.44 4541.84 1790.84 1715.31 6244.53 4296.76 684.53 2216.54 7355.8 3693.05 5043.96 1888.42 3190.17 5268.92 3823.45 2092.17 1928.89 2160.53 3149.73 2555.43 493.75 1304.63 3728.39 2594.85 2230.94 1137.67 3308.61 2453.75 1663.14 4573.78 5781.04 2050.25 1108.24 3559.08 4444.58 5075.42 2890.94 910.32 1567.45 4098.3 4315.76 3971.22 3967.73 3980.5 4209.41 3990.09 2621.12 4200.26 Vitamin D3 3167.65 8582.1 6354.21 7148.61 8763.64 9257.97 7952.66 8789.13 18949.74 7020.61 8912.01 12358.66 4028.7 4056.06 18945.82 2940.37 10215.82 10369.45 6243.37 26649.31 8852.35 10693.72 6519.02 7727.16 539.35 9526.09 8096.05 8487.71 13933.9 4958.12 1467.32 513.09 11242.95 6589.86 10839.46 6831.56 8157 8597.79 8064.65 12902.71 10560.4 10339.08 9247.36 6040.53 8443.09 6699.87 8344.98 25734.63 7558.58 12113.94 8777.16 10720.43 6236.6 9157.13 9234.27 10968.35 16573.64 9645.22 7504.54 29513.15 10189.37 2332.16 5893.82 9924.83 7797.16 8756.71 14302.94 5719.46 3565.18 9171.07 14031.81 8624.97 14027.89 12275.29 10343.74 10329.11 10610.74 11021.75 10703.85 10048.9 9570.43 10577.35 10670.73 10720.65 Medrysone 3406.01 1470.43 5929.09 5058.14 5239.49 7049.47 3629.89 16306.55 4096.57 1629.06 1170.08 17735.3 70496.01 4006.92 1621.77 6755.27 3720.88 5503.58 13245.25 3873.03 1754.41 1179.26 10413.78 1118.63 1485.1 1239.03 2557.79 7326.8 2961.49 3207.94 3673.77 3695.12 1266.65 6989.57 3698.77 10382.61 10767.82 7137.57 10968.55 2282.06 7276.37 12296.45 8253.97 2753.53 2117.4 10773.63 7263.12 14136.94 13040.1 12950.43 19159.27 17932.7 46488.82 9387.9 3922.43 3084.83 38624.6 9501.25 6318.21 5824.78 7089.04 44974.18 5491.83 8846.89 3031.53 9713.32 8579.95 11190.56 9276.47 12599.83 5015.52 5291.4 8488.51 10976.15 11118.29 10413.47 8891.96 8023.39 9189.35 9042.94 8360.54 8907.99 9043.23 7995.65 Drospirenone 1148.42 1030.57 324.54 10082.22 76271.83 81504.87 39696.99 586.36 2328.05 83.53 891.98 63.68 3965.92 1500.37 1551.9 4078.23 1616.53 393.04 78.84 2143.5 2146.59 106.28 1516.29 57.7 657.32 1419.81 869.71 67.21 1503.4 141.87 119.09 18870.02 73.09 295.21 1436.19 96.75 188.45 1040.65 73.36 118.59 20968.2 2072.12 83.48 68.48 152.94 4795.68 62.21 104.99 185.74 175.87 1580.13 106.09 198.39 681.99 1219.03 1207.31 71.53 65.78 65.39 3855.49 71.39 683.61 63.59 117.96 53.27 872.35 52.07 91.3 53.22 65.75 46.54 207.78 72.59 68.09 70 7038.58 6987.87 7038.18 7039.79 7062.54 6967.27 6990.93 6987.15 6917.77 Nb-p-Coumaroyltryptamine 8956.57 7068.9 1108.36 10933.43 37627.14 16685.04 19008.54 12489.01 8473.25 8629.56 5568.46 10497.74 12923.2 3245.84 7361.52 20516.37 445.76 4053.03 11794.6 5941.37 10302.03 4343.1 1370.51 3143.38 12215.78 6753.12 9805.86 2620.46 5633.25 9624.61 12774.72 14274.83 2956.54 10384.64 9525.69 8103.14 3784.85 5505.37 6439.21 5627.6 4070.62 13016.81 7184.18 6209.03 10718.77 15652.78 6755.85 5888.39 12169.89 16251.18 18666.17 7688.04 14265.95 15983.17 14935.23 6142.37 2543.46 2962.6 15168.31 12592.15 6021.1 9859.92 8319.27 1427.83 8056.1 18474.6 9418.29 6339.53 7909.27 9441.51 5631.52 8463.59 4325.84 11047.18 12915.72 12026.51 11539.13 12034.23 11984.16 11996.89 11701.35 12040.23 10830.11 11997.27 p-Coumaroylagmatine 34177.28 58333.81 98697.72 39347.65 23220.97 91018.62 49107.24 24235.06 47816.35 31358.8 18406.02 16528.06 43042.56 19614.7 63659.11 48139.31 49900.76 4342.94 58079.45 30910.33 29143.97 136978.34 74651.98 41473.73 51792.32 42795.05 58276.18 77078.37 68519.08 28352.77 25967.84 54970.54 106012.9 86574.69 140824.62 34434.3 21787.39 147359.59 35658.37 30203.19 41490.75 27527.41 74031.87 57532.23 62285.59 37750.63 84975.77 36952.16 51097.84 77565.96 16802.33 72583.49 47914.32 54560.07 26607.64 54568.09 48186.84 96701.23 55001.83 73171.25 64691.78 53020.45 52111.15 55160.62 51299.31 23111.22 47558.39 33753.92 50831.14 30826.87 51617.29 47881.61 52020.38 54097.7 50376.39 52479.96 53392.28 51848.42 52494.39 52202.71 51822.3 52499.54 51836.69 51247.93 (4Z,-7Z,-10Z,-13Z,-16Z,-19Z)--Eicosahexaenoate 2083.72 2659.44 25993.68 3424.31 5763.77 3220.8 2571.95 1566.54 1741.72 2467.41 4142.05 5571.76 6079.97 2403.19 3527.72 6064.03 7463.43 4021.63 21486.7 2948.13 4263.09 1166.71 8187.82 4455.06 5895.01 2666.68 4287.57 2247.46 11050.85 2653.4 2498.38 4654.05 13431.8 5548.8 8041.26 4679.73 1797.08 1941.05 2747.48 1115.84 2442.54 949.55 6288.17 1480.63 1132.64 4208.15 5951.9 8691.8 19805.14 6173.57 3265.05 6646.88 2164.56 7254.77 5875.82 3209.35 4823.6 2438.54 3150.93 2980.16 6105.43 4768.48 4616.66 9294.27 3785.4 4552.23 3761.89 2819.82 1568.31 2435.56 2871.54 3684.57 2466.28 6775.9 1682.42 3299.67 3485.64 3569.99 3650.33 3220.26 3431.58 3641.37 4018.13 3420.69 Doxylamine succinate 16859.32 1264.55 1111.1 17882.62 4619.86 5406.91 43895.96 22233.61 14930.95 23111.79 19016.17 37124.25 1324.89 20068.71 7145.72 33136.56 20062.27 1183.82 1739.46 30711.72 5839.13 10471.74 18519.1 26115.49 34642.74 2744.45 20245.59 21507.03 3793.99 24653.01 20131.75 37562.54 1207.06 23826.69 20026.32 20791.35 15888.57 3037.84 18544.98 23249.53 21140.77 24853.19 43211.83 20628.38 8767.76 40131.33 23316.48 22880.61 16098.76 31521.03 18260.59 8352.52 22889.89 31428.04 15165.75 8638.81 17051.43 7728.86 9205.41 6202.97 16294.24 9387.55 16295.85 24178.19 20419.96 16002.81 16039.95 26840.97 22672.72 22379.98 22991.58 22844.33 28228.69 25430.7 40768.02 23360.27 19185.85 23113.39 22968.17 22865.15 23101.73 23007.85 21890.53 22067.96 Cyclopentolate hydrochloride 1327.21 1931.04 1667.38 2963.94 1551.24 4164.55 2658.91 7337.68 4611.79 830.31 2300.18 1246.64 1640.6 1277.1 1893.45 1898.46 1260.15 556.86 5046.52 1633.1 1284.21 1010.06 1194.28 1749.61 753.76 1080.38 1117.05 3315.32 2600.35 1098.08 1429.82 1866.3 1537.39 2658.63 1394.36 4550.04 838.39 1341.66 1224.89 3838.54 616.63 2776.01 4238.6 1100.11 1584.62 801.89 782.64 905.02 3426.27 2115.67 1925.3 1785.39 3972.94 3369.84 1907.58 1668.15 1546.1 4563.55 2149.75 629.06 2272.21 1080.76 2208.78 4445.47 2121.53 5615.3 470 2200.72 863.42 2358.55 1316.65 954.13 2943 2166.33 549.47 2312.74 2242.17 1730.77 2503.91 2438.93 2628.93 2556.18 2028.36 1972.25 2-Aminobenzenesulfonamide 3018.98 7342.32 5139.89 7848.19 6594.54 7790.84 10173.71 4208.89 2133.15 7907.82 4309.26 9495.87 12345.59 9179.21 7048.56 5428.51 6327.16 4374.52 13082.23 2078.17 2073.38 7541.61 8256.01 11071.31 3442.77 2137.45 10400.98 6616.8 9477.69 1518.46 1124.46 8374.11 6625.84 7991.57 7822.46 7263.23 3118.32 4026.34 8195.44 6909.15 2111.25 4967.34 9628.84 6687.26 4592.29 5828.24 5469.6 13629.43 6935.85 7137.18 2965.9 7480.53 8772.16 8835.16 3586.7 7160.32 2401.69 3615.65 3636.53 3823.76 11201.86 12234.89 3147.3 4622.72 4521.64 8289.57 763.25 8085.02 5959.96 3353.1 3042.16 7670.79 3006.16 9419.77 6381.32 6665.58 6476.77 6421.27 6305.81 6448.54 6439.79 6497.35 6493.01 6439.72 Moracin E 63810.87 34794.73 10041.22 11346.41 33277.2 23769.47 14049.2 72582.4 70081.05 54802.18 17931.1 31962.96 19445.23 24650.02 38435.79 28249.94 17596.35 38885.73 38979.93 39995.85 49457.51 17918.04 17241.99 17988.52 66606.48 54210.16 37070.28 51307.49 74883.27 40193.67 66012.88 44134.7 28754.91 19126.04 17262.93 70419.99 45013.23 27668.81 25521.79 27751.1 55847.77 76068.24 17206.51 18103.86 62705.84 24770.2 69064.57 31389.96 60348.66 50361.24 45653.99 25346.57 17856.64 21739.3 41104.12 25396.25 8082.76 9799.12 38314.22 15871.11 12972.29 14886.51 22665.48 18709.54 24075.58 46302.14 28981.2 42544.48 43503.8 49874.72 58576.46 38043.55 33122.28 19150.27 21824.05 39156.08 39272.91 39271.85 39272.71 38559.92 38980.7 38987.21 39123.89 38980.87 Enoxacin Sesquihydrate 2820.85 787.29 3828.83 5069.84 12736.78 11400.82 25216.47 18653.64 24342.75 14070.46 37170.53 18444.41 431.72 18675.17 20043.53 37529.41 24103.44 4092.97 19217.81 4169.81 20895.85 10173.22 6165.44 22225.67 857.38 16665.23 19019.12 19078.41 14557.74 8334.09 16063.38 21761.36 1508.29 18953.01 23401.69 1903.37 16127.64 5211.45 17454.01 20243.33 6485.82 17316.27 27239.54 26266.01 13243.24 17109.88 12631.74 26766.49 14287.07 30195.58 2507.08 9382.74 26420.32 21151.37 12663.83 9838.02 10516.75 3217.63 16661.33 8367.89 20509.45 11539.83 11695.45 12391.95 19619.27 18940.26 28218.69 20971.89 31043.8 18732.34 21148.63 18332.79 36189.79 15323.16 28376.6 21118.44 17699.29 19901.29 20870.13 21811.2 16738.55 20969.95 23172.7 20890.8 3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one 69618.62 168874.54 91549.15 80871.49 69675.42 105372.68 72528.01 70860.2 58676.79 82314.53 54889.12 59856.48 84055.54 48201.44 107345.52 83301.91 133398.23 58537.26 145035.44 65131.12 81492.75 48324.42 65607.51 148816 86015.58 84403.83 149975.11 122535.48 186993.23 25078.93 12164.1 50501.94 115224.62 108583.97 108449.14 81531.2 56965.75 108561.78 79874.32 99988.03 47761.7 64473.19 109434.44 89873.31 87512.37 62953.57 122924.02 125781.54 93204.14 114538.04 47655.66 122141.21 86346.06 115531.24 54407.2 196319.65 68849.6 88308.36 118440.09 108762.1 95343.08 73298.13 96588.89 116384.13 73546.76 77534.48 198536.96 93538.59 85606.18 77996.65 109753.45 105098.99 80891.6 122192.65 83917.35 91097.89 91413.84 90882.46 91181.87 90881.26 90882.79 91414.26 90882.06 91425.45 Isorescinnamine, dihydro- 264221.14 196331.4 46487.35 43746.47 947632.84 355803.51 85621.69 343822.82 221897.71 230818.13 113556.8 345890.24 62306.41 111704.69 298026.52 750249.67 135059.34 369004.33 503128.2 263079.24 368653.45 196176.24 156212.78 175797.51 384605.72 282565.53 169875.26 165923.62 486773.35 209953.49 297692.05 1515387.68 241735.42 118380.71 143995.12 328565.21 470458.74 197718.26 59403.33 92633.02 211137.74 765398.54 151227.79 43441.87 757236.89 97677.19 242398.49 224916.52 137713.39 645704.69 275411.18 283261.6 138190.43 156813.14 384300.87 232503.57 39545.06 59326.58 772543.14 216610.73 77525.81 79452.57 284820.15 200813.32 106566.09 637227.97 214764.81 119516.25 133596.16 361745.24 119445.47 261402.45 205870.64 116860.06 95981.62 295907.64 297180.03 293538.51 293631.48 295922.9 293561.07 293562.13 294254.21 295977.67 Tetrabutylammonium hydrogen sulfate 2828.85 2785.9 2526.28 2752.07 2756.4 2181.45 1801.03 3207.08 3215.33 2758.16 2364.08 2178.81 2042.92 3250.26 3242.7 2233.46 2675.91 2466.11 3322.12 2522.92 2218.08 2824.15 1858.85 2827.25 3082.55 3485.92 1943.39 2245.66 1976.87 1817.33 1306.26 2429.8 1041.08 2651.77 2337.62 3029.67 2704.57 2489.6 2293.96 2511.55 2396.13 2888.58 2556.59 2245.06 2410.99 2451.21 2689.48 3172.19 2476.94 2673.3 2369.17 2693.2 2449.62 2364.53 2222.74 3110.34 2412.17 2375.8 2801.38 2468.35 2856.49 2377.28 2572.44 2375.22 1860.03 2471.74 2679.87 2940.06 3377.76 2900.41 2264.49 1947.08 2936.15 2516.58 2568.28 2632.93 2703.36 2639.6 2676.81 2296.13 2629.25 2730.53 2729.97 2801.38 beta-Muricholic acid 1245280.69 1502170.96 1847932.05 1423933.47 1961488.22 406846.15 1804034.28 2084758.14 2220392.24 1521453.84 1358871.07 847213.84 1299781.17 1275813.99 1581695.63 1818224.76 1309190.32 711568.36 3317470.26 1366832.11 1887953.86 449225.39 1959511.01 2177769.28 2131364.61 1053806.11 2201985.92 1352468.46 1837098.06 530611.25 556952.09 1900619.87 1042097.76 2002977.92 1798507.09 2476494.42 1550472.94 345738.79 1628908.14 1074863.88 792256.34 1364946.05 1930521.58 788377.95 1488679.64 1451552.32 2180024.34 1978639.83 2893969.72 1769968.66 1487093.46 1833720.42 1669385.48 1865477.71 1985034.68 1425047.5 1357993.71 1038988.54 1190064.64 313039.89 1702423.66 1442720.52 2612287.84 2041848.55 1111977.44 1740855.42 753826.37 1494647.38 748244.16 2506131.12 1691169.21 1641785.4 1263865.98 1207219.66 1686636.46 3922.98 7111.83 5393.69 4300.99 2459.14 6423.66 4894.2 4695.71 2490.8 4210.34 3958.41 3986.84 4377.39 5835.5 5272.09 7391.65 4355.2 4714.99 5555.74 5219.19 4953.6 4970.66 3029.74 6865.97 3582.44 1671360.06 1671361.32 1671244.29 1679091.78 1671719.08 1691349.56 1643753.87 1686247.12 1680918.06 Biocytin 13663.57 11284.73 1476.45 2696.73 25789.19 3120.48 7201.93 24477.54 29899.87 10438.42 7547.53 12006.28 6730.51 7726.05 17807.47 6201.89 3645.21 8446.39 10910.35 22633.2 25312.62 12560.2 3672.43 2386.77 23620.59 16821.03 2550.9 6982.49 14807.86 3339.69 16048.34 7219.62 12494.88 5409.14 3605.76 13781.1 20596.54 8410.91 3479.16 3609.96 19289.45 29942 3776.7 2240.16 7874.61 8748.76 17022.21 5349.64 4265.8 6231.23 20593.66 13244.38 1822.46 4484.6 13648.27 10471.45 2711.01 1832.62 17212.03 4349.88 4023.59 3824.51 10462.93 3083.5 4291.37 20457.25 22860.99 4541.59 4699.56 19926.37 14525.4 5285.35 4633.93 3589.6 6153.02 10730.92 11995.67 5160.03 10937.33 10289.59 10957.03 10836.12 10363.02 10939 Mepiprazole 3811.21 4925.61 9663.47 1117.01 3592.95 36409.98 70770.73 3253.25 7904.77 9625.32 6224.6 7308.14 9213.9 10365.38 2630.61 9240.65 9783.76 10452.88 8172.28 6807.05 9750.02 8206.51 9853.88 9746.75 11441.05 3619.98 10128.56 10684.48 9524.28 10575.51 9908.83 18589.07 3733.91 10215.89 8989.83 10998.87 10242.14 10563.98 9512.22 9640.8 20867.68 11044.71 2868.23 9593.91 3714.86 12020.46 4255.78 8357.91 10278.66 8990.44 8828.24 2509.22 7836.45 10224.1 3990.12 10190.98 9388.55 9228.49 9009.63 7103.3 7399.06 8601.89 8893.61 8982.08 9216.37 10028.74 9087.63 6098.81 9700.7 9139.69 4962.1 10668.98 6679.68 11465.68 13012.38 4288.71 17625.16 6332.56 10449.0 6124.6 5697.71 5330.58 5756.5 6498.35 10674.73 9508.3 5659.95 4577.65 5883.63 5978.43 5269.03 6123.56 6129.71 4039.03 5870.47 6149.65 6048.52 6017.03 3407.92 6469.34 19942.95 20508.94 20473.47 20430.46 20641.42 20309.49 20315 20340.28 20328.64 (+/-)5,6-EET Methyl Ester 269912.52 287561.08 74343.44 182851.12 210552.45 172751.46 192838.91 185235.95 162175.14 100119.99 95802.03 86524.1 100501.79 156253.41 228105.27 257282.43 294787.52 225931.95 221519.88 279643.01 129608.06 133435.43 46551.23 119056.16 194921.06 179639.18 177683.99 108056.66 91482.81 96643.65 143121.06 165752.57 106641.49 57907.7 148294.07 180103.26 219237.26 77579.2 54458.43 76726.76 158726.56 162104.17 85065.28 222417.99 154178.74 54468.84 238797.63 194095.57 89850.15 141381.69 76659.71 90725.7 41595.08 53107.83 230987.21 170455.8 146122.5 103285.79 155480.56 108712.86 122107.76 107054.59 182275.6 70231.6 75041.67 147127.64 133914.48 301888.07 278960.07 273951.31 168885.16 186140.55 78406.84 112009.61 220219.18 148824.47 148282.07 149601.94 149607.25 145782.67 148825.87 149359.95 148641 149004.17 Dulcoside A 779.98 560.96 257.72 494.48 1043.15 1867.09 938.4 791.2 502.07 990.02 508.17 304.72 3568.93 1452.29 2280.19 2183.82 3681.24 968.72 248.73 532.8 694.56 4850.51 2444.6 1702.24 558.98 4679.44 494.4 469.4 648.26 529.36 1463.7 1910.81 355.8 14581.15 12337.96 425.18 1779.02 14339.73 1517.11 1416.69 2209.44 1297.43 2419.81 4283.91 1666.15 1700.69 8764.71 8053.81 1535.02 2012.79 2134.36 12541.84 4862.61 2937.8 2321.2 15060.59 6498.33 6753.51 2810.8 10398.27 4346.38 7946.47 652.87 5047.32 1631.63 598.46 706.35 1451.94 3475.19 1863.54 260.19 12074.64 1355.54 10469.25 4132.72 5071.64 4988.9 5126.02 5627.3 4841.29 4957.49 4985.81 4080.48 5120.06 15-methyl-15S-Prostaglandin E1 5667.23 8462.17 24768.11 30184.13 82296.8 46502.71 44226.23 4815.81 6230.7 13124.74 7861.77 4545.64 25862.81 9617.9 7901.39 21221.08 12148.01 5848.83 8582.9 2039.89 3015.86 1687.11 7004.27 2827.6 6992.41 2807.06 3539.83 9477.82 7665.16 837.4 769.2 5729.56 847.76 13316.83 4671.38 3648.64 10081.92 10701.73 1742.36 11376.21 35208.87 5065.1 4538.07 2585.22 6514.17 8114.93 4472.37 6945.36 5553.93 10991.66 2538.65 9114.74 12430.72 12152.74 3597.14 6356.76 24229.82 12173.25 8192.48 13864.96 11943.45 12238 12614.54 10090.48 9384.78 6398.36 4411.63 7613.36 5795.24 5944.65 9229.74 4124.17 8157.47 12365.54 12891.61 25361.45 29205.35 26347.28 24386.75 26205.63 26387.62 25719.98 25350.31 26301.89 Oleoyl Ethyl Amide 9870.86 8042.61 820.43 4464.56 16715.79 16314.02 10578.73 10014.88 4663.89 8858.81 9093.74 15442.73 23873.48 36623.29 14206.97 3183.65 7044.7 26408.39 11574.27 36556.96 16855.67 40995.51 15207.23 3915.26 8054.13 5834.93 5562.66 8122.29 17207.06 8902.37 26318.41 26030.28 9991.08 1945.05 6830.15 13638.15 5416.27 4398.54 5413.75 7710.67 21709.43 15628.36 16661.8 13368.89 27872.13 2460.07 26107.94 10294.65 17305.11 28694.24 57758.23 14981.85 7385.25 14986.33 19325.78 8211.69 11419.54 8377.41 7606.5 7021.37 5953.14 10858.52 9634.06 5017.62 13784.23 6834.95 20525.57 13711.51 12960.08 8631.08 3900.42 4456.43 7219.55 6919.93 14982.96 10855.53 11065.46 10820.01 11109.82 11106.75 11660.42 9389.25 10829.48 10832.74 Pindolol 68020.21 68301.63 69453.7 2817.19 56897.99 11740.77 1743 64903.07 63634.5 83298.91 34385.61 56320.91 44386.07 78824.67 67984.52 76016.17 71451.99 72163.96 71937.48 56170.02 69664.57 34834.6 65688.45 78700.03 75362.91 44370.2 96226.54 87576.99 68707.58 96581.6 63601.94 66005.09 54317.9 66187.96 80596.85 78537.96 66792.98 61032.02 76676.31 94460.49 57654.57 69120.01 92946.17 77794.59 61102.01 37903.68 61341.15 73401.06 81769.53 59717.2 67341.33 44619.33 75399.18 61115.07 81522.27 68514.39 67133.53 70482.88 69546.33 40163.26 75155.97 72673.51 63154.8 74475.18 83377.03 69964.54 59939.46 83562.31 72405.55 59059.04 59806.87 73148.01 64492.17 63322.11 58901.47 54722.32 41853.37 56474.28 56545.61 58836.01 55502.09 52096.06 53128.57 60922.05 59490.19 52126.76 51420.45 51586.65 50681.01 123568.13 46859.69 59557.86 51227.83 48921.13 53377.51 50812.38 53505.4 54607.03 50729.18 51268.33 56819.51 56822.5 56643.6 56954.75 57468.57 57426.98 57334.34 57332.74 55197.85 (4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 692.95 628.04 428.39 3275.9 33205.92 8412.73 10303.52 1012.97 64.36 755.12 671.19 63.24 2081.21 630.35 73.36 957.84 78.46 435.63 129.93 137.07 107.56 341.69 323.85 535.87 128.61 845.84 513.17 98.3 393.45 73.49 193.81 120.88 288.02 822.59 665.78 492.83 688.99 113.04 873.69 133.87 8977.05 1913.37 124.55 147.94 433.93 1147.7 176.83 173.6 327.07 204.95 421.92 294.49 134.11 226.3 1079.53 226.84 189.98 880.31 420.77 5341.42 75.05 333.82 118.9 234.64 548.52 615.98 452.51 112.78 227.76 642.91 799.89 796.02 376.67 703.34 275.5 2760.08 1902.37 3260.95 2898.71 2835.51 2939.28 2160.0 2405.03 3814.98 2594.09 1505.73 2854.77 1721.29 1969.39 2311.59 1936.72 2190.45 1061.34 1979.62 1914.48 3300.78 2493.87 1826.1 3193.26 1149.39 3807.02 3800.99 3604.63 3531.07 3725.26 4168.6 3304.46 3526.8 3477.5 Ile-Ile 4542.54 5727.91 4332.33 5173.8 20676.35 12077.28 4669.16 1083.34 20251.91 3272.55 2748.16 3184.6 6059.48 3819.19 22895.21 5010.98 2831.03 6858.24 5205.34 6612.83 5194.36 3377.53 2652.2 3384.81 12827.06 10792.1 7102.61 3844.12 8690.25 3052.57 1647.97 3351.42 10481.76 6070.19 3221.21 5545.96 7346.58 3894.72 3243.25 5229.09 3219.66 7163.52 7114.43 2075.9 5393.62 5509.71 6205.52 2889.37 6206.55 2957.17 9783.2 3550.03 4766.63 8641.55 7849.58 4775.97 7047.5 6449.98 6746.74 8257.99 2372.95 2940.91 7205.02 4045.94 5483.15 8058.56 4094.33 2574.44 2400.82 9625.13 8624.57 2857.31 4681.94 7498.04 3077.04 6621.46 6952.25 6468.73 6706.21 6132.88 6707.12 6610.3 6611.64 6707.43 Suloctidil 18976.3 21062.57 29830.63 23123.66 2000.31 7892.91 2870.43 33159.13 18338.34 21326.87 24799.13 13741.23 6193.22 21651.21 17887.61 22508.17 14647.77 16302.03 34990.96 14567.15 28567.04 10583.72 35186.16 25997.42 23886.24 11012.24 29758.65 20642.1 24636.31 11513.79 8375.95 25486.38 20193.82 28011.75 22959.08 29055.16 22897.53 2443.01 24881.38 17359.4 2278.99 13380.47 23846.41 5676.68 17946.77 11984.58 27004.86 23930.41 32341.74 18853.33 6963.94 24426.37 30186.57 19611.45 24403.28 18578.36 17833.58 14683.49 18683.1 9218.46 24399.05 17735.92 35589.11 23093.66 17086.4 22578.48 6092.72 23999.8 14955.49 28263.25 26308.24 23682.32 23654.07 19577.37 29574.01 19310.26 13977.78 19199.39 18105.89 17437.9 16921.35 19176.66 18449.63 18019.87 Hyocholic acid 3204550.79 3346751.33 4044338.92 3018177.75 3650896.68 830434.4 3567487.69 4477387.22 5701238.76 3824791.59 3341663.23 2011831.71 3301364.51 2912059.04 3844171.45 3828267.53 2912880.26 1800577.81 6461474.61 3300917.82 4077159.6 1122650.75 4599449.06 4624357.71 4707965.78 2731942.81 5340148.71 3142297.28 4067466.44 1172838.15 1343969.34 3751307.89 2790701.06 4578524.14 4009369.54 5244236.9 3500856.76 1004560.65 3556663.83 2589857.08 2042910.07 3720180.58 3891817.82 2086068.66 3753738.29 2769796.71 4376438.68 4184383.95 5695100.8 4155443.3 3325629.43 3451759.77 3560710.51 3620042.27 4067108.09 3567583.24 3123313.64 2609761.68 2775912.17 976800.58 3765292.28 2972176.72 5154331.23 4019336.55 2497595.96 3578970.31 2283976.08 3552183.03 2045276.48 5080598.75 4489180.14 4019404.4 2867889.39 2803576.35 3881380.53 6123.7 1570.28 6531.75 10651.32 9724.96 4404.46 5273.13 2515.47 5519.09 8869.28 3501.19 2716.47 9171.65 3401.94 1590.3 1362.66 4008.94 13074.46 4653.88 4540.08 4718.56 6149.29 4419.12 3806.52 5776.29 3727642.71 3706739.22 3712307.1 3706376.28 3732347.15 3727215.91 3692384.71 3716224.62 3718308.96 Tacalcitol 9841.85 14123.8 3689.54 6757.86 996.14 1560.66 4006.71 2177.34 3469.85 971.21 2827.92 10902.7 19548.68 22976.43 11462.47 6352.74 7510.98 32442.89 18655.15 30291.54 761.48 3919.5 2514.75 2819.11 494.82 472.07 2641.82 2841.09 17161.45 12350.77 40098.59 65644.22 1997.65 3287.11 2971.56 12940.36 3660.42 3166.15 2424.42 2319.05 39525.73 17002.16 4471.49 4136.65 33023.44 13400.33 16254.84 7596.26 14504.24 47566.68 10833.9 15434.75 4504.08 10898.5 8463.93 17379.4 3551.7 3109.95 4911.66 1382.84 1956.52 2305.21 9180.8 4409.48 4757.49 12600.1 24995.93 3874.16 5622.6 886.49 1401.66 3109.44 2236.32 7229.76 5322.06 6484.24 9560.08 9475.37 8570.41 9477.3 9582.83 9467.25 9476.43 9658.43 Zearalanone 2648.43 321.83 281.99 31370.17 28182.53 48467.22 60261.7 504.87 382.18 2460.16 202.04 1173.87 29897.62 149.52 3084.28 7581.77 3438.99 4041 3466.25 1586.68 2053.29 8719.07 153.44 1998.08 446.13 1281.52 5302.6 1919 3832.73 1269.4 2759.43 3545.58 2010.46 4833.18 1208.53 215.45 276.1 3129.24 557.24 1371.38 29090.54 10849.16 2065.67 2457.85 2976.97 57682.28 313.27 459.55 2270.31 5251.84 6446 1405.32 983.77 7466.01 12048.83 3561.83 379.6 1701.08 514.32 5653.36 150.78 2812.83 2715.6 1224.23 145.36 4500.6 3017.03 111.07 722.85 294.08 280.79 708.07 2280.48 2445.26 10394.09 11809.38 11809.5 11791.5 11791.04 11700.92 11739.54 11740.43 11532.91 11750.93 N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine 541.42 4581.04 4374.48 846.71 15375.88 13668.33 16178.56 19354.13 19758.9 6114.5 19054.9 38198.18 19024.16 16422.46 11215.52 17991.41 2081.85 12802.33 26626.25 29807.69 14662.32 2418.44 11951.33 12392.4 13769.23 786.6 12073.39 22500.18 17311.47 22442.54 23258.18 26482.02 5784.66 12011.94 9742.81 14018.02 2266.59 8351.65 11715.55 11549.72 25729.21 13663.35 11302.03 8018.52 9915.38 18821.57 10810.15 22504.17 18676.62 31269.29 14097.33 2222.72 12249.54 17290.6 8451.71 4559.46 534.99 1003 10843.73 6930.64 8670.17 3634.25 7820.85 10787.84 12220.85 14365.93 4597.39 17313.66 16344.31 10244.77 9629.47 9236.63 14098.08 5095.34 16543.12 1956.54 9350.84 7933.18 6275.16 2862.11 9098.89 10842.51 13107.66 12769.23 7479.45 9597.45 7436.86 7895.71 6731.25 2425.27 3050.74 3107.64 2839.55 6732.22 12671.15 8498.93 9273.28 10221.86 6354.86 6540.5 15134.84 15134.35 13866.3 14482.2 15135.08 15138.33 14909.07 14915.39 15142.53 6-Keto-prostaglandin F1alpha 2474.25 2217.9 14912.65 21951.08 6543.54 37447.25 48775.5 2815.24 2236.99 238.23 1226.4 1793.43 2644.02 1504.5 1079.59 98977.72 17067.35 249.65 1822.12 3701.4 3586.17 501.57 551.31 1993.72 788.85 2096.13 657.12 219.1 3025.95 984.05 1688.68 20571.83 264.66 3332.97 6951.8 2702.16 3595.91 2740.27 1122.54 5189.21 8779.28 733.88 3760.94 823.3 2842.95 19975.99 2912.25 2651.48 2445.74 21743.16 4645.32 4099.5 4841.53 18303.36 1639.39 5471.99 35986.6 8954.69 666.78 27101.31 11178.96 4653.21 1082.69 17609.23 3980.59 6107.78 1270.85 446.65 1952.05 3420.62 1604.63 384.67 8994.79 24551.53 9310.54 10670.94 10529.51 10662.12 11219.19 11807.06 10942.94 10758.84 11157.65 11137.05 Methanandamide 69572.11 38128.88 26483.09 12741.24 36901.95 18598.85 11972.63 15912.75 12576.83 15867.14 13552.77 15949.4 16581.28 12401.35 7828.23 17208.69 8706.69 59766.53 205432.18 16845.66 7117.01 21911.63 6031.31 7584.7 118931.29 78494.22 44765.71 110357.38 15447.84 15123.86 18245.4 30022.83 6710.25 18043.83 17562.72 16392.74 84026.7 60674.25 46629.92 79162.13 17888.95 13454.87 5514.74 6167.86 147674.44 97348.81 7402.16 4863.6 8071.05 11635.06 17740.65 4770.11 6799.11 9651.75 9125.52 4589.76 4829.77 5108.7 13305.05 6778.44 19463.64 7132.29 6125.33 12036.54 13989.69 15256.73 13630.01 13173.36 8399.04 5568.15 3565.29 4757.05 5389.53 9487.1 10514.41 25571.61 25795.17 25567.21 25661.76 26349.63 25578.04 25787.92 25795.93 25551.64 Estradiol 833.25 279.53 135.52 18257.97 33636.42 62087.68 39070.55 148.82 85.16 551.14 663.05 770.13 16087.12 905.63 331.84 2719.61 978.51 838.25 1382.94 144.08 778.91 3507.69 1210.74 98.2 347.98 449.23 1511.5 218.17 1024.79 246.17 203.18 1143.78 373.03 1721.37 115.5 654.06 523.99 1754.71 288.33 769.08 21969.55 4249.99 1108.46 88.67 970.67 31805.52 708.74 1333.63 880.8 1590.41 2958.87 215.2 109.22 2574.48 5059.95 71.61 1585.81 801.09 264.43 3156.63 917.27 1587.18 405.11 1784.77 432.1 1661.47 1000.95 497.47 84.93 402.09 450.23 102.26 455.11 143.12 4061.11 7449.54 7436.72 7467.47 7539.05 7444.91 7633.36 7449.2 7536.17 7540.8 3-Dehydrosphinganine 16259.2 59816.77 52013.45 2768.41 7468.63 55364.52 3101.31 25169.63 30092.89 22749.57 14444.48 19730.21 23490.33 11854.33 38451.43 25488.91 44103.57 30930.18 25043.71 27762.43 20684.57 22198.59 11817.65 3109.02 15795.27 21518.16 18842.64 15710.12 21013.95 96205.94 16871.2 7372.35 24419.83 39589.52 25913.77 21338.95 23546.61 24938.4 14449.7 51281.47 44535.28 27000.99 27169.99 23025.54 16483.46 14774.36 21074.67 33505.09 1679.36 23295.29 7963.3 15886.44 17674.6 23173.65 23437.24 43699.66 52352.15 54569.42 19193.12 36414.33 30307.75 22981.41 25420.38 39759.3 34026.84 24841.54 48043.28 23790.87 30629.04 29843.33 36670.23 24593.87 17548.98 49874.97 40634.98 25593.79 25425.97 25591.62 25429.68 25425.93 25538.54 25591.76 25596.88 25694.25 Alfacalcidol 15527.23 10386.3 18521.01 8083.12 16372.98 6196.57 12427.42 36091.35 31088.94 21557.46 22641.31 41813.01 17213.88 48539.13 49484.3 10031.97 7274.03 30844.46 38792.34 42893.18 49165.37 23190.92 31010.03 12622.31 38314.41 20241.06 11821.2 31957.78 17210.54 30383.36 44827.12 19767.65 26254.01 22519.43 32500.46 14026.29 33960.92 30684.93 34714.93 27802.66 39704.67 49091.7 34673.32 25259.67 46965.99 10132.82 42645.34 44803.86 14225.14 32773.99 30024.78 37489.45 25773.92 36212.76 5642.61 31141.76 31861.05 6931.57 45510.93 28059.07 33241.26 7277.57 28632.93 16032.17 21682.49 36184.51 15881.47 33848.24 33755.77 43634.22 38206.16 51404.75 19359.29 14439.83 11821.52 30277.68 30737.09 32227.77 27012.42 35051.45 28462.86 32071.18 30288.9 33252.35 Sorbitan, monohexadecanoate 2022.15 2526.28 3177.58 1475.21 2638.87 8342.9 2581.98 1136.38 1941.18 2159.39 1622.67 1913.34 2291.99 3538.98 2351.04 2418.48 708.87 4239.4 5256.39 609.67 4393.6 2818.95 2701.21 1026.42 1357.89 611.48 1862.17 797.56 4252.9 2347.97 4767.35 5068.88 1106.74 1833.24 1579.35 3672.46 2587.05 4252.75 1817.25 1791.92 3196.42 3772.59 1646.52 1143.39 3461.63 1792.6 2187.35 2576.21 2706.45 2956.86 2090.13 3718.59 4139.65 1972.8 2179.16 2558.54 1558.18 884.89 2060.88 750.39 1658.12 1293.17 2626.72 3222.25 1627.41 2218.75 6226.34 1606.75 1668.69 1748.21 2140.05 2413.01 706.15 2122.24 1169.43 2209.5 2062.24 2059.05 2108 2063.2 2090.52 2110.78 2109.08 2059.02 (+)-Penbutolol 9918.78 11978.33 6764.53 6944.14 7269.64 14420.01 22127.23 6340.56 6202.97 6061.19 4346 8824.47 13429.72 9394.49 7997.1 8019.3 4315.83 8327.72 11441.03 14603.34 6047.64 9295.41 6787.56 4300.8 5131.95 5046.69 5134.31 4699.98 9288.45 8403.23 10599.61 16589.01 5084.53 6910.41 5074.38 6826.97 4648.04 7007.24 4852 2112.44 11238.36 13001.23 4650.12 4311.95 11173.44 16155.84 8499.03 8526.18 11046.93 20438.69 6879.61 10329.79 4547.86 4907.11 5803.96 8556.88 1962.32 2283.37 3632.18 3902.78 3094.58 5059.91 5883.69 3502.17 3568.32 8996.73 12650.91 5145.7 4448.01 4960.42 7098.92 5795.96 2574.08 5265.9 7234.7 7689.55 7908.77 7932.81 7963.37 7907.09 7909.14 7910.24 7963.04 7964.47 5(6)-EpETE methyl ester 66935.37 90653.63 128697.57 200017.18 134907.54 172945.86 89533.4 56539.51 57160.05 65465.86 57383.87 45276.75 158138.3 111425.69 89197.84 171954.94 256295.3 100548.86 94337.96 80682.12 101486.99 66105.39 46424.45 86510.05 58799.02 53435.13 67179.32 53749.09 53309.88 77042.9 95032.41 95968.74 64378.1 65507.84 130679.02 83503.13 55476.18 53844.83 41485.77 96951.15 90280.23 45829.72 69959.38 116692.59 42186.05 27664.31 67655.5 64573.89 29137.13 93720.2 31117.02 38135.12 69582.11 90767.42 97814.7 117715.15 256660.31 115039.14 49257.73 120619.98 94075.78 126463.76 86284.97 113275.59 59443.46 88323.24 70220.64 88045.9 131001.78 81889.29 63748.77 58606.37 72242.16 66720.06 120382.16 92328.69 94898.33 88661.34 88669.59 89134.9 94221.73 91385.95 91157.77 86848.69 Drofenine 8268.89 6211.3 5643.74 3810.2 3575.66 4030.22 1281.98 3657.87 1406.79 4626.9 5402.66 5784.11 3740.47 7687.48 5280.17 3564.39 5717.23 9058.33 4345.19 10495.82 10157.25 5498.04 5689.25 4264.47 1608.43 3201.13 7647.77 5486.45 4028.51 5052.03 2277.27 3181.46 6615.46 5709.67 5369.46 4999.43 3689.27 8428.38 4542.05 10240.59 2740.52 1414.22 3146.04 4568.55 886.05 2447.7 3667.05 3884.43 3436.74 2374.27 1760.03 3239.55 6867.3 2789.57 6251.07 1135.54 2828.35 4963.36 1611.07 8482.23 13931.81 6247.06 8674.53 7333.13 2835.13 5990.77 922.55 4004.28 7900.85 2031.84 5692.8 5282.31 1993.13 4279 3198.66 4321.04 4334.43 3860.6 4158.5 4357.15 4171.7 4156.33 4449.88 4089.92 Arachidoyl glycine 22735.52 20453.6 20351.02 14250.43 8793.47 16060.52 6550.28 20523.15 18776.54 18350.94 11997.63 9614.22 10029.71 13739.26 8512.81 8356.79 14944.94 11257.92 11191.6 9131.26 12910.31 11142.96 14333.09 14544.44 13903.55 27967.41 19755.96 36107.8 16560.31 20258.76 11264.71 6553.86 13594.42 14025.44 12620.69 20541.68 23077.82 34367.86 26164.94 37076.51 11553.1 9142.93 9280.12 18130.44 9893.24 1660.05 10909.44 13386.45 9719.64 17517.32 15968.94 13616.87 14070.97 11197.45 12300.94 13389.28 12809.85 8308.67 16288.32 17413.29 21911.53 11993.9 12928.7 11756.72 14178.08 11004.58 13687.11 11920.16 10249.43 12776.79 15556.68 10018.24 11747.5 8335.85 10833.66 3595.9 2653.76 3154.1 2131.25 1790.03 5150.55 1765.38 2106.63 1003.62 2211.26 1493.85 1040.74 735.64 3440.75 953.93 4849.21 7327.66 9174.59 4510.5 4324.27 7272.44 4545.5 6467.66 7271.93 5173.58 10661.07 10783.59 10786.18 10914.53 10659.66 10808.24 10543.58 10669.76 10052.56 Auraptenol 29722.02 30398.84 35710.11 29267.39 22615.03 16128.94 26237.25 47074.38 29399.58 38926.65 40345.43 27775.99 20720.94 32624.42 31681.61 29148.87 29208.57 27214.32 25559.21 29925.1 35190.96 25386.61 26313.48 30751.4 41342.27 44467.23 31766.72 30281.95 46285.32 27472.16 26285.74 33096.06 24816.45 22501.66 30241.26 27444.06 29420.18 28025.81 36698.04 29962.51 31552.35 29100.67 30767.93 31453.67 37931.06 26541.77 28966.75 31558.21 28099.21 22014.57 27893.64 31436.64 29569.83 31944.84 37096.78 27923.27 31959.69 32335.33 28769.92 35563.35 31602.08 33388.24 30848.47 28847.17 32863.85 31120.5 28413.2 30111.2 31747.76 30158.24 29028.52 30828.86 24262.23 16271.62 32128.92 29847.77 48843.6 31829.97 31242.82 34028.88 29694.8 30989.84 29341.92 30520.31 29964.71 30872.17 30320.1 32520.15 31397.58 31187.91 28097.0 30694.32 29100.63 31999.59 31278.96 31997.04 30920.94 29002.16 30120.19 28707.24 30907.67 30673.06 30270.34 30416.51 30903.43 30549.88 30911.48 30761.44 30993.23 N-methyl arachidonoyl amine 571592.83 420977.73 392292.03 508270.07 873746.76 690597.57 695689.08 671358.34 547054.72 858906.16 729177.09 676920.72 878006.58 586728.99 476788.46 808280.56 915164.6 201768.94 920838.43 875734.94 632176.11 412433.03 676620.66 668333.71 648888.03 453967.94 534072.53 526588.74 1056425.23 799448.13 623752.47 1664405.18 618454.96 1179773.42 1116590.9 802808.23 279624.57 278880.39 346591.17 384003.66 811444.21 1254668.9 689246.24 652488.92 452771.35 448841.21 1083231.58 495032.07 968458.15 1364484.55 1223299.53 561517.12 661155.83 1532768.81 534038.53 367860.81 329795.56 280796.13 585901.82 265699.77 481253.7 340727.28 416916.89 712400.99 446022.56 576606.06 583741.59 709366.15 605547.61 563304.52 352968.83 565128.33 430228.04 764837.47 986042.28 709786.57 709796.24 711140.93 708567.97 706989.19 706105.02 707027.15 709834.35 709819.43 Dihydroartemisinin 19148.21 26863.81 13067.95 23619.36 17550.12 8971.18 16856.76 21878.57 9432.13 10984.48 10974.29 16918.52 37612.9 33051.99 28914.21 20778.3 21894.9 39523.18 28223.96 8264.56 13515.83 6216.3 7521.89 27971.76 20016.99 24075.48 13821.13 11218.9 22386.75 4335.45 17677.48 67509.74 7025.29 5466.9 15956.01 36334.06 17068.41 5367.73 5841.42 18717.9 13706.63 48846.02 25630.46 21538.56 26223.17 24231.53 24294.88 18319.29 1978.12 27795.42 9670.71 27534.29 19903.39 30417.44 43071.52 55147.47 16712.12 18681.1 15497.61 10317.35 21744.02 13388.25 25628.34 10751.66 14132.02 49492.74 14723.12 16755.01 2779.64 18363.59 7973.49 17395.6 10512.2 20674.96 23065.87 19960.16 19967.08 20322.95 19674.99 19973.94 19905.1 18429.3 19905.17 19666.78 Resmethrin 16585.15 27949.51 5686.6 3364.65 16919.83 8451.33 1056.1 13967.67 15283.92 7098.94 5006.87 7690.07 2457.05 8146.06 13951.65 5486.63 6795.03 12650.82 12751.46 18492.86 13036.8 6502.16 2985.81 10827.68 14261.73 14845.73 8015.66 9548.85 14386.08 9910.14 12584.51 7744.19 4602.46 3261.38 4479.29 19644.07 9708.37 5833.97 1478.13 6724.97 8805.44 13033.99 5137.98 5286.07 10127.74 5667.23 10522.09 11166.2 4195.4 9857.36 6789.7 8067.17 3120.88 5085.82 12348.8 14589.4 3948.37 4290 9050.24 4263.74 6296.54 3263.12 11963.73 4377.44 4909.1 12298.85 18565.38 6473.13 9805.14 15571.22 8804.64 8129.42 3705.71 3941.13 3271 6276.58 6455.49 6354.54 6277.7 6277.09 6324.51 6273.58 6358.22 6120.91 Diisodecyl phthalate 61540.67 37599.17 52153.14 30858.79 38070.56 57202.26 774.8 73253.02 48533.03 66038.67 40134.68 58626.57 76512.97 31518.14 64048.17 60852.91 43439.63 30866 118546.11 71499.86 161056.26 29260.74 42639.51 26956.9 70009.08 39439.69 46546.66 39095.15 51248.62 103089.74 60236.77 78026.05 35974.27 32141.81 33968.8 65525.74 54576.25 36854.9 41727.3 32005.27 118741.12 104518.41 61558.63 77011.74 44543.66 85641.63 14730.58 93215.59 42485.75 72602.33 98878.17 9243.99 43257.01 63726.16 38674.08 32778.97 55649.36 28946.79 41151.97 53254.51 65284.25 39891.49 37892.45 41188.74 54054.98 45026.37 42389.48 129076.91 43229.74 52434.72 46080.78 58994.49 33502.1 37190.87 62418.8 69918.4 70020.14 77573.9 69997.75 72734.02 69932.2 73645.17 73804.05 70763.83 7(S),17(S)-dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 88574.4 78516.82 34191.47 39130.29 103947.76 73278.14 40304.79 107553.64 91585.61 30313.38 36850.94 54630.39 101645.33 57041.49 56673.02 41853.16 34394.93 62771.67 122154.58 35619.77 73214.28 24659.44 46465.84 47945.02 62314.59 67699.39 61311.02 35271.42 60294.35 24993.53 53926.75 73911.3 42685.83 81868.03 45772.95 130285.14 85220.62 34518.85 41760.67 29033.33 47828.71 117175.24 56453.27 33050.01 186686.05 36161.62 58500.05 74128.22 126056.46 79850.55 137690.04 89906.41 61550.72 73805.89 80241.72 62565.47 59007.49 18820.41 66323.31 23162.52 111484.18 65107.58 102774.9 62009.49 40202.85 85553.02 70066.4 38114.8 37790.13 124029.24 97639.89 43134.37 59916.14 30481.37 52602.13 68405.99 68401.04 68494.52 68804.75 69820.48 68797.44 67977.42 68752.71 68802.95 Pentamycin 758.23 3522.92 2155.74 4526.94 21679.6 22638.98 36392.25 660.12 772.32 934.52 401.8 624.21 4510.06 784.29 645.94 3959.99 512.96 254.02 1662.93 572.19 938.54 2186.8 3112.07 726.46 1339.55 325.41 896.2 162.36 401.62 304.15 715.97 1453.39 1796.3 494.48 787.03 741.34 598.39 778.93 521.81 743.86 6806.2 1509.22 361.88 531.64 1628.76 9725.35 795.73 953.26 627.06 655.14 1270.01 475.87 1078.76 1152.66 557.93 470.64 314.22 355.49 4717.38 1744.09 327.27 319.77 213.84 1140.29 256.39 743.69 975.16 1012.92 878.11 646.44 478.39 243.82 973.11 410.1 1487.58 8082.98 21508.54 8391.67 7727.42 10363.05 12914.56 6444.53 9904.38 12351.73 9494.87 8133.56 9141.82 11369.97 9411.46 10644.51 4976.7 9175.4 11323.1 17394.02 13435.34 10833.41 10576.7 8373.71 8371.81 9381.89 2596.74 2525.86 2331.91 2723.19 2733.24 2623.08 2724.44 2615.19 2746.87 Anaprel 55331.82 8722.17 12076.02 18156.39 71287.73 43449.53 8140.98 69056.59 73166.48 56692.37 34167.41 1966.01 20512.31 32057.62 58109.92 48044.32 26050.43 39792.14 46918.15 73304.12 71000.75 2807.31 19074.69 27046.94 2450.89 53931.6 25785.9 17554.93 59558.89 1829.36 58087.87 4254.28 37129 24537.93 24232.39 41061.39 55842.14 29000.47 10083.29 18078.56 28677.43 109081.85 33455.67 16409.23 123174.51 8190.84 47736.68 34033.81 94375.63 83796.67 82757.75 49495.95 25271.86 18510.13 86014.19 37808.8 962.74 16565.64 80369.21 74980.02 19724.23 13118.26 112456.05 33221.32 17891.3 83977.03 69120.39 28425.3 27772.7 76383.52 35783.84 56945.42 49286.55 21446.11 19106.02 48990.9 48649.12 48324.12 48551.72 48746.62 48743.41 49422.55 48307.59 48303.32 Stearoylcarnitine 17738.67 14936.98 1246.58 21260.19 2686.72 12341.42 12337.05 22017.65 13557.82 6831.83 16461.11 15663.61 12079.41 20899.83 15413.31 4755.39 13412.07 1180.05 29122.1 17092.73 14408.27 13272.45 11508.94 19810.82 17945.98 23291.47 22341.31 49813.12 19589.77 16957.57 12431.32 20181.06 11101.82 9114.63 26951.43 11293.75 22104.66 12740.69 18339.65 30318.29 7290.13 17189.67 41268.77 16290.72 15795.38 29070.93 15927.29 30732.77 22609.41 36324.36 21558.13 13482.63 12112.2 16183.21 16162.89 7720.76 11442.21 13472.95 21036.14 15766.04 9994.05 4563.69 11495.64 23116.62 32477.15 14442.69 26642.37 24634.05 27823.8 28480.93 25089.47 5094.91 45370.59 23133.26 19640.95 23882.24 23149.58 22150.26 22124.89 22568.04 22901.02 23637.68 23172.14 24196.19 PGE1 alcohol 537.2 2268.71 2876.22 2407.89 1325.34 15298.32 862.32 810.83 1887.52 2400.1 2445.99 2465.92 2813.25 2883.25 560.48 8921.87 4684.16 541.52 3323.39 2886.37 569.84 3368.19 2738.15 3082.05 2371.17 2356.7 3775.32 2939.1 2595.15 2505.89 609.02 3049.16 2181.92 2999.23 1556.3 708.84 1534.08 5291.66 3526.79 1185.3 2616.29 5779.59 2428.75 1342.32 3897.32 2546.31 3002.85 2108.82 2977.46 11516.18 4031.06 3261.41 1563.63 2074.97 1055.65 1509.77 4222.59 2066.31 1461.42 5299.98 2538.7 2773.97 2789.48 1391.87 1017.26 4093.97 3713.06 3062 1324.36 710.1 1029.34 3301.32 1926.27 2966.18 4352.05 2617.46 1440.65 2279.69 2374.5 2502.68 3024.24 2541.97 2549.12 2556.23 cis-12-Octadecenoic acid methyl ester 337311.9 690423.54 1036433.77 979602.11 728122.96 541593.48 545301.35 343377.75 418421.46 241585.15 144065.23 420364.45 693378.98 618810.91 562339.79 811537.76 905261.43 620653.21 693890.09 655929.03 566529.77 530591.71 350289.96 940679.54 455164.11 380805.28 176334.63 186338.87 520642.66 333813.28 507337.32 794472.15 303942.04 348932.84 497021.09 366318.33 498959.73 321464.22 295968.99 443105.49 516889.34 784088.04 783284.93 576475.54 976519.38 840917.46 716407.02 591563.04 226700.53 629256.09 243072.31 583062.49 545242.19 707062.26 656004.11 790137.05 1302795.9 1066244.92 363738.62 780627.5 1162803.53 446055.87 974012.84 571451.36 474769.6 1066772.08 755496.42 469841.32 649465.62 449324 234445.36 503060.2 446525.08 740820.74 769894.98 744250.58 762478.63 768965.35 768924.14 762273 762417.55 769094.65 765014.89 763479.1 Fumitremorgin C 397.37 237.48 196.59 8888.38 22212.29 32295.55 26002.7 449.56 272.94 253.61 203.55 477.21 3646.63 525.62 383.61 3439.84 663.97 260.62 264.96 245.09 241.65 120.5 135.53 188.66 381.65 190.23 845.86 76.86 265.05 307.79 125.58 509.4 142.55 150.33 146.13 429.38 277.85 1117.91 442.58 97.66 11905.75 1716.23 93.06 174.29 337.14 3276.03 329.3 304.89 154.52 326.95 753.3 539.52 260.5 787.7 1127.33 443.57 691.92 85.67 424.07 2609.35 134.59 1958.02 204.67 215.64 90.97 986.91 76.4 466.36 424.1 333.18 276.85 463.2 123.1 268.54 2046.09 3541.37 3473.57 3450.14 3415.82 3419.37 3419.88 3321.19 3509.12 3414.8 AM-1235 18776.35 3279.14 14297.39 13525.41 22178.18 3035.91 19344.14 19365.15 22187.35 12200.95 16830.56 14245.6 16868.65 16454.63 1529.13 17779.35 12600.53 5694.18 23691.24 3815.14 10614.06 1536.23 17295.57 17395.82 21757.12 9032.18 21710.65 22474.16 49917.22 15268.68 9315.14 34997.32 3218.57 19253.28 19703.24 16805.03 15255.59 1120.27 20380.2 16406.83 19526.82 27125.97 7733.8 12491.61 11765.15 16278.27 14546.11 11458.91 14787.58 35057.63 12514.57 14871.36 15167.05 26553.82 9430.08 4987.98 9059.83 7249.98 8961.42 6919.25 13097.87 12879.49 10303.91 18285.89 5472.25 7241.87 6087.62 39654.07 18935.67 13900.63 15125.19 15200.4 18915.34 18253.97 4152.61 16066.56 16088.19 15264.61 16069.46 17165.06 16086.06 16412.97 16409.59 16072.14 Homidium bromide 29234.83 30362.65 20564.75 29764.15 47327.07 35312.48 31402.84 46094.35 47542.81 27930.78 21142.33 31007.88 36772.63 31119.22 35156.84 41886.21 21964.27 37041.69 48379.16 55202.45 37626.04 14720.34 17992.07 25240.59 37818.68 34171.72 24244.68 29936.5 78004.75 29420.42 52130.11 35956.82 20000.97 29002.66 27419.39 68715.49 36037.48 26720.09 21962.53 21173.89 60470.55 53509.22 31090.16 33981.16 47530.15 34864.13 74698.33 38008.11 32506.31 50544.95 32612.12 33557.7 28198.52 46530.58 23244.78 30629.98 14901.46 20785.59 31252.16 17336.65 17321.54 16515.42 26753.26 26562.19 27413.12 32940.59 46537.01 25720.65 34684.09 34808.16 32145.4 26811.56 23493.97 38120.89 31946.9 35888.18 34293.07 34623.5 34288.87 34836.58 34621.58 34190.15 34546.75 34245.49 Docosatrienoic acid 14087.39 13216.86 9229.52 4282.99 34366.42 26719.91 2792.34 5643.93 5589.96 5675.6 3566.86 10573.79 11860.59 9894.69 7247.23 2344.04 6617.59 7901.25 15232.67 21529.76 8904.11 6219.9 4524.46 3971.49 4748.29 5754.55 7637.19 7114.73 10415.01 13690.48 8087.71 13492.9 5423.84 5854.05 6080.12 8745.29 5329.09 22151.93 5363.6 8432.91 17433.5 7670.75 5200.55 7901.15 7516.1 432.12 14797.53 12571.72 8631.08 15744.55 8254.76 6983.81 5689.45 11363.07 10162.53 8599.01 5839.08 5985.52 4434.64 12652.54 8356.3 3489.11 3930.71 5978.37 4984.07 8196.49 9946.43 5278.77 6856.58 5704.51 5324.61 5405.52 3304.96 8026.24 7114.83 4939.17 2557.57 4810.98 2404.68 4647.42 4089.25 2565.19 1969.89 2693.04 3252.51 3324.4 2935.86 2325.09 2995.71 2639.21 3866.6 4892.01 6066.87 3755.37 2897.35 3590.58 5665.96 3979.0 4331.92 4002.2 14152.97 16169.29 16195.53 18354.75 15749.79 16053.75 15352.37 15239.77 13920.54 N-(2-Hydroxyethyl)heptadecanamide 12992.63 46859.26 39796.73 25822.11 17359.91 42274.74 6839.86 22069.08 22406.14 23196.96 10828.24 13668.32 15141.55 12701.5 31294.51 23221.49 35990.48 20943.44 22576.62 20889.36 17503.7 21540.34 14989.46 18010.14 10583.41 17556.87 19771.2 13543.62 17001.69 24639.68 10924.42 15757.61 23962.34 27016.65 22707.33 13339.01 19475.34 21983.67 11422.71 34300.06 20702.15 19243.22 24991.76 19088.2 14231.54 10897.84 17187.23 25989.9 3511.46 20622.54 7942.52 14734.94 16177.07 17839.83 16623.46 34283.36 43320.05 45730.96 16734.3 28094.69 22434.3 18827.81 20835.47 35841.94 32165.67 14900.55 36679.61 17104.67 22052.64 21174.76 29286.57 19411.53 14157.7 38656.64 44119.11 21411.69 21408.52 21399.72 21528.28 21234.89 21268.98 21346.55 21292.3 21454.3 17beta-Dihydroequilin 27956.38 42209.1 46613.72 36032.92 38939.68 44943.21 27561.09 33093.97 34205.7 56001.49 42012.63 10997.69 4749.98 44881.41 50129.57 87523.71 42514.95 1001.26 1980.39 4048.47 30117.75 40010.3 50985.89 53580.91 27260.97 646.11 42244.93 46033.43 73064.05 35352 1754.1 187703.55 29674.6 71996.59 53262.47 2954 9952.01 34742.79 52184.72 38409.96 3733.95 33958.51 57713.7 23154.27 2258.46 13705.65 73470.74 82370.64 89460.82 167493.24 822.84 36326.78 12180.57 40506.53 14026.68 45513.51 36592.37 26451.08 22717.12 20791.79 38014.28 44539.77 34488.17 58412.31 50881.5 30309.15 45480.29 33724.37 7810.23 22091.49 48398.26 52553.08 42562.08 70051.67 66738.39 38158.26 38328.42 38807.87 38159.2 37408.84 38166.23 38157.86 38770.02 38411.85 Smilagenin acetate 115609.3 124421.03 25111.1 38304.14 68229.91 111751.04 65751.83 117141.01 135562.1 105596.8 106381.46 114524.78 86144.73 94472.2 107098.64 107462.09 58532.46 87031.77 156751.22 142484.4 151272.93 51748.63 65114.01 86260.91 150049.64 132301.48 161096.41 164811.45 179733.98 4576.66 93512.92 10642.93 137304.32 60793.77 104611.97 127844.51 112076.73 157656.29 110597.06 105465.98 218721.28 133808.32 99366.8 76525.17 127639.54 71611.63 152518.45 110054.85 87091.17 155565.56 121217.58 153191.12 85074.1 128111.21 63076.76 144955.3 31277.15 29633.25 101083.81 33461.78 70168.38 73270.88 98221.92 88645 72094.45 145624.84 169311.28 104410.98 103528.73 122912.69 100178.01 149478.4 84241.67 56449.59 82939.02 108117.92 110746.98 110456.45 111674.52 105139.73 110649.76 105379.27 110403.81 106395.2 N,N-dimethylsphingosine 2974.29 21033.64 15923.65 14418.45 19739.78 36130.45 21350.65 10804.34 14725.37 13758.82 9026.03 15476.73 31294.29 5469.29 15681.52 6472.65 4562.1 3876.49 7842.52 1322.51 23853.24 4610 1872.5 9520.03 9134.37 3376.44 13761.41 12908.39 5522.79 26828.48 2050.44 12372.2 2126.88 15803.48 8540.28 6647.39 10703.87 8952.27 20756.28 18876.09 68622.15 14853.24 7336.96 13538.96 7536.7 23804.42 7079.64 17406.61 2879.86 12564.91 2920.65 7226.76 11685.2 13970.64 13197.52 10771.46 7677.98 8935.13 9519.55 15289.48 9291.43 10648.55 8164.06 9475.79 10495.49 14860.5 23018.22 11330.06 14648.75 12794.45 10260.8 8963.82 6798.9 15352.86 30161.33 190838.85 8696.08 120879.99 55382.3 108170.71 131515.14 60883.85 41944.65 39995.7 51732.82 15451.86 44501.47 65391.19 155655.66 33142.8 358641.71 279011.87 184336.16 123614.19 143388.81 115629.72 158388.95 199127.4 13896.11 13432.07 13763.54 13681.58 13957.03 13889.61 13901.14 13405.25 11153.21 Enniatin B 1966.78 1227.25 3038.42 2458.24 4354.04 2208.75 1954.1 2124.47 304.83 2844.14 2804.59 2947.51 4013.72 4741.51 1778.97 2164.9 886.59 1608.75 2513.43 892.71 1262.28 1929.88 2898.41 1884.06 2617.79 2070.82 2635.75 2188.42 2432.19 528.78 1078.75 1637.09 650 13522.15 2406.1 2938.33 1603.29 11678.59 2918.04 1823.17 315.2 2231.42 2954.44 1745.86 1932.83 3660.19 302.77 2581.65 4781.35 3224.43 3831.38 545.31 5416.35 5403.12 3621.21 919.78 2985.07 2504.23 701.73 1191.83 1190.28 2145.37 1464.07 2183.53 605.28 3928.1 606.3 2274.81 1694.3 2615.08 509.96 4371.59 1980.6 2128.49 2696.6 3854.05 4048.78 3913.81 3852.57 3850.28 3911.37 3853.82 3910.06 3835.52 Tetrahydrocorticosterone 14370.65 7701.81 1999.55 1668.16 1239.87 7118.59 822.66 17575.53 10660.65 1425.81 563.15 19261.27 2460.5 717.64 1409.85 4194.38 1196.67 1087.9 3153.59 925.98 6278.1 3923.26 1229.34 646.37 577.61 18158.69 1263.04 965.33 1975.02 702.03 466.7 373.12 7334.05 786.06 409.64 15629.16 9541.58 15932.67 1213.82 833.97 5723.73 13901.66 1270.27 388.99 26270.36 607.98 8146.96 9867.58 6436.73 3212.98 18322.73 9462.54 556.29 527.83 8186.51 18086.21 392.69 785.46 15555.46 12460.23 1073.69 1304.89 21103.2 822.95 1775.85 22295.51 25455.97 1378.89 1455.5 24083.36 15453.99 2300.11 903.25 5730.42 939.07 6833.85 6029.26 6294.9 5226.34 6055 6049.69 6123.14 6296.75 6074.96 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone 7972.02 4967 3373.45 11388.19 96518.52 118779.86 5386.05 11455.48 8110.04 7834.41 12548.38 13242.33 18661.57 12359.36 8839.97 15350.84 7964.65 5947.29 18291.95 7338 7234.27 9880.73 6473.53 9064.78 7856.43 9309.59 12455.99 14253.45 8132.43 7275.9 8699.62 23153.1 4818.64 13473.23 10795.2 9660.91 7072.77 2844.67 9765.9 5724.81 28202.01 16090 7268.31 8521.43 8310.03 12279.21 5623.45 13927.41 15395.13 23787.24 6942.22 7613.79 11151.37 17824.34 5345.77 1573.16 2809.44 2769.8 6098.6 6063.49 8822.8 5565.51 4332.44 3056.88 3394.87 7955.47 4511.82 13114.92 11901.07 8269.09 5379.26 7513.75 10713.6 4934.56 12607.94 9614.97 10775.75 10122.13 10427.3 10114.69 10430.43 10437.54 9101.83 10121.29 Danofloxacin 457.74 21375.66 4942.16 4992.44 886.54 24172.21 350.55 12945.29 28642.08 2260.94 7453.46 10342.17 9000.07 2721.22 22475.54 1754.1 5691.93 18068.14 1756.37 3252.85 22940.9 7760.05 8970.05 1710.33 21355.83 24442.69 11550.89 6956.64 9713.45 6365.61 22484.4 18852.98 5916.43 13861.82 3630.37 6887.26 24796.32 8233.65 9350.35 2573.73 20994.82 20382.96 3270.68 5121.44 13814.15 4247.59 19279.13 5493.58 5289.85 3703.92 19424.29 8336.72 2296.37 10738.87 1387.21 21370.77 1007.33 5239.19 20464.22 3001.82 4259.23 3167.55 7518.46 9403.9 7823.43 4880.39 21193.26 11047.94 10854.98 19647.57 19232.07 17016.97 2552.96 1340.93 8210.35 12685.35 14577.61 13398.5 13644.58 13856.39 13289.29 13530.82 13349.26 13913.18 Hecogenin 2398.81 2746.13 659.5 559.43 7165.31 863.91 5347.77 2519.4 2954.59 1636.77 2429.96 1682.26 10282.61 684.2 1869.6 4986.76 2936.75 1929.6 2980.98 507.76 2448.85 2677.34 2052 2074.12 675.99 1735.67 2359.03 2368.68 1689.83 1081.39 699.73 3562.33 2060.76 4172.6 1404.43 3608.88 2006.56 2170.09 1431.67 1974.21 2424.03 2096.79 1529.34 1296.39 2196.82 3756.23 2068.66 1336.71 1009.33 6590.81 2428.61 2215.57 858.58 2143.39 1177.9 1004.83 2687.15 1138.92 2100.73 1353.59 2632.49 1789.49 1603.86 448.3 517.11 1810.97 1929.56 1197.18 1373.51 1312.35 1491.65 2358.14 1125.67 2741.4 5658.54 5998.42 6166.82 8488.85 4469.29 4844.39 6241.1 7046.9 2489.73 4815.35 3785.12 4483.52 3206.26 5926.14 7052.68 6001.9 5097.77 9610.51 8227.25 5418.0 7819.99 5893.41 6792.11 6118.66 8483.58 5154.06 2662.86 2829.24 2972 2898.01 2768.93 2709.26 2878.73 2967.85 2736.88 Lonchocarpic acid 3852.49 984.06 2213.11 2043.32 497.17 1473.16 957.79 1868.11 757.83 346.19 3524.72 933.84 901.18 936.88 522.77 516.19 3019.42 1297.66 539.73 547.45 876.55 1817.29 638.18 1903.65 1094.46 1166.79 498.11 1386.27 1679.79 1149.34 1608.67 1113.21 841.24 1958.89 860.93 929.83 1367.58 1674.46 664.43 1070.62 4750.61 3484.7 966.79 1445.43 4355.16 3078.26 696.39 2799 864.46 1340.79 3433.71 3713.93 2954.51 2595.38 2686.87 913.52 747.52 838.4 1735.24 1942.9 1361.65 1942.86 2550.28 1382.09 811.59 3709.63 4602.82 1712.71 1301.35 1527.94 1576.42 1865.63 1833.82 1157.88 2266.99 2560.48 2387.94 2566.85 2276.92 2492.79 2588.46 2439.96 2251.36 3054.08 Licochalcone a 3621.73 6298.8 8644.79 7729.88 21984.34 5184.05 19329.57 14096.12 15162.72 11056.43 9862.5 12941.18 5479.22 10350.53 18568.71 17053.29 7887.29 6254.2 6861.6 8429.75 9678.87 7717.56 11050.55 5591.52 7738.25 11383.18 10642.86 10517.82 11236.11 10454.74 12765.19 9311.85 6129.74 16691.46 7855.33 3221.34 2388.5 6817.86 8721.36 6526.16 8545.55 13592.38 14936.73 4176.43 28120.27 20350.9 7965.21 8389.82 20387.21 29386.31 16018.38 5398.01 5047.89 9486.56 11405.11 916.96 6199.05 1358.43 8485.41 6222.88 3876.36 5148.12 3198.32 4562.61 10100.22 19226.63 15332.42 11560.78 7260.17 9191.86 10232.83 8334.31 7837.72 12626.33 12729.91 13269.48 13765.64 13633.03 13202.24 13052.67 13728.1 13121.19 13698.87 13665.14 Colchiceine 17176.59 19067.35 1481.44 2295.68 16775.42 14486.36 6472.92 4459.73 25634.65 20605.46 3398.02 11344.2 2257.37 5177.01 19158.79 23515.33 7034.35 28037.07 18578.02 47668.02 4446.96 8493.33 1357.02 7214.87 12425.74 15760.18 11232.87 7880.88 30047.29 1725.39 24429.32 27104.53 11552.13 12895.51 10355.03 17048.62 10722.56 12413.65 5102.33 5925.27 29014.97 29894.52 4040.22 3716.79 19670.12 7464.24 31510.56 17650.18 9454.69 34545.84 19050.78 16926.07 4057.64 5815.8 11364.27 15657.97 1926.34 4396.43 13275.01 2145.84 5744.91 6736.66 4503.82 3369.93 933.13 22205.59 2812.9 4570.05 6402.77 9441.52 17105.59 13430.2 6407.15 11059.85 11606.46 12325.93 10664.13 11554.76 10592.16 10738.54 11605.76 10067.12 8883.58 9250.18 15-keto-prostaglandin E2 526.63 398.08 2252.38 1468.24 8220.13 29714.88 27191.91 1987.94 1917.8 1092.09 1559.11 969.36 446.26 1021.41 945.32 1542.99 1477.82 1332.97 351.59 664.3 781.31 1048.84 515.09 1745.1 1122.89 250.24 1381.78 2111.19 391.7 222.11 1075.49 290.2 790.49 2969.11 4046.03 2468.03 1990.22 3265.56 2033.94 1844.51 8515.23 4889.96 2111.43 3426.04 2353.93 13026.31 2538.92 1923.57 796.9 5403.1 4379.29 2098.77 2052.76 4928.32 4798.58 2437.82 3360.17 2790.66 1558.37 4509.73 2272.52 2025.77 2569.04 2984.96 1491.5 2960.38 1686.93 1827.25 2648.34 1712.26 1442.8 1981.44 4120.54 2274.95 4086.44 7702.65 8930.77 7847.11 8083.89 8095.62 8186.24 7848.54 8158.77 8743.41 2,3',4,5'-Tetramethoxystilbene 37607.2 55817.23 55404.83 36911.06 47051.04 54840.29 36931.47 38719.3 29516.18 41826.77 37496.79 25033.2 34743.4 46733.29 38673.45 44233.65 40938.43 28730.47 33283.1 40885.85 35353.46 27590.25 28805.82 64608.26 37699.9 43182.3 40301.75 42585.69 47926.85 31504 70452.85 43047.31 19679 33602.54 35139.85 51332.95 37098.77 41880.17 35651.08 30695.34 35976.32 43318.68 41246.88 45721.49 31951.51 44867.7 37899.53 31638.14 63498.73 31507.58 34156.1 34546.39 33776.22 39860.94 40699.04 43513.07 52115.23 33599.29 40969.36 38208.1 39136.21 44669.85 69878.02 54350.17 48626.27 31523.32 40183.99 52711.69 37192.25 50666.74 39821.45 44967.18 49174.56 35362 46131.55 27216.3 22657.36 28673.7 31489.99 24112.83 27855.7 28975.44 42824.25 22554.63 21995.33 30250.98 24616.01 27323.26 24158.79 31221.12 27651.9 23353.42 22145.14 26943.44 32225.94 54103.66 29159.38 28535.49 24322.11 28023.66 45382.72 47061.14 44073.09 46127.84 50864.3 45451.93 45661.49 47034.43 47055.19 9-Octadecenamide, N-((1R)-2-hydroxy-1-methylethyl)-, (9Z)- 4829.95 491.87 488.22 5193.4 10554.33 7277.93 9322.91 3745.23 7272.76 626.12 2077.83 488.96 8635.23 4117.82 4130.27 6182.44 5152.68 5421.8 13738.59 38327.05 7079.58 3108.75 2498.34 2830.27 3487.93 2915 594.74 3799.02 5927.14 396.58 463.05 3358.45 2105.51 2261.91 11107.43 2026.35 7266.03 1648.05 551.73 3047.17 5946.67 987.27 405.92 1197.04 816.28 3189.29 1226.53 7988.9 3360.5 11938.53 2035.26 1287.37 1138.84 2937.01 800.39 12970.36 1051.09 933.63 6522.61 8111.76 3654.58 1742.18 14813.49 1217.9 8367.65 9538.37 2485.37 1790.25 1330.87 10022.57 7449.22 1294.74 1553.65 5531.62 38538.4 4713.46 5227.23 5167.96 5032.22 5041.74 5089.67 5080.24 5074.36 5026.41 Glyceryl monostearate 54677.63 42886.9 78706.19 42811.19 13547.54 24576.45 6263.73 9040.84 50211.93 94680.1 9279.53 63568.66 25591.26 33456.23 39535.55 48362.83 64258.01 102713.15 40954.31 45485.02 36051.79 28116.41 19962.17 20471.68 34802.93 37712.62 87386.6 55743.65 31421.38 42274.97 70260.59 52472.23 28977.84 55849.65 56982.28 43974.49 50236.77 85193.3 131548.76 67147.4 51414.05 153061.56 28818.28 52220.27 28521.86 30626.83 24173.79 35158.26 45464.13 47698.47 59811.11 21509.67 59093.8 36327.86 25659.25 33511.28 44392.32 63220.7 54695.43 64712.2 78622.09 66030.74 53917.55 48141 71435.99 52052.26 37545.84 89527.06 45843.36 53792.87 57362.51 100676.82 50829.68 53152.94 51603.84 53670.83 53840.84 54466.02 54167.58 54168.21 54244.86 53844.76 54244.31 54250.74 Methyl 5,9,12-octadecatrienoate 9809.28 109309.88 28030.74 104772.6 75073.98 33536.23 224549.86 7940.56 21192.1 4360.21 2713.12 23047.19 138791.32 124377.79 106827.61 322889.11 22830.2 462604.21 343506.47 314152.23 23244.32 40219.92 26668.42 13994.84 14858.49 23842.87 22350.53 753.53 62525.68 58698.63 488522.26 1751041.22 4630.82 8588.6 14188.33 22125.45 8693.57 458.38 904.71 19600.01 461538.99 286803.68 15648.66 452.74 436237.48 61627.67 65091.82 24708.34 20311.53 1674140.43 170189.29 26582.68 31230.48 101926.57 20163.42 138674.74 76597.6 18538.8 7430.52 908.98 1709.62 42071.9 29837.96 1999.05 53249.8 87947.52 543066.29 7878.33 61398.16 24072.15 84242.19 35953.04 61090.89 173626.46 33080.73 49381.57 49027.49 48324.07 48641.61 49294.22 48334.32 49295.59 48219.04 46078.79 16,16-Dimethylprostagladin A2 227022.9 252607.82 68688.31 76718.83 428521.51 94854.74 105839.29 457959.72 215111.72 82907.51 119240.27 231416.93 297580.58 229000.68 242116.52 135946.15 134450.87 293972.58 537160.63 137915.08 212906.35 86404.25 169555.87 159381.59 270228.26 300789.48 260825.8 79279.25 236066.39 36728.69 89910.86 267740.89 115201.03 282960.59 167112.67 714528.27 282318.87 105145.08 135642.13 110190.63 100873.81 248765.18 200652.44 92494.12 542981.28 101312.79 238323.42 382976.77 360955.86 292904.94 454827.71 303283.16 697203.35 250112.1 273022.74 240630.61 175700.88 31108 305239.78 125114.23 464199.64 342828.57 353372.65 190998.97 124449.31 270878.3 124667.99 100875.22 142428.66 593128.6 267393.5 129901.98 172879.9 68749.58 176316.08 244126.74 241591.3 240584.11 240793.4 240586.62 239594.81 242451.77 241443.92 240575.14 1,2-Di(2-pyridyl)ethylene 893.26 1088.79 506.7 356.28 1092.24 924.97 1474.23 1760.25 1712.68 1338.87 449.61 1044.31 356.22 571.48 2124.11 876.41 748.97 1427.75 546.5 2099.14 894.9 640.31 362.36 649.33 1793.46 1002.2 426.64 853.54 1527.91 683.05 274.82 338.21 384.55 960.67 392.08 542.81 331.87 866.14 767.93 406.51 1263.42 895.08 719.87 418.71 686.47 738.09 401.55 392.17 362.23 945.67 404.93 1525.31 499.35 538.58 586.7 308.85 593.31 374.03 1089 856.05 698.72 994.96 658.41 817.44 808.25 1028.47 2537.96 271.29 686.85 744.36 1922.06 573.32 619.98 723.13 821.94 1391.35 1670.51 1266.64 1509.26 1453.72 1455.65 1313.98 844.67 1483.28 Monocrotaline 8150.39 898.63 4312.03 4889.4 11317.48 11618.02 4518.64 13749.08 12345.87 8550.29 6815.94 10248.73 9724.68 9807.22 9690.23 5393.69 5306.72 14110.03 11895.87 9665.38 14051.5 5451.92 4518.4 7859.26 9693.86 14261.48 6510.22 9274.03 15576.89 8070.1 21812.46 11708.44 4272.68 8471.71 3517.37 19200.73 3636.53 7377.69 7302.09 2615.42 32845.8 10351.38 3479.92 6301.54 24956.26 13061.44 4436.98 8522.54 10652.58 17223.13 13662.8 14322.37 11657.73 12551.26 992.65 7106.78 3632.7 3786.61 5661.31 4950.96 4871.08 4485.22 8094.01 5987.7 4401.89 6386.79 5686.07 6077.11 7902.43 9821.51 8853.6 6296.86 5943.89 6114.7 8961.38 10140.97 9672.01 9542.41 9662.36 9877.91 8575.11 9636.56 10115.91 10100.47 3-Hydroxy-3',4'-dimethoxyflavone 18347.45 27520.07 27014.88 24010.11 25834.81 16870.37 17487.36 19907.01 25014.44 23212.85 8867.43 12081.1 15284.64 17522.42 24034.95 22115.96 19064.33 25210.43 24172.67 18266.11 20132.09 12152.43 12898.2 26684.34 26918.03 25503.3 24752.56 28936.56 27939.34 22703.87 24196.97 20340.05 14286.83 26580.45 23578.94 27078.78 23697.84 18065.83 23448.97 20737.02 20624.66 23486.66 24053.29 19752.25 25630.76 19914.36 25197.42 23575.2 17748.11 19404.49 18713.86 22617.09 22706.7 18916.24 15309.41 23119.67 21736.12 21523.92 22144.67 17600.47 23443.67 21124.95 21612.94 22051.75 22949.6 23343.46 22852.44 26791.78 24261.47 22173.29 22882.74 22970.2 19584.85 20645.24 21218.86 21799 19970.81 21074.94 20917.83 21444.82 20966.13 21449.89 20953.34 20958.05 N-(1-Methyl-5-indolyl)-N'-(3-pyridyl)urea 4333.99 4571.17 33424.78 4737.98 9523.51 26317.65 19644.07 2164.43 6721.81 11980.01 15538.9 21515.39 23228.27 16755.12 6162.99 8987.22 9695.4 6883.97 37595.52 14849.02 8100.75 12555.07 21737.06 20231.95 11977.99 1825.78 14015.37 17717.69 8295.66 6814.52 4010.57 58713.69 5112.73 23709.09 10796.46 8075.62 7049.71 7836.45 6020.37 12332.44 5731.37 17206.65 5618.62 6529 5269.88 9773.95 5621.65 9692.41 12282.33 15218.21 7963.16 4266.81 8093.1 8882.04 8167.04 9685.81 9590.34 12857.86 6755.55 13259.39 10926.36 9188.67 5118.35 19999.66 15374.41 8669.31 4463.57 16742.03 14713.1 5093.26 7948.7 22453.19 20350.69 24788.84 15525.02 13558.52 13158.79 13089.83 13285.24 13149.39 13198.84 13338.32 13299.04 13344.11 Spinosyn A 4083.75 1820.59 1383.25 1641.8 1680.61 2266.47 3687.39 7737.54 11959.2 3214.81 3283.06 1560.23 2166.7 1596.89 8580.37 5246.88 1327.9 3481.02 4510.47 5301.62 9637.17 2454.63 1672.61 1710.18 7206.53 2946.4 2185.89 2332.43 3944.46 1875.36 4383.78 15820.49 1447.94 387.58 1235.1 402.21 649.42 1589.37 719.2 789.97 1831.69 2397.57 503.33 1142.37 1931.82 1188.04 529.04 476.87 93164 15878.25 7548.86 7511.86 5150.05 6437.06 6974.03 1454.2 5859.91 6256.78 4269.57 4287.81 4031.48 3409.74 2640.98 2935.25 3867.49 614.08 7121.78 3915.17 2044.18 949.05 2783.9 681.93 41115.8 70972.23 23409.3 8771.88 7113.55 6607.03 7133.59 6200.22 6894.33 6313.61 7224.75 5331.77 Prim-O-glucosylcimifugin 437.09 417.32 1272.29 181.73 238.64 23688.67 3816.25 863.42 505.37 4131.08 218.72 118.31 342.22 283.22 209.09 334.35 554.65 161.11 157.42 474.24 394.42 6539.69 285.71 238.69 433.72 7237.37 192.66 375.51 435.09 205.97 3574.13 348.24 1548.09 711.83 257.01 357.4 404.43 6908.83 428.78 584.98 210.51 886.7 516.26 256.12 660.85 387.27 199.85 150.94 333.6 395.79 1470.2 309.13 310.24 338.56 417.31 1168.82 210.88 227.56 211.9 7265.69 184.22 1740.3 506.12 1030.89 202.88 867.21 523.02 297.59 237.76 256.45 170.09 467.45 553.76 1426.47 571.05 2082.31 2135.34 2438.01 2277.54 2289.24 1621.07 2237.28 2119.4 2795.51 Tegaserod 35106.04 61786.65 25720.12 17918.75 30163.52 26614.22 4230.09 33975.25 35092.78 30202.02 25329.97 41331.5 37801.31 66674.53 50304.79 47194.25 31532.9 108161.74 88890.71 85290.16 30399.99 16281.25 24443.93 33397.28 32057.61 34259.04 30437.34 37079.77 66683.67 24357.38 115224.23 216002.22 17158.75 30768.69 30793.43 55964.56 30081.64 20249.63 25802 25190.16 115133.32 64030.68 38001.38 23473.59 104303.07 29995.32 55007.26 40584.08 35889.33 125576.47 24887.29 71643.27 29239.15 48469.99 28262.7 61816.79 21302.7 17163.39 24781.1 15134.4 22069.41 21814.01 32720.94 29532.27 28997.7 56959.2 87519.24 24111.89 35226.69 26256.53 26060.52 34167.43 27307.67 41376.35 35852.38 2962.5 4477.91 2754.26 4994.54 4876.47 3269.34 4850.83 1099.33 8840.61 3591.14 1608.83 5986.43 1787.04 1559.49 1603.66 3638.52 7087.95 5009.32 2102.52 7410.77 3106.69 3392.86 3762.33 3360.16 3801.29 47549.18 47224.32 48289.84 47594.07 47594.51 47225.62 46842.42 47212.59 47585.56 8-Geranylumbelliferone 12092.4 9671.41 6558.96 2592.79 15205.8 14497.83 12502.25 12893.57 16651.76 12443.1 7692.74 19078.04 11646.02 6666.47 15706.3 13271.83 7996.47 11236.18 24502.74 23277.32 15467.89 9223.91 8314.73 10196.93 14887.8 15834.95 12724.11 10470.86 20747.7 12211.28 10744.32 16667.24 2572.84 10731.37 6978.89 11937.07 16594.92 10014.93 11684.31 10055.34 38651.8 19416.43 12831.46 7819.09 15818.96 7575.98 17352.07 8605.45 11458.53 16862.59 11098.7 1184.56 8940.67 13694.11 8289.75 11575.93 1448.43 7424.7 14080.1 7531.99 5984.4 2618.2 3020.06 2570.77 5087.41 13638.28 9414.48 7936.67 5761.51 16122.16 14843.19 11450.31 10444.58 8726.54 10441.8 12193.13 12758.69 12424.24 11947.24 12181.05 12141.37 12193.79 12112.19 12111.17 Clenbuterol 16135.11 11767.46 6157.73 2082.48 13832.65 12963.2 10314.06 19177.87 18355.88 14148.03 10189.5 11451.52 8544.91 8662.04 14709.56 12448.46 8487.03 12498.69 12198.45 21102.8 15726.45 2830 2402.88 9335.79 17581.55 16892.88 10823.28 13003.18 17095.8 13277 17334.16 12755.23 12489.36 7844.58 7077.56 15493.35 8969.71 10167.66 9005.34 11462.83 17636.35 17673.32 6240.93 7944.37 14568.28 9190.84 17490.06 13902.75 13690.28 14910.48 13297.27 10729.51 7184.8 10475.69 12537.43 9613.5 3318.82 3216.19 12020.28 8351.15 8211.39 5778.54 9882.44 6606.14 10594.81 13326.98 14732.64 13156.43 12228.37 15801.61 16065.91 11391.37 14620.73 6141.8 10335.41 13470.7 13270.99 13326.34 13223.45 13264.2 13222.64 13264.9 13184.53 13283.64 5-Methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol 8073.89 9167.19 8729.87 7386.67 3787.62 3522.03 7093.1 14093.36 6750 8561.56 9650.75 4041.38 617.52 3107.93 3198.44 1488.53 7192.06 7613.41 1529.18 6954.58 8649.64 5604.24 1251.43 9010.74 8194.32 8756.92 8069.46 7648.72 6137.98 8749.62 1619.24 6856.46 5764.43 6430.45 6256.41 7018.99 8170.49 3744.5 7950.58 7221.79 6308.5 7532.94 9145.23 6911.94 7522.48 4066.72 5869.47 6112.59 2225.77 5277.54 6426.16 8507.49 6773.2 6141.64 7705.04 6753.92 7017.79 8328.45 8036.83 6010.38 7727.42 7317.25 6825.16 4102.57 2864.77 4144.57 7175.96 8209.69 7536.48 3391.64 8337.01 7285.54 5092.3 4020.94 5680.06 5550.21 5774.6 4065.85 5525.76 5781.94 5541.74 5869.45 5773.85 5774.44 (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid 1265.21 800.5 755.34 11842.13 40968.95 34912.27 49281.64 1284.94 1040.31 949.66 501.34 446.39 23919.21 227.83 926.17 1624.67 287.97 175.2 750.21 738.41 965.99 1263.56 166.93 191.19 172.28 939.51 1331.84 251.41 657.71 58.37 512.05 222.62 165.74 3215.89 728.37 1442.79 432.61 2672.04 2720.68 1343.42 10706.62 3370.28 466.86 1759.96 188.57 7246.6 974.83 3391.02 620.89 147.18 755.77 2581.87 335.03 2127.63 5127.59 2008.81 821.33 1315.82 283.22 2995.96 172.65 3269.6 839.74 857.61 406.17 3689.55 1248.38 1961.16 1270.75 807.89 614.98 547.95 1160.61 2819.44 4022.3 10253.87 9159.63 10737.26 9366.4 10054.7 7684.98 9336.76 10256.7 10373.69 Isovaleric acid 5327.94 8685.8 5385.06 6618.78 5392.35 6926.95 12470.34 7468.77 4184.63 9931.6 5638.02 14322.14 13602.1 8290.21 9016.72 8092.54 7838.33 6162.24 13306.25 4204.59 2439.87 23663.96 9866.76 9721.26 6360.02 4609.56 8469.93 5430.9 9728.25 793.41 3175.84 8352.39 9459.77 8655.42 7611.63 8186.69 5980.68 6137.07 7458.5 7120.4 3856.49 5844.29 9414.96 6344.33 6802.31 3762.89 8186.44 18482.54 7617.3 7670.02 3355.62 8506.55 8628.1 7360.76 4923.9 8448.22 9006.06 6515.63 4842.43 4764.11 10777.86 12515.67 5613.69 4469.51 5072.55 9234.62 2983.2 10040.78 6841.89 4641.01 5583.52 9072.25 4307.13 7560.58 5784.51 7554.42 7308.47 7381.81 7157.21 7373.9 7279.94 7284.22 7283.27 7317.02 1-Palmitoyl-2-oleoyl-sn-glycerol 1075.09 3367.78 4279.71 1327.96 633.56 1111.3 1921.66 640.6 895.98 5850.64 909.51 869.63 2149.58 2157.59 1751.15 1284.95 9740.24 1699.44 2136.4 3185.6 1043.88 1122.9 1917.39 2332.75 993.26 773.22 4410.26 850.21 2512.7 678.29 1169.13 4083.94 887.33 503.41 3286.84 2099.95 2561.12 4801.24 1660.03 4846.01 2331.22 1993.95 8302.89 12211.61 1441.54 521.45 7076.28 2819.64 5443.22 3018.8 1949.79 2817.52 5765.34 4744.45 731.76 2523.86 10975.17 4668.41 2544.98 2950.45 4087.86 843.93 3455.79 3158.33 11235.69 2286.41 1900.35 5416.96 2928.17 2419.31 3477.46 1415.02 4388.73 2569.87 3525.94 12447.69 16470.65 3250.3 1766.87 569.48 2462.04 6200.46 8403.81 7487.97 12560.51 5980.37 6070.99 20385.5 8208.76 8591.93 7877.04 2743.12 2932.55 2850.2 2862.73 2963.24 3367.25 2481.5 2715.05 2653.55 Sterebin A-Stevia rebaudiana 4743.15 218.23 5089.52 77346.46 126960.89 159877.65 209015.18 4178.87 693.8 687 760.56 3314.12 44967.71 377.06 524.73 20093.39 3688.15 1104.43 426.63 271.13 851.44 757.92 3601.13 584.18 628.42 246.94 190.48 461.91 569.33 2804.97 268.27 6241.75 349.81 12127.62 1078.54 367.79 596.1 10315.9 5050.49 2185.04 83076.26 9939.63 670.69 1074.31 659.14 61992.9 608.63 253 88.18 6164.84 11461.77 2005.77 3946.03 8388.85 16694.92 1153.66 4391.65 419.46 2328.93 12515.48 1212.52 11286.78 3907.05 1420.88 287.51 9421.06 1494.67 1116.94 597.5 282.71 196.31 135.51 717.03 1220.72 9347.01 33254.38 33345.36 33117.75 33255.99 33150.55 33118.74 33176.18 33209.96 32754.67 2-Hydroxyquinoline 1497.75 8579.35 23882.64 24863.25 4142.1 4987.56 4944.2 2161.91 1581.01 6975.3 2518.33 4034.54 13771.83 4713.12 3271.56 2193.17 7687.79 707.58 5814.87 941.44 697.11 638.69 4460.1 10227.24 2685.79 3843.38 8181.89 2637.52 2433.86 1588.56 1724.18 2087.7 429.07 9177.9 4086.02 2656.31 2255.86 7821.12 3912.64 3316.36 544.72 1915.38 4116.87 4654.42 1972.94 2776.1 1489.96 2607.44 2966.78 2353.63 1709.64 12786.39 3758.58 4508.37 2688.39 11651.7 27174.23 21926.38 976.25 9506.94 5346.02 17635.32 2716.53 1958.45 4623.95 4271.23 2822 2468.2 2899.29 1608.69 2268.69 6922.49 740.59 7143.88 3779.08 4795.77 4739.06 4793.93 4796.05 4736.82 4784.43 4773.56 4633.34 4698.28 N1-(2-aminophenyl)-N8-phenyloctanediamide 9840.86 12826.61 11533.09 11545.95 9291.48 9297.38 21838.95 22067.61 12930.22 12072.2 16183.67 12685.32 5068.59 14341.2 11783.4 9088.92 7200.45 7528.21 13374.49 12723.52 15414.23 11344.25 11239.92 11541.71 12287.56 11281.22 10397.2 11724.59 11623.36 10216.23 10899.06 9113.91 10437.26 8412.81 12759.73 9562.26 7005.21 6537.89 9651.18 11995.04 9895.34 11294.08 12736.01 11812.29 12939.94 14190.3 10127.59 10505.05 2270.33 9915.16 15014.79 14608.15 12622.39 9920.02 20614.36 11842.62 10790.5 10637.14 10035.44 12514.1 11504.62 11664 11714 11554.14 11424.29 13282.12 7372.02 10870.35 12979.83 6141.08 11408.98 13251.75 10234.33 8210.98 12241.75 5608.84 8990.92 6196.15 5831.9 5622.88 5876.65 5676.01 5670.84 6232.29 5505.15 5583.35 6290.54 5704.02 5833.97 5490.83 4943.8 5799.33 5709.25 5823.68 5815.24 5730.26 5773.39 5729.04 5398.53 5893.8 8314.68 8461.85 8098.3 5756.28 8728.2 8532.87 8465.29 8404.12 7630.67 Methyl cholate 352.12 552.24 410.76 1345.39 747.99 957.48 1053.23 3017.38 798.57 544.78 1914.02 731.25 301.16 674.66 754.88 511.87 309.46 482.31 6296.49 3659.45 398.67 518.47 324.48 2456.52 875.17 2140.73 3128.14 348.3 5105.75 1335.69 445.63 766.73 633.34 939.47 1334.51 6592.35 3530.83 2294.97 802.41 2901.01 1864.51 3810.69 3132.38 1219.33 3392.42 1321.19 7161.63 3820.16 1614.6 9813.32 796.41 2003.46 1384.17 2482.33 3454.67 2727.31 1370.12 1405.04 3651.45 679.42 3055.67 1030.32 2832.26 2427.64 1843.99 1901.75 1246.37 1773.72 2298.22 5923.61 3468.01 2843.37 1691.67 1456.36 3054.85 3132.94 3133.97 3185.62 3210.53 3134.62 3185.67 2869.2 3194.12 3181.42 Equilin 7336.59 7499.78 21292.82 6866.52 7102.14 1493.76 43037.6 47502.43 21756.17 23757.71 29288.8 31552.41 27072.8 34911.64 3573.89 37654.31 20116.96 7218.53 49638.66 9142.59 20361.9 20472.18 21834.62 23905.04 8307 23704.79 33046.39 25779.3 3487.2 28829.46 51993.37 41062.87 11178.98 48053.3 33050.42 16350.06 21942.1 17197.17 19634.56 18711.64 20914.45 37059.65 28477.51 22463.97 25582.97 24159.07 16372.07 27876.45 24106.17 41021.51 12395.67 38682.84 38874.34 41493.65 11803.16 20434.58 33581.88 11471.86 16218.19 4705.61 24147.05 23827.54 15944.29 26574.64 22854.81 23066.13 59310.06 23235 30338.65 13070.13 45506.72 26156.49 27534.47 28544.3 41231.21 33953.8 28899.86 30542.06 36730.33 32294.17 30532.3 32274.91 31120.72 30541.64 HC-Toxin 8787.12 8161.5 817.59 5426.56 66094.13 292938.51 133258.63 10356.69 6439.33 4991.18 6619.76 277.11 6930.32 7838.66 7185.93 7681.86 7310.78 6431.8 4064.47 12398.45 7147.4 1616.43 291.5 7976.74 3265.65 7264.77 5734.3 7684.84 513.54 6298.16 6280.98 124301.45 4963.83 10186.56 7100.4 7564.08 9322.67 6130.89 5263.46 5467.48 23667.36 8387.11 5311.58 5488.77 7109.76 10978.38 7596.62 6438.96 5158.95 6229.63 7190.32 5962.8 5473.32 6770.04 6074.56 6298.45 10782.32 5130.9 4978.04 8310.29 5232.74 6622.41 4561.86 5295.57 3891.62 4131.5 5810.71 4527.49 5532.19 7475.8 5828.65 6250.2 5033.76 6709.59 10120.89 5518.37 10655.5 6982.15 5630.47 5834.05 6723.07 5744.92 5720.87 6476.37 5809.19 3928.19 6291.64 5288.68 6355.31 5919.36 4868.99 5980.91 6023.68 5682.07 6065.42 7142.78 5913.51 5838.66 6915.55 5785.62 24330.07 24280.67 24504.66 24737.72 24379.32 24733.43 24380.49 24987.62 25121.77 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid 1127.9 2164.45 2456.47 677.01 11244.86 3088.4 6380.94 5867.95 5287.11 992.51 3336.94 1171.41 4432.12 4819.93 2429.19 1627.76 392.87 2735.97 833.81 2338.63 4246.31 834.25 524.05 690.36 3546.37 2270.81 1824.07 1822.51 4464.43 5808.1 596.03 3249.75 531.44 18076.52 1695.05 3000.88 949.55 3405.61 4502.64 1721.07 1841.65 4063.89 1639.89 753.4 1215.92 16041.17 1399.14 1517.15 1552.61 3179.99 3797.8 1126.41 2865.37 8841.33 3618.71 2448.23 1496.65 1164.58 940.33 2335.34 553.89 635.92 994.26 3515.03 1227.79 4148.32 4236.59 1774.71 3279.9 3084.86 965.27 1283.24 4583.13 2254.82 8138.36 3255.25 3136.09 4390.34 3254.68 3156.78 3535.22 3469.38 3570.8 3488.49 Isoflupredone 1555.59 2383.46 4515.73 4102.04 1959.05 1487.55 4720.78 1689.87 1882.89 4291.18 4523.64 8544.66 5378.12 7790.05 1671.76 7763.7 4031.37 3192.38 8316.25 2831.28 1572.76 3609.27 5880.41 4926.51 3679.22 1766.28 5530.66 7656.03 7739.48 6993.16 2940.26 10395.09 1098.76 2641.01 6726.59 2045.48 3769.57 3216.76 5154.76 573.25 2576.07 3510.82 2757.96 3812.38 2023.56 1529.22 7464.45 2887.31 5400.98 7831.98 1584.3 3393.49 6133.5 2732.9 3148.32 3942.23 773.4 754.68 875.25 1291.69 3371.66 3808.79 3566.17 4323.62 1540.46 3613.84 8191.52 2505.1 4796.91 2894.04 2064.89 3985.66 3387.47 5220.54 8899.4 7278.67 6734.32 6923.19 8685.26 7087.91 6846.55 6822.76 7548.33 6277.23 13-Azaprostanoic acid 9272.8 19223.89 6014.26 3773.56 16455.84 21319.98 1680.96 12740.22 15348.93 18355.16 6521.65 11941.78 11888.37 10030.62 20794.21 17209.43 10600.77 17097.43 19368.21 24139.3 27315.64 1178.19 6077.32 9380.54 13054.19 12295.87 10934.14 5422.35 16893.38 9212.86 15372.54 10069.64 18273.56 4635.42 8149.44 12398.93 12503.48 6364.25 5172.08 13679.41 10769.06 12038.76 9481.46 11167.43 21209.9 4472.83 26591.5 29180.21 2335.15 23383.04 3866.59 13532.31 5249.89 8241.47 12532.57 16842.58 10948.25 4636.46 9628.96 7102.77 10105.79 5274.35 13488.41 6715.15 7857.19 13790.17 35515.67 10223.79 12136.41 17922.71 11500.32 14397.74 6835.7 11904.82 6828.08 11647.78 11931.71 11903.7 11913.58 11653.65 11869.1 12274.51 9918.46 11876.67 N-hexanoylsphingosine 3198.13 9473.79 2145.64 5492.14 1915.7 2475.17 1217.01 1820.32 2120.41 3272.29 3585.41 3051.67 7892.96 10970.7 9969.38 4317.09 5007.37 28149.39 10459.82 15346.63 2307.99 3079.88 1012.47 1282.96 1321.52 1588.35 5712.77 1099.92 8079.49 6378.24 22590.45 22381.04 721.3 1033.62 338.17 7491.11 650.84 306.72 393.92 1209.59 20943.83 7712.59 2555.47 4212.85 14460.96 5075.84 14213.74 7774.04 422.62 18023.63 1783.11 5200.58 1727.32 5957.35 6396.84 14044.77 2132.28 3737.74 3499.37 643.74 1535.29 1706.57 6280.83 3436.13 4061.01 6027.35 12657.99 2350.9 6359.08 2732.78 1282.99 400.83 3175.8 4851.63 5829.33 8267.51 6653.83 7051.49 6439.07 6674.49 5881.07 6122.58 6712.37 7368.79 7982.01 6563.43 6248.98 7518.46 6970.43 6836.25 5806.55 8268.03 7530.22 8155.32 6261.96 7150.4 7544.62 6725.42 5718.11 8100.53 7387.86 7132.55 7391.19 6724.71 7366.54 7309.17 7140.65 7153 7379.34 N-Octadecyl-N'-propyl-sulfamide 5711.89 7074.02 6413.84 10830.86 9800.99 7946.81 26085.01 4467 6516.8 6093.58 7509.22 5504.56 40986.4 5833.67 7731.14 12449.58 6429.25 8668.32 10647.67 10446.34 6161.77 5682.91 8536.08 4106.23 5851.67 7535.4 7451.81 4602.66 6276.58 7848.11 8404.72 28209.87 5145.45 10624.03 5213.86 7101.52 6294.62 6012.72 6158.11 4964.93 11818.05 21016.91 6203.5 5704.44 9001.84 51258.4 7263.73 6519.08 5749.09 14812.64 5510.77 13167.44 6798.12 8479.21 5406.65 7721.78 6409.26 5746.33 6280 7900.56 6623.9 6865.06 6408.61 6801.69 4600.72 7808.33 8332.26 6298.91 5073.26 6795.57 5244.24 6883.22 5376.04 13522.57 28032.14 13911.29 14538.74 14540.01 13770.95 14674.93 13981.17 14547.07 13772.67 13806.38 1-(2-(4-Morpholinyl)ethyl)-3-(1-naphthoyl) indole 3740.85 19092.45 1030.15 43082.81 738.62 12557.34 9839.09 9073.41 6288.65 4193.98 2433.83 9706.77 1710.41 2640.12 2028.22 19959.19 23904.42 8416.82 7700.16 1598.24 4208.97 8404.29 7329.72 8168.56 2889.77 7949.1 3279.05 7074.98 6178.82 4251.26 8197.41 10385.83 2285.26 15496.98 7271.8 7037.86 6037.28 37117.29 6982.2 22001.31 8687.57 14437.48 15281.43 22390.76 3923.35 8586.91 4666.08 17267.73 4923.01 9409.83 2299.28 20943.74 43162.49 20187.41 6100.57 7539.85 21707.67 62089.68 4443.44 1828.09 6337.76 5573.7 6462.75 4694.76 8915.45 3257.14 12171.57 9995.76 4352.52 6687.18 2137.88 17266.11 27594.37 15767.7 7177.6 11870.74 11591.79 11869.87 13040.32 12119.99 12087.28 12120.12 11807.11 11584.6 Adrenoyl ethanolamide 7390.04 3974.7 2606.56 995.07 1114.32 809.4 2181.13 3429.55 1767.02 4792.08 2345.88 8683.27 1986.03 4816.48 6892.97 10569.88 3773.29 5138.03 4822.94 11544.87 4955.58 5224.94 3500.97 2697.76 2593.98 3820.66 4615.84 596.19 4937.82 8068.23 650.98 525.49 2722.21 979.98 764.8 15119.91 3836.26 9790.38 3110.62 8091.43 3310.76 36762.77 2759.47 4003.14 1671.47 11324.27 12613.91 1684.43 6197.1 9800.96 6726.38 3022.3 896.72 3893.71 1545.37 610.85 2521.05 5572.35 3302.81 9509.53 1198.78 6316.31 5465.88 2469.65 3035.95 5557.16 1800.42 4875.46 1134.76 5118.13 3319.87 740.11 1086.98 3321.95 1051.53 3934.64 1225.66 4856.58 3887.77 4085.26 9923.66 3616.7 3434.87 3371.26 2842.82 1185.37 2362.59 1383.52 5628.4 1429.29 5361.61 10917.93 11010.93 6505.89 3144.09 3722.69 4813.45 6087.81 7545.6 5441.0 4811.94 4882.95 5176.42 4989.05 4915.53 4895.08 4985.56 4991.79 4887.48 Prostaglandin E1-d4 40992.59 52255.19 34554.07 56283 45443.29 42706.7 30352.53 37201.92 41963.67 48289.01 33271.77 30177.54 99663.69 35355.79 35432.3 41277.65 43391.75 33445.7 35881.88 37708.36 41900.57 31923.25 37124.25 36091.24 38323.8 51929.84 40008.44 51961.99 37688.08 53718.34 31925.14 33588.77 39733.72 41744.15 32726.62 44832.09 44363.92 58107.66 40518.77 52411.32 34440.26 33920.29 29929.59 37467.74 32304.67 12709.05 28634.88 34468.21 17907.33 37348.05 35561.83 34405.33 27748.99 36801.06 34589.42 35303.51 43482.21 33882.33 40730.66 45351.45 46816.47 36979.07 35144.24 40652.87 30271.13 22921.33 36626.7 31460.45 32921.91 35938.09 38686.99 38897.24 30369.8 31181.15 32649.03 34602.02 34987.15 34980.74 35647.12 34679.95 34784.45 34772.65 34598.64 33476.43 3',4'-(Methylenedioxy)-2-(1-pyrrolidinyl)butyrophenone Hydrochloride 4553.99 5185.24 1043.63 1913.47 2136.75 5080.33 3034.92 751.77 3261.75 3588.78 1768.51 4577.41 5842.2 6263.33 3772.95 4148.98 2615.4 7688.68 5455.98 6174.05 2337.07 6762.55 1905.66 3246.18 1213.29 2800.17 1729.45 1494.14 5725.44 3129.86 9491.12 13179.52 1390.85 663.27 1612.82 7969.72 4586.7 2319.39 1507.9 1892.29 6615.07 5224.34 2493.69 3721.12 6947.49 2341.12 4804.18 2591.03 4032.43 11228.23 8958.13 5837.37 1477.36 10144.47 4015.28 6518.81 1482.76 2592.06 1554.97 2701.94 1130.9 1291.55 3157.73 1589.04 2494.3 5663.8 15238.53 2074.39 2835.22 2325.6 2418.87 3702.11 1475.1 2989.79 3475.95 4895.82 4792.87 4888.59 4787.29 4893.96 4881.89 4744.8 4902.21 5050.88 8,11-eicosadiynoic acid 29981.27 26014.82 22502.15 29139.18 23768.56 73052.53 39241.19 38261.39 34726.75 54553.29 62681.59 12494.29 16181.05 28226.71 16345.25 39275.18 29703.88 27559.19 18820.52 6796.94 38043.33 49092.81 35319.83 30996.05 25299.88 26467.82 24214.11 27475.81 16787.46 13900.4 5675.28 10726.89 44547.15 41620.92 44131.62 15494.8 37218.72 77868.32 50013.47 69681.83 12037.48 21109.28 34915.14 29887.5 19163.71 18797.42 15265.19 14427.49 11175.95 18739.19 27098.46 23590.12 53105.37 36145.8 36004.38 24007.75 22252.01 31837.4 25284.85 35443.13 57858.33 41610.66 50495.84 32002.79 13612.41 35336.36 26368.08 20926.26 55742.73 25002.05 27679.66 37678.45 26332.14 23926.51 42228.55 28312.98 27057.5 29501.97 25045.26 27574.35 28414.03 28506.52 27517.5 27912.25 Hirsuteine 4055.72 431.32 12607.29 66989.48 2849.35 106084.67 183597.12 10086.31 3273.45 6216.88 1049.57 3362.16 32853.51 3178.89 859.37 3915.83 3020.9 5396.87 2266.41 915.72 1483.12 22626.81 1913.95 1780.82 1691.22 2253.41 5191.12 612.48 712.88 9916.98 641.2 10687.18 1193.98 9819.07 9220.49 10110.77 6089.03 10399.7 8900.74 6770.8 62076.22 16538.76 9993.67 8120.98 6329.98 69107.52 6759.28 20055.45 9222.58 19810.42 11560.51 8748.69 11395.81 19096.99 11360.54 5721.53 8139.23 7524.45 6052.89 12500.48 6298.54 10212.61 5753.5 13081.85 9308.47 10016.73 7833.41 7711.86 8202.91 7630.57 6744.22 10705.78 5416.59 13155.83 14771.17 21452.21 23031.49 23546.26 23885.26 23813.59 23791.09 23295.19 22929.61 24829.25 4-(Methylsulfanyl)butan-2-ol 3919.31 10501.95 3398.55 4282.5 4477.44 5097.2 7388.8 6575.04 762.56 17842.15 3321.75 5298.3 3602.37 7716.4 8296.42 9896.93 8991.79 10623.09 23888.89 13273.63 7868.87 16736.82 3091.51 3902.04 5928.22 61793.93 20086.43 8440.81 12828.71 4132.07 10749.75 12234.17 10112.68 2200.43 1529.42 15576.28 2651.54 12408.17 2797.12 3080.67 732.02 3178.97 3749.91 3951.28 1406.56 4409.23 746.2 7430.2 7191.38 7623.82 3458 3190.91 2046.12 3868.15 5118.57 13083.89 5521.59 5907.43 7193.46 20139.39 3284.73 4067.39 5059.17 3172.65 4405.59 3010.73 3422.75 10391.34 5029.06 7633.64 6073.25 8324.2 2700.29 5420.83 9539.97 8432.59 8324.84 8286.92 8318.95 8335.09 8335.27 8286.85 8324.8 8183.79 Decahydro-2-naphthoic acid 21307.18 9200.98 12423.1 10796.56 13522.6 13039.01 13278.96 21203.41 10565.05 12042.95 10994.67 7939.49 12181.58 9574.49 10946.43 13269.15 7822.03 11754.2 13944.97 13181.59 8046.04 3237.69 8544.32 8880.46 11555 10634.88 11970.07 12524.78 13632.88 3524.81 12010.29 17996.49 2663.87 11248.31 8795.36 12266.23 14073.79 7258.37 7906.86 8173.09 9472.04 17381.28 11616.41 7714.29 15488.57 8849.03 13677.63 10824.43 9512.41 14205.42 11591.08 11257.17 6293.27 10489.11 8622.39 11049 7423.05 3833.55 12410.67 4680.62 10651.23 9109.39 7305.16 8303.1 4026 11314.23 11350.71 9537.47 11235.5 10989.69 10210.97 15539.5 4371.96 11477.31 13050.69 10336.74 10403.24 10279.36 10400.1 10297 10277.18 10384.28 10396.04 9978.16 4-Oxoretinoic acid 1444.73 2164.06 7269.34 4538.62 653.3 5365.93 4362.6 1659.24 2333.26 3038.92 4839.55 3495.34 5588.75 2551.08 2795.68 5769.68 5412.84 1826.38 3243.72 476.66 880.75 2059.7 1538.52 5064.97 2576.61 2222.57 4735.22 3914.76 1109.05 1575.06 1334.32 1689.29 1563.67 4758.36 4964.01 747.13 2633.35 3080.84 2916.02 4328.26 778.14 2097.81 1851.36 3669.71 2243.45 4413.85 1217.7 1812.09 1680.27 5888.15 755.52 2569.01 3342.82 6683.09 640.65 2807.17 8668.59 4700.12 2420.62 3062.95 5904.44 4948.31 3075.15 5473.13 3096.13 2025.46 869.54 2868.03 4565.8 1595.16 1940.2 5087.19 3642.85 4094.77 4570.12 3152.83 3602.03 3148.47 3280.92 3126.65 3138.22 3284.95 3292.51 3024.63 Spiroxamine 18543.91 13821.49 3605.14 6107.69 10400.82 25414.58 14900.8 16189.86 15706.29 14473.95 9593.56 13638.67 6027.64 11510.69 4159.44 5927.59 2242.2 8861.09 4045.72 6906.58 10826.34 14313.92 5508.15 10850.54 13166.07 14216.08 10510.51 10071.38 21664.11 10095.47 10732.26 7805.44 5250.38 15010.02 4082 16078.83 7339.26 14046.99 10790.65 5350.43 10538.59 22245.39 7214.82 8644.4 31654.18 6368.43 15241.91 12705.61 14127.56 17931.24 14485.42 15369.96 5502.27 5721.31 1834.56 24266.52 3600.33 1946.98 2394.52 4547.78 5343.28 8176.73 13251.37 7011.09 3156.48 9234.3 16739.41 5945.25 16685.95 11258.76 11030.84 17033.98 6509.16 4900.27 10290.8 9853.62 10046.37 10051.69 9636.01 9440.42 10075.16 11355.67 6050.89 9433.33 Ile-Trp 3444.8 4509.49 2058.27 1358.18 32050.88 12097.37 8246.69 8814.63 11929.35 4860.01 3088.96 12449.28 5329.54 1151.16 20536.85 7810.32 2514.09 2345.36 12299.56 4435.15 4149.5 6050.34 1375.58 2266.59 2294.02 12070.98 1756.27 371.88 3164.59 1569.08 2709.63 3169.08 9193.71 6425.55 2492.46 4391.75 5184.42 4319.46 2658.28 5230.24 1821.2 9078.41 5023.97 2065.74 3882.25 8861.2 2734.71 3006.97 5888.34 8420.26 14784.37 1913 3780.66 11911.64 6495.62 2438.05 4413.28 4382.3 3591.86 13258.97 1044.84 1188.87 4887.26 5206.05 1686.06 11709.12 7177.2 1420.61 3462.43 7894.5 3297.15 2573.34 4400.04 7698.58 4339.76 6077.25 6111.75 6266.82 5876.27 5954.47 6215.86 5145.44 6388.9 6130.9 Lutein 18654.21 22084.87 18398.84 15513.55 500.93 39252.33 19808.82 502.6 26058.49 19223.86 15074.07 17989.15 21777.83 17567.03 28304.89 28623.18 14429.22 20613.76 28369.34 34983.78 21812.79 13535.1 14136.97 15607.76 12776.83 25264.67 13875.89 555.08 22605.86 25188.74 26586.87 45694.64 9433.25 9111.37 13863.63 17437.9 21134.6 17476.67 4122.79 12647.99 24116.44 71641.79 34318.63 14445.89 47894.32 21500.43 5675.94 27709.35 22892.69 31542.59 15877.1 24156.85 27111.12 21416.72 24742.27 33530.09 13037.75 950.95 7841.19 17955.98 9102.44 3260.12 16279.93 10637.07 14292.75 16960.1 81799.94 26849.77 21691.38 21311.64 18228.25 31025.62 20973.35 9499.1 30658.05 22263.96 23853.94 23334.19 21511.27 14434.27 22349.23 22374.83 23406.62 23334.21 Tetradecanoylcarnitine 48036.2 36905.1 50638.91 38427.32 21709.04 11865.61 22394.77 38755.87 36236.85 37566.34 26545.43 19111.63 32124.51 36985.49 36552.24 32838.09 30190.73 24461.05 44868.1 44502.77 105499.44 8767.04 32577.05 46927.77 50211.41 35069.02 104941.63 38768.97 48043.55 14107.52 98077.43 32740.33 25146.38 61830.36 45023.8 74695.21 105726.48 26789.35 41343.53 114411.72 17431.13 21190.04 38192.73 31133.39 42366.25 27269.56 40707.11 46332.65 35975.48 34234.1 43337.53 32124.83 32399.28 43406.96 31546.51 38270 39335.73 35955.27 112886.47 24263.7 40201.71 39067.4 108431 120786.15 107619.51 110042.27 49850.12 39753.3 44153.93 51985.26 47764.46 119920.72 33033.78 24198.34 43205.6 49334.75 37593.01 55391.5 31405.01 55032.14 63086.07 70342.14 51286.4 50889.55 Arachidonoyl Serotonin 1850.18 8547.77 3714.45 725.41 20393.81 15390.03 21133.08 1183.11 1930.1 2978.19 659.99 2249.79 4896.15 861.63 2986.35 7079.69 2731.96 1499.64 4859.52 1314.22 4705.14 681.52 2123.99 2680.61 3012.58 3284.37 1763.84 2385.02 3524.84 3919.67 8282.6 624.2 1879.31 4638.24 1184.86 641.89 2163.98 6797 1130.42 1898.92 770.06 3751.06 692.49 927.14 5713.78 8006.19 3871.89 1029.33 1588.22 17875.17 2991.45 3830.76 2383.25 1624.58 519.81 2524.89 1768.37 579.26 2035.35 1363.91 600.66 1620.61 5140.89 1792.93 1625.86 3461.91 9971.78 1603.63 994.56 3656.51 6920.97 3189.78 1938.12 905.68 25065.75 1864.81 2149.83 2012.96 2308.91 1293.22 1500.46 2347.92 2410.35 2248.52 F-Amidine (trifluoroacetate salt) 10267.12 9571.31 19264 51536.45 40466.82 1555.35 51361 23724.93 25430.65 25294.77 31122.81 35695.67 46668.6 28600.7 8480.28 45938.87 20281.86 23554 51674.97 3403.29 26161.03 4221.05 25419.26 29047.12 27515.08 32001.64 29004.18 34040.41 28841.55 1759.69 27301.27 39509.07 2150.97 30506.86 30870.36 27419.13 23418.05 21417.52 26760.19 24201.2 24773.73 29470.55 31833.98 20929.17 31520.94 37074.07 33850.34 41324.78 33964.44 53815.78 22319.08 19819.92 28258.36 36598.41 14637.79 26212.66 19859.15 18632.09 18552.74 2262.86 24533.66 20972.2 14460.55 32045.94 24028.21 29433.85 22759.63 29292 33541.44 30172.52 22206.97 28541.51 27556.92 32732.68 37410.84 32429.33 32389.85 33946 32949.24 32501.03 32963.42 32125.42 32925.82 32276.92 Lys-Val 741.99 4788.5 1134.48 1847.5 6011.46 7157.13 2681.34 1109.16 4441.21 2342.89 900.83 2256.58 2059.22 1100.2 1308.67 1463.41 1089.01 1959.09 1760.21 4143.98 1015.59 3030.32 569.62 809.87 3648.02 4959.64 2204.68 821.22 2948.56 1488.99 4410.46 2778.35 2737.3 821.85 923.03 2186.7 1383.08 3994.45 793.59 1877.03 1173.62 2799.88 1968.49 971.02 7364.77 2544.36 2709.9 1587.27 1171.58 3382.88 3170.04 1050.05 1026.81 1312.08 2360.66 2403.54 1831.32 1416.37 2225.36 3128.82 976.71 1868.71 3120.34 2107.81 2445.65 4516.01 1672.92 1064.5 1115.58 3106.06 2338.1 1401.92 970.26 2131.99 2301.4 3578.23 4400.03 1941.97 3542.01 3827.32 3161.74 2533.46 3271.41 3092.24 Methylclostebol 6995.86 1717.38 3206.35 49713.98 16011.66 5042.07 8586.8 5256.6 5446.3 4291.46 3294.09 4196.87 25992.99 6132.15 3671.17 11621.73 5264.94 9361.31 6200.14 2340.06 6177.55 1902.85 2206.45 3053.73 6113.98 2462.43 5320.77 4437.76 4346.44 3860.55 1897.64 7367.11 1899.68 5017.4 4914.72 3475.27 5623.97 4465.54 4249.94 4317.07 25882.2 15535.57 5070.3 7077.53 4115.92 33328.85 9446.69 6220.85 2446.71 4587.07 9203.83 4823.89 5484.75 7311.17 22595.58 5258.95 4307.46 735.48 5011.39 11953.75 3273.75 4735.64 5249.42 3533.07 5378.5 8673.1 5037.63 2612.64 5544.94 5024.11 3826.97 5725.02 4282.42 5603.07 5975.39 10061.34 9689.05 8600.28 9563.24 9621.08 10179.21 9894.69 9714.4 9796.26 Tetrapentylammonium 2554.65 745.32 6508.9 3978.28 2991.5 3603.78 5243.41 2788.37 2187.48 1808.66 873.87 1766.68 4516.55 1952.09 1721.76 4027.48 4040.05 1389.04 3353.09 2139.42 2297.68 3252.31 3750.41 3510.37 2224.42 2045.96 2918.14 1136.75 1525.27 2242.87 1682.87 5644.56 1269.67 2210.05 597.15 485.49 3901.75 2525.98 2100.97 1812.15 2450.17 3681.83 1538.2 1249.02 2092.75 14059.76 1566.64 2047.6 2747.17 2666.86 1966.53 2519.08 1967.32 1611.44 2450.71 2296.43 6047.74 1235.93 1610.22 1817.86 5093.13 3159.04 2034.54 1345.05 386.44 2618.04 2327.14 874.34 1745.21 1616.56 1791.46 1637.32 2766.81 1670.08 2904.64 3025.23 3233.15 3145.69 3262.33 3185.6 3549.88 3147.11 3235.28 3023.15 Resazurin 1695.34 2003.49 6631.37 13113.7 1020.06 49728.76 2767.54 976.09 2003.98 2316.8 1167.87 1025.41 2229.73 2682.06 1871.05 1289.17 3854.8 1559.92 2416.77 2332.94 2279.16 43160.68 1244.97 3965.72 1221.96 1099.55 1135.42 2745.63 1357.65 819.17 1830.4 2422.25 1348.94 18089.05 3984.23 1351.1 1675.06 55476.05 2520.87 1103.32 2005.04 1329.34 2032.97 2179.01 2233.59 1501.82 2691.03 3412.77 2416.23 1114.76 2178.57 5545.96 4160.59 2051.72 2381.96 2565.35 23042.98 25273.91 1078.37 40888.53 2463.47 4428.05 1936.87 3904.37 1260.18 420.07 1628.53 1681.56 1064.78 1414.68 1934.4 881.24 2474.25 8088.62 2396.47 10587.81 11248.31 10588.43 10427.21 10214.24 10561.12 10589.01 10498.91 10301.34 Petromyzonol 85088.27 80218.95 40355.54 67301.52 29109.31 42227.64 41205.32 71330.79 71257.44 91515.52 68206.45 57050.98 50773.96 90423.03 74272.1 57186.34 73028.04 73548.57 52097.46 74103.66 1120.51 67555.61 37035.91 76353.48 59882.51 2496.64 91579.04 88866.33 48644.01 80499.51 74941.77 64853.19 40488.06 66014.83 79908.49 58941.84 78790.03 101346.87 88352.63 108731.41 75487.02 74546.86 80857.23 104247.95 86596.22 65729.86 69373.31 60491.6 42695 66439.57 69067.28 62859.12 67336.5 70415.48 56553.79 83774.42 74677.86 96279.06 75656.38 101164.75 88325.77 96092.86 63027.58 55811.16 62911.51 73476.92 94051.72 89398.7 106144.6 66775.83 90587.61 88005.72 81813.19 72418.19 78914.08 57819.81 47201.2 58556.43 51714.58 56365.96 54997.49 54811.18 54047.5 52717.63 54579.11 49197.32 55191.33 60066.83 54527.23 51632.82 44368.16 55141.09 54516.64 53412.87 52987.27 59736.04 54735.03 58299.87 56468.37 54576.29 67536.96 67379.28 67803.94 67463.04 67382.1 67181.53 67798.28 67930.38 69680.76 Dimethyl suberate 23554.04 25131.45 4696.2 18587.39 32541.49 6231.69 1411.35 27561.89 19434.9 2387.76 24197.38 15370.26 15629.64 15766.08 37863.39 28450.04 15804.21 39815.28 26462.74 23521.92 26173.67 6885.73 10187.22 22022.79 23245.61 30864.66 16969.54 12990.47 25066.05 8937.85 32480.28 29024.17 10919.77 7816.98 33020.2 24024.69 22206.97 9169.97 8443.68 17093.22 43981.15 39372.49 18044.74 14514.65 22626.01 14551.56 40501 20013.34 7871.42 24735.2 8893.54 14553.32 12905.86 16081.13 39982.82 29358.68 10875.27 15187.08 20589.83 15844.43 34370.91 10986.23 21889.96 17392.46 15281.64 31796.36 16390.18 15251.75 28761.91 29609.67 15273.65 20403.47 17681.6 17799.42 16289.37 5246.2 8987.27 5437.51 5040.7 5061.48 4725.63 5238.54 5116.39 5174.52 5500.36 5619.28 3484.91 4884.78 5135.27 4605.63 3896.97 4538.13 4088.95 3991.85 6572.99 4944.92 5216.2 3741.02 5228.46 4815.29 31145.12 29572.41 28923.18 29954.11 28042.78 28341.04 28445.62 32027.01 28540.9 Lariciresinol 7060.23 5340 3090.94 2009.23 9540.32 13861.38 1862.12 10636.58 10316.53 8463.34 4102.75 15872.16 8549.13 10728.71 6379.59 8651.06 510.99 14431.46 19012.6 11405.31 11888.15 4006.32 7086.09 4368.47 13375.28 8092.44 3080.88 2629.74 11035.02 4691.53 5458.05 26654.18 4589.73 8845.28 4972.08 13550.71 10464.95 9096.91 4906.89 3899.5 8308.38 13004.99 8897.27 5927.56 13302.64 8966.77 6529.64 10590.17 17352.36 16228.91 11866.55 12261.18 10371.81 5711.16 10231.04 9882.09 1282.04 4107.17 19718.65 5432.26 5450.15 5747.51 12906.44 7422.33 6519.56 13200.93 7532.46 4132.84 4725.57 10050.89 7652.71 5750.92 9584.3 3444.99 6090.29 12169.79 12245.51 12753.78 12656.11 12135.4 12696.33 11919.09 13175.84 12787.86 15-keto Latanoprost 154757.06 138925.84 233501.89 143116.62 123089.5 35724.31 138310.63 194483.56 224203.75 157984.36 112467.01 73713.07 103410.55 148546.97 154639.58 199177.56 145797.41 80037.04 238238.62 130561.02 178192.75 44520.51 186278.95 232693.49 198463.56 115259.5 225677.73 174607.6 165846.2 62038.49 73098.38 142954.34 100600.82 186893.27 196124.89 213898.23 159219.29 55713.61 175869.05 157321.57 85736.87 150917.13 183396.67 117979.86 161910.29 123262.5 190090.29 184802.87 226928.34 155690.55 157519.31 172939.89 160563.8 168124.2 198495.47 143290.71 156981.86 135928.21 120745.39 57466.92 178814.2 169932.12 249316.3 202612.41 181924.5 156928.27 101543.04 182710.86 142033.18 255702.64 218079.29 193444.27 150547.02 141743.01 179484.52 163410.63 165449.39 161643.91 165410.98 163482.49 165370.53 163383.9 166802.35 164334.1 Anandamide 2562.93 2681.69 3408.11 1100.16 7760.56 13269.36 6327.52 1427.75 965.68 2104.63 1633.16 1567.75 3587.78 1475.91 2511.97 4069.52 1088.09 2212.93 1842.93 2197.63 1267.17 1529.24 1190.75 2192.01 4327.57 3516.2 2834.39 2588.87 3798.13 2891.97 1884.95 859.87 1540.76 5871.74 1565.67 1602.06 1909.42 2112.58 1223.77 2167.14 5833.93 1942.28 2118.1 1338.32 1893.16 1844.56 2445.75 2129.11 1517.21 3845.18 2877.75 2496.89 1949.08 4349.32 1583.36 2070.12 2410.83 2014.01 1713.51 5848.53 1957.13 2526.17 1284.87 2402.7 1031.41 2968.94 2278.86 1339.09 938.88 1723.71 1920.03 1281.1 1689.01 2233.14 3031.47 2866.13 2971 2843.36 2821.08 2821.64 2867.94 2745.83 2780.56 2868.81 9s,13r-12-Oxophytodienoic Acid 1772.2 421.95 2455.26 33314.46 63694.65 85807.56 136854.75 1933.75 568.53 1015.49 255.98 1284.39 19757.81 1054.68 344 5533.79 607.87 349.14 296.55 702.52 174.97 188.54 1374.8 849.45 1313.12 212.86 1772.93 531.44 380.05 255.08 92.81 3320.4 157.26 4593.38 2209.32 433.28 660.09 2970.49 2616.04 1945.66 34882.3 4516.98 791.06 3318.36 1216.81 27597.29 411.58 828.35 781.51 2062.68 3604.37 1137.88 1911.22 4426.18 4698.85 704.13 1304.77 1330.28 1578.96 5001.46 884.49 4298.28 2157.43 1072.54 57.81 3323.3 731.01 576.54 220.27 297.62 230.15 1003.33 569.96 2328.49 4565.4 13215.38 13040.7 13075.99 13006.4 13081.2 13205.86 12773.22 13319.98 13215.76 5-Phenylpent-4-enyl-1-hydroperoxide 27146.79 21412.99 31794.43 40551.08 29518.69 32459.45 49668.97 31314.29 27432.16 36012.72 48137.26 45067.55 39797.76 39192.38 24460.16 53223.45 34122.73 20737.92 49360.91 29818.45 24844.07 14216.98 35749.83 43989.22 27579.18 23012.22 48747.17 54632.35 28626.91 32889.59 24949.21 63729.28 14497.13 44371.36 44378.72 28011.67 23592.67 22259.87 43654.87 38125.73 28161.1 41202.26 49551.37 35740.17 28318.31 37330.6 24349.6 39007.68 38856.4 63142.25 30039.65 22749.51 40739.29 50769.21 22601.04 19709.28 22681.19 31063.74 21770.18 15221.36 31928.63 30401.79 20693.77 36552.64 35475.82 28331.39 28250.62 37938.03 39298.92 23814.3 20929.01 39547.11 36048.34 46784.24 45294.59 33803.24 33807.06 33627.33 33759.67 33521.22 33803.81 33623.34 33805.75 33648.57 Isopropyl unoprostone 872.73 2325.02 127.6 553.77 922.03 3729.71 1685.3 8609.09 3716.69 1422.08 1064.9 789.4 1631.91 4628.18 459.32 903.44 1602.74 254.06 1258.17 438.04 6800.6 1089.34 409.18 697.09 884.72 309.1 851.08 426.08 1278.03 706.2 1343.08 1716.32 1713.55 1571.38 1162.92 10845.14 2966.49 1971.15 499.73 726.29 16546.56 14462.24 1308.28 2052.96 14903.09 3675.44 11594.73 9466.14 916.97 4584.88 9661.79 5299.55 1130.16 2735.96 10214.59 4983.84 815.31 236.97 10629.81 7016.99 522.35 1008.16 7486.87 1361.08 1033.01 8086.36 5523.48 984.47 2221.58 5984.14 4729.92 1181.06 1528.37 615.53 1352.13 2267.81 4527.72 2625.75 2606.42 2214.15 3036.42 2730.38 1356.3 2397.07 2491.11 2730.03 2523.87 2457.43 2602.15 1980.51 3566.24 2716.63 1657.16 1887.93 2612.31 1894.97 1936.27 2705.02 1305.3 2600.73 6520.47 6839.77 7366.79 6478.96 7248.37 7236.81 7182.48 6980.66 7181.93 Bisoprolol 710.09 843.26 2235.01 2731.2 1893.4 14884.36 58299.04 21133.91 2119.47 1947.45 1295.59 854.48 17045.37 854.39 1041.16 1004.84 732.34 1082.76 822.13 1121.28 11095.02 206.91 1049.84 1029.96 996.05 4386.12 303.54 745.88 1645.76 368.85 547.71 337.04 4576.82 2254.67 2895.75 1335.54 6637.51 1898.7 1192.78 982.84 17231.91 767.5 863 1903.19 1029.78 845.76 1526.05 1165.59 7768.85 4773.24 4480.39 191.74 1387.87 886.98 1036.88 1090.59 2637.46 2115.8 10643.21 4127.18 669.78 1008.17 1898.08 1575.98 942.53 2275.13 928.59 412.45 986.8 8617.57 782.96 2707.4 1468.75 7589.49 3742.68 4401.42 4358.69 4207.82 4393.59 4360.05 4407.49 4406.66 4407.48 4359.61 Gln-Tyr 13651.74 20314.7 21147.01 24063.67 25565.79 4745.07 35548.35 24614.21 22655.51 14720.62 12213.36 18491.05 19865.2 24660.37 25101.34 18879.26 18497.5 24774.31 9569.77 39078.81 14618.14 16693.13 13658.27 25817.02 24392.23 23312.3 33815.64 24260.85 28566.64 18545.12 23142.26 19214.89 16747.21 14090.97 25069.91 23900.98 21531.38 21037.07 24359.96 26419.23 19937.51 13568.54 27185.22 20310.66 17829.71 38627.5 27254.84 18235.58 22871.35 17432.93 15182.17 18805.46 16169.17 30848.45 27197.17 17066.54 21940.64 11923.07 18547.04 21962.45 20519.78 21168.94 16437.82 28832.24 18833.84 23758.65 19869.75 15093.66 27619.01 17318.35 21532.38 22667.8 17467.79 29176.15 23052.73 18319.75 20261.9 18718.56 18925.95 18887.38 18168.1 16754.22 18871.61 18885.71 Tyrosyl-Valine 29915.18 41600.61 2304.18 10134.01 14181.15 6098.7 14430.31 66670.84 34398.81 36314.25 14751.37 20696.32 1116.9 21841.7 38513.05 21949.75 10651.96 65697.39 36542.34 96299.22 64417.54 12560.55 8818.76 15584.28 52187.49 60023.9 12847.77 10546.83 62408.15 6755.82 70501.98 45158.23 23050.78 5137.44 16367.1 53454.47 49697.47 6809.73 12534.51 9473.56 81389.99 63741.19 24072.92 4359.07 81974.89 3903.4 76860.9 31087.51 7946.43 37656.05 18795.08 51173.02 19602.83 9519.24 22645.82 48278.08 2596.23 6877.32 38101.33 1548.18 7369.95 9900.86 24090.22 18403.51 12117.08 49727.74 56484.7 17628.96 12296.39 37216.87 32845.34 30519.91 20045.07 10948.33 11224.14 21958.29 20689.29 23926.54 22020 20289.28 20578.75 22117.41 22108.49 6603.39 7-Aminoclonazepam 3956.9 3447.22 3168.14 1511.2 4454.2 2569.08 4015.93 504.8 1395.56 2703.09 3695.59 3121.01 4912.06 3292.4 595.93 721.21 11378.65 517.39 3428.06 3337.68 960.38 415.55 626.37 2580.82 2524.27 1190.91 592.5 499.45 11552.45 522.03 2260.44 1655.98 3078.93 444.18 1973.4 865.87 3465.48 1606.58 3758.56 3198.99 2892.37 5846.16 3023.12 1553.2 4973.89 36921.71 462.23 1594.48 17502.91 6381.83 1540.69 6248.41 509.37 4250.88 1795.86 4539.57 5863.18 1816.61 1540.88 5861.14 511 2173.33 3826.74 492.08 2222.87 5727.29 3400.51 24658.97 2483.5 2986.08 2479.84 1981.83 635.78 2426.59 4893.64 3753.5 3838.82 3771.15 3837.57 3947.59 3792.55 3768.91 3946.27 3770.38 Phosphine-biotin 533.26 668.19 12334.99 5254.47 16523.9 2559.66 12877.88 17276 729.44 8844.53 9723.43 4141.49 725.24 634.35 1139.66 705.87 910.71 467.33 16345.12 1494.19 551.83 2747.87 10577.12 1055.11 500.04 744.62 549.04 1189.86 1658.01 2423.83 964.91 1055.33 553.26 8989.67 9105.72 10488.57 9744.56 9156.49 10511.28 7799.34 16334.38 9482.54 8332.86 8071.2 10187.7 10136.38 8390.17 9564.5 5995.09 6679.14 9115.78 10098.45 7632.74 10189.47 11680.37 8624.43 8321.11 6661.29 9794.1 8288.98 7995.66 8530.18 10985.12 8905.8 9576.55 9638.72 10321.21 8300.62 8191.26 11507.65 10278.86 9065.46 7637.6 6628.76 6838.89 4153.92 5863.38 3178.83 4534.43 4053.21 5036.12 4465.8 3207.09 4496.76 4412.45 4673.04 4381.34 5132.74 4409.35 3829.04 5180.55 4058.76 4926.74 4252.77 4178.33 3880.67 4335.41 4591.75 4842.89 3765.48 10208.19 10198.6 10438.27 10198.57 9684.58 10053.71 10000.17 10074.55 10102.78 alpha-Hederin 1046.15 562.41 3812.52 2431.92 607.07 436.78 3858.5 1484.79 5972.82 845.11 10596.2 1057.13 11713.03 9991.82 674.43 11346.83 2980.02 3083.66 2712.39 4103.18 360.65 464.15 413.07 1284.53 427.75 4821.08 2095.03 1456.16 559.51 365.02 652.1 11361.27 1350.39 6064.08 5714.86 2830.1 2880.29 2453.28 4490.82 3161.7 3759.18 3622.95 3334.67 3727.61 5428.6 7050.94 1059.05 6564.86 2571.46 17915.57 2390.37 3474.62 4250.87 7580.94 2600.8 3120.1 2345.59 2871.15 2901.3 2858.8 2715.31 2449.52 1611.68 3923.5 5392.08 2589.17 404.17 2412.6 5246.62 2531.46 3514.56 5278.09 3527.41 1913.45 3604.59 2630.22 7052.47 2972.1 2576.0 3031.69 1744.66 2169.15 3000.9 3136.04 3053.97 3863.59 2845.33 3259.25 3698.41 2564.6 4625.49 2958.59 2923.27 3841.52 3206.39 2969.3 3112.79 2730.44 3224.89 3032.09 5313.84 4774.05 4671.15 4741.58 4841.6 4762.39 4915.73 4902.06 4922.21 7,18-Dihydroxykaurenolide 1049.53 2531.86 1414.14 23150.93 34889.81 33129.26 37844.02 2476.87 5677.67 3168.78 3355.28 2907.53 2405.86 6034.34 3013.71 3094.25 772.92 1984.85 4555.94 1862.39 2030.94 2479.11 2942.69 2602.42 2868.71 2838.97 1880.14 1925.44 1774.6 2685.63 2136.04 20759.66 912.43 5334.53 4279.28 3778.03 2863.15 3796.12 4009.86 4667.97 15900.59 7725.71 5084.56 5355.98 4119.27 23620.61 4317.12 4099.25 5049.02 9434.89 5772.97 5360.93 4849.04 9104.34 8057.15 4003.73 3767.79 3226.48 3089.56 5685.12 3016.69 3154.84 4988.03 3940.5 3275.79 4101.66 7567.39 4950.6 5188.34 1881.28 4126.97 3962.71 5853.3 4866.35 6641.36 8363.21 8289.93 8204.64 8134.61 8237.53 8302.77 8117.66 8118.9 8133.1 Ergosine 5872.05 4262.07 2640.19 1706.75 2385.93 5241.08 1484.32 10593.58 8711.63 3917.16 1900.41 7271.35 3046.92 3752.6 4085.54 2094.95 1946.76 3040.78 7960.76 9594.57 7111.43 3581.55 2697.65 1035.14 8406.99 5914.83 3641.71 760.9 9056.21 1327.88 8821.45 6599.61 8915.39 3599.64 1358.04 13986.78 12466.6 4760.67 2514.66 2264.03 11726.22 16808.73 2030.41 1156.44 26102.86 3953.29 13631.56 1904.26 1666.12 4839.02 5376.92 6497.9 2153.44 2275.38 4177.33 5756.53 1877.74 1415.14 14415.29 2260.69 1355.2 1885.17 612.63 3489.03 1110.05 3106.79 3194.93 2033.81 994.86 13816.12 2690.29 5935.1 1104.41 2325.99 2805.13 16805.17 13957.98 14456.71 20301.79 17726.88 7488.46 6148.36 14182.22 20919.85 1131.58 2458.17 5603.62 7238.48 20300.01 5483.37 9911.93 7503.68 16024.84 7790.05 609.16 4796.21 1636.82 4964.61 3828.14 9839.54 6505.71 4610.12 6228.24 6170.59 6428.92 6053.15 5955 6372.65 6366.81 (-)-Tylocrebrine 6435.18 809.64 3125.12 3955.98 3498.28 3899.12 30960.08 2878.6 1306.97 3165.25 1173.92 1574.53 2271.8 740.49 1929.66 3344.96 3010.98 3320.25 912.21 3096.15 3632.98 1882.15 1851.51 2006.97 3333.81 1488.01 3552.98 837.83 4292.94 799.35 897.73 1510.56 4012.93 2065.65 2549.31 1836.45 2489.52 2933.42 2960.86 728.84 8748.09 4662.13 2627.53 591.18 2613.78 1626.47 4155.05 808.99 2803.03 4301.03 2633.78 3114.57 1913.75 3518.62 3234.01 3303.53 3079.54 2152 983.45 3025.16 2799.83 2385.73 924.48 3358.84 2508.92 3338.31 3635.73 1993.3 3270.09 2166.4 1179.61 2671.68 754.18 3964.69 4439.38 6030.84 8809.36 6570.74 14061.27 6416.86 6777.41 6843.4 5703.87 7157.44 7445.12 4460.64 9614.96 6627.52 5434.1 7040.64 6014.19 14171.57 14967.52 4613.57 9865.84 8610.95 10747.72 10043.98 9605.71 6729.34 7903.46 7991.18 7900.87 8061.42 8515.32 8064.18 7861.93 8161.16 7905.6 methyl 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-ynyl]-3,5-dihydroxycyclopentyl]heptanoate 17978.54 15941.97 17451.94 13643.62 4409.71 36345.3 27389.37 21002.26 22068.63 13601.75 24445.34 32495.3 8201.46 15867.03 28685.06 32745.67 8304.87 14315.18 23685 35602.07 13946.66 14024.52 19029.52 20952.78 5818.79 25763.47 19026.17 24850.65 47991.19 13419.47 6066.41 61673.59 12577.46 26503.9 12222.37 23631.17 10838.28 12546.65 12666.09 15754.17 27813.72 48462.57 18364.02 15889.37 55143.79 36789.32 19614.71 11380.14 26433.76 55875.7 23917.72 18362.03 7623.91 28086.86 11783.34 15112.14 4469.14 9572.11 11596.35 12244.44 4236.69 8871.12 11939.03 20932.38 10560.35 26405.23 10867.67 20195.89 15964.02 12274.41 24588.17 26745.93 26489.56 34946.23 26241.07 26416.82 26480.75 25456.8 25409.12 18871.07 26414.98 26447.86 28469.25 25174.2 Neryl acetate 3329.87 4532.6 3897.23 4332.18 3354.89 4065.15 5933.02 7316.64 1984.47 4206.97 7765.35 4634.52 4392.17 3367.89 4060.78 4931.67 5105.76 5604.69 4249.42 8290.54 5177.62 7368.12 3470.51 2926.91 2422.26 3457.93 3646.65 4344.2 2728.69 4837.82 3598.76 4305.54 4250.95 4761.3 4755.66 4850.57 4500.84 4286.64 2840.09 5125.24 3856.12 4510.26 5039.66 7733.56 4682.48 4089.76 3662.53 3629.43 10225.04 4588.19 4404.75 17194.55 6230.33 4813.59 6941.22 7544.15 4163.23 8151.31 4520.75 5360.14 3269.13 4968.6 3180.7 6801.75 4187.01 4288.32 4050.86 3954.67 3979.04 3643.74 5924.88 3909.07 6535.31 3027.97 5527.21 6392.7 9928.56 7634.2 7549.82 6114.09 6396.06 6042.14 6883.46 5581.49 7691.31 7846.83 7426.37 7342.76 6218.64 6345.15 4292.91 6338.88 6333.57 8485.56 6487.21 6112.51 6448.38 8506.29 6098.17 6234.26 5058.63 4847 4909.43 4600.09 4909.28 4695.15 5187.85 6260.41 5420 (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride 10598.29 13014.78 10339.27 7289.22 1619.57 5886.21 8684.34 15707.47 9190.77 9487.34 16669.11 10371.96 9564.08 11748.75 10121.26 8058.51 11175.15 10724.58 8884.38 8910.81 13068.36 8802.74 7998.53 8153.85 11364.05 8520.82 11141.94 8848.73 11081.84 13022.17 11455.53 9065.07 8489.61 9471.56 11785.34 8619.82 11105.24 10421.64 11704.75 13051.34 8446.99 9046.91 12058.17 11172.82 8557.69 6480.08 8806.83 8424.58 3010.83 7023.02 8594.66 9942.69 8419.47 11867.98 12313.18 10574.38 10865.11 16396.82 12024.97 12918.21 13188.35 12191.68 12126.69 7722.63 12226.24 12672.45 8999.25 15241.26 11448.03 7961.07 12621.46 10763.37 9515.58 4244.91 10969.92 9337.15 8709.61 9222.03 9221.81 9316.94 9473.87 9492.39 9356.02 10051.12 Epoxideoxycorticosterone acetate 9087.88 8365.58 3151.07 4703.55 4359.98 3615.21 5020.96 6414.33 7119.65 4921.03 7126.25 5678.3 3439.07 6620 9837.62 1747.59 7160.77 11497.5 5316.65 9591.55 5925.97 4134.21 4456.25 7600.24 6061.4 4564.82 7193.27 7498.13 4934.34 2973.05 6597.5 2994.75 3302.2 4675.72 8013.4 1743.31 8354.82 8320.01 5542.99 11181.75 4604.64 2380.8 10572.63 7384.53 6969.9 3192.89 8682.66 4598.52 3303.92 2180.35 5178.7 4859.49 3114.16 4139.63 10472.2 3254.84 9622.72 8223.73 6809.08 4721.8 3070.77 7518.22 9706.84 7112.04 4235.24 4994.24 5062.08 3209.71 9852.86 3820.15 9298.1 3834.16 6908.57 3215.88 3075.6 3389.63 3653.82 3025.33 3647.38 2859.51 3627.46 3658.25 3560.55 3412.31 Cetylpyridinium 53176.26 59710.4 52954.3 50106.04 830.47 38210.13 28121.98 16973.5 32650.53 32417.43 47215.63 1253.56 43172.08 101992.5 57264.97 50993.12 53591.61 55499.68 51061.7 56552.85 68710.02 40169.58 42105.79 54939.11 55801.73 58587.2 57953.75 59709.36 53660.82 68304.49 53246.02 53021.79 53512.41 66831.63 45090.75 84086.42 114181.73 59535.02 66084.45 69854.64 28675.37 32823.16 113100.59 50851.68 94149.88 12458.37 128563.95 64251.79 20395.53 56770.12 42900.76 44083.92 58002.12 66249.22 12742.63 101903.5 39997.18 44605.06 44965.61 37823.93 51643.26 38277.76 55793.94 52080.46 29916.58 50961.53 59154.37 45500.83 68794.26 37757.98 53318.17 58120.39 34426.79 50963.95 25474.49 8179.39 4401.89 10448.14 15928.25 13583.27 9489.91 7208.21 10749.89 9227.75 6145.01 4883.55 7990.75 8127.99 7617.78 5412.55 4106.49 8082.21 10742.07 7889.51 6301.7 9376.53 43488.08 9982.81 12362.26 11484.3 48327.35 48515.18 50300.78 50277.03 36540.66 48435.09 51336.38 50465.86 50111.23 Isohyodeoxycholic acid 135114.97 91114.21 334897.95 4705.6 13919.24 134040.33 86723.78 80689.8 226349.94 86027.3 139407.72 108427.25 128741.26 77095.8 116751.63 150976.89 402422.08 68701.49 151568.95 122973.28 133513.01 67859.58 171444.61 156859.54 167924.95 98023.77 117938.26 160464.9 247469.68 216085.32 66399.49 177986.37 204596.08 120271.9 104998.54 510330.88 102669.58 42914.28 135572.16 90706.7 11404.27 118733.33 82703.92 55937.38 141999.82 118998.43 161205.03 139136.38 169776.87 142700.98 86805.74 88116.44 86683.19 244347.62 174451.11 79867.38 58247.69 50373.6 154126.72 33184.52 170668.01 92248.85 254737.48 315742.38 118363.15 122041.52 64128.54 112069.15 172705.67 134395.56 131998.61 100451.6 92169.25 226132.66 50350.8 98203.76 39061.17 95540.31 101508.17 93944.92 103252.85 100145.4 100173.96 101772.73 Camylofin 860.94 9156.48 24364.59 6932.55 11428.53 6480.27 5133.72 17870.42 19785.83 10083.26 9631.79 12807.74 7391.66 10831.55 12932.69 25841.69 17253.95 10332.86 9698.95 12110.43 22756.65 8183.83 26592.84 14000.12 13895.88 4533.18 6399.13 3418.89 30956.99 10778.7 1327.88 7305.95 27785.59 23993.89 13620.46 16453.46 9544.87 2408.39 9658.66 9431.31 6187.55 8063.11 18698.73 4759.89 11489.2 7092.42 13784.77 18219.97 37392.71 17301.55 12147.88 20307.23 21438.73 15865.2 22277.43 11439.72 17572.99 12234.52 13034.52 8178.26 14840.81 8837.11 23415.27 7110.93 15071.24 12272.28 2298.06 11783.31 2686.83 14953.83 8196.27 8589.23 13043.44 18068.66 13926.18 12467.37 12511.86 12512.98 13043.88 12498.92 9207.9 14457.32 13378.99 13051.88 1-Oleoyl-2-acetyl-sn-glycerol 15628.41 12117.87 11268.62 95922.04 22451.4 20294.56 18749.09 20004.02 12350.46 12745.62 29224.02 15217.28 61594.53 14180.6 12733.36 53952.49 12926.03 15301.82 27312.91 16717.48 20286.88 17291.45 18906.1 10318.61 12520.91 13298.97 16247.54 20625.96 13414.46 16834.33 14156.07 29028.5 18221.47 16735.85 22222.54 13700.49 14939.06 28606.73 20768.42 15443.21 18410.91 27170 13315.86 25572.66 14321.17 52822.66 14718.31 16846.69 10783.34 14564.62 14327.69 13611.41 20416.24 15952.38 13267.51 13451.14 13050.67 18291.07 11996.08 12645.39 16611.56 15685.74 19187.92 18154.22 10406.16 22357.67 15891.46 14996.65 11439.05 19906 11770.35 11945.86 16843.15 17118.39 18877.2 12710.32 17695.89 15494.01 15274.3 15713.67 14219.78 14293.54 10964.49 13310.56 14034.15 8445.25 11145.05 11653.15 10343.67 7862.62 8121.57 17473.31 10891.04 14338.05 11968.47 12742.54 10142.06 10209.96 10625.1 9446.26 25255.57 26074.91 26468.65 27392.38 25979.3 34301.98 28309.44 28552.89 24955.99 Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride 5467.66 1822.4 440.84 676.89 3392.59 1510.92 1146.4 7149.34 7821.79 303.64 941.91 2638.56 1758.93 1835.15 1063.81 3369.72 275.29 4452.95 2605.48 6638.9 5643.75 1209.83 849.38 264.13 5578.48 2988.92 490.44 3652.61 6699.39 3437.5 7258.68 2312.47 3984.56 383.72 1076.31 5345.07 5756.19 707.2 880 3781.21 5816.6 5425.56 1681.52 1026.75 5559.51 645.28 6944.69 822.36 1400.83 4969.22 2384.44 1855.1 356 1368.2 2831.87 1919.56 564.77 404.87 4880.16 874.4 424.67 264.16 2497.52 1309.98 1833.99 3172.91 2476.19 2320.77 3071.24 5565.17 5107.33 1524 6345.94 268.12 1805.32 37879.36 40245.22 34981.28 30027.28 30479.39 38281.29 50043.58 30224.84 29044.57 30882.47 38828.66 13407.33 58575.39 23248.59 24034.47 26839.86 34165.44 45694.82 47126.29 40277.49 57694.99 38634.67 47659.23 33883.85 29987.52 3320.47 4707.65 4711.78 4703.06 4358.27 4364.52 3944.34 4661.08 5187.89 Carnitine C18:2 3296.21 8395.22 2221.63 482.79 7688.11 7759.27 2778.57 3755.91 8895.51 2326.35 1954.13 2500.28 1762.29 1597.39 8254.15 744.11 3656.22 7838 5194.38 13301.27 8493.02 7227.39 2848.76 1140.92 5576.4 3264.12 1356.03 891.55 10451.73 8652.46 5714.72 19340.09 2891.03 617.52 3637.35 4338.38 4791 4938.84 1448.06 3586.22 8182.01 3063.63 4177.45 708.09 8597.04 999.43 7503.71 6457.78 4121.26 5354.88 4703.94 590.47 2083.17 1422.17 5311.26 12219.81 1036.53 2866.29 4699.82 6746.64 2183.05 2074.01 4549.74 1666.67 1935.34 4618.5 8846.6 1301.84 2090.46 6811.48 5590.06 5314.85 3747.48 2090.92 1060.81 4523.42 5340.2 5107.54 4980.52 4612.77 2327.68 4967.85 4995.43 4505.48 1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine 9361.97 18946.94 8898.29 20590.46 23402.12 34923.61 20424.89 11868.58 14512.72 14082.61 16707.31 27265.29 54299.29 35597.25 22977.98 27539.16 20816.9 40127.64 35510.59 38264.06 28286.82 27625.59 23680.15 6905.84 9028.55 22633.72 9704.95 11961.64 21027.46 23614.12 33675.87 48382.05 33681.96 24499.61 13691.84 21498.7 16910.43 34324.71 17576.3 17420.8 43262.61 45326.65 20965.13 21072.75 34980.95 29266.42 25651.91 26670.2 29713.06 68689.77 37287.68 42711.2 22748.86 33844.11 18053.92 33660.84 21612.98 14810.27 16802.35 17626.65 14663.56 13241.83 18528.09 16578.35 12566.28 27328.17 44935.71 18419.67 15580.97 14573.05 23814.98 18264.91 18085.88 41376.12 31146.98 29447.43 29985.94 30465.6 30312.01 29879.93 30048.96 30479.79 30354.87 30569.53 Hederagenin 6423.33 4851.35 5062.62 8377.16 10851.55 7755.46 8554.62 11024.67 7452.18 10416.79 20806.31 7012.17 3943.36 5455.06 6370.12 4955.95 4410.01 4496.51 4020.12 3272.13 11329.95 2701.7 13208.09 12797.76 6068.14 6545.8 16815.83 15579.72 5498.48 3330.03 3254.17 35678.96 4894.57 8378.13 10411.06 2558.53 2844.2 3234.89 9011.71 7976.41 3654.36 6736.4 13125.73 9842.03 5275.34 16804.8 3776.97 16335.77 20447.69 21125.25 5764.95 5939.84 10359.44 18415.82 4436.67 3570.78 6553.91 9065.44 7220.57 2590.45 12218.26 14324.17 5221.52 13572.03 13208 4000.06 15797 9852.17 6374.94 4761.61 2810.78 5626.99 16915.25 15566.38 11466.88 8235.65 7834.37 7789.41 8560.06 8089.46 7996.88 8181.63 7790.64 7802.35 Palmitoyl Serinol 31844.78 17678.03 629.4 642.62 24781.04 117724.88 21047.97 23067.39 44630.25 23486.09 24415.86 74739.62 79978.85 52362.16 43030.08 74118.93 18568.65 57335.95 115609.96 139479.72 53329.04 49510.89 40335.94 27959.71 22837.19 58681.7 30199.59 49948.43 35931.29 47776.28 68827.9 157807.75 36539.21 73117.93 10880.49 45156.67 17581.7 29391.33 24501.29 9559.29 64167.93 68900.36 30964.42 19810.84 40921.61 53377.07 52843.33 78018.15 84275.24 178172.3 31112.6 35474.29 34505.25 59792.01 20671.14 30302.33 13110.92 2317.13 17950.6 7622.31 32742.87 46746.26 20159.67 14993.42 19067.67 38496.55 67301.45 50691.88 46137.8 18464.65 29821.16 60116.98 28249.71 20024.41 67536.04 53902.37 53893.95 54756.54 54907.03 54893.75 54720.53 54898.25 53895.08 54597.34 Vitamin K1 2,3-epoxide 1677.77 410.21 2680.89 902.26 5058.82 13684.49 14790.61 1402.73 229.79 2502.2 5355.88 1975.74 16180.22 1942.4 2007.48 19165.77 3170.55 4026.2 2830.16 3077.16 3207.67 1269.79 2258.39 1617 2984.21 1455.76 2756.56 2044.87 3999.74 5549.16 1042.48 12194.38 2285.05 20229.15 10657.97 1120.33 978.17 2697.51 2408.73 2091.58 10598.92 11727.53 1651.26 1499.48 1290.5 130187.75 1198.41 1292.48 2493.18 5484.42 1473.96 1617.47 1665.36 4066.79 914.59 1428.29 1152.22 1276.02 3313.05 1084.67 1075.9 1680.33 813.81 2065.3 3171.92 12389.79 1774.58 1444.97 2649 930.72 1252.69 2762.02 1416.08 16301.05 6663.22 6764.87 7000.2 6859.96 6917.65 6914.61 7096.59 6918.92 7006.43 7000.46 Biotin-XX-Hydrazide 37496.94 42009.57 1710.81 32166.78 45789.39 49367.34 3568.43 33075.02 32954.25 6880.68 7574.05 36697.81 3201.85 59351.28 48246.86 1305.2 23668.18 53317.84 4165.89 36575.21 35335.22 29259.36 2214.18 23679.8 27763.14 33100.33 1738 3390.49 3672.08 1851.97 47220.57 8949.05 17679.61 19046.61 14502.78 29761.87 28670.6 37333.1 7134.37 20558.49 54368.41 61917.84 17164.71 33971.61 51112.28 36683.96 29101.57 29018.83 29558.26 87408.04 70421.31 59294.6 19393.03 54279.71 38856.04 69699.13 21834.57 22847.22 35100.47 38552.39 12247.4 8948.1 49183.11 10476.89 15251.5 65343.78 71714.74 6747.7 22830.95 31931.88 24218.01 18790.66 15359.77 32410.67 16451.25 3981.64 4274.7 4438.4 4450.49 2814.0 2635.87 2396.32 3100.02 3615.18 3291.04 5094.27 2607.12 2939.63 3486.95 2350.46 2880.45 2886.34 2705.2 3429.09 2423.8 2497.99 2940.05 3019.42 3086.97 2201.56 38720.9 34318.39 35755.43 35725.41 34868.86 33583.02 35526.25 35751.07 35581.22 N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 54648.04 41885.75 37010.93 32623.65 57264.97 79746.47 72045.86 58384.71 99078.9 86553.96 37316.69 43849.74 89740.89 49916.03 56831.94 86302.07 37894.55 23369.57 66977.9 44190.51 80400.77 19020.03 71119.07 48815.57 39381.25 53866.81 32555.2 20580.45 24555.46 17592.61 26636.54 109139.71 32648.73 69581.52 49070.86 32476.92 42577.38 28813.05 35019.02 21935.74 29531.78 117123.16 53705.33 40454.9 9306.94 42800.36 32273.5 48974.84 35195.35 79354.68 64259.41 54968.01 39606.41 68505.94 37545.61 46679.86 38664.49 25237.84 48717.27 15107.15 28410.83 40138.27 32328.24 38772.8 26872.19 71284.21 99215.22 48988.51 35321.03 39299.89 45173.31 48932.97 31872.35 49738.23 62093.89 48777.07 48378.65 47087.71 48418.24 48063.89 48068.7 48390.32 48067.22 48185.84 20-Hydroxyecdysone 1200.75 279.18 1154.5 635.2 24903.85 11909.6 1119.23 10999.06 1516.77 1325.82 454.25 1950.49 727.38 269.02 12269.8 2776.34 1003.18 1113.44 2690.3 1076.11 20854.14 722.22 552 280.58 16359.66 14129.64 660.28 769.62 622.78 228.46 424.91 1381.87 12739.55 2108.02 597.25 8101.21 4361.48 4354.7 225.9 2678.09 4608.41 9740.02 3175.07 2034.85 52137.89 1069.15 11925.57 10068.33 737.53 451.32 3158.94 3728.93 792.29 1014.07 1481.36 4597.41 250.71 3251.01 13194.19 781.59 337.85 881.42 13991.53 1616 382.44 5760.51 7751.37 435.9 3339.04 16178.87 5156.6 1285.83 1163.92 3097.74 879.32 45104.43 24521.62 56863.55 43800.32 32987.53 26719.88 13976.25 32270.91 32234.19 5251.87 10040.08 10963.71 14067.28 26780.83 9544.85 15390.13 11946.15 70003.07 27574.31 9363.64 28483.24 7355.56 19140.48 31138.1 61770.03 5812.47 7583.16 5968.03 5958.76 4322.22 6600.09 5482.01 6520.65 7805.68 Benzyl butyl phthalate 2688.84 4702.98 313.4 13545.63 46273.06 6112.82 2028.99 1503.31 1260.28 2326.23 903.88 1643.85 19004.59 2447.87 811.68 2090.81 3625.41 2312.17 408.58 2300.77 2220.12 2980.23 2194.8 2917.3 1974.3 2121.76 1690.33 1281.43 1783.33 2531.07 1531.89 3270.37 1295.97 1638.7 506.35 1900.9 1972.16 2129.98 386.53 1774.88 1128.26 3678.17 2921.73 1766.91 425.32 23197.03 591.08 1677.64 451.9 819.92 8274.71 1849.86 1362.35 14604.27 15609.52 2840.51 1890.09 666.02 2202.23 815.97 2024.18 2435.19 378.63 453.14 470.83 4488.62 1928.36 1044.88 1584.19 1304 1508.2 2235.86 3030.93 1010.43 13717.87 3636.16 2719.72 1676.24 4003.6 2858.58 3195.84 3913.77 4596.32 3030.52 Drostanolone propionate 3220.19 13267.05 24706.09 5878.07 8366.4 4718.52 2765.94 10345.77 3432.75 3750.38 1283.53 14069.55 10905.02 6290.78 4877.23 12588.91 14868.38 1485.68 4999.56 884.67 4967.91 469.37 12004.16 8765.67 11009.02 1483.45 3630.51 1336.42 20415.61 1481.66 3742.26 2346.37 14916.23 7455.81 5018.73 11396.02 4027.05 3387.31 3073.96 1676.61 540.89 5165.34 10387.67 2046.17 1499.42 9064.2 4288.99 14075.86 12415.53 3041.1 6902.01 16823.71 25793.39 13681.19 13572.92 9128.18 15450.91 6057.38 10992.15 1950.91 11788.73 13270.71 10979.2 17687.12 7716.6 5454.41 6991.78 3423.98 2269.55 8538.41 2532.18 1482.42 6813.99 10022.7 2839.34 7501.17 7442.82 7492.12 6430.92 7806.45 7499.51 7657.66 7796.36 7794.4 Leu-Leu 64339.14 45445.28 17359.74 42412.85 87273.36 23474.56 41847.27 60827.78 114021.11 37059.05 12487.23 9539.61 12432.41 18908.89 84935.8 44646.15 31292.76 35916.06 43924.85 48848.37 37509.73 20045.16 12585.57 32458.99 61832.17 58989.63 46560.46 33617.38 58581.03 40282.57 27303.2 35157.42 48616.79 31518.76 26653.35 39247.81 39827.96 18647.79 31160.19 36739.19 34614.31 26670.08 49300.7 22613.85 41639.86 48298.53 45064.4 26423.7 39558.9 30906.78 40182.82 26867.41 32940.55 56987.41 41927.74 40829.62 20481.37 25495.22 40361.48 33050.78 31391.57 20622.44 21452.95 31178.8 40263.13 50170.91 50553.65 50459.73 17731.47 51698.92 52800.59 24947.93 74149.13 51478.4 22310.13 40277.33 39511.22 39141.51 39252.02 39925.29 40786.99 39573.37 39513.07 39910.18 Betamethasone valerate 6177.8 30411.53 19456.47 20102.44 73175.31 49965.85 33216.24 29586.84 31273.72 18285.76 22461.61 4639.86 36842.43 6624.55 24157.65 29578.43 18800.5 29758.22 30496.86 42295.31 33246.73 24549.39 25344.65 30701.17 2484.62 35077.21 29205.5 7499.29 55644.75 18033.52 27436.49 36117.3 19681.01 31997.41 37767.72 32150.12 33829.02 31684.89 28170.04 24181.74 37783.43 42988.47 31179.95 18583.22 32705.32 28892.06 33727.32 33212.5 26073.44 38603.84 22494.45 29162.02 36451.61 37817.41 22602.67 26861.43 21451.22 13260.86 27219.24 26030.8 23201.37 22969.93 24981.46 31035.35 29238.12 30832.85 33914.5 23840.73 23890.98 30121.44 24905.61 33860.05 24859.96 33814.87 31869.05 32070.12 31123.27 30514.13 30629.54 30540.14 31299.8 30645.22 31281.76 27131.15 Threonyl-valine 2817.32 1333.97 9305.49 13039.55 1390.19 30222.55 19402.5 7556.34 5491.71 17372.83 12286.29 2045.73 1033.97 14012.52 23211.35 21894.05 16179.05 20575.79 26619.21 31305.83 20689.2 14220.66 9191.44 20154.22 1257.59 6804.69 15257.13 1292.44 30911.34 7359.51 18967.84 16486.95 6603.71 15814.94 20697.16 13985.54 7538.76 16793.72 14448.71 20164.12 6902.45 5099.45 21963 14703.97 5789.85 16284.25 28402.26 16177.62 15497.61 34515.5 14385.73 4486.19 21354.6 23088.8 1361.88 16154.03 5599.89 10468 20207.38 15361.68 12304.18 8693.23 17063.41 15018.47 25309.72 17112.73 21069.01 3327.84 15237.4 5011.53 6389.68 16144.24 16366.94 18325 13200.88 14334.98 13797.43 11391.92 15026.37 15081.16 14424.24 15317.88 14322.91 15021.44 1-Hexyl-3-(1-naphthoyl)pyrrole 23123.21 3369.77 998.13 2561.57 84245.3 10327.64 8075.66 15059.3 5397.64 1133.61 1565.91 8340.69 6012.9 696.19 11647.85 4304.84 467.45 17954.86 2177 17035.72 21173.04 7162.21 1183.65 1095.29 13251.92 10989.85 2473.03 1386.37 11800.99 2599.85 4285.63 11500.26 1365.18 3497.26 672.72 6930.89 17396.26 2706.18 1671.28 807.57 12626.59 26057.97 1338.37 1855.31 30244.69 9491.92 5963.8 6726.77 7831.82 4711.05 20988.13 8426.93 421.13 1818.83 12263.49 1331.75 554.45 833.24 25071.84 6771.36 669.28 1362.32 10455.33 2765 337.69 18177.21 2490.17 1857.83 745.36 16792.54 4708.44 2856.17 1987.4 2606.59 2776.66 8134.29 9418.03 8862.91 8847.15 9221.79 8819.87 9321.68 10730.02 9357.95 2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide 10116.22 9724.29 6723.06 2765.8 14069.61 3436.22 9013.32 10145.79 10578.02 8625.86 6527.81 7070.41 5443.26 6881.57 8394.32 10345.14 4267.61 7814.5 7831.94 13900.5 7760.56 5954.08 5255.91 7273.03 12563.46 9424.49 8391.98 8428.26 14995.81 8170.27 9896.25 13137.54 6415.96 8230.43 7327.17 10838.01 11405.16 1442.45 6961.19 6872.74 15340.64 13272.89 7087.26 5502.13 9914.2 5941.57 10751.62 7381.36 7165.13 10969.79 9265.98 8616.82 6694.75 8459.38 5233.99 6879.93 5233.87 4787.29 9636.21 6753.46 4064.33 5820.87 6643.02 7414.12 4875.51 9080.23 11588.44 7116.17 7602.8 8163.46 9258.43 9683.53 6218.87 8685.73 8194.21 8747.48 8723.72 8886.62 8788.91 8628.73 8622.07 8651.64 8627.99 8516.86 Methoprene 45928.77 102717.9 80028.63 111482.66 192779.24 84000.38 63390.5 27495.25 9811.62 24069.35 1744.02 66212.23 263105.18 78167.13 96023.08 91977.56 202359.29 84495.61 117338.21 68555.36 3003.81 89801.6 60521.71 95468.93 36616.28 45579.61 27917.17 31633.67 48888.92 21452.31 48370.27 97115.54 14900.39 15066.17 23301.94 33211.59 39766.96 10131.46 15254.29 15253.04 33680.41 68946.79 51968.82 103140.11 54202.08 56872.93 38009.81 89370.84 2784.5 125657.11 12947.68 71499.64 14172.35 24412.35 57919.23 251455.96 251010.03 82375.21 33675.71 56763.78 164778.74 63349.22 43654.73 48803.73 22429.96 100095.49 65856.81 61516.96 115678.65 29178.9 17519.68 24597.22 9943.82 85012.54 81424.52 68149.01 75115.05 75138.55 74593.35 69746.22 72836.95 74571.16 71384.3 78112.08 Methyl reserpate 28035.57 18814.96 5454.02 485.71 12895.37 18878.65 11189.4 35669.91 11907.76 19584.26 588.85 36300.59 13402.65 17762.22 2758.44 14574.36 431.81 19957.89 42280.05 4634.28 11069.82 12643.67 8476.89 11600.35 56242.77 21727.77 13794.81 865.88 49429.39 548.34 24562.12 27308.89 14981.56 740.27 943.39 49368.32 21506.79 1856.22 582.67 12117.16 1473.03 40666.79 8700.66 4465.22 28850.24 11786.13 22385.38 26339.03 25822.46 28651.83 22879.43 21156.89 10281.38 1135.5 12964.58 12746.47 3172.78 7890.26 23235.46 419.67 7371.61 9147.73 11231.41 9789.97 4381.54 35530.42 6320.92 29220.57 18934.23 27544.69 8128.76 24217.78 17953.47 9052.8 11209.94 17742.02 16184.34 16712.91 17146.43 17372.22 16960.8 17246.23 16784.83 12320.46 N-octanoylsphingosine 11701.78 10675.87 2873.02 10810.63 12645.24 4978.2 6091.3 9428.02 12686.68 3914.64 3122.67 11515.74 19020.29 7666.58 18141.29 35333.67 2262.68 7597.38 15807.06 9337.49 7063.67 7273.08 7202.34 4492.76 8063.42 7977.26 4134.7 2854.23 7815.42 8838.32 11221.02 11040.59 4035.38 3292.89 4921.93 9526.06 8107.51 4783.15 8138.67 3869.61 7202.51 12111.86 17761.93 8401.53 5144.77 2708.6 10805.14 43574.58 32219.13 10711.47 8691.55 8830.03 22303.47 10798.18 13055.75 16789.98 8378.69 1745.27 5553.54 6351.53 2957.96 1721.81 12487.72 6060.73 9204.08 11006.06 31253.49 9607.78 12854.05 13487.9 11681.54 6925.32 9205.64 12177.88 11689.62 12041.08 11709.92 11957.15 11954.73 12251.87 12059.4 12023.6 11953.29 12059.8 9,10-EpOME 114050.15 59216.52 36877.69 60426.51 4365.3 181378.69 42719.25 31652.11 30975.04 658.34 18039.04 37389.91 86812.64 305254.23 56823.35 65491.9 5209.82 77538.9 105525.07 215677.32 4302.9 26371.23 41228.01 28968.57 28637.13 97174.88 25939.41 54016.92 106906.14 69432.01 210389.5 217347.26 41586.43 78007.98 26694.24 99585.17 13180.2 58888.84 22055.21 8736.75 115982.13 134264.19 24748.32 34828.24 136964.64 58812.26 83747.52 46022.99 128616.85 326344.92 204202.13 216358.73 58580.94 124938.07 13361.73 61837.17 6377.63 14930.15 10182.98 5039.48 9860.13 12131.24 33401.5 9486.91 3748.45 43265.65 319726.85 42689.35 2638.8 19539.97 148145.78 18796.52 24673.38 39918.34 57667.55 48774.87 50340.59 52409.05 52789.37 49091.27 39091.49 48802.34 48777.68 49589.35 Astaxanthin 12236.6 18481.8 15267.3 15767.44 18861.66 21573.92 10716.62 8955.54 11507.62 12902.08 10345.58 18322.48 31091.94 18972.44 16589.17 16881.7 15947.36 24206.68 19723.31 25055.36 20333.08 18839.69 17390.97 7764.93 10846.11 15626.13 9688.7 13003.75 15845.99 15982.5 18312.8 24439.89 22991.96 15879.81 13534.37 18351.61 16339.92 21048.91 17017.94 14568.85 17312.69 7817.7 13934.77 14062.39 15479.94 1547.86 13554.7 14438.64 11278.15 6631.85 17508.74 18167.99 12695.26 5766.14 11841.48 18495.58 15364.33 10976.82 10901.68 11539.63 11364.05 10544.92 13073.83 11999.65 11057.98 14565.76 20818.51 12433.54 11727.52 11606.95 13300.65 14612.83 6673.11 19785.07 17457.17 16935.99 16215.44 16753.41 17020.11 16744.75 16953.89 17011.76 16733.28 16736.36 Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)- 44378.7 44890.04 42604.85 39400.59 34215.59 37867.64 42808.51 52624.64 45776.84 46311.18 46245 38143.32 35316.97 42981.4 39417.56 41852.1 42388.62 42417.11 38292.04 46130.28 44492.52 34611.13 32136.98 40148.53 41828.86 43986.71 40050.81 38164.72 42760.39 46290.03 52887.28 44831.41 35727.15 41476.87 38078.28 40154.01 39287.06 42476.91 37746.31 36455.82 52134.75 48576.34 37904.99 40925.64 42352.05 39549.78 41643.9 38377.97 38315.96 30757.79 42527.71 44323.08 37212.13 38128.33 46912.27 44747.32 37298.35 41053.23 38234.4 36772.87 36466.45 36678.25 34963.54 36960.73 42628.51 40563.57 42042.65 38434.68 42655.07 36458.38 44314.4 44218.79 42269.15 40051.93 41957.24 41914.03 41746.47 41727.66 41504.64 41914.67 41511.77 41907.05 41502.87 42073.7 Avocadyne 4-acetate 1044.08 779.35 1825.86 3820.04 135250.27 38186.22 49970.8 3000.23 2377.72 2109.28 349.04 1413.1 7887.65 630.12 1318.76 34662.25 14399.29 622.54 891.03 426.82 705.75 517.62 3130.98 601.4 649.59 2264.73 695.73 257.89 1339.36 1020.58 1025.96 814.73 149.94 125.87 10413.38 240.92 1141.22 3863.44 5319.54 1920.46 23045.3 5975.91 773.2 1134.22 639.69 10570.53 1482.99 687.64 155.82 2411.33 389.95 373.9 445.44 3055.99 11325.5 4057.67 16184.57 2840.31 1442.99 11422.72 13928.28 916.6 3127.51 2659.88 1320.55 5582.33 1423.5 462.25 2870.63 1836.7 4611.7 4199.5 830.56 4611.37 3819.9 3998.49 4432.63 6145.76 2669.83 1796.01 5196.96 3204.71 27578.44 21450.61 4675.0 6894.06 15163.23 6000.01 6656.97 4002.46 7135.37 3049.78 2844.85 2984.29 4098.74 6908.24 5354.66 12158.3 11695.7 2375.32 17114.96 17746.34 17037.9 16467.98 16217.86 17652.47 16228.61 16936.79 16405.64 9-Octadecynoic acid 114702.26 154431.94 31189.94 122363.44 17262.55 356150.87 104098.24 58689.13 54796.2 50751.04 39196.63 61338.76 165393.67 172301.56 85920.9 193222.47 178486.65 147594.84 141280.11 190990.57 71375.97 81677.9 31514.43 34592.54 39081.06 83027.34 48943.23 60735.37 64176.05 70636.98 175875.06 219000.02 34402.88 70392.62 101202.61 94355.8 70939.39 74706.91 68623.47 28653.73 150230.35 194931.27 68930.36 182279.67 139810.69 89790.91 147161.94 185152.01 233148.47 525826.09 170290.65 138537.45 50004.66 73324.56 132724.57 116991.56 95006.2 45975.67 67472.32 34676.88 55583.7 130245.09 82274.75 37857.56 31680.22 103048.04 192145.77 268635.24 218712.02 82303.7 104056.86 98756.33 56583.63 99140.58 338528.03 146097.14 147517.54 152862.13 147522.64 146105.29 147178.76 147555.19 147512.92 146625.17 3'-N'-Acetylfusarochromanone 1720.24 10518.79 7116.54 8319.46 5321.34 7768.08 4259.85 4471.84 5102.37 1140.71 2060.61 4895.79 4419.67 1317.28 6013.39 9276.68 10283.38 5806.4 19862.27 13514.26 2631.53 3264.43 7914.27 6374.83 11914.11 3792.41 3445.65 3120.58 19778.16 5019.79 4485.53 13342.44 4078.02 5495 1541.64 5281.61 4613.62 12008.59 4312.25 2948.01 7743.08 1823.13 11664.88 8213.08 2231.61 8410.89 6042.79 11269.54 3706.35 14075.34 10797.2 6155.1 5411.98 2364.34 7754.49 4154.39 5356.05 6578.82 6985.01 5410.24 818.83 7770.94 10072.89 4771.27 5456.26 5253.15 1948.8 4933.24 4961.99 1161.44 2940.46 3838.19 744 4914.18 6158.09 5397.86 6089.59 7149.67 6746.6 6021.82 6323.04 6676.23 7244.71 5697.96 4,4'-Methylenebis(2,6-DI-tert-butylphenol) 813.42 2164.74 2256.22 2161.26 2839.48 1405.83 25365.99 3997.77 2278.48 4201.48 2211.65 11437.51 8744.92 3795.63 1032.99 11170.77 2982.64 849.64 22035.45 2725.59 1525.97 2103.61 6329.32 8418.57 1645.8 3128.07 7912.75 12784.85 4330.25 22446.52 3511.33 23914.84 2044.46 4518.65 5285.65 1141.02 527.89 2773.45 6231.26 3570.96 1754.77 2672.29 5856.48 3291.28 2288.61 18648.71 2576.74 10474 15760.94 12750.21 757.2 430.74 2905.99 4958.21 504.33 331.81 1558.68 2044.21 485.79 430.9 6039.93 10444.34 1161.64 5361.71 2782.08 1864.85 1318.06 6705.65 10346.27 2229.35 1715.04 3636.78 2767.06 7348.31 5561.08 5584.37 6538.17 5293.82 5582.49 5517.47 5593.76 5840.56 5862.21 5860.68 Torachrysone 8-O-Glucoside 888.25 1016.11 646.68 899.41 1102.52 1011.66 796.62 715.71 1462.31 866.62 820.8 1505.47 548.35 2622.28 939.9 1077.44 2264.82 815.43 999.35 1078.08 1610.38 1020.72 428.41 2813.62 384.21 1205.3 2043.92 795.22 1304.01 776.02 1163.12 360.25 651.59 844.54 681.67 1376.34 2087.93 3136.98 415.33 670.87 594.83 1510.29 926.6 858.98 1147.45 851.75 1191.18 487.26 624.23 371.67 976.65 2098.69 851.81 544.58 1266.86 1322.28 811.02 668.51 2124.11 426.69 1180.99 1162.49 998.62 3818.02 717.63 442.34 2516.3 912.19 574.07 2585.89 1154.36 836.34 927.15 504.47 653.37 1658.68 1597.36 1660.44 1660.26 1617.23 1508.88 1595.2 1472.21 1475.87 Prolyl-Glutamine 402.98 3324.49 2600.17 3789.48 7029.96 4534.95 7165.49 10041.61 5091.49 1988.06 1464.98 4074.68 4826.14 3108.21 3303.79 4604.69 2272.2 3704.72 4315.28 10974.69 11443.51 4569.46 2207.19 3198.57 4219.71 3620.78 2246.35 1233.21 1870.32 2468.99 11997.84 4505.44 2600.04 4168.61 2244.93 3455.72 3544.75 1943.09 1636.35 3303.28 8846.46 5745.89 3372.64 1703.38 4468.06 2777.61 4686.66 3056.14 4171.83 4543.62 2938.65 2590.54 2096.39 5265.83 4285.57 3474.96 2257.95 2315.68 4403.1 3242.64 1707.06 1804.45 4013.46 3490.62 2740.3 5711.25 7094.18 3019.41 4517.55 4408.78 4386.62 2617.69 4875.92 6877.92 4998 5338.31 5595.94 5159.91 5192.13 6242.41 5736.95 5468.38 5447.4 7548.95 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one 3511.16 489.08 1249.82 4554.19 1218.84 2172.83 1516.58 794.02 622.64 353.31 434.61 1185.16 1508.58 974.18 305.49 986.68 983.07 511.42 428.73 665.59 624.34 275.06 641.85 1171.91 515.95 628.68 481.67 312.7 512.65 1441.44 335.43 1841.55 773.75 1141.67 3261.49 639.7 664.07 853.08 339.37 1104.66 2426.06 2660.55 805.7 994.28 528.33 10586.36 728.73 548.8 642.58 969.89 858.11 898.57 1572.88 717.55 671.44 403.63 839.3 358.5 610.03 1591.81 845.5 1140.16 701.81 375.85 643.63 4924.24 1001.46 1159.4 872.58 668.67 717.35 1248.07 1219.38 1685.82 804.15 944.46 1630.88 1548.5 1780.45 1656.26 1702.79 1548.95 1559.72 1535.78 Prostaglandin B3 2701.81 1579.03 25989.93 42956.61 3012.66 36495.89 24085.92 13467.91 10657.36 26421.31 1412.72 1368.95 21935.57 2322.99 1604.96 65356.59 38832.14 6377.5 44845.27 12497.51 6126.16 57401.97 23498.13 36187.51 2955.32 2766.9 25813.61 1471.63 11709.27 12935.46 1880.27 7050 25439.56 35016.34 45566.08 23015.78 5730.09 16341.08 30557.66 25990.98 5058.06 2061.37 47317.86 44471.83 9853 18654.74 16396 44578.26 26455.79 70512.3 11141.17 28358.48 78939.12 59204.12 2605.43 12582.57 32470.73 38417.93 15014.55 1990.24 24591 6940.56 8692.08 33212.38 21618.81 2703.18 18784.08 5600.69 1692.84 7182.96 11077.24 70281.97 44672.24 37152.32 28888.45 17795.96 11751.5 17423.32 17682.35 19372.95 17405.82 16128.74 17735.54 15374.7 7-Hydroxycholesterol 86875.95 87879.71 144550.9 94357.46 45234.14 54608.38 74534.35 96183.01 90543.17 164366.64 105492.28 129748.83 102824.85 130019.04 73094.64 133466.99 143793.34 60335.23 209933.09 95553.91 100210.98 66220.71 124533.14 135344.95 89521.79 77749.42 115261.27 155767.15 93041.33 172690.87 78112.21 120252.1 52125.91 139702.16 235906.82 70745.64 85883.74 61762.66 123878.65 120429.05 61519.96 99938.76 157105.11 104911.37 86188.83 99745.69 90321.06 158502.49 132352.68 147366.78 82647.69 73825.44 146051.52 152923.11 67022.67 65394.88 76661.3 137224.31 59460.16 35561.3 96124.58 89256.39 68283.19 168949.46 114588.51 89236.64 87186.56 241549.89 104233.66 84605.58 74213.29 121851.45 125996.43 121741.16 157762.14 96510.37 95748.3 95743.85 96920.03 92064.44 96482.9 96484.34 95757.69 95745.02 (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid 16196.5 16608.08 2409.68 11963.67 7183.23 10413.04 20210.02 15006.11 22363.6 18175.23 11919.43 12756.51 15080.9 14486.99 7661.05 14580.2 9107.98 11987.33 15827.05 16430.71 12275.08 10725.75 9406.73 14250.79 18744.38 22486.59 14365.65 14665.21 21539.6 9398.07 14837.79 25343.66 8958.4 13314.33 12204.08 18370.26 18822.84 11972.19 13664.1 12997.1 18874.03 20590.82 6959.09 9505.11 18110.45 5976.21 23339.05 13712.43 12443.16 20945.13 13088.26 15789.21 16634.8 16396.36 9552.02 8976.15 9853.82 8642.7 8595.94 9874.44 5209.26 11999.64 13776.9 4509.81 3657.56 15892.94 19164.12 15038.24 13756.25 16338.46 13503.48 14040.11 12949.07 12834.82 12220.97 16041.08 11305.97 16284.78 19812.57 16792.74 14772.74 15261.49 16892.54 15504.52 16431.55 15312.93 15947.23 17444.97 18682.87 15275.41 16371.71 16276.68 20753.66 17991.41 16771.91 16455.68 16523.17 17961.09 18134.03 16757.02 12176.45 12747.02 12537.82 12349.35 12141.6 12533.82 11581.75 12395.58 12530.67 6,11-Dihydro[1]benzothiopyrano[4,3-b]indole 9864.95 4910.74 903.11 910.28 16263.73 510.63 1186.35 11959.18 14263.24 711.24 715.19 4434.89 1172.7 585.45 4663.75 462.92 515.21 6189.13 8510.61 7603.8 4774.31 3747.52 1758.63 2683.2 12033.39 11829.23 3708.29 3809.67 895.76 4261.67 5720.88 8670.24 2786.44 897.23 1715.44 7391.79 10399.43 3416.46 2522.77 1106.43 9134.22 18124.73 2123.22 1592.99 1741.94 1202.57 5544.53 4224.27 4075.33 1045.41 9460.86 453.06 1814.9 1325.59 10652.62 827.33 1450.41 1079.63 1637.27 3164.37 1389.65 1513.26 1226.74 1493.48 1850.3 8868.76 3585.93 3543.69 2004.13 9946.81 4718.77 1047.28 2752.2 1614.93 1934.56 3194.33 3206.35 3217.16 2929.11 2807.74 3069.96 3003.24 3206.92 2918.68 Doxercalciferol 10916.96 10898.33 1786.56 1256.33 10361.28 12510.19 5604.12 5617.42 8737.36 835.07 3952.77 12058.91 2211.94 385.86 4396.68 8240.58 707.41 5990.51 1061.14 10203.02 6872.81 632.41 400.23 2675.57 15840.2 11303.48 2871.38 3466.58 14498.02 8194.72 12224.03 11881.05 4254.8 6056.43 3260.49 9950.08 3196.69 3824.37 2630.01 3397.71 6938.11 7350.91 2627.03 3180.9 5067.99 3802.71 8414.36 3530.74 3690.5 10631.6 3867.55 2643.62 1888.4 5172.16 3770.93 1976.28 4023.78 3712.3 4832.48 8138.24 2789.73 2116.57 4192.3 1059.08 4219.73 2840.4 9635.15 3161.25 5445.93 3901.6 5223.55 3936.87 8126.26 3833.03 7519.13 6985.63 6978.83 6973.82 6820.02 6916.03 6978.76 7074.21 6833.8 6788.15 4'-Chloro-5-methoxyvalerophenone (E)-O-(2-aminoethyl)oxime fumarate 11789.22 17014.34 21441.23 20088.67 12690.57 8115.95 32726.58 37693.31 17403.06 18773.38 40589.13 19356.26 23989.77 19216.6 26521.8 23465.08 23568.76 14262.64 17823.35 18313.31 24893.75 19224.17 21156.93 21296.54 12644.62 6332.63 21556.77 18613.7 18929.5 19622.99 11365.38 18736.89 18008.3 18789.23 19500.99 19648.08 19217.26 20739.69 21484.08 20945.55 7644.02 11965.94 23691.68 20422.28 18296.18 27161.12 15031.91 19339.55 19416.89 13203.39 14298.23 14219.23 21447.85 20208.67 24590.48 19256.09 26956.05 23298.7 11422.81 23200.89 24758.36 20773.93 22691.29 24878.19 18991.52 4346.74 12787.02 18865.56 22036.83 15007.51 14280.71 21004.53 12918.16 19528.24 19077.94 12190.72 22032.57 11649.9 11917.41 12247.27 11502.13 11981.45 13759.33 12343.66 12394.12 13580.12 11651.93 12273.49 11554.23 11496.77 10131.0 12116.78 12628.94 13667.8 12286.66 11898.59 11849.02 11684.26 14432.28 12385.13 15313.13 15887.23 16192.5 15871.56 16099.64 16440.61 16037.95 14899.07 15485.81 Methylergonovine 9210.52 3184.65 4741.13 7417.91 14880.92 4600.3 10315.96 12975.88 12916.75 9505.84 15422.9 13079.53 10985.25 9932.31 5837.86 11860.71 7906.3 7549.05 11339.8 19732.83 9777.72 4438.23 7657.92 13231.4 17166.03 3289.26 11149.41 9580.5 15065.94 3567.68 15093.03 24074.74 6286.65 8446.23 8731.11 11533.12 9964.12 8345.52 12370.41 8177.18 26540.15 16620.44 10491.03 6672.85 16061.8 13340.78 22351.42 12610.58 13631.14 18231.55 8151.72 10816.04 8603.89 11019.02 6914.34 8769.04 5795.74 4281.96 11787.5 1158.47 12076.77 5894.67 4068.15 7608.55 5388.91 9998.6 13338.36 15096.39 9514.92 8519.75 16189.81 18031.22 10188.39 14382.8 11489.57 11572.86 10967.32 11571.73 8858.55 11421.4 14164.95 11101.03 11556.74 11049.47 Deacetylvindoline 16672.12 15175.18 4513.64 2902.79 21258.07 17517.58 1384.99 30330.33 10810.94 16686.38 7301.42 25507.06 5214.01 12483.51 13352.66 18228.38 3337.84 22129.12 34108.03 7858.86 8131.53 20536.15 1672.4 8065.34 55674.54 24701.16 10396.98 6070.43 49209.62 437.94 16192.42 67757.27 20837.32 3003.16 5815.75 41527.25 25342.74 9822.25 1646.3 13852.54 17930.91 46158.11 6983.56 4532.39 13057.97 7864.16 10007.48 6961.72 12572.6 24513.33 1401.62 7802.18 941.75 1412.83 5442.96 11075.21 3165.75 5510.89 18884.75 4324.83 5128.08 4829.15 11047.72 9572.16 4670.81 36530.37 3759.48 8428.6 15409.23 29702.75 19826.24 19411.01 8405.71 7499.58 1426.69 10741.05 11230.06 10449.45 10749.14 10881.31 11144.31 11775.86 10580.3 11260.26 Prostaglandin F2alpha dimethyl amide 4674.61 6110.09 4629.7 2991.56 1542.95 3267.74 2811.81 5850.01 4634.52 2123.36 4242.86 3119.64 3231.9 4953.54 3800.86 1878.28 6825.73 2276.12 2182.87 3369.82 1176.69 1072.28 2962.37 2976.86 3721.12 3166.48 1823.47 3279.22 2066.56 3664.31 3077.26 3182.01 3196.14 4684.72 3177.46 3615.91 2810.12 4135.66 5763.9 4913.4 2122.15 3066.06 3638.93 3455.32 3987.15 1220.28 6169.46 4068.92 824.04 3812.17 2472.72 2907.93 4556.46 2584.74 3066.85 4606.36 2999.28 5599.5 6213.81 4532.81 5390.63 4512.26 4957.04 3237.26 5488.82 3926.34 3275.15 4622.28 717.22 1653.01 3587.73 5310.51 5623.49 2766.36 3454.22 2631.74 2662.59 2663.63 1937.37 2478.68 2615.47 2713.36 2494.76 2665.75 Sambutoxin 43575.76 62152.68 40686.27 34520.35 37316.44 2438.25 30817.35 31601.85 22964.36 10367.29 30425.79 16131.76 29666.24 16508.84 92774.29 26183.02 65470.07 1364.03 15289.41 54807.15 28810.4 5865.88 10627.6 33274.38 25384.7 1743.58 16041.25 17006.37 31810.09 8616.17 4635.21 2851.87 34927.13 23546.66 50240.26 17786.16 39079.52 9210.64 15712.9 22221.78 29303.73 22521.2 45199.93 68951.62 19019.19 6382.66 50780.09 49776.16 14536.45 21408.68 18132.61 50105.15 34000 25489.96 71060.88 80236.76 102590.39 94429.17 31491.65 17989.97 31626.25 21065.46 137488.67 42176.35 49370.41 45365.22 64307.51 20574.41 23450.72 36838.67 34422.76 3866.8 33080.99 131796.94 35636.85 19180.81 17835.15 27140.03 31349.88 21188.89 19549.63 9469.46 37245.52 31422.6 2940.05 6285.7 8578.06 24536.29 5065.22 9577.89 8375.95 44812.36 14045.39 4615.78 25419.38 6243.57 10904.81 17276.04 61209.87 33384.52 32609.39 33541.98 33387.91 32543.98 33109.75 32644.97 32697.29 33409.78 Imidacloprid 2489.53 405.22 2814.52 3334.91 2207.24 1699.73 3344.4 1812.59 1717.97 2180.09 788.93 943.61 8430.34 528.7 345.11 1063.02 4570.44 1806.92 3658.98 2338.65 740.77 597.38 2151.39 1017.15 794.06 1312.07 963.8 380.06 10973.71 406.39 1585.57 746.06 1465.25 1281.43 1719.85 1195.92 272.85 1195.69 472.68 681.44 1597.13 1107.07 1213.97 1431.33 1971.34 37728.63 2806.6 576.44 21161.8 6825.87 1454.48 680.24 1460.59 4303.22 2129.26 369.71 3123.37 1103.19 1019.48 846.08 570.92 927.83 472.68 588.11 1893.89 5892.19 1691.82 25661.91 1056.92 1494.34 342.42 2388.08 1948.08 2249.36 4420.03 3324.49 3326.28 3321.22 3361.37 3370.82 3368.12 3194.3 3416.7 3323.65 Ecdysone 1311.18 346.32 2699.29 10672.01 36686.17 16744.58 2095.17 81193.92 33520.01 1663.26 519.51 2782.4 9915.95 769.54 26251.52 984.77 1027.92 20919.23 16423.24 738.85 4637.12 1226.51 553.68 8461.79 48419.24 36492.99 804.8 628.08 2421.63 743.09 39192.43 32484.9 942.24 2083.86 731.85 27531.37 13304.91 8077.52 1922.68 1068.89 22021.13 64389.38 2155 7558.91 35103.15 393.65 42638.2 28571.7 3256.36 1116.11 29799.64 9281.97 967.84 7515.13 34991.52 20024.15 3211.34 2866.81 35237.69 9255.89 735.58 5037.44 16321.83 633.62 5099.13 12682.05 12246.75 471.41 466.82 28336.44 21246.49 710.63 2012.6 14110.26 492.3 13434.89 13823.52 13536.08 13802.84 13805.15 13810.51 11299.62 13270.92 13453.6 n5-Iminoethyl-l-ornithine 3403.44 7361.66 3561.75 4937.02 9065.66 6310.11 7907.85 5510.24 4086.93 4881.41 3823.39 8383.9 9879.29 9846.69 7372.92 10044.48 10276.99 7888.08 29061.21 7667.38 710.27 5003.16 8230.03 3170.92 3560.21 3462.5 3496.9 3587.82 5222.41 584.04 3981.79 7402.28 3909.43 4614.5 3450.41 1203.01 552.2 3765.82 12154.86 7116.44 2601.81 8116.06 5478.95 7010.96 5345.13 2848.42 11769.99 10855.14 8133.26 19380.32 5638.9 6740.24 1276.55 13140.62 677.55 6942.77 4441.83 3478.67 3171.94 2410.47 6811.57 5823.15 2800.45 7063.56 9378.69 5009.44 5986.71 5898.05 5659.14 4843.02 4920.77 3747.19 3041.74 4342.52 8099.89 6354.34 5531.31 6543.25 6324.05 6305.08 6537.31 6521.89 6908.56 6383.27 Mitraphylline 12754.56 6629.71 4718.28 2545.61 14177.83 17898.69 2703.29 14156.21 8852.79 8051.14 4781.16 3685.73 3366.56 3189.99 8996.48 8001.04 6533.41 7476.99 11154.68 15716.06 10570 2895.71 2234.74 5121.3 13613.42 3817.48 7325.83 2005.37 2536.29 3674.96 9752.55 10438.57 11997.9 5866.84 1882.65 12103.66 7105.32 9379.07 1813.45 4283.7 11173.4 19203.49 1692.66 3213.3 16256.03 6481.95 6094.27 5814.22 4447.38 7467.78 10171.99 2859.19 7731.85 1717.53 9935.85 3177.4 1720.53 1422.03 9879.28 2532.53 3524.29 5822.37 11999.44 3385.76 1677.05 9177 13227.37 4132.19 4592.22 8751.24 9575.41 5306.76 1995.06 4830.11 5430.04 7795.04 7110.18 7055.92 8000.25 7312.68 7805.34 7931.89 7047.19 7301.4 Dihydrofolic acid 830.13 815.45 14429.12 16405.78 3511.77 3885.36 4700.15 852.94 2693.33 4782.95 4329.54 796.23 12383.39 7142.89 3850.44 9636.15 2429.96 1651.09 9367.59 2240.17 1919.28 4439.23 5928.62 9087.28 709.79 2748.73 7322.41 1585.47 947.97 1048.18 2000.2 752.26 831.51 12599.11 9370.74 4371.81 3677.8 1269.44 10029.58 7925.46 3028.92 2728.03 8900.3 4302.19 5442.91 5657.21 5417.68 2636.62 2816.27 11604.7 1283.35 1623.9 8360.43 12228.37 3037.62 3540.03 9887.26 12756.28 897.55 3050.47 2068.92 2351.5 1984.33 11979.57 6687.29 3099.08 3129.89 4788.47 3542.82 3232.39 1027.6 5901.77 5556.17 13992.08 9567.77 5188.36 4923.73 4985.95 4958.09 4959.71 5117.99 4938.53 4927.74 5456.59 Canadine 2798.57 11343.17 12948.34 2428.88 12033.52 8120.04 2236.65 21124.36 21837.96 1857.69 1703.07 1778.98 6040.03 3709.02 1428.69 5757.8 4610.33 1176.97 4432.91 25174.86 3632.24 6114.2 3127.67 3959.55 12558.35 12992.35 2744.99 5384.56 17629.38 5445.74 2054.54 527.19 5794.5 4542.35 2105.42 12896.36 14239.43 14341.21 8611.29 6001.48 15166.57 37403.71 13924.23 2862.6 28226.57 7808.84 11147.63 10288.23 10969.66 5785.2 4946.27 17393.91 875.09 6588.44 8897.64 17657.78 10895.27 1999.75 7668.47 12076.29 4493.62 5243.15 7005.82 4766.12 8254.08 9193.02 32512.32 5137.21 7737.04 11410.76 12533.68 15702.01 2407.5 2248.09 2702.4 5738.65 7345.53 7335.59 10500.59 5300.44 5705.13 8001.27 7859.13 5992.24 2-[Benzyl(methyl)nitroryl]ethanol 1750.39 699.32 660.2 2332.33 1581.58 1511 906.23 611.54 1545.78 2391.47 2224.88 1942.9 3616.07 3256.32 1857.28 3262.38 1254.83 1763.91 2832.4 2282.25 2723.05 2664 638.73 3157.51 2696.6 1669.85 3021.62 5457.01 1516.27 1595.68 1851.56 3990.02 985.55 3432.11 1970.08 1970.9 1715.96 1428.57 3197.06 1365.68 2274.93 3027.48 1890.49 2562.7 1858.62 2251.73 1637.94 3353.63 2533.39 4180.29 1723.34 1993.08 3624.35 3800.8 1732.19 623.76 1660.05 1900.3 1595.01 1149.01 2329.62 544.63 1353.9 1244.14 569.36 2605.84 1726.15 3891.41 3559.55 1827.31 571.61 2007.8 1946.69 710.79 1987.75 1764.27 1549.21 1777.4 1861.74 1858.62 1855.19 1867.87 1921.52 1766.64 Arachidonoyl Serinol 3461.79 1818.01 1581.66 5939.14 519.5 4824.31 778.36 1396.79 1713.22 267.4 1333.02 4498.23 4114.85 2604.24 9492.68 2049.17 1277 16721.48 9505.56 5492.7 9259.33 2194.83 5636.98 5903.15 9611.09 4531.71 4924.69 5727.68 18591.95 3878.95 23544.23 7599.88 6269.63 793.12 556.21 38033.36 8946.05 1929.56 851.46 2575.56 18370.02 79153.29 1981.88 1704.5 12993.07 703.52 6528.16 3190.3 2189.76 23746.91 3996.16 2541.86 1778.14 1375.26 2637.33 1573.28 1280.27 500.55 2672.57 1230.19 798.17 519.08 1761.29 1745.95 6592.22 9535.46 6115.89 2423.99 1872.85 1693.17 2645.74 1204.64 1563.87 1932.52 1771.1 20706.83 18163.35 21864.59 20200.4 20662.27 20712.06 21008.44 19766.38 19898.97 20591.03 18441.47 20970.38 20728.46 21013.44 20362.04 16948.94 21670.53 21459.87 20122.74 20137.86 20779.17 20978.16 20932.37 22125.78 19595.97 5120.75 5635 5466.91 5599.49 5544.58 5594.73 5522.85 5482.87 5474.24 Sumaresinol 6283.89 5573.12 2414.82 2711.95 9061.9 7303.36 2340.67 5427.16 6419.63 4924.63 4526.11 3393.62 3004.33 2753.81 3109.9 1829.7 3448.54 3543.32 3398.9 1177.8 5474.63 2083.18 3444 2326.65 5982.75 6012.98 3514.09 5454.4 5432.36 5734.6 6282.83 8213.16 2091.19 5104.12 1923.46 949.18 4263.11 5310.55 3733.38 1815.99 3460.4 4741.61 2333.72 884.94 4084.27 2988.94 4278.87 1079.39 3196.43 2564.64 5388.3 1013.55 939.29 3053.72 3180.62 1571.48 1950.04 712.49 5406.29 3817.85 2207.94 1196.18 5070.37 2828.38 852.77 5258.02 5482.67 3022.78 1848.31 4968.31 4712.85 3451.83 1546.91 1482.73 4424.68 1671.71 3235.36 3273.99 3107.97 2735.32 2639.37 3165.01 2833.84 2787.28 Estradiol dipropionate 29442.48 39226.62 29985.48 30921.08 29846.89 34642.47 30063.18 28126.3 25913.42 33100.61 20915.02 18105.76 17752.65 25340.68 25638.54 28449.43 25688.63 23844.56 27619.59 28941.19 24341.63 18894.69 15527.38 27636.15 29796.62 28340.49 29053.21 29812.01 29627.53 24609.17 34454.55 29940.29 16065.36 34660.18 26792.72 25229.7 26426.39 29287.07 31449.04 37809.14 28183.48 29712.33 28800.85 34557.22 29585.75 26998.77 27473.52 26783.51 30383.46 31991.68 25077.98 28681.62 29033.12 30355.55 27309.35 25568.44 26986.91 26147.19 24900.32 28919.17 29126.32 27666.48 29380.35 39558.29 26736.45 30921.14 47227.89 29283.45 32290.75 28138.34 27828.86 35473.4 34571.26 29688.85 27971.46 29998.82 29876.93 29687.61 30617.8 29543.9 29610.62 30174.92 29465.19 29569.21 Imiprothrin 10830.76 6175.43 1723.35 1717.23 42746.58 18389.53 6870.53 10336.58 9228.25 11690.44 8315.51 21684.63 890.09 4649.88 4012.37 32299.78 1480.27 24737.17 17851.55 5853.18 6632.13 6525.78 3690.35 6945.53 17396.95 16057.59 5770.7 3295.95 15448.61 2745.62 2908.1 54976.24 12163.34 774.94 2632.73 14713.2 17301.68 3735.78 2210.99 5429.49 9049.07 30147.85 9463.76 1327.92 37029.9 7452.37 8658.76 7909.66 5924.23 22366.74 12115.05 11250.38 8378.74 5538.81 13178.95 8945.87 917.95 2932.49 25777.88 11073.12 4944.48 3478.79 9849.08 10104.17 9198.71 23541.61 6948.04 3086.93 5343.36 13040.2 4665.22 11060.21 7115.58 2537.67 8199.96 13027.27 13509.64 12707.01 12054.13 12998.76 13057.35 12744.62 13056.32 12738.94 Colladonin 1564.71 1838.97 15853.65 9413.68 511.6 30304.97 3992.73 2020.96 1361.94 2513.58 2517.41 1370.78 716.35 2181.98 673.43 3283.64 1570.08 3175.92 1495.39 732.01 1971.9 542.76 7924.22 2445.82 3242.73 617.63 1515.17 2334.27 598.39 486.23 1145.56 2193.83 2476.33 5309.16 3696.77 3277.84 1227.51 9272.17 1446.21 5097.83 543.58 2926.93 11287.56 1827.97 2620.55 1657.64 1012.4 5441.03 2628.87 3284.34 2947.5 3353.33 2357.82 1462.07 1008 5935.39 7183.48 6054.89 2532.83 8759.09 3246.91 10157.38 696.26 17253.64 13323.73 512.51 721.05 2333.38 3155.37 951.62 3528.44 15540.13 1226.03 24255.14 3565.76 2978.58 3083.18 2942.29 3160.4 3157.05 1120.48 2950.7 3073.34 3125.07 Docosahexaenoyl Ethanolamide 27264.73 10477.84 18846.61 9283.79 474.36 3261.03 10448.43 2937.18 2583.51 10014.41 7465.55 34140.84 6279.11 16444.55 18293.32 81075.67 3605.3 10143.32 16178.35 17842.19 7921.35 19704.46 11862.84 11652.44 1639.4 9334.35 6906.25 9059.11 10859.38 9197.6 11906.67 15198.3 2208.65 13458.61 10014.38 32663.95 8865.63 4506.31 8570.37 23458.75 6656.11 192510.48 27403.76 11571.73 928.29 18110.31 23267.27 819.99 31594.16 58802.02 13652.5 7733.86 10509.69 8354.28 2290.99 10877.95 9701.81 7245.8 4773.42 4836.36 11503.23 7733.49 35729.84 10524.44 10164.37 12648.07 5234.91 7135.81 653.51 12082.45 4086.32 9234.14 736.59 10321.24 2313.69 13706.7 13247.22 13884.61 13350.1 13576.11 13648.76 13645.46 13330.75 13135.61 SPH(d17:1) 8922.95 30353.75 14728.48 13697.46 5190.73 22721.1 9230.66 10388.96 21865.96 9212.17 6484.27 11086.16 358.02 6706.92 24740.43 12481.73 23991.3 10501.78 18139.21 17125.86 9730.15 8034.05 5275.21 15887.52 5415.8 9808.82 9827.44 7211.04 8120.39 70321.93 8638.68 14634.86 14712.63 14570.33 12241.38 7789.39 8966.5 10789 8676.7 15321.19 17775.17 12408.38 15789.19 12635.72 8922.91 8174.58 11486.37 17365.18 7324.14 16573.89 5433.65 9540.31 8764.82 11544.7 11643.1 22877.7 22602.13 21074.51 10368.94 37863.9 12410.41 12580.27 15702.2 19043.19 14357.73 13895.06 37133.12 11849.08 12405.65 10659.38 18534.52 15899.83 8127.17 22891.09 18915.27 18379.47 17447.26 17462.68 17951.33 18455.37 18538.79 16904.17 18732.48 17828.36 D-Glycero-D-gulo-heptose 6198.04 10370.74 7749.41 8056.03 13115.12 12820.59 10520.93 8215.98 2196.09 11346.8 5503.5 9507.37 10861.34 7865.25 9937.34 9511.39 8769.61 7833.42 12017.28 2857.2 6413.27 9716.88 7714.96 9709.6 8749.59 9287.86 9235.63 6909.37 8882 6822.46 3654.62 9995.68 9013.83 8079.42 8151.96 10135.16 8579.77 6945.39 7807.12 9693.41 2057.16 3986.93 9615.19 6360.7 11381.93 1803.96 8533.62 11866.67 6437.04 9555.96 3813.57 8422.07 8662.25 8258.03 8932.09 10990.7 9037.9 8803.05 9089.94 8288.86 10436.73 11756.3 6078.97 6858.7 7920.62 12341.67 2996.22 11196.04 10427.65 6818.92 3223.1 7261.56 4536.16 10888.93 6463.42 3158.26 2837.21 3228.57 3156.93 3587.3 3411.79 3388.59 4092.16 2717.9 3358.14 4720.08 3238.62 3371.24 3932.35 2890.35 4538.1 3701.96 3575.48 3476.91 3113.31 3227.18 2940.84 3257.78 2813.64 5302.33 9927.23 9480.71 10204 9922.25 10881.04 10219.76 10208.88 10076.18 10181.82 Oxprenolol 1448.36 1395.24 1208.06 1272.27 1702.3 990.8 736.21 1307.43 2141.95 855.26 1550.82 2545.09 867.44 2127.53 3130.41 2077.12 1499.87 2650.97 2291.96 3202.95 1452.19 15642.53 606.34 779.48 1368.87 1429.87 1455.1 1105.97 932.46 2458.33 3000.81 6551.48 952.7 2152.22 1596.26 2825.11 2103.81 3173.03 1474.91 1088.31 6300.16 1872.04 2653.97 828.9 4543.37 1768.84 2356.82 2310.45 2557.79 3845.67 967.37 2486.25 2463.17 2914.75 827.4 1317.37 1459.94 1253.54 475.07 372.49 681.26 848.8 879.76 2579.47 1598.88 1988.23 2236.3 1311.27 1484.58 992.42 1273.27 1668.57 1252.35 2043.1 2534.03 2382.97 2379.61 2511.81 2479.45 2360.37 2511.63 2420.61 2655.46 1865.27 Testosterone decanoate 12144.06 741.31 12543.82 25462.48 34872.56 69109.71 18703.23 23287.58 1416.83 16168.31 9003.88 1855.66 41068.33 12839.79 11475.37 24124.35 1207.82 18153.3 13378.32 25076.83 13864.73 12548.22 17565.77 8504.32 22834.02 545 12487.27 17898.82 31681.06 41366.71 32493.19 33501.87 951.26 46856.36 11156.04 14247.96 9078.43 17146.72 22269.94 19894.29 18595.16 25703.04 21269.49 16797.56 24310.43 42925.14 28144.34 12991.77 31168.46 44943.92 36668.8 11088.33 26992.18 44498.71 14602.86 4166.72 10304.64 23481.95 8014.66 10779.87 11482.09 13447.44 9109.65 24993.2 16298.12 15220.42 22271.03 19563.63 23209.65 16020.71 8583.31 24409.39 31186.67 33662.84 54614.15 20714.32 20680.57 21482.19 21429.39 21436.92 21891.61 21197.9 21447.49 20599.24 Aclarubicin 649.04 2137.28 611.83 567.81 2608.96 28600.08 7588.92 6965.94 10313.39 1395.89 2726.54 5526.47 631.81 715.21 347.03 18956.8 10066.97 1884.02 8207.55 672.29 3352.03 1136.34 5214.47 5435.25 6581.98 29990.51 2200.96 413.52 11857.26 6048.73 402.93 20256.04 16133.71 3235.45 7461.04 4059.77 9253.4 18191.11 2053.24 2174.72 2815.59 2996.29 6788.43 4065.52 20842.95 1256.27 2939.27 2923.7 4242.65 9047.55 1556.03 15267.14 8628.8 3262.7 5135.57 17426.14 4699.09 4912.83 13877.35 14129.39 13869.37 9011.15 5777.91 4743.65 7237.24 2919.07 18181.38 11393.95 10465.49 3972.05 7800.46 13959.27 3952.22 6690.84 7188.77 10069.96 10403.49 10565.9 7970.96 10770.09 10252.53 9658.48 10556.71 10527.56 Moclobemide 17158.05 21882.93 28640.23 29158.36 8710.07 12720.28 23824.88 22533.88 16703.36 30476.22 26624.63 22690.04 30279.13 34135.09 20310 25971.21 23692.64 17821.25 31498.87 1159.37 15592.22 17160.97 26264.03 31967.78 21510.64 28107.24 31456.41 33437.69 16975.56 10153.17 12752.72 40172.89 14430.67 37572.68 29724.52 24455.98 21492.68 22900.37 34984.25 30261.54 1712.11 26368.94 32380.11 27629.89 18028.5 29157.81 15203.1 26662.84 23794.09 29594.16 22333.01 27938.18 33809.96 31837.04 18067.18 26512.81 27176.63 25592.73 16949.53 16717.43 26714.59 32973.76 20076.31 29517.33 18606.38 29353.79 9378.98 32584.22 29236.19 19760.98 14403.82 30675.05 27984.15 29744.34 34993.81 24234.67 24231.29 24230.5 24230.25 24018.2 24236.52 24216.27 24010.51 23848.75 O-malonyl-L-carnitine 22890.12 25058.96 23941.93 2642.41 50558.15 63993.54 23229.85 31422.26 35638.24 25674.26 20011.56 20274.85 23520.39 19548.69 32697.53 26034.19 23145.37 5782.16 20392.47 33534.41 30245.62 23133.68 16942.38 18539.74 27700.83 36147.74 22936.15 25488.86 36572.65 8118.95 26125.43 25286.23 22421.08 30403.63 28354.09 2899.23 28522.21 40690.04 19584.52 20234.72 35484.8 44736.77 3444.77 15697.93 41094.47 21803.59 29264.79 21299.01 14926.94 28328.29 28726.2 29716.2 23750.64 31686.99 20688.92 31953.36 2963.68 16188.21 3521.24 28890.74 13871.61 16163.21 20665.88 24388.81 13798.76 35002.4 40744.45 18860.03 14159.16 23666.61 21489.56 25296.27 16619.13 20538.72 22577.65 19862.68 19228.06 19629.75 19830.06 5175.62 18908.3 19080 19875.7 18683.78 Methyl linoleate 283.43 5190.06 12889.62 10143.44 24993.59 30999.77 7453.08 3653.26 914.81 3472.09 1072.64 1937.41 11273.21 669.78 3574.74 58216.39 28425.14 6145.38 1640.39 5134.93 5377.48 549.36 1495.35 3358.34 2115.2 1601.21 2329.21 244 3359.22 3607.01 3833.37 441.39 1359.01 3031.58 4495.27 2000.42 1175.73 2065.63 989.78 2368.31 9847.22 1567.07 5340.82 4841.75 3321.82 4006.55 1625.34 1434.52 430.04 25202.42 2395.95 2399.59 1174.74 14291.02 2816.47 9248.5 22411.78 8884.27 1797.13 14084.96 6423.6 2040.7 2567.72 8216.72 2482.33 5975.65 4744.2 1392.7 1494.81 4731.91 2136.1 764.2 4435.55 14788.43 5299.42 7847.7 7785.81 7836.92 7836.76 7836.76 7785.88 7816.9 7731.71 7785.9 10E,12Z-Octadecadienoic acid 442368.55 569738.43 114031.22 422784.76 554363.28 436688.18 427231.74 414733.33 354668.31 126434.94 101848.18 193011.88 307303.19 435127.54 620419.42 752428.06 536143.8 613558.41 732764.91 893086 224691.65 202849.67 52018.97 237486.05 375543.81 393527.71 251247.54 152669.39 263831.25 205921.93 459394.54 610668.47 109213.3 119314.4 293825 462689.58 347243.88 81619.9 60920.56 111111.89 516063.02 527133.7 244212.15 482383.08 496597.28 190580.5 774053.54 600270.76 244349.32 640490.87 152868.85 279408.13 87915.7 153447.72 738851.57 573459.53 322388.08 204318.62 289640.83 218943.31 194985.38 167739.93 521359.8 162567.55 161493.7 448807.49 510451.83 525532.25 852646.88 666738.7 332897.29 444934.65 150626.84 374004.65 703632.15 439347.22 444297.25 448413.62 444261.78 441121.13 444271.22 441647.28 446227.17 441629.72 Cannabidiol dimethyl ether 2587.94 7996.98 47984.13 5523.35 17179.81 9375.9 4050.39 9117.37 14239.64 4048.96 668.42 12720.49 9183.37 10324.46 8237.82 12088.52 14392.51 5484.66 17947.27 2453.4 3817.93 7370.27 13823.99 10119.08 10524.64 2098.02 1599.92 1091.24 22287.68 2662.22 1690.23 5827.07 12923.88 9433.22 8875.47 14140.63 1391.83 4408.21 5162.05 3087.11 6533.34 5089.01 18854.92 3103.51 4254.71 5590.47 5540.9 13243.49 13303.27 7634.02 10457.2 18784.54 27829.24 14572.05 17109.03 9567.89 19687.96 4498.79 11233.3 2026.51 13323.72 13216.07 11676.58 20301.52 7037.16 4559.23 6882.99 3412.3 2123.03 8349.42 3515.52 2734.98 7266.91 13618.28 10080.35 11802.58 11758.23 11974.18 11944.06 13520.43 11647.8 10981.14 10829.03 11821.51 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine 109714.53 136969.79 88617.09 97936.18 91098.35 114298.55 217555.89 116058.25 168485.07 77178.79 224853.22 77895.02 119067.34 94563 247028.63 368140.86 279727.56 110610.59 138961.61 190515.11 122827.96 88756.7 43600.87 272509.87 142592.7 197899.79 122105.68 63078.53 28579.51 36153.05 121609.3 129980.62 176806.62 119261.71 210115.94 9123.82 264810.2 126974.03 110397.25 221078.38 74269.88 152760.97 209861.13 157256.81 134987.53 120783.54 101517.52 183212.74 64583.82 256377.4 85249.4 175939.78 146629.91 180144.48 126798.1 245647.11 244633.6 204823.09 199363.85 95214.41 221173.39 96316.72 192735.93 371830.07 384466.21 182066.94 302404.07 133772.66 248540 203294.58 318044.02 252636.4 465962.87 322668.45 298002.52 207828.22 201517.36 241909.08 204002.04 193898.01 197252.57 198767.61 195613.67 193948.76 Avenoleic acid 21053.31 28726.13 58685.77 68870.79 2238.6 151669.18 29670.87 3057.67 25997.57 30239.66 22274.37 16425.78 111668.66 13533.21 67473.78 101918.78 103578.86 47319.34 88427.4 43423.46 70322.04 39207.79 58520.07 1804.87 15924.66 1360.46 3985.03 27795.4 34717.98 27425.87 57536.14 74060.02 62963.71 57338.87 119379.25 26273.65 20953.07 49622.42 42128.84 37451.35 50631.87 67438.69 38579.64 67127.98 56951.56 71058.75 27434.88 22806.98 51636.79 205496.02 49493.81 58674.99 52103.21 88844.04 37259.49 65111.21 93437.36 54937.62 20191.12 36833.77 30385.59 56320.83 45088.85 43792.9 23404.15 63304.7 42160 36436.59 45320.61 22232.87 36588.69 32193.96 37635.16 64658.5 83916.97 61632.85 64684.31 65151.2 65156.88 65154 65171.21 65176.47 63601.18 64441.18 Prostaglandin E2 Ethanolamide 2513.58 1684.31 1175.08 1748.72 2078.95 1345.8 3586.49 4895.83 2770.06 1650.94 3713.8 2461.82 8147.53 2118.25 2588.26 4492.74 2430.01 1459.88 2070.11 1119.14 2732.35 915.86 1148.69 1876.84 2354.95 2138.32 3821.37 1359.01 2665.28 1421.41 706.11 914.52 2232.82 3812.22 3167.35 4909.48 2920.18 1811.35 3118.48 1879.74 3420.72 2101.69 3430.18 1638.4 3916.85 1523.06 2948.21 4580.35 3085.49 2041.33 4813.56 3796.59 7800.25 7105.71 4147.8 3608.84 3440.1 861.74 2437.86 2266.55 4998.19 4889.32 4395.56 4139.62 1552.21 3325.78 1658.24 1500.95 2198.34 5341.01 2350.82 2483.88 3082.02 2296.81 3831.21 3369.41 3334.22 3331.53 3248.03 3517.93 2937.65 3287.6 3123.64 3257.02 5alpha-Cholestan-3-one 284.26 1825.88 2042.01 1858.36 2424.48 5104.14 3012 1752.42 1595.98 433.58 610.1 1701.57 1411.92 1108.02 3121.83 2580.8 2055.34 2805.94 5908.54 2007.78 1605.74 6135.36 1656.66 1658.99 1644.05 933.99 2059.04 602.38 2817.2 1132.86 952.82 3276.81 1667.87 1429.73 1664.17 1636.35 958.96 1456.78 1911.13 661.95 1164.27 947.04 561.58 1611.24 960.93 1454.77 2779.61 9001.53 355.01 1461.57 1515.6 1769.02 801.54 1651.85 253.27 3264.89 1736.16 1506.51 1120.24 2023.34 1513.52 2186.42 1132.48 2613.06 2164.29 1531.89 3759.93 1826.76 1520.94 2727.63 1050.27 909.76 815.73 2734.18 4579.82 2704.09 3529.78 3488.03 3294.19 3477.54 3554.97 3525.06 3534.39 3647.66 12-Oxo-phytodienoic acid 4896.14 4229.57 88266.11 156547.8 77768.23 135091.88 51348.98 1353.41 7927.34 4124.19 25894.57 21050.43 29165.06 5593.46 3407.85 291126.53 125741.7 3888.43 1031.04 17595.82 35857.9 1361.18 35058.45 12768.15 1043.53 4878.76 1568.31 16528.64 25233.6 3269.59 1928.85 28152.23 21220.49 62189.89 99383.3 3889.88 11003.83 21389.31 19234.03 34610.06 122441.49 11101.63 20109.87 17355.2 14349.7 56732.62 11616.09 9944.74 6323.28 149739.29 9793.36 11552.98 21989.19 82606.73 47368.43 19504.67 116791.6 21816.02 9416.25 65646.91 34240.82 30676.33 15050.65 68168.78 12631.12 31779.42 19494.5 11541.2 13481.54 5253.11 10643.08 4840.48 46731.44 37388.71 96342.1 42595.75 42584.97 42633.98 41116.54 42683.81 41078.24 42139.82 42203.64 41910.63 4-Dimethylaminocinnamaldehyde 5111.29 5903.02 4915.03 4866.19 7964.36 17225.28 5488.86 6792.73 8035.91 5123.45 2705.31 3427.04 5878.97 2506.59 6318.16 6670.11 4483.95 5150.23 5047.83 7547.58 5671.53 17855.72 2469.71 3381.15 6824.9 7120.13 2934.59 2933.37 6301.35 2930.49 5135.58 5787.02 4814.35 4900.38 3131.49 5779.79 5604.49 7876.08 2538.58 3292.44 6831.16 8626.55 4156.15 3000.74 5808.08 4158.41 7334.41 4800.52 2568.93 5755.41 5532.14 7238.01 5944.8 4443.29 4710.7 5759.97 3810.33 4000.64 6050.24 9755.96 2545.63 5932.39 4863.3 4540.5 2836.92 6152.76 8145.47 4160.62 3538.07 5487.5 5613.14 3621.89 3244.95 4960.71 6551.82 6280.4 6293.13 6162.36 6340.85 6428.93 6254.71 6340.74 6263.26 6344.23 [(2R,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate 251.32 92.12 1011.97 6982.83 7266.4 10193.41 13066.32 347.97 112.43 317.78 118.69 163.43 4242.69 577.38 486.62 3114.77 178.68 163.69 558.1 445.05 87.58 2283.3 145.42 93.21 142 240.81 231.09 419.77 1016.99 126.23 140.59 89.3 103.02 764.81 479.7 487.81 132.17 697.89 602.29 349.28 5232.63 1309.85 227.78 473.3 163.28 5152.94 394.79 149.74 155.01 843.19 271.61 100.17 405.36 1004.61 1637.89 327.24 657.98 227.09 413.75 2711.6 178.54 997.36 542.26 153.89 355.22 815.03 134.74 272.36 163.66 287.65 132.78 380.35 93.68 520.92 1199.6 2461.36 2902.3 1382.47 2297.99 2473.3 2464.58 2331.72 2465.56 2361.89 Leukotriene C4 methyl ester 433.31 1385.64 2590.05 303.54 2214.29 908.16 410 658.09 877.24 1884.52 318.96 1651.23 422.21 449.27 1124.21 872.39 9394.99 600.98 467.95 900.65 561.17 507.48 1249.78 490.13 1236.21 1229.08 313.05 567.38 976.09 451.94 611.74 1603.45 1099.46 2439.04 2032.21 439.56 1204.21 25587.51 519.06 428.5 8322.64 11485.73 1542.26 603.08 987.59 436.22 2253.39 591.79 680 1388.67 5448.84 13543.29 1377.94 769.27 3678.19 19565.05 2708.18 2510.69 7007.11 13307.63 1781.93 2278.7 13098.09 4238.65 1055.42 10782.6 24695.19 213.58 790.87 2531.11 11472.58 6190.71 3047.57 3308.87 1499.54 5281.36 5595.49 5278.17 5620.87 5318.37 5277.22 5645.26 5595.88 5418.64 N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide 1848.64 9721.11 6653.27 4332.33 41020.1 6112.02 3588.94 33528.97 25188.3 2476.26 4337.72 25101.26 7650.14 1575.69 2270.39 19200.33 7774.73 4708.51 15198.87 42317.89 4957.45 38230.04 1966.02 7777.88 1850.23 13043.75 6855.04 1910.38 5722.67 3902.3 13457.5 7931.93 35446.49 3627.4 7791.43 8073.88 10414.67 8848.95 3455.25 16024.44 13398.16 3281.04 14055.9 5946.19 26129.96 12110.39 30507.43 947.29 10912.56 10053.91 922.89 8158.47 10468.02 23658.14 13538.43 12458.58 7829.45 8614.12 9998.77 13657.72 1579.35 1413.31 16794.92 14036.79 5223.11 8830.54 16936.7 819.81 2211.57 14403.53 28991.19 5132.54 7695.41 5004.98 7786.64 7602.28 7425.69 7929.65 7624.73 7353.48 7545.85 6635.75 7735.46 7409.43 Methasterone 4093.05 9601.34 1828.82 598.29 1136.21 1529.8 3181.69 10093.1 8747.29 1882.76 288.07 12420.57 1936.83 1978.69 13235.98 825.6 1967.44 7580.68 842.56 5550.96 20135.43 381.33 1903.26 519.34 6954.08 6666.6 324.32 427.37 16451.35 3668.89 940.27 1858.36 23889.33 657.29 462.41 8433.08 12456.5 11717.5 846.33 852.62 3236.87 4745.28 1031.7 286.33 7934.57 565.17 9493.78 9057.08 897.86 559.1 7818.71 6836.76 1495.11 545.02 11091.15 10051.25 1011.47 420.92 12016.41 8631.02 523.6 651.52 11223.65 1056.04 646.65 20158.67 10139.12 705.67 732.95 12757.76 7839.06 583.89 1311.36 1067.56 678.78 5892.41 5850.25 5789.94 5786.85 5785.63 5789.77 5864.71 5896.46 5696.52 N-(5Z,8Z,11Z-eicosatrienoyl)-ethanolamine 5095 5399.47 3029.04 3817.35 5518.92 4417.37 5225.95 12337.98 7503.35 1387.08 3295.73 4891.03 7453.62 398.12 1801.76 2365.99 4692.41 4663.56 22626.8 552.53 12130.18 10755.17 3369.87 25927.09 7697.89 5229.71 590.01 802.33 5449.11 4580.41 7930.12 1967.43 3701.04 4469 495.26 7882.2 6891.43 1382.59 4328.88 6781.34 4763.94 7899.87 1470.94 5627.23 4766.71 11234.35 5955.52 4923.07 799.49 14735.44 793.36 5796.81 6422.6 5053.57 4147.91 3992.54 12280.25 5018.01 7496.38 5901.52 646.56 4048.55 2681.62 4447.38 4158.13 9790.02 8788.93 7791.91 10604.21 5888.72 15423.9 4144.75 4551.54 498.19 13990.26 6704.47 6245.63 6699.3 6680.35 6681.14 6777.12 6779.06 6679.14 6775.84 Medroxyprogesterone acetate 3609.03 6355.59 9021.86 7834.91 2412.61 4750.05 8893.98 1933.89 1917.05 5576.2 4325.72 4058.63 5662.93 3614.07 7103.25 7148.72 6340.28 859.53 18343.48 10001.25 1048.06 3958.59 4764.93 10331.5 3388.69 7143.33 10632.45 3097.8 3561.03 5480.82 6581.47 8368.34 2539.44 6594.08 6426.07 5534.2 2562.28 1278.26 2526.96 15486.63 2653.56 4332.29 14217.76 4800.28 4033.41 2223.81 9689.36 3645.41 4474.07 3712.05 4101.91 1470.3 8058.92 10641.01 2939.93 4400.33 11790.42 17256.74 3552.55 1028.37 7191.52 3468.05 3413.3 10882.41 9532.84 2553.23 3789.55 4063.48 5341.82 1496.02 4454.29 8683.78 6663.13 14141.51 3529.64 5060.25 5357.98 5360.16 5467.5 5467.3 5419.21 5471.36 5399.3 5427.93 Dipivefrin 345.76 27.32 36.6 14949.88 22337.57 28291.79 39253.31 491.21 46.15 163.28 72.29 332.27 8027.98 34.83 35.67 4070.76 52.61 173.13 159.67 260.52 347.46 725.28 465.74 42.15 181.94 34.21 551.73 137.04 476.9 599.58 45.14 775.38 176.54 2114.62 217.04 140.28 134.84 1847.74 995.17 241 15654.91 2172.45 98.57 102.22 203.08 10886.24 349.69 213.72 337.49 1604.6 2259.57 241.39 151.59 1719.6 3239.85 180.37 1569.19 41.61 134.99 2618.19 181.35 2151.68 245.38 361.66 144.02 1224.39 163.93 78.72 139.78 57.64 130.85 163.58 56.59 67.9 1900.94 23857.42 37588.01 33731.17 26759.95 32159.39 38868.81 22905.55 34503.0 21226.65 31612.37 42944.89 40106.57 40056.78 40480.96 25911.23 39505.93 27590.09 26067.29 22580.38 28144.08 39393.47 38478.09 33934.97 38435.57 35886.6 6191.55 6258.75 6211.48 6188.21 6107.52 6199.84 6211.71 6211.67 6182.66 Oxytetracycline 474.27 469.02 249.27 6347.55 8361.39 29486.83 65361.33 299.64 297.54 383.88 589.57 701.15 4342.33 185.21 525.06 993.51 209.62 150.97 209.57 605.88 202.53 187.04 551 224.6 611.08 530.11 394.61 450.58 294.59 297.61 390.4 487.28 192.6 618.92 296.19 458.13 302.62 189.85 169.03 225.13 10624.02 1419.44 128.8 359.5 522.03 4390.5 583.27 213.73 263.58 201.49 281.76 361.92 126.3 959.43 979.23 411.44 704.15 1795.69 225.73 2605.51 546.03 219.49 270.77 213.89 223.55 268.14 725.68 822.83 12848.85 375.2 884.53 451.67 175.39 2856.2 456.52 2016.48 1869.62 1872.14 2016.01 2038.86 1900.51 1977.12 2022.02 2113.07 Hyperoside 7560.54 2304.15 957.08 598.91 7411.19 387.1 583.21 9035.81 7183.72 3232.28 491.05 1891.3 1609.38 938.22 3867.93 2637.74 1708.43 4513.09 2545.63 6649.3 5866.05 1349.69 534.83 793.81 6492.78 4434.22 785.06 3083.42 6435.44 3195.14 7261.06 3067.45 2907.13 1724.45 920.23 7058.79 5292.32 1707.54 1429.46 1592.71 7059.16 7803.32 969.35 894.31 5748.33 2143.52 6267.79 2992.18 4920.44 4124.95 4618.7 1860.99 410.14 821.77 3347.07 693.58 832.33 1122.45 4097.68 770.6 1102.76 471.26 1285.99 818.57 1483.86 2877.61 3462.65 2086.32 2639.75 7057.97 7347.71 2815.57 3056.59 1165.46 615.47 3880.87 3830.42 3899.86 3832.61 3898.73 3897.4 3830.36 3835.1 4087.29 Echinocystic acid 51601.6 63442.57 37830.41 39905.55 75761 69699.87 23176.92 36566.52 40713.43 43820.69 20836.51 33176.04 36453.79 53806.31 39985.82 39365.84 43217.04 54244.85 54813.52 52969.03 41984.37 33125.8 28905.64 28754.3 38265.38 61546.26 34485.85 34597.98 58484.8 59254.1 57071.58 64756.56 36471.23 49877.89 34473.49 53607.56 43563.3 63247.06 35915.26 43239.82 63263.19 60083.13 41111.34 50280.46 60684.15 7724.89 49442.09 47484.55 38786.62 72291.56 54782.79 56669.45 39654.7 49961.42 40447.21 51500.35 39880.8 33936.81 41239.42 39439.05 41668.17 37835.72 43224.5 40853.34 31307 38117.98 60867.41 38484.71 37455.8 38734.46 44679.1 45790.49 34831.11 43587.58 31426.09 43825.32 44841.57 44452.97 45046.02 44454.51 44720.83 44445.78 44721.21 44723.96 Triphenylphosphine oxide 7628.26 11079.74 11692.82 7853.93 14900.38 8339.57 16276.28 15728.97 3469.07 6978.8 9797.18 1787.84 4689.06 9988.6 12163.9 10110.21 10835.57 5499.95 7904.1 9577.15 11428.64 8063.8 4409.08 12458 11046.41 10813.93 8540.99 6217.18 9509.77 11329.13 10273.14 7993.76 5821.52 3975.83 6411.65 4856.53 12711.72 5141.65 6115.18 5678.31 7011.89 3824.08 4878.28 2487.51 4254.35 2744.03 3214.97 5898.16 2458.53 2511.51 6504.32 6472.26 4056.63 4304.09 13330.26 2900.53 2757.18 5055.93 7406.48 8423.85 3080.27 4018.96 8925.88 3245.84 7049.33 3821.84 6741.28 5367.41 6136.49 3902.06 2432.05 6936.2 4634.55 4752.88 1828.86 8972.25 5589.58 6527.04 6601.18 5481.71 4449.83 7586.58 6511.85 6422.9 (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid 6585.83 17414.45 3605.9 19729.2 156801.92 62384.76 94180.44 4908.57 6371.51 1900.31 4829.75 3127.05 17173.11 5333.95 6465.07 16359.24 7784.45 739.69 5398.04 544.19 5646.28 309.97 2937.31 6109.32 1416.33 746.75 2222.16 5126.36 6852.11 305.86 266.49 1801.1 366.16 2866.77 1311.87 6319.96 4599.1 4717.27 6359.05 11870.84 39086.01 17536.09 6416.93 8532.05 3680.9 27593.98 5335.46 3673.88 876.71 3463.55 1665.98 5556.59 5264.87 6624.05 22774.57 10913.49 9632.92 9526.4 7009.73 10575.49 7312.74 1258.66 7927.76 10756.44 24386.33 4932.63 7197.32 7491.79 7413.46 5623.09 8751.01 1979.08 3410.03 3687.53 2375.7 22408.02 22832.91 22472.84 22338.16 22404.73 22488.92 22698.45 22435.19 22455.34 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine 603711.15 899143.3 716252.86 789992.09 857519.36 1108765.29 674828.29 584768.61 648865.26 638345.39 411208.1 583480.09 734341.04 908578.1 759669.2 768807 802336.35 1017113.9 840963.15 835781.9 818340.32 545920.02 536240.89 492056.77 538236.21 842731.37 487140.79 604203.48 734457.58 821758.67 915639.05 1024355.9 610936.92 794457.37 585729.04 793218.53 687889.65 925613.11 714105.27 678504.71 1031982.4 904626.42 727154.41 721823.96 826346 334436.9 728809.77 808718.58 619307.47 1126470.58 846921.24 969241.83 747229.6 838427.1 600789.74 870389.59 758108.98 632476.27 649881.32 635365.08 646812.47 549813.13 645661.34 654643.68 570955.1 697354.37 1001609.73 698767.62 617498.61 602400.35 764941.57 661509.02 630487.62 891815.08 835257.33 3033.1 7333.9 3348.19 3571.53 3678.79 3507.62 3527.37 3463.42 3185.55 3006.56 4160.65 3191.54 3207.29 2746.94 3465.63 4185.27 3577.9 3240.69 3220.35 3311.64 3357.63 3169.19 3333.61 3469.1 2403.5 842454.41 840693.26 847994.7 847075.06 840876.71 840675.67 840846.75 846470.73 846658.46 Levomepromazine 6070.67 6671.82 3442.72 1918.71 10321.27 3246.1 4698.15 2069.89 5453.14 5785.83 1544.39 11252.4 5781.72 1674.75 1595.03 11135.35 12188.23 5851.42 3142.36 12346.41 4789.38 12016.36 3136.73 3546.25 1474.64 3384.67 2780.31 3878.38 9329.13 11093.99 5322.62 9569.53 4663.63 5617.36 1670.78 4533.36 7145.55 4533.66 1141.65 4440.2 13470.54 14817.91 2746.24 1263.05 11380.32 3889.37 9744.12 5513.25 7218.53 3103.24 1518.38 4382.85 1632.76 1559.69 4396.81 6033.91 3273.91 3342.81 3746.38 4841.33 3483.84 3646.12 2152.07 1281.84 3694.19 8273.69 9546.14 7304.81 5089.61 2415.73 5191.51 3581.48 4950.32 4522.74 7970.85 5252.18 4935.27 4612.86 5391.92 4834.53 4486.12 4478.8 5158.49 5423.86 N-acetylsphinganine 951.3 7734.81 2253.36 3387.1 1802.16 16485.76 4726.1 2976.73 557.96 838.05 394.87 1481.45 3076.63 602.65 6590.64 1524.16 6756.61 2194.39 497.79 11067.97 2655.04 1947.37 2390.48 2574.58 886.83 2933.52 2529.31 431.99 510.16 2093.74 3679.4 6992.53 3204.02 5991.7 4584.83 976.77 731.92 760.48 2493.07 1082.95 4878.36 2121.47 1085.96 5509.14 2396.56 1797.97 4486.54 5677.45 649.35 7274.26 767.54 548.27 2969.85 2447.4 3120.47 3904.23 1012.89 1531.34 2681.38 3839.07 1126.64 2262.36 1329.68 1335.56 1065.67 1549.3 6233.08 4598.4 4763.81 3407.92 4294.51 835.38 845.1 4084.28 9084.2 8799.22 8054.34 9449.43 11208.69 9264.32 10713.8 10492.91 10027.03 10325.1 10396.6 9278.77 10872.35 11659.74 9103.38 9679.42 6707.96 9713.48 9912.32 9916.88 11986.43 9717.19 10307.54 9567.18 11531.86 10997.28 3241.23 3262.71 3100.67 2989.5 3268.48 3351.56 3283.55 3201.71 3132.53 Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester 723.17 3863.03 1052.85 1952.38 3102.16 8318.55 1030.96 2715.46 6252.61 1496.64 1323.69 928.14 1411.85 1933.74 4548.31 1147.63 915.48 1802.65 777.63 3149.88 1402.09 3353.49 1019.47 731.04 6143.88 6054.98 887.46 1410.54 2159.43 669.77 1747.99 956.88 1990.67 3004.06 1107.59 2331.98 1886.96 4804.79 605.54 945.66 1901.39 9652.82 911.44 952.36 2398.07 2009.1 3204.52 987.12 2006.91 1076.2 3279.55 5304.13 1302.36 2039.87 1747.96 2200.24 693.66 633.59 2834.96 1439.52 653.81 821.09 2706.99 925.47 320.21 5386.06 4107.78 1493.72 1481.8 3550.04 5730.91 2194.05 952.84 959.2 1385.54 3208.19 2919.29 3265.83 3298.32 2880.01 3135.58 3284.66 3280.97 3438.2 3-dodecanoyl-NBD Cholesterol 7385.81 1114.25 7037.58 7879.14 7375.56 5562.47 1945.21 4710.52 3010.74 3047.25 247.46 1789.58 701.94 624.59 7524.87 1850.75 6652.31 7911.54 765.07 6428.08 3654.99 408.92 893.07 514.15 8672.85 331.93 686.15 877.87 6026.99 6971.21 1639.38 11124.8 532.44 6928.16 2116.08 5622.12 3021.94 1130.51 2514.03 1725.09 6255.72 11294.42 2986.21 850.63 6317.94 4689.36 7781.32 4801.23 5240.97 27442.64 2946.47 1179.37 1519.65 3409.54 3837.39 4387.86 1103.18 1153.19 2327.22 320.7 1985.16 1594.93 3188.95 2842.58 2167.93 3223.24 2320.24 2533.85 3401.78 2074.88 3150.58 5040.14 3632.33 4956.07 6412.63 7168.75 6932.8 4871.11 6788.02 7043.78 6653.53 7218.58 6788.37 6932.92 (3aR,4S,5R,6aS)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one 2610.14 2393.56 2103.18 1902.94 2290.13 1814.59 808.74 179 809.44 384.56 652.81 577.52 1512.4 2039.8 1913.64 1755.41 1332.52 1898.61 2289.38 1305.66 1903.31 659.33 749.9 2963.52 2234.95 1747.26 2801.63 2241.37 1787.3 2683.35 2132.35 2709.07 731.41 915.64 1457.89 1176.55 894.49 1458.93 1483.86 818.14 1874.17 943.34 1126.69 1984.97 277.98 2012.71 197.55 1322.95 658.57 2341.11 710.23 687.29 1337.51 884.98 783.71 903.69 1298.21 1505.9 463.08 1029.08 1619.29 940.92 608.45 1518.42 1112.64 1381.19 1318.11 1718.98 1441.71 774.11 544.77 2776.6 981.26 2086.88 1326.23 6113.52 6010.26 5942.15 5745.56 6106.7 6016.17 6253.11 6038.77 6045.97 Oxandrolone 300.67 1090.08 14545.75 15553.84 2901.74 20804.69 51825.02 731.92 3108.53 5215.54 755.3 231.05 16005.31 3428.19 10503.24 12474.59 19219.31 838.52 886.05 932.9 926.59 221.48 2336.48 6950.59 255.05 4942.87 275.08 2822.54 426.4 286.64 6114.53 1071.73 568.7 3273.26 13148.17 2908.88 3523.56 5400.18 2629.61 2057.46 35638.66 8107.76 4811.81 3287.55 3578.3 9684.55 3440.44 2442.95 948.98 10031.85 2071.41 4014.17 4483.51 13457.79 17068.26 6805.85 18890.91 7074.32 3742.12 23191.36 8677.7 5431.29 3776.75 12746.68 3904.58 5987.09 3284.32 3212.81 3265.15 3365.47 4100.22 2126.92 3982.88 8586.61 10227.72 11235.03 11425.48 11641.59 11367.41 8880.52 11488.26 12184.16 12391.46 11665.11 Dextilidine 3613.14 1838.66 4042.26 9891.53 2622.77 19626.49 75340.3 19759.85 20699.76 26331.32 82153.11 75515.13 87207.02 40582.78 9499.34 52359.42 15085.72 4811.14 54362.46 6567.06 12842.5 20543.49 55211.32 22861.38 1707.77 2113.33 22684.29 12731.09 4069.64 22511.42 5373.17 68595.55 8733.07 40343.72 25112.94 810.94 10176.83 27371 32608.95 56127.26 15559.03 24296.89 35615.45 26955.62 17221.66 50347.1 8631.34 20996.63 36384.1 83360.21 5661.81 7945.91 24390.42 38144.58 645.93 5060.02 6058.45 11272.94 2082.35 1099.07 11572.66 20146.55 2393.24 21534.44 11624.09 3742.59 15021.86 24201.95 24225.71 7444.67 10834.22 31096.88 59758.36 51917.3 51815.52 21250.86 21439.92 21229.82 21126.5 20423.32 21389.04 20761.59 19375.39 20529.61 Meperidine 944.64 1717.75 645.44 851.76 1506.76 576.99 1606.77 960.99 1312.13 556.53 506.63 3799.16 7235.55 3134.73 932.32 1464.04 736.22 4451.09 3173.45 8297.43 1358.34 1329.82 723.59 991.32 494.21 659.03 1121.35 389.24 5521.91 2477.86 6522.2 3536.32 358.97 1121.47 1121.65 5632.1 1350.67 1503.82 402.07 334.47 6863.16 2446.56 1517.11 810.19 9036.09 2147.72 6917.73 3576.82 3917.57 5481.72 1789.05 1943.77 1409.01 966.15 911.14 521.29 813.16 507.42 1562.58 1906.18 768.32 795.64 1356.98 1287.5 1199.96 391.44 2855.19 622.52 657.76 968.34 1945.11 517.98 1083.97 1577.46 2664.91 2415.16 2405.82 2406.88 2816.99 2452.78 2378.91 2332.94 2333.68 2360.34 Ciprostene 11405.69 53111.04 50986.74 30056.96 125230.13 43565.81 40221.9 88231.59 29785.9 10385.96 14768.83 83978.5 64467.87 37035.09 35220.1 2607.49 59556 87655.33 133245.43 25113.33 67372.01 48576.74 77219.87 32681.77 53282.13 22895.71 9653.84 12214.29 139764.02 30724.77 1211.59 53530.72 112921.4 88306.02 40190.36 144468.61 53035.95 31734.05 31776 14505.32 19789.86 31186.6 57088.76 10225.96 53784.64 32838.69 46579.57 133410.32 84224.2 53517.87 103630.96 161202.91 262804.47 80810.6 110088.59 31058.01 91308.45 9012.03 106786.64 13708.43 110274.9 82222.39 72661.86 156680.26 72766.14 51395.23 16875.94 14190.7 15196.81 117757.1 18122.38 13329.09 54997.24 26542.15 35739.21 65860.95 65703.81 66314.2 65703.13 68892.58 66322.56 65710.06 66222.37 65947.08 Actinonin 521.82 1693 1502.09 1706.49 1501.05 941.77 876.44 922.17 2850.87 894.98 1043.52 697.39 1498.49 478.73 1850.12 1332.45 1085.6 1080.97 2037.71 1178.29 2534.79 790.59 353.04 1883.29 669.12 6420.33 537.94 419.73 2301.56 1841.09 2678.52 1176.64 389.74 1745.53 2229.15 1528.73 6619.58 3364.77 1788.73 449.01 577.5 2372.63 3268.22 1155.62 389.91 743.42 2325.56 1526.29 398.93 1406.96 800.3 869.34 1401.64 2737.49 450.34 931.96 3297.11 1556.28 2146.83 1744.84 1269.64 507.41 2376.28 999.73 4635.39 1178.5 1651.34 3120.46 1711.76 1461.09 1980.34 1738.09 1692.03 564.58 1491.38 1343.74 2050.03 2375.27 2469.52 2727.94 3285.14 2419.09 2499.65 2640.22 PGF2alpha methyl ether 24760.13 29590.76 57942.22 39382.9 31372.59 27579.57 28764.14 15628.45 16575.45 18181.12 11160.74 13069.43 18267.53 20401.01 16292.79 25063.79 41924.47 17923.94 18403.97 17901.5 18964.85 23569.2 19988.18 41583.58 23106.09 17049.5 13658.32 13073.42 17097.95 13580.74 16937.32 22055.83 22313.97 16168.27 23599.64 14939.1 26400.55 24116.43 21905.46 23065.09 19299 20834.85 22750.68 25230.29 24591.81 24418.6 19649.36 17533.21 7832.49 14050.78 10792.94 16141.08 16679.59 21870.28 17821.32 22107.19 45751.58 42010.15 18239.83 28366.68 54500.27 28581.14 28490.79 21324.27 17015.96 30826.44 15582.36 19670.84 21635.48 16877.63 10367.61 17171.39 17865.97 20985.69 24388.61 21899.42 21897.41 21767.43 22278.72 21717.05 21751.93 21547.8 21721.02 21717.09 Deoxycorticosterone acetate 1918.79 6736.29 6589.89 12087.12 19586.78 5503.57 31004.35 11615.09 10824.28 7523.64 10087.37 8932.09 31204.72 10100.03 7936.49 12712.9 8121.86 821.19 16624 18014.81 8660.49 35860.63 7227.33 11739.41 14144.41 723.23 11000.44 11462.2 4056.68 12361.42 7373.5 20938.53 8965.61 12104.15 10583.55 9246.81 11415.99 7380.68 10879.04 10541.51 8766.77 13042.93 10615.08 8637.72 6778.3 14241.24 5306.6 9398.02 9291.27 16765.18 9502.21 6448.29 12676.48 13209.87 10994.98 6706.07 7847.52 8972.77 9056.35 5131.82 7590.75 9576.54 13054.96 10919.47 8026.39 10280.42 8839.22 11114.46 8663.02 9965.81 9058.67 9746.82 11971.78 14007.49 13675.17 12469.15 12454.99 12266.78 12348.85 12087.55 11274.31 12073.36 12422.21 12102.66 Tetraethyl pyrophosphate 5266.97 6200.04 1448.35 2012.96 6180.89 9786.44 4390.61 7811.12 7920.16 4934.06 3543.04 3555.25 2698.38 2087.72 6834.15 3986.41 2812.74 7348.65 6892.2 10677.46 4610.89 5048.14 3289.25 2557.14 6444.42 7374.17 1390.45 1868.06 10246.5 2024.56 7616.05 7858.96 5624.03 4395.54 3515.36 4770.06 6937.24 6643.22 3307.07 2864.24 5553.96 8784.61 2417.17 1559.8 11194.59 5370.57 7362.07 2599.76 2833.19 5784.47 5179.64 5847.17 3173.14 5069.43 5760.65 6022.83 1356.01 2016.49 6403.69 4997.02 2124.38 1921.84 6309.12 2932.64 3059.39 6558.41 8172.66 2473.33 2084.5 7346.88 7958.49 5504.44 3454.19 1381.12 3784.03 5325.4 5355.51 5291.84 5548.63 5354.44 5239.24 5291.44 5356.91 5339.73 16-phenoxy tetranor Prostaglandin E2 24993.29 19325.88 8016.79 6530.36 23981.12 21505.38 20197.87 26525.04 19668.15 14738 8520.89 3738.62 15415.22 16682.96 22750.02 18750.21 9230.72 16407.95 36807.79 11873.96 20955.22 7071.75 2944.05 16905.81 33468.95 26635.65 19228.47 20287.14 37574.41 602.07 9011.23 31667.29 8655.5 16886.39 14444.85 23837.56 23577.95 16803.62 9714.61 12846.93 16032.79 32870.89 6512.02 12836.78 24066.67 16517.46 26235.7 22273.75 19526.66 23501.95 20706.77 15750.16 16735.9 15792.19 11738.69 20273.57 3751.64 8366.94 21277.54 12258.53 12333.22 11531.51 21824.32 7386.24 5851.99 32094.8 28468.59 13406.23 8710.61 23559.47 22937.54 10566.87 13559.44 7846.62 12906.77 17621.27 17103.83 19477.17 17285.71 17791.93 17849.38 17920.43 16565.3 17210.51 Mibefradil 20556.48 6104.52 7096.96 6098.94 5518.52 1246.81 2380.36 18273.08 6272.39 4252.55 11923.98 19207.91 6501.09 1037.01 7029.39 21635.05 5620.11 10707.77 3798.47 13910.04 8136.03 3696.55 6608.02 6842.75 11031.44 7995.38 10061.56 16490.45 9919.02 17000.58 15655.14 18528.89 12233.47 6342.93 10240.08 10636.57 15709.79 17490.49 14500.32 17313.74 15181.45 26643.7 11932.53 21698.95 11598.38 14530.82 14188.34 12574.31 12368.65 9416.46 33146.31 26361.53 14585.56 6492.49 14817.06 9748.89 8409.68 2655.29 14147.13 4479.21 7555.01 20274.39 10025.2 11937.68 12589.75 32690.88 25528.53 15884.72 24020.78 17168.76 9860.96 7134.26 22599.65 10856.04 4408.49 12669.12 11929.91 11727.19 13127.89 12076.34 11899.26 12647.62 13506.57 12281.73 Diethylpropion 1046.76 1953.03 471.98 499.06 2649.81 3769.4 1966.66 2288.57 1096.66 1365.05 570.12 1063.67 2603.43 819.27 2753.22 2263.87 2243.54 1361.06 3414.41 1216.59 1677.7 1017.9 1976.67 1254.34 1790.15 2778.14 837.12 1707.69 3029.41 1199.69 1131.74 2850.34 1617.48 1351.56 1231.34 1974.97 1241.71 1145.45 1504.36 1132.61 1488.22 3186.5 1549.57 685.79 1455.99 2023.69 3044.68 1173.27 780.16 1969.04 1507.19 538.88 1240.84 1079.18 976.2 1977.25 1438.89 2440.82 684.43 641.59 1187.58 885.95 1319.87 641.75 1981.65 1963.05 2272.36 623.77 1308.7 798.05 1411.67 1047.73 1412.98 601.6 2213.69 2061.34 1621.37 1206.41 1758.25 1781.89 1769.76 1571.02 1812.29 1755.35 Dioxacarb 1620.39 3248.02 2438.89 2220.46 1378.61 8726.61 747.08 2951.2 1699.65 890.72 802.24 1190.74 1127.86 2984.85 2663.49 2472.83 2489.06 1548.97 2871.51 1754.13 3458.01 2677.22 2672.31 2598.23 935.02 866.77 2320.09 723.52 8473.62 2535.91 1460.73 2208.49 1796.64 3697.38 3375.33 822.16 806.08 5228.64 2471.79 732.67 1557.04 2670.5 2782.08 9483.57 2848.75 2307.06 3127.28 1411.91 843.94 1315.48 3679.86 1238.41 3289.45 3622.74 1555.27 5068.45 732.88 2410.76 2617.39 694.92 1731.61 3437.82 4429.2 3873.59 754.01 2725.5 1570.72 2475.33 3150.88 2448.68 3634.48 1651.26 2660.03 3731.58 2045.83 2482.36 3310.62 3120.13 3117.39 3107.53 3055.5 3011.35 3015.94 3136.08 Poly-N-acetyllactosamine 5889.95 6132.14 6359.8 6021.06 9059.28 477.68 24182.23 12183.86 19097.33 1168.84 4690.01 8136.34 6122.34 1933.33 8334.4 21097.52 4812.34 8900.15 2345.68 7262.61 7644.51 5981.17 4827.97 1620.78 8289.57 5049.32 6634.75 8639.27 7636.63 7153.99 6923.81 6605.28 4257.9 11792.04 6446.91 4354.61 8913.08 6069.55 6421.15 9546.61 3340.52 3602.35 5510.64 1107.68 9341.85 19318.86 16643.72 5119.76 7870.32 5218.51 11449.44 9635.56 9077.49 16685.83 8993.02 836.16 979.44 1319.72 7079.85 12015.34 957.12 4651.62 8889.74 9771.43 8333.87 16682.04 14563.14 11346.71 13931.39 11435.3 5616.73 7492.39 5474.09 15002.99 14300.32 100147.32 94744.2 122610.66 95315.69 131151.16 86416.6 178892.84 106898.04 62468.12 88863.09 111205.71 59389.49 162133.56 84958.98 69450.79 105106.74 106895.08 159131.58 131003.31 75981.24 205500.52 81790.78 107606.12 67790.2 69844.5 8525.24 8584.98 8586.18 8525.36 8473.21 8573.13 8438.68 8753.1 8438.62 Mesoridazine 72340.19 44325.7 23736.42 27732.89 49202.47 36031.11 5022.44 93736.71 66363.13 62133.27 44344.72 69076.89 33270.92 46792.83 59056.65 73654.6 10979.41 65727.34 71615.99 82871.75 99160.06 49119.17 34930.69 43984.83 74507.57 64813.06 56550.29 49056.63 93170.81 62367 91099.85 160324.11 52096.01 56660.49 52445.22 87882.79 72863.73 55299.03 34125.22 9968.81 59430.43 108796.33 53178.67 34032.01 92508.46 25821.02 50176.19 53697.98 96782.63 89644.14 106984.53 61946.57 48869.47 35466.94 75020.54 43550.87 19683.67 21669.6 85087.32 45348.74 48646.4 35141.77 52089.94 46797.01 46923.53 83749.39 52822.39 50479.49 44832.99 73009.8 54099.14 68877.36 53979.4 39872.69 45415.67 59562.62 58482.33 59680.89 58872.18 62321.71 54887.25 59698.8 58864.8 60283 Diosgenin 58628.21 73473.52 70070.42 84028.97 84518.42 111324.76 48623.74 42421.15 55104.69 56238.84 24374.12 40662.57 45354.93 66637.53 56410.58 57943.25 79801.92 94104.76 64004.3 63560.94 67433.43 37431.71 38058.02 46921.68 48523.11 69378.63 47483.51 51571.25 57938.75 66526.14 79990.14 67462.78 36886.83 74175.52 47225.37 67867.02 52561.1 76906.2 61028.11 50975.36 81352.04 67484.07 63695.26 70365.74 68898.4 19596.77 52897.45 64955.25 38115.01 82708.62 82524.16 68096.81 71643.76 66986.89 55716.24 76203.95 70838.87 67405.84 69525.87 58192.94 65724.71 59041.94 57467.67 63064.36 57393.17 57974.68 92497.09 61147.22 52068.53 53769.88 62261.47 53919.11 49089.15 67261.43 67812.52 68276.67 68277.3 69471.03 68772.88 68778.48 68507 68300.81 68787.26 68701.91 Prostaglandin K2 1976.39 1161.44 1173.17 1973.46 2547.5 2261.49 2000.98 864.15 1609.96 2087.11 1166.43 3664.33 3193.01 3033.17 2839.53 1733.82 2213.54 3938.46 4147.23 6160.72 1843.18 491.22 1298.35 1487.73 1615.88 621.05 1121.13 1504.35 3222.64 1470.39 3086.51 6855.51 384.24 2699.31 1880.7 3689.28 1184.26 450.72 1003.86 1318.06 1512.23 1211.28 456.81 3158.47 2489.61 2391 2311.99 2614.19 1234.55 4396.14 1575.43 427.01 1058.43 1085.94 465.6 664.81 1063.47 1218.72 1139.31 1370.86 839.81 1244.38 2365.91 985.23 928.16 1476.47 758.57 611.71 3162.07 1381.22 2471.11 1123.14 2234.48 471.34 2830.95 2184.49 2265.17 1905.47 2219.77 1571.32 2162.35 1984.33 2182.82 1998.12 Val-His 109941.69 76021.61 38440.73 59295.86 93740.74 4449.73 124872.8 155886.77 147712.51 118526.34 208762.96 235085.45 68974.28 279849.79 109823.34 238630.36 158559.5 181380.32 241212.89 223374.28 144659.91 1960.93 72841.73 211826.35 114448.7 118394.19 183649.5 185673.82 159375.15 103140.14 227245.64 106599.81 73495.06 137892.65 153004.09 183739.5 124811.95 22270.04 148593.92 106663.72 106143.21 97730.82 151990.08 192961.54 130143.73 149064.43 181836.18 304958.25 155272.49 360332.82 76929.18 107091.38 166198.65 154196.58 58156.91 89064.79 68996.31 60172.3 117591.97 556.5 171324.78 75862.48 82524.64 85910.18 132912.24 89464.37 161751.52 151036.33 234888.87 129428.08 88114.6 116894.9 164440.04 73092.05 159746.3 133483.53 136568.43 136537.83 136606.69 139646.43 139595.94 139559.11 153276.19 140398.19 Arg-Phe 6905.7 5193.35 3692.61 1883.9 3455.15 9250.93 3604.47 15265.48 17140.23 11579.31 6389.33 5114.69 2578.39 4444.41 8047.37 3725.26 3269.03 5799.97 7435 10490.27 6333.94 2074.8 5579.26 4370.14 14879.27 6403.82 3579.71 6442.51 6880.52 7549.39 11098.79 8377.82 10922.78 2021.46 5895.21 2378.23 2190.84 2295.98 5643.49 1484.6 15457.06 12895.37 5622.49 4495.79 6590.47 3713.57 11999.27 8038.59 3315.46 4828.49 1991.65 3719.06 3984.78 2731.04 1837.51 6238.7 872.45 2798.26 9449.35 8370.91 3333.61 4708.82 3477.16 3689.81 1030.87 15932.36 12192.46 4583.45 6734.17 1668.89 6512.63 4265.5 1603.11 2292.61 1467.02 4952.41 4363.54 4928.37 4406.61 4638.47 4915.13 4531.75 4995.09 4931.88 Phenylalanyl-alanyl-lysine 81706.44 62990.57 21804.66 157736.82 369542.4 211521.82 57670.17 80081.6 50195.11 42563.53 28125.68 53945.44 139824.91 41936.1 68840.91 87005.74 50203.64 59027.32 70662.04 41865.31 50538.88 31782.24 17538.85 56524.17 101011.61 41795.16 15132.02 39815.54 51175.15 4511.23 31875.45 34094.2 27013.24 7229.25 37635.67 119227.86 73036.52 13969.99 12286.51 61758.3 216483.29 85441.65 31798.34 64774.09 36818.53 127951.18 76853.62 69365.72 4230.95 37796.46 16804.87 29949.5 20446.85 30265.56 167169.17 87390.64 51588.96 52233.62 70007.71 93611.26 49193.01 32773.8 52465.44 29492.67 56613.66 100342.64 39896.41 67398.71 91428.05 107594.86 39923.07 72030.94 16579.2 20103.76 46978.96 49001.2 33602.53 51401.39 49068.45 44133.54 26741.48 49622.84 48204.22 55301.51 Prostaglandin f1alpha 80949.89 3586.37 3464.5 3389.8 5252.2 9682.69 13648.97 31501.12 4535.39 7318.16 3005.13 26061.74 66384.32 19561.39 18749.08 26240.24 1965.59 15357.08 59924.68 18775.35 685.94 707.11 20432.17 4213.58 21885.29 2076.65 419.13 2136.99 25062.95 13674.69 1932.65 2601.73 23193.06 16680.72 9605.08 28495.29 16546.3 10221.76 20026.92 6104.09 9639.21 25899.74 13544.34 5058.18 17437.13 6203.92 14709.4 19849.73 69493.44 76347.22 35139.7 52803.48 46135.23 14081.67 13722.37 9079.97 34233.61 1810.51 13746.3 3412.4 17975.91 44804.88 56640.31 10428.34 6171.97 17315.35 8657.64 12539 5097.47 28348.92 10911.46 9323.02 11699.47 6132.96 18408.71 18421.49 17998.91 18401.63 18800.59 18487.17 18474.98 18586.58 18420.48 18404.93 Heliotrine 1875.32 6682.53 1163.51 10332.83 2757.55 2963.91 3627.66 3557.54 3897.38 2547.27 5468.25 3672.68 12093.03 7685.79 6935.81 4336.24 2993.41 11672.96 5704.33 6072.96 2345.12 1998.62 2539.2 2915.48 780.37 2289.81 1495.89 5514.35 2791.38 3000.99 8423.5 21050.51 359.88 4001.03 2306.78 3539.92 2031.75 6418.57 2311.61 1826.35 5009.57 6379.47 2590.93 6985.42 8426.49 5509.8 1886.88 2966.11 6463.47 10500.68 3932.02 6401.95 8431.09 8657 1265.15 9581.39 903.59 2775.42 837.63 1474.25 1335.46 921.51 1663.67 1482.44 955.96 2300.24 9399.24 2661.8 4124.26 2342.63 1178.91 3041.57 1994 1766.24 2876.88 4758.82 4868.53 4828.05 5004.97 4103.39 5017.3 5320.7 4870.69 4997.31 Tilorone hydrochloride 6969.29 1681.8 11684.09 5679.2 15808.35 7539.52 5540.27 4143.4 1748.39 8135.66 1086.65 5076.03 6057.61 3879.26 5407.67 15638.61 2034.43 4975.52 5670.74 7044.98 7371.66 3498.27 13003.86 6055.54 10412.22 7089.92 1223.03 3352.82 3964.16 1208.06 2535.9 15306.89 1183.92 3733.32 3982.12 7517.84 3898.27 1611.55 1466.69 6303.85 6918.27 13382.4 2351.96 3582.59 20661.19 6866.24 8710.54 4343.9 3600.43 4964 5292.42 4489.31 4259.97 10088.58 2362.99 8017.13 5638.85 1817.81 7094.85 3312.51 3213.2 3321.69 11583.55 2126.92 3471.33 12446.25 5374.48 3815.09 4703.8 5163.84 1986.96 3839.73 2651.36 5830.13 8515.76 5077.76 4926.65 4968.97 4828.23 4744.71 4982.53 4148.2 4548.88 5149.39 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 1613.1 1449.59 2514.45 3975.18 2597.05 4249.29 19596.27 1727.2 908 851.98 512.94 270.37 10313.05 2100.43 1299.95 4272.4 1925.22 247.3 1257.27 547.06 1276.26 4039.2 603.69 831.37 992.91 1499.03 1650.97 868.48 1389.63 1605.68 1340.68 3779.13 1136.86 13654.73 3176.75 1947.5 1787.73 2527.01 1181.55 1480.27 3164.83 2673.39 1535.38 1171.24 2390.64 49053.44 1773.01 1098.35 3216.86 10581.9 3423.4 2236.84 1274.49 4397.35 655.19 1430.54 1196.74 552.13 1481.75 1001.12 1059.53 4680.92 1303.58 1033.41 721.86 6138.85 3438.44 1374.8 1150.3 1261.94 1268.69 1569.33 1117.64 6982.79 44395.22 4357.83 4692.59 4652.85 4581.07 4657.7 4576 4502.72 4597.31 4573.09 4-Oxo-4-(pyridin-3-yl)butanal 8746.4 12733.12 700.55 8417.08 18030.37 13188.18 10791.41 10840.64 6482.79 17492.66 6941.97 19492.87 733.17 7976.17 14770.91 1835.88 8428.54 11439.02 17239.23 1867.78 3284.8 9669.39 10363.72 16323.37 19892.6 2102.73 21312.79 9120.47 20256.87 1002.47 2383.86 11446.78 10323.22 4706.35 11117.26 21048.18 10670.49 8955.3 4834.96 10920.61 5970.78 6861.66 9790.49 5442.91 12081.5 18434.69 11466.69 9748.35 39004.36 11019.18 9325.1 9174.81 11844.69 11470.12 7774.71 14785.48 4027.22 2502.6 9531.67 9539.16 9672.32 4155.31 7642.77 7030.96 4761.47 17594.07 12363 40847.17 7129.57 11525.98 5956.85 11819.6 3601.83 5738.91 5706.05 9786.85 9718.87 8573.21 9722.68 9466.43 9440.65 9468.13 9562.01 9734.81 Nalorphine 39984.42 46345.08 6891.68 7115.38 51254.54 32535.94 13441.49 46391.17 48446.15 27992.81 13010.58 15594.4 5890.59 22103.79 40865 29445.5 22313.5 37588.06 26746.37 42590.75 42900.3 23557.94 7308.44 16058.36 43225.21 54874.57 22661.14 17976.34 38068.51 8476.94 44257.79 35162.1 34391.27 20377.22 20315.38 34659.44 40076.46 187069.16 18951.39 21878.8 23420.13 16250.46 23490.19 18187.47 35697.09 14450.15 39318.62 24038.07 18447.11 29081.32 27619.05 36124.55 21714.24 18237.28 19430.64 37202.06 12044.34 15737.28 41734.02 28278.61 6034.64 4394.15 37448.54 8124.72 21193.67 27229.63 53287.94 4775.52 17978.87 27985.92 36541.89 10070.54 6604.16 9847.56 7712.84 26342.01 27478.19 28216.3 28173.47 27462 28223.48 28101.01 29540.78 27690.55 7alpha-Hydroxytestosterone 1885.07 1112.24 2003.15 18395.59 95841.16 29556.4 34716.12 2847.79 1471.25 1120.48 1398.1 1030.87 13685.22 1283.53 1628.78 8236.45 3249.85 1285.34 2162.33 894.02 1722.03 509.74 1211.75 2600.77 1634.87 694.63 3626.39 1544.06 1544.73 827.96 939.08 2833.47 406.21 1930.81 2481.94 2344.54 2284.29 1554.33 2752.39 3034.53 22418.32 8414.06 1615.55 2706.34 3212.42 20273.75 1716.75 1907.65 404.41 2909.45 2897.48 1393.94 6035.97 4836.06 17715.5 2277.64 2848.67 2045.64 2646.62 10924.97 2420.66 3534.12 3118.5 2434.39 1241.62 5446.33 1523.69 2493.89 2344.26 1306.21 1034.79 2857.15 1387.31 2988.51 5930.76 11118.51 10473.18 11117.82 10859.26 10610.91 10614.56 10740.6 11547.66 11121.33 Butyrylcholine 1415.33 1566.63 766.11 2208 3853.17 9459.21 7011.8 1877.57 1758.37 1708.53 596.43 1892.01 2085.81 878.46 1797.29 10568.43 1118.63 922.98 1444.25 2370.98 1674.71 1386.79 601.71 702.07 1827.21 1756.31 1493.65 923.48 2903.06 1121.2 2308.34 3524.64 816.58 1998.26 3117.37 2060.34 1488.99 1058.72 1351.61 668.3 4363.04 4757.08 1422.96 618.26 2408.11 4923.03 2301.04 1204.27 1825.16 7040.31 2123.23 2085.28 2105.57 7107.19 869.42 1631.13 1025.28 1508.57 1696.35 2209.58 806.67 1132.57 1895.64 915.6 486.04 3168.2 2195.41 877.3 1021.33 1439.45 805.68 1400.87 1218.82 2336.12 2863.76 2406.75 2320.21 2220.95 2266.58 2319.16 1900.38 2317.16 2305.82 2260.34 Trans-Zeatin 2167.95 1270.15 10505.43 1451.44 2454.43 1147.66 1558.11 706.5 970.74 1459.6 1590.67 456 443.16 2159.15 628.36 1263.12 717.52 2240.05 2223.84 3771.64 521.68 1277.54 1459.13 4352.95 2469.12 2441.19 775.73 2839.55 822.44 328.13 2295.21 3033.39 4927.25 4834.77 1109.38 447.66 2728.18 446.85 1284.89 1205.92 2467.78 2913.86 998.37 613.29 3802.39 1861.9 2331.47 599.5 1694.86 1780.73 2788.34 2199.17 952.52 596.06 709.85 8172.71 16497.27 11279.25 3118.67 3049.51 379.14 414.16 638.56 10907.74 819.06 1386.29 662.2 444.3 2842.93 1782.01 3600.78 469.89 793.82 352.52 1043 2075.29 2220.81 1846.97 2107.9 2120.68 1957.4 1866.17 888.35 2356.98 Prosapogenin A 474.43 495.71 197.81 179.26 25961.25 3521.93 1437.93 9581.28 3150.95 1701.71 1253.76 1812.96 2485 443.76 706.6 7612.05 528.32 11862.47 13464.07 13916.45 8330.03 449.95 316.17 715.99 1255.04 1143.85 604.68 1106.15 11599.93 9371.11 429.52 58145.07 5931.9 586.16 1005.31 4781.53 2252.82 815.45 717.11 714.8 6475.93 2058.81 1532.19 604.82 7165.34 243.11 5791.32 3866.22 16391.1 15883.15 2182.91 519.7 938.5 869.38 1281.06 702.11 282.56 665.76 16396.06 226.93 369.67 875.25 724.28 822.82 1518.01 1820.36 1291.15 962.03 729.45 3732.23 2613.44 1105.24 7133.37 12389.3 5666.85 5315.74 5331.51 5322.79 5374.91 4199.13 5355.58 4890.83 4666.92 4107.18 Tiotropium 1656.92 4899.68 7742.36 12446.26 1347.71 1961.54 2839.7 1051.95 1305.06 923.17 1999.23 536.34 4107.29 2361.21 1201.03 2421.9 3121.49 1160.61 723.11 1704.03 828.08 2945.5 1880.67 3904.77 1058.8 429.52 1281.68 1207.37 1397.61 541.39 755.37 529.82 1659.74 3815.88 1733.58 1609.78 861.79 1948 2219.36 1145.05 2059.08 1190.58 2974.45 3595.86 924.55 3578.88 1180.22 1843.54 847.33 577.29 660.7 7537.01 2562.46 2113.18 2262.62 2115.45 8608.67 6713.18 474.47 2962.8 5835.41 5832.5 1940.35 972.21 640.68 1325.04 1781.88 4592.39 725.67 1037.19 586.65 5078.45 635.03 1062.47 2383.02 2284.9 1606.91 2246.09 2222.24 2558.68 2138.48 2285.97 2296.64 2224.18 4-Hydroxynonenal 10755.56 9580.28 7508.82 8264.15 11356.73 12752.45 12489.24 11796.86 11290.32 11665.92 9944.17 9902.44 11622.99 9967.67 10118.74 11369.01 7166.64 9789.32 13682.96 7216.69 9950.07 7825.99 8096.2 9131.49 10833.83 10801.11 9308.25 10223.99 12332.28 3306.86 10179.43 14657.11 5243.8 11321.18 9865.4 10937.28 8932.77 9792 9354.95 8853.08 7699.12 15014.6 10064.65 8100.41 13707.72 9982.26 12557.43 9941.41 9448.41 14591.08 10227.18 11199.48 10843.62 12082.46 7386.33 10022.57 6177.04 7439.41 8271.61 7138.08 7554.92 7027.85 7951.2 8748.64 7022.6 10377.54 5843.68 8621.93 9142.57 9705.96 10022.55 10554.31 8783.74 9668.52 11974.33 9678.39 9747.9 9587.86 9625.78 9702.18 9691.04 9685.9 9701.29 9623.59 Firefly luciferin 155514.3 170928.14 159940.98 183140.55 91842.4 132861.99 157113.51 119998.55 122768.32 149328.24 134197.24 93116.34 107382.6 164308.05 134018.33 128362.99 155611.05 101156.8 118122.88 135699.59 110749.95 127215.14 130344.09 181883.21 127198.83 145331.18 179096.01 172774.38 116947.65 188342.25 115840.4 102044.16 114113.57 169196.93 184079.41 133881.91 144828.66 173471.86 192980.88 196151.02 136158.59 103172.16 188218.36 194261.69 113051.11 144564.36 124868.86 161305.5 131329.86 109447.08 116915.7 146085.18 160881.49 164991.16 124577.5 152276.41 185006.01 207760.84 129495.11 170959.95 193151.64 182116.33 153953.78 182138.51 150765.76 115350.49 152637.63 162431.67 173642.35 133216.87 148725.08 155494.05 166942.32 162069.6 170044.9 89988.7 71735.05 84778.52 85370.5 85112.14 87800.88 87770.99 85750.79 89358.96 92908.62 78955.77 90532.34 93074.97 87846.02 86349.27 70753.97 93356.32 94251.6 86284.97 89295.21 89720.85 89365.77 91111.79 95770.92 87347.84 136817.27 137056.12 136930.05 136812.68 136812.34 137268.67 137263.96 137874.39 137197.88 Dehydrodiferulic dilactone 3472.39 8980 423.24 1660.46 1534.12 4761.51 693.75 1839.94 12700.05 6358.4 1372.84 1495.33 1135.09 1190.03 2700.36 1497.13 1696.71 2086.48 1403.94 2559.9 2270.26 7001.03 1378.57 652.84 1013.74 24551.04 1719.45 1381.09 1285.5 1936.26 2274.63 2415.59 2491.8 590.8 548.62 2234.28 1846.49 10978.89 691.47 2402.15 5825.57 5189.5 2407.35 1103.37 3769.43 2333.38 2264.09 2519.35 1719.32 3690.35 1483.91 2390.01 644.69 1707.19 2470.94 14630.22 451.59 622.07 1612.84 3959.18 453.88 3137.79 5932.09 1943.19 2429.9 2770.75 9340.58 2575.1 2422.51 3975.81 6100.35 5000.66 3429.5 2475.24 2913.78 5370.11 3437.85 5727.86 5443.42 5842.65 2631.46 4121.47 1784.34 11034.22 1423.54 2501.68 2345.3 2627.26 1595.47 1743.16 2447.54 1184.03 4314.62 5882.94 19408.64 9523.09 8110.23 12149.23 21374.6 3946.68 3527.69 3636.96 3598.89 3515.2 3502.63 3610.79 3642.63 3267.84 GcNeu 1360.87 3453.65 492.5 7847.28 2350.31 3046.69 1026.23 1015.18 3448.63 996.35 763.52 2287.57 1116.22 2757.16 3720.79 7765.46 2222.35 1977.8 3012.84 1555.3 1209.74 702.99 2170.71 2418.84 1753.16 599.83 2077.91 2980.57 479.51 2206.19 1947.38 3997.94 1069.27 2581.48 1080.3 1309.48 808.42 873.33 1361.42 4156.43 654.69 910.94 1377.24 2519.46 944.89 5633.77 980.65 2076.03 2217.97 768 3263.63 474.53 2787.48 6657.15 9852.46 1967.35 1546.55 3464.21 4679.61 8523.08 2389.83 1392.49 3034.76 10453.13 1964 7182.88 2225.18 2625.47 1213.74 732.3 767.79 930.17 1901.11 5176.41 6528.9 2506.13 2478.39 2529.22 2490.1 2521.96 2391.99 2516.35 2398.9 2158.92 Cephaeline 4007.31 6206.82 4391.9 2076.94 19106.72 18535.41 4837.81 8184.26 5761.49 8084.45 10273.45 7696.62 6164.06 1866.46 2805.65 3581.72 1497.61 7518.98 6143.14 5435.08 9239.45 7091.86 2214.7 1315.89 6665.24 8296.35 4079.17 5885.05 2761.6 989.65 11233.09 5125.92 3629.02 6246.42 6291.16 3206.11 5143.34 5567.02 5408.39 5154.36 5243.64 13148.53 4783.52 7808.76 1470.36 24995.86 3964.01 5184.31 4026.47 6648.08 3741.98 10112.42 11043.23 6539.92 3836.03 9141.56 2488.5 3106.74 5131.27 6058.83 4408.83 4646.18 6211.31 7001.63 1680.36 6169.8 3417.86 4791.98 2372.37 4114.17 4968.82 6407.26 6211.53 6114.34 5862.69 6119.55 6090.51 6551.39 5313.79 6468.56 6456.08 4823.09 6800.46 6971.15 2,2'-Dihydroxy-4',6'-dimethoxychalcone 4345.42 4933.83 2071.31 2933.91 1233.01 4717.59 5428.88 5229.29 1813.62 6089.9 7272.83 5347.25 2644.65 6200.62 5219.39 1391.74 5830.92 6362.17 2234.29 1361.75 5372.56 6321.98 3618.84 4594.94 2673.41 3863.1 2826.1 5960.69 2459.97 6866.33 6402.29 3380.9 4156 3781.49 5779.35 2806.35 4216.54 7429.73 4214.51 5395.93 5531.35 3448.07 4594.32 6827.95 2763.21 4182.83 1287.44 3317.1 3201.48 4494.72 3389.64 5345.19 4547.45 4371.93 4990.41 4162.04 5520.84 5295.03 4998.3 7522.91 5038.89 6569.91 3603.14 3989.8 5868.37 4355.37 6058.04 6876.2 6747.44 1616.41 6815.25 3606.6 6061.98 3914.39 4496.91 3531.86 3377.19 2382.72 3434.62 3378.17 3467.66 3399.78 3541.18 3533.21 Verbenalin 23503.4 23117.69 6733.69 16464.05 23327.12 5444.01 18191.7 19810.08 25972.8 19246.42 16728.77 2840.21 14048.95 13124.98 23657.35 20479.72 22181.37 16192.48 2973.72 29285.61 16679.53 11316.95 14352.81 6118.71 21164.75 21670.94 19003.49 19553.43 25667.92 19687.31 14744.25 1804.49 17298.92 20763.27 17667.35 20204.48 23871.2 24073.79 17719.34 22193.49 24259.38 13294.93 18132.02 16263.15 20050.21 19237.3 24419.61 16957.65 23279.19 15762.68 24618.86 23153.7 17060.31 21734.36 21809.1 19497.06 16058.55 20516.14 19723.99 18022.05 15733.27 19004.22 23174.52 21094.35 12823.71 22588.94 23966.11 17110.16 15987.23 27947.06 22936.81 18858.98 19743.86 18064.17 18346.65 20200.54 21023.93 19951.33 18935.87 20246.87 20257.11 19954.27 20255.36 19904.77 Avocadyne 100741.31 72844.56 10488.96 23650.15 90872.86 21551.93 21532.59 67996.12 59590.18 23355.88 18069.87 58344.21 136774.91 132229.17 72134.68 31122.32 54082.57 80709 71878.7 5161.24 58819.96 29672.9 12304.69 68484.11 93373.56 48499.85 63716.88 50717.51 52468.58 43586.52 49703.04 114238.72 8979.11 14497.7 29248.43 104631.2 74326.41 11618.69 20812.13 23988.58 104591.63 116767.06 44361.56 98301.47 87089.68 12729.25 74100.51 20162.14 26472.25 91388.89 39691.42 30652.46 19161.77 47034.42 126492.21 46932.47 23155.59 24937.1 54015.85 19380.84 72293.44 23047.12 53204.31 23635.29 13047.95 102272.19 120148.62 219017.72 251093.52 82326.88 39589.14 59023.93 27798.25 30356.77 35145.91 46428.43 48807.59 47787.86 47202.25 47452.79 47300.11 47803.17 47806.91 47287.59 Eletriptan 481.76 16679.09 4270.65 434.25 2261.2 6790.03 1116.47 1505.26 1877.32 636.62 4989.55 1817.38 999.74 4295.99 3739.52 528.7 404.18 747.71 2169.07 1060.72 9008.42 3233.42 315 745.41 3690.39 817.64 3044.75 2623.74 4390.8 346.5 1444.19 786.75 16949.11 3044.11 771.14 1580.41 1416.66 7209.59 502.39 5263.35 2867.84 946.62 2085.59 843.74 1253.12 1487.16 14849.2 8631.91 2028.7 10955.11 3524.73 595.5 3688.75 560.1 676.21 13488.04 2965.86 2889.17 10803.1 9418.45 3228.02 2039.95 2287.72 8318.96 8171.42 2004.21 12150.86 3777.21 616.25 8327.58 32503.86 6541.75 800.64 9176.57 1954.52 7512.34 7267.5 7529.17 7355.53 8347.11 7542.84 7343.72 7394.99 7080.66 Arg-Trp 1893.35 2436.46 2171.56 827.79 1767.93 1716.65 404.78 3410.6 4721.15 5983.06 1255.99 2263.72 3040.41 2225.75 10861.07 4928.97 1171.82 6841.75 4199.65 5463.98 1589.52 18401.09 2448.29 2976.76 4012.1 10652.69 3093.41 5591.18 4196.95 2578.51 2424.92 3894.66 3505.64 1155.64 1134.68 4422.9 7760.64 1659.38 837.42 2101.43 3043.14 3688.69 2055.05 1547.46 1756.66 2012.69 2237.1 2574.53 812.12 892.16 3845.41 1155.52 2165.76 2152.16 2513.81 951.13 2473.73 2002.03 2232.55 1046.2 575.43 707.92 2608.05 5539.36 3059 1505 2443.49 468.19 479.26 3952.75 7452.16 1957.99 1928.04 6112.11 682.45 3214.48 3105.05 2964.14 3443.95 2873.08 2822.68 2482.15 2545.18 2970.48 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 687.89 8285.32 5573.23 1919.43 2884.69 14059.19 3969.47 7047.53 3181.02 3732.56 5993.14 5089.76 2795.16 1283.56 5554.23 869.21 5145.85 9013.44 391.38 8435.6 3273.5 4547.57 766.66 4591.24 4553.64 7490.85 5261.88 6461.62 1385.2 8579.29 7523.41 4541.49 3497.59 5770.64 4936.86 5414.1 4865.48 7500.08 5404.93 5560.1 749.83 6445.36 5742.99 6331.82 8130.59 868.67 5297.51 6841.07 6040.92 6903.83 9096.42 7767.06 8138.41 7300.44 5442.93 7033.65 4899.98 4996.91 5721.69 2588.53 4934.84 5158.19 4158.13 5394.33 5590.83 6513.42 7767.09 6433.25 3387.51 4595.24 6535.8 5864.4 4856.3 8471.65 5609.38 4045.86 5751.01 4399.88 4371.69 6110.62 4900.63 3405.21 3760.15 4231.49 704.03 932.97 2414.64 1212.93 3842.87 1028.12 2712.51 829.28 10423.24 4108.62 2127.07 3970.13 818.32 1227.3 4897.79 13575.77 6871.13 6877.4 7028.73 6890.89 7413.48 6596.41 7316.93 7074.5 7096.15 Coproporphyrin III 11551.26 11454.37 11816.82 11521.44 20907.61 23134.39 9403.62 11446.35 19978.39 12038.12 9068.56 8558.44 17976.78 8118.47 16645.46 16952.74 2900.82 23448.95 14807.54 809.8 17046.75 11144.45 7324.75 8266.86 14976.43 17894.34 7748.31 7817.16 13077.71 5746.2 16477.63 21418.24 491.77 19186.24 14737.94 3008.16 22528.98 17323.27 12239.75 11472.67 9081.53 16317.76 10119.22 8801.61 17457.11 8634.58 10940.21 22415.17 14696.54 16431.92 21333.99 16384.86 16175.63 12911.49 14990.78 15221.92 22111.2 7337.79 22962.09 12618.45 11498.2 5901.26 20087.09 18087.11 12184.98 17052.67 15942.65 8340.52 5911.05 15397.54 9118.93 13026.72 23905.8 14567.04 18564.69 16784.49 16914.14 16061.29 17455.33 17003.7 16093.26 15589.41 16812.15 16063.17 Murrangatin 12772.05 34969.66 706.19 1442.05 34184.74 34948.28 87777.94 21799.1 36870.24 49784.85 69655.06 68207.16 95201.32 67894.24 30666.27 83715.97 83031.9 22401.51 82593.63 35160.69 33149.13 23527.09 53442.79 80065.42 3870.83 33325.59 91469.34 61831.49 35935.19 94842.03 24754.02 78261.4 21545 82674.15 86939.89 31987.31 15739.58 30955.88 73255.91 74469.55 42116 4349.72 83435.88 68777.46 31316.46 73985.97 41794.52 73666.98 57626.71 95785.33 26547.94 27042.19 67416.17 101536.07 8335.73 31238.95 46675.03 44069.23 28274.67 23462.01 62300.45 60396.94 26617.16 80444.07 60077.67 26019.59 41367.59 92976.61 79354.05 28628.48 30015.89 68012.35 60134.04 90416.36 86985.15 53265.02 53257.32 53576.11 52927.52 53260.66 52898.95 53579.37 52596.11 52928.69 Dubinidine 18677.85 41749.65 2130.59 6388.66 11992.07 10856.32 5792.42 28505.9 33425.3 18557.97 7080.97 16276.23 4988.34 7531.6 26897.61 9165.42 3659.97 33204.34 22414.35 46685.93 25929.86 10056.45 6675.36 8512.97 32452 29541.8 4732.41 5650.14 28641.63 3861.91 39236.2 24534.45 21178.79 6289.5 4651 28887.47 24807.58 12483.99 4973.67 8744.55 30576.36 44410.5 26631.84 4066.89 36467.74 3728.3 39405.17 20393.27 6293.87 28531.56 8446.21 30229.12 7948.94 3934.77 11239.43 20996.6 5393.16 3507.05 27555.31 448.17 2576.6 4487.58 3949.01 10234.73 10659.89 21374.28 32581.06 7537.32 9788.88 29605.4 37760.67 20941.96 8855 6004.6 7920.87 17073.77 17254.37 17200.83 15756.26 16768.59 16669.87 17221.11 17351.81 16633.67 L-Histidine beta-naphthylamide 634.4 9490.76 4757.95 3655.62 9537.37 16652.64 6773.1 8510.58 7664.76 5608.86 3928.15 5535.22 7055.1 6088.34 12573.94 8257.06 3961.84 11361.73 6873.97 8221.01 5378.98 6753.04 2499.16 4263.66 7063.62 10711.03 5496.69 2063.32 6926.03 1345.07 2493.09 5836.55 5612.06 4342.04 5142.99 3213.63 6800.35 12036.21 3804.7 4742.93 2780.33 11774.91 8210.61 3183.1 5438.9 7327.6 7761.34 4716.62 2400.88 7033.94 5618.55 10948.47 5604.42 6992.69 5149.55 9907.86 3550.75 4986.36 8544.8 10409.82 3673.7 4316.39 5275.43 5326.39 5658.88 5752.35 5673.52 5591.52 4278.63 6282.35 8119.57 7408.92 4209.73 9139.61 6566.03 40061.61 49472.38 29356.41 39019.29 40637.44 41610.4 47401.71 37636.26 22343.35 25362.61 34460.19 43419.6 38377.72 46979.62 36121.1 29420.89 25430.49 38762.91 31044.66 44816.04 28317.8 27212.65 32336.55 24075.48 22811.59 7426.83 7289.25 7498.38 6399.34 6999.87 7698.66 7430.7 7345.08 7002 Arg-Leu 1696.36 1715.13 956.34 783.61 6585.4 1490.48 2418.01 5141.39 6792.12 6356.96 603.87 2201.04 2612.5 1733.04 6696.17 2955.63 1444.69 3449.81 3832.31 5136.43 723.87 675.4 1784.66 1795.11 3896.09 8805.69 2631.32 2820.27 5524.49 895.32 404.12 792.33 4462.2 2136.62 896.3 2047.92 2213.43 2489.64 1474.96 5000.81 454.14 1877.35 4487.09 2730.04 1952.44 3153.57 3174.89 3815.8 1937.99 2507.45 4984.6 978.27 4445.15 4726.06 2104.34 661.08 2240.64 2877.32 3657.69 1365.78 2448.59 1356.16 4815.43 6985.02 5765.94 4100.54 3121.98 1291.7 734.25 3617.8 6164.77 926.93 2846.33 6580.19 1913.14 4658.81 4275.88 3839.97 3977.76 4559.17 4876.89 4649.77 4651.91 3278.49 Butyl oleate 5413.14 3940.16 569.36 4960.25 6579.17 15640.27 3397.83 5585.65 8531.73 442.02 1484.42 1412.02 3794.2 27967.69 3583.72 2931.57 3301.71 2740.92 609.61 453.12 3922.18 20539.51 2187.49 1774.92 6679.41 8928.65 1364.65 2940.23 6806.87 4849.1 6506.31 8459.17 3811.47 1387.19 1077.99 1561.82 5987.68 850.94 667.23 576.9 5639.22 20381.13 2449.35 620.03 770.99 2431.86 20274 4538.87 681.1 6750.27 18904.77 4199.85 765.72 2728.78 7065.39 3593.97 1194.45 738.64 830.24 885.31 1544.83 764.63 1368.32 1145.04 1228.3 876.24 9288.57 569.11 679.22 774.29 594.35 2663.73 2734.33 1977.9 2476.62 3364.13 3457.17 3457.67 3457.62 3375.38 3413.34 3456.41 3214.41 3381.09 Fluvoxamine 17796.62 21182.5 22133.76 44289.14 147415.63 83201.29 87593.61 16826.53 25485.6 22547.29 18599.53 30032.73 78164.33 15132.63 27629.89 74855.28 26154.85 18222.49 33993.75 36682.95 24286.68 39705.82 15753.41 20878.74 18116.62 30795.99 21860.95 7965.42 36731.52 29762.84 19114.7 58532.32 31420.7 28023.58 29197.55 19387.91 3537.16 23880.23 19963.65 15407.73 36706.64 41120.27 19920.68 13264.07 36015.21 53426.03 26311.77 23104.34 48484.54 73501.71 21609.65 21486.63 21805.04 52281.06 26039.78 37042.55 20223.55 11755.33 27686.55 73402.94 20262.86 24217.94 26100.33 17360.46 13540.8 36730.3 33333.61 20327.52 17328.96 13472.43 20483.16 27783.67 18031.56 33625.64 52843.4 38483.47 37716.59 37579.28 38609.78 38415.04 37629.02 37586.94 35325.41 38444.99 9-Dihydro-13-acetylbaccatin III 6090.13 20535.44 1894.46 989.45 9473.91 21516.23 1659.89 9711.16 17023.94 11862.12 6025.09 4508.84 1977.81 3339.58 7596.7 5428.85 549.57 14186.06 7018.55 33352.3 12441.17 3297.91 1762.07 8704.6 6926.46 8804.58 5882.5 3880.96 3147.39 1981.87 4956.46 2189.16 6497.29 6455.89 940.77 3822.62 16381.76 2329.01 1927.57 4201.66 8177.48 5237.34 3844.75 3612.59 1456.02 6158.49 8138.63 1307.52 2560.92 2767.15 3579.37 35020.18 2028.54 1978.56 10088.77 11595.95 2480.36 1746.72 26240.27 1803.6 5388.77 2232.57 5300.04 5633.25 1169.69 2354.71 19093.87 1038.12 5072.69 12026.38 5722.73 19035.11 1675.72 2098.61 1591.97 4003.44 6024.39 3763.84 4190.53 3947.43 3920.16 4116.77 3903.28 3950.73 4099.39 3354.44 3899.56 4187.68 4332.02 4152.03 4221.2 4252.43 4026.91 4112.2 4157.03 3778.25 4231.83 3863.53 4163.27 4383.86 5597.59 6129.97 6152.37 5092.07 5857.74 6260.99 5377.57 7387.48 5884.52 Germine 282.46 1280.97 507.16 461.58 43995.12 1020.32 1103.54 197.25 539.72 705.78 506.12 369.12 2302.41 484.25 533.5 286.95 796.59 885.88 607.96 403.51 756.1 796.86 415.94 467.62 680.4 1250.64 588.07 364.34 493.63 361.39 692.92 840.61 322.17 264.56 581.02 1131.53 841.99 682.85 134.55 982.46 890.85 810.99 251.71 421.11 719.16 644.38 397.26 193.45 237.75 492.08 688.22 743.44 730.57 1171.84 449.77 226.07 165.37 226.94 591.65 3642.5 353.56 168.21 498.58 1349.49 482.92 211.02 1155.75 265.92 443.93 942.92 610.86 391.89 570.73 298.08 253.87 2317.25 2402.65 2463.32 2188.16 2276.39 1772.99 2402.15 2426.04 2257.46 Phenelzine 1974.16 3046.02 3243.7 4013.35 4163.79 5254.16 10765.1 3459.78 3381.43 2502.14 1434.08 6123.7 2758.47 1836.31 4380.23 3899.26 1953.01 3273.14 4618.41 2471.88 2035.02 4187.42 2845.89 2804.27 3085.18 3346.98 3429.15 2993 3011.27 593.78 3269.42 4226.68 747.39 4583.93 2358.16 4059.28 1951.99 963.2 2285.69 2465.82 1171.92 4088.74 1758.12 2791.14 4089.55 9495.79 2438.21 3578.81 3545.42 3214.06 6812.29 2751.37 1901.14 8360.29 2457.68 3015.28 3308.53 1656.4 2728.89 6692.62 1239.55 1931.22 3443.3 2157.35 2478.64 3694.61 3265.6 1330.03 1695.86 1578.99 3175.3 2413.57 1065.55 4950.21 3895.86 3135.67 2979.97 3127.83 3156.2 2213.05 3142.85 3231.18 2999.52 3027.88 1,2-Didecanoyl-sn-glycero-3-phosphocholine 16481.75 21198.36 12505.98 15545.5 19651 20585.14 11619.63 10317.36 12315.99 14004.58 10295.48 14451.46 25903.9 17086.4 14013.38 14454.16 14696.1 17551.22 16641.8 17258.53 15402.77 14316.29 13348.09 9275.92 12168.2 20787.88 11538.48 13836.87 21177.54 21610.17 16586.65 20646.27 16476.07 18811.39 13464.37 19649.84 16857.16 25175.65 13211.79 16218.62 17828.02 17986.81 11203.41 12988.07 17569.93 3562.45 16417.64 14036.97 18149.61 19879.21 14832.26 16539.36 10735.49 14294 12699.49 14587.1 12760.54 9043.85 12338.67 12832.79 13303.95 10976.51 12607.43 12489.47 9890.94 13389.13 19798.45 11132.86 10919.13 11517.84 12235.84 12318.58 10566.58 13701.07 12404.42 14830.56 14835.08 15539.32 14893.53 14975.59 14850.55 14829.82 14974.88 14872.86 Val-Phe 3761.61 3839.07 517.94 12699.3 4566.84 1914.31 7960.46 1616.15 16736.69 8870.73 6303.56 2089.66 5654.49 2048.56 7420.19 2440.12 3715.57 4368.26 18110.96 4114.01 3666.93 5434.87 5574.96 2240.28 3638.34 7358.65 1844.57 1057.6 4014.13 1831.27 3410.04 4778.69 4321.43 10983.62 8391.76 4554.84 2174.49 11507.97 5357.27 10714.3 3073.83 1003.07 23436.63 6385.44 8441.55 8984.5 8406.99 12676.74 3030.98 3672.23 5757.28 10656.34 6313.59 7402.01 3437.92 15730.61 7792.81 4836.48 4593.41 2230.84 6286.66 1995.39 5608.4 9998.3 12213.19 7852.43 19910.73 2234.81 1614.06 3559.49 8075.23 3976.8 7610.75 13568.45 8444.85 9445.43 9041.24 8983.14 9338.39 9344.43 8953.48 9340.32 8814.81 9388.83 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol 6027.84 13866.47 11456.78 10522.5 6462.97 11096.75 2797.13 10918.18 6414.31 10130.84 11576.05 7419.07 4667.05 9360.09 8851.43 8624.11 12794.94 12770.84 12494.65 11168.69 10367 7638.87 8457.58 7958.67 7060.84 8024.92 8012.35 11037.76 8315.49 7327.72 8200.12 9658.63 9136.72 11419.37 9319.5 8369.49 9114.85 8030.29 12216.83 7833.75 6974.63 7109.25 12026.5 10206.48 8495.81 2686.91 2623.26 9438.31 4760.09 7817.76 1119.35 11057.9 6886.82 2471.42 7299.57 2952.2 12789.73 18866.13 9485.59 8378.99 14157.26 1032.2 5410.96 9366.35 12361.53 6798.94 12168.66 11739.16 3704.34 2635.56 10797.11 13604.16 7318.2 7426.08 7642.74 4649.01 3913.08 5396.66 6207.37 4697.82 5347.41 3177.28 5122.1 5354.87 Desmethylescitalopram 8984.41 1719.45 1515.72 2627.18 2623.39 1844.78 8086.28 7031.97 4547.22 7726.46 13303.17 7274.56 2754.43 18993.73 9899.04 1233 1390.29 2472.37 6161.93 1582.43 15967.08 721.46 1625.53 13727.57 412.73 3920.57 1360.1 14907.28 10164.46 10896.19 2628.48 13476.41 3018.8 14696.94 11116.08 4822.86 11681.31 447 12830.48 6269.75 9458.57 11486.86 12532.22 13310.2 4403.4 11552.17 7227.28 13304.55 15058.2 13071.92 10357.24 6660.11 14373.13 13254.22 3235.72 4873.2 4691.57 2444.97 6776.52 627.66 6987.38 6328.28 4758.71 6056.23 6004.09 5583.09 12812.56 10893.35 13644.03 7450.78 7339.93 5359.76 10780.49 1220.82 10071.28 11389.96 11142.77 12606.01 11042.54 11044.3 11455.1 9701.24 11888.16 11478.78 11-dehydro-TXB3 14310.28 21704.39 23785.12 20394.64 11584.83 23003.83 4104.65 17204.09 14891.74 20567.13 26984.67 30633.05 30656.62 9773.78 8290.65 29146.49 13014.6 24469.54 43749.49 15076.52 14541.19 6968.5 20054.99 24157.81 23804.24 10361.95 21683.57 27105.6 10843.44 13686.96 11914.08 49740.12 1889.61 9548.92 26930.6 23368.32 19155.02 8889.85 20166.56 4812.61 20877.26 17354.64 28877.12 13768.67 15132.82 22359.53 14879.9 27142.14 27599.99 32704.78 6830.99 12739.7 29235.15 10625.78 6333.08 23748.72 4535.68 15242.86 17929.97 12108.27 17659.86 17469.59 11742.29 22993.7 21086.23 19471.89 21446.13 20169.38 9498.41 11579.1 11361.06 23525.96 1973.98 35729.49 27909.8 20451.4 20102.65 20373.89 19701.97 21812.5 19690.44 19602.03 18689.1 20473.87 N-Stearoyl Taurine 3411.55 3213.91 3309.35 3101.92 3113.46 4939.39 2791.12 1041.31 8469.25 4112 2213.71 2933.32 3703.37 3456.25 3628.67 3365.91 3087.49 4522.71 3607.94 3533.7 1119.98 557.85 3768.03 738.73 2530 3094.99 3580.66 3304.5 3984.08 3374.96 4609.33 1595.36 3739.07 3092.26 2597.81 3756.37 2723.02 5231.17 3995.62 4468.78 2354.21 5058.14 2830.79 3173.53 3243.65 1080.59 4614.38 3849.19 2303.3 3597.69 4133.86 3176.53 3796.29 3258.03 3540.99 2906.83 2222.65 3075.53 3091.73 3766.72 4120.32 3179.69 3271.81 3467.41 3627.95 2955.59 3843.14 3698.43 3402.62 4097.95 4958.24 3136.57 4640.75 3321.44 4357.25 3451 3463.34 3223.72 3312.05 3314.43 3182.05 3224.24 3314.62 3219.25 Palmitic monoisopropanolamide, (R)- 5185.07 9435.27 5898.61 11052.07 11672.06 15508 6054.8 4126.72 7647.51 3389.77 4200.41 4374.05 17341.21 10632.45 18210.81 13606.09 20835.37 10124.91 17899.32 14373.88 8285.36 8978.96 4012.02 5469.32 3729.42 7164.59 3468.37 5071.67 8115.33 5354.53 4801.75 16093.05 7034.26 11071.77 7490.45 3720 4549.21 7477.43 2974.88 11475.13 13305.61 15029.29 8610.19 6938.23 7276.47 17133.76 6930.37 13403.3 5870.01 31317.86 6368.62 6934.34 8200.07 16255.66 8855.42 16822.85 8740.16 7123.35 3808.62 7459.55 8966.01 3142.54 10454.32 5618.01 5697.93 13960.73 19228.78 5189.9 7979.65 5758.66 6097.42 4497.61 4464.88 21332.05 14268.58 10884.01 10943.99 11090.4 10889.95 10970.74 11743.21 11090.76 11352.29 10288.12 (8)-Gingerol 2334.32 3228.98 851.14 61773.4 263381.8 113579.18 124394.85 3108.06 3150.01 880.53 1427.24 1550.77 40831.43 1473.39 5579.7 17972.86 868.33 3384.03 4711.47 3796.76 4829.59 1841.39 509.33 1762.76 6431.8 4568.02 8343.74 1635.66 5935.72 966.45 1848.13 6478.5 1392.51 2459.79 2109.84 3363.89 2292.34 1383.69 617.56 5276.43 83811.33 31702.95 1506.08 2787.23 878.27 66596.35 3757.77 4796.68 9855.67 4298.58 3485.76 1284.46 1728.1 10171.41 42561.56 2452.9 2245.02 1984.55 2913.42 13806.93 1947.02 3203.79 3919.1 2668.45 975 11073.25 2587.18 2153.67 3827.55 3884.13 2322.96 2174.58 6365.04 2155.46 14418.23 25872.99 25387.75 25590.36 25589.57 24866.45 25390.21 25184.07 25389.38 25629.05 Naloxone 1352.72 3126.28 992.81 373.08 1562.05 2656.88 443.72 794.48 8796.28 763.08 1469.52 1343.93 773.08 1021.24 895.64 1518.9 713.68 5254.08 2710.52 6374.67 1349.5 1681.95 1373.23 1043.44 1433.32 772.33 1662.76 466.41 1294.89 2431.9 2228.16 1052.11 909.19 1038.87 825.92 880.51 1397.16 3217.9 1077.47 12846.35 2840.34 4327.35 2038.96 908.66 1407.4 1502.76 2098.24 1182.12 1077.81 1790.41 1085.65 1798.86 3269.11 1002.45 1570.22 748.91 824.97 828.68 404.43 3173.73 1454.93 962.51 694.58 639.27 2005.63 689.67 2879.91 1330.69 1003.03 559.82 537.75 1190.13 837.36 899.91 992.2 1698.62 1922.89 1851.04 1917.11 1801.37 1883.62 1684.04 2329.04 1473.47 Dimoxystrobin 15707.19 15565.63 22230.25 15872.51 27176.04 19494.33 39174.89 28044.8 26673.17 25239.67 30005.96 34502.13 31270.85 28662.75 22364.57 51134.2 23334.67 18210.05 43041.35 23454.24 24096.94 20474.23 23250.16 33471.01 22897.74 14589.94 30750.42 34481.36 21329.89 19392.99 21466.15 53641.29 10528.57 36837.44 28858.27 19253.02 19510.89 12695.34 23824.69 24222.55 17627.1 30975.54 35147.17 18844.43 16135.2 24969.39 21911.94 31194.98 27432.27 56747.22 22719.08 20519.99 29046.77 38890.29 13205.33 18754.76 21365.77 15255.08 17582.35 8250.28 22298.8 20945.36 16061.2 34172.22 23773.78 22886.77 25951.05 28065.9 8985.38 18938.74 17257.62 27385.49 28694.06 37042.9 34987.12 27316.26 27795.87 27669.28 27409.62 27479.12 27678.18 27320.01 27335.5 27315.2 Reversine 1785.32 1941.82 1782.59 3533.16 1974.03 1630.86 4223.96 654.34 2401.47 880.18 6383.92 836.35 1622.12 2424.31 2473.62 1569.19 1123.31 623.62 2082.07 1716.12 1777.06 3795.89 2109.93 4770.73 1749.85 6833.98 4002.11 698.91 3415.45 2587.37 2595.32 481.98 3298.5 1317.1 1810.11 2747.83 1469.57 7556.94 2082.75 5769.19 3245.3 2419.18 1732.61 1523.47 4801.43 1246.19 3909.65 2636.71 2831.27 3774.93 1078.45 3782.24 2589.67 4096.92 1469.03 3632.14 712.86 2613.18 4120.59 4995.51 1530.39 1513.2 4472.03 3529.77 5797.94 1029.14 1936.17 2957.93 2227.7 909.76 3127.28 1429.64 1715.21 10281.14 3456.85 2924.78 2479.53 2613.27 2561.4 2797.32 2769.35 2607.3 2748.98 2750.95 O-Decanoyl-L-carnitine 80.97 82.03 122.15 2336.34 12405.75 11170.83 17652.07 177.11 170.1 81.51 106.24 220.09 314.91 99.7 57.05 201.9 86.87 60.18 121.26 97.51 198.64 85.28 73.61 63.01 121.99 54.05 161.34 149.23 131.8 59.26 131.14 106.47 124.29 39.45 54.86 155.15 132.72 387.27 90.42 52.07 3448.59 456.99 184.13 80.32 43.3 752.16 156.14 52.7 245.86 44.56 274.44 79.13 281.4 245.02 877.37 127.28 123.34 50.98 72.74 460.12 269.1 209.82 136.5 286.25 53.42 437.35 168.04 208.7 75.61 60.23 72.89 56.66 49.34 397.82 610.7 2574.24 1430.86 2886.01 1417.74 2745.48 1883.44 1675.43 2173.62 2050.12 1950.65 3838.86 1608.89 2021.05 1881.31 2164.64 6037.54 3227.69 1814.92 3827.67 1859.72 2999.63 3376.25 58397.11 2023.45 2646.79 2166.97 2203.29 2152.76 2139.39 2162.14 2152.99 2156.47 2167.07 2166.38 Pinane Thromboxane A2 332468.05 307661.39 156587.48 255603.38 120958.87 155479.35 155994.06 293088.28 290472.32 365526.3 293281.17 238176.56 206975.89 358352.43 303354.68 231888.53 298707.58 293378.36 210177.91 290207.12 221650.4 291283.09 154840.2 292794.11 240759.08 334438.61 342075.03 334025.15 182465.41 320944.19 276915.68 251820.19 168818.56 251673.56 300782.46 242948.99 315040.29 385874.91 347054.93 418590.02 285985.19 286693.15 313274.94 397373.07 297285.5 261994.73 273299.2 246923.23 179547.63 259404.87 268351.93 241852.31 258364.65 266345.58 216283.56 314510.2 282394.42 363519.98 295864.33 385839.94 333193.93 366945.82 237028.6 204659.25 244809.32 284430.67 355176.77 338657.69 387004.63 257534.57 357030.19 343042.41 312138.22 281370.23 301614.16 252396.79 253647.71 254635.39 253073.86 253654.24 252461.54 252456.46 252487.06 253916.88 6-(2-Prop-2-ynoxyphenyl)hexanoic acid 517979.85 264935.37 67755.24 81979.01 314865.74 201241.07 123935.65 584258.75 594597.98 432346.15 134944.53 255562.96 152353.5 184683.8 297868.11 227856.49 134729.18 329303.27 341627.33 350155.43 399669.35 130359.95 112832.23 123424.94 520019.57 443361.28 252199.34 362774.83 600929.44 296165.65 532523.9 368910.77 239052.79 143240.21 111240.04 556063.62 364223.29 202116.34 177987.35 202418.32 482451.27 646182.01 123660.25 136744.61 528055.39 188084.64 550034.08 234438.66 484967.87 444980.53 357085.31 184394.15 115896.49 158159.75 312475.48 197226.55 54592.73 58449.96 303775.74 108457.44 85555.81 95073.35 178474.12 135932.41 173063.15 357176.31 241295.68 297985.67 307315.76 402812.79 475325.81 303455.25 247619.87 133885.38 149251.22 17232.84 30203.34 18391.53 18261.11 19526.04 18024.63 17768.16 17384.97 19675.14 17046.01 16734.74 17024.44 17411.56 17832.41 18646.78 16475.82 17328.48 18378.57 17228.63 17382.35 17729.13 17412.3 17628.3 17636.45 17856.29 311153.9 312731.95 312736.42 314563.02 311564.67 311554.76 312743.9 313414.83 310914.73 Dexamisole 2191.02 2640.84 1788.06 652.3 1869.77 3342.31 775.16 1885.97 823.31 737.77 2221.26 2733.86 1633.71 2141.49 2756.53 2580.97 2340.92 2598.06 2164.8 3385.54 3301.95 590.16 1693.52 1538.87 1211.68 2028.74 1247.57 2548.31 1493.13 2887.04 3337.97 2701.2 2356.15 1761.32 2051.48 1722.94 1669 736.92 2117.04 1118.42 2412.52 2582.38 4230.67 1202.01 1385.22 2025.5 3412.84 2030.27 3585.49 4095.02 2572.75 1380.49 1081.1 1048.26 1948.7 2467.47 1179.79 1584.59 2097.71 1441.75 1816.02 1546.72 1492.61 1677.21 2150.6 2786.26 2161.85 1635.86 2266.07 3031.3 3088.91 2419.25 2706.58 1314.42 1345.57 1861.1 1797.83 1752.93 1864.89 1682.33 1715.7 1799.03 1663.82 2406.45 3-Formylsalicylic acid 32940.22 38602.81 34849.15 39913.35 25200.93 25306.68 24555.58 33098.11 31610.46 34953.58 23476.99 22693.97 21215.15 33415.6 28804.62 31230.33 28495.35 28749.37 28382 26891.12 26504.88 21317.91 26416.5 33216.76 33373.29 36946.01 33119.08 31734.91 30999.08 40532.89 30266.3 31676.84 26143.89 32644.81 33929.23 32244.87 34618.6 36895.19 32621.84 36643.25 33072.31 36680.74 33722.18 38721.42 29307.68 28219.52 30428.85 31058.23 29572.3 28927.73 28163.1 34841.46 30200.96 30146.05 30428.51 33925.47 51070.91 34820.48 30228.2 37250.87 36022.98 31588.99 32325.48 35306.13 29109.32 29987.99 30140.15 33029.93 34560.96 32047.77 33017.84 36537.03 45994.95 35234.98 35393.15 29631.74 43500.89 31902.15 29312.41 27609.55 27574.84 28617.14 27137.15 27600.37 27254.24 32790.49 27802.29 27231.73 27732.25 27347.5 28008.39 36651.26 27089.17 33462.44 27638.7 26873.35 27048.73 26350.5 26830.1 26616.84 31901.88 31778.66 31963.35 31903.95 31777.16 31868.87 31690.66 31826.87 31785.95 Ophiobolin A 257.04 7499.65 1360.4 37148.43 275499.89 99602.88 100399.51 6007.47 316.01 174.94 639.18 462.6 19175.85 344.61 405.64 16534.28 3507.06 255.25 1366.65 785.68 1635.86 580.42 5272.27 2088.82 4803.9 801.97 5329.27 547.5 990.1 319.58 377.47 825.4 303.12 9595.49 6236.99 3044.16 328.1 1900.27 114.02 5194.8 105111.32 11873.46 91.05 267.15 5539.79 7011.12 1317.55 13721.04 11238.45 229.65 388.1 9013.28 198.93 2526.02 6597.77 6815.65 101.51 375.92 4242.64 20522.13 8450.69 5083.43 10905.36 12523.39 235.74 4459.43 3606.07 4388.32 408.99 198.53 2682.44 958.88 7323.05 9203.99 5473.29 23913.26 23951.51 23829.97 23494.96 23705.6 23954.2 23784.3 24426.16 24067.58 Indole 3-Ethanol 4357.54 6145.05 8331.77 7876 11761.15 17818.67 13963.18 7498.51 7514.14 13005.56 7805.58 7361.84 10035.81 8964.14 24872.31 15528.42 10139.26 541.29 10905.19 8368.42 5983.7 10520.35 6817.41 10972 1803.15 18528.67 11101.59 765.26 3074.98 504.47 2312.96 2204.45 12339.77 13289.35 12043.02 4784.58 2328.47 16456.83 11867.75 5764.15 2808.14 3813.64 12796.64 7789.61 3202.17 9339.07 4937.1 13466.49 8541.2 3643.64 2247.59 12296.79 6162.8 14717.5 3183.82 13356.09 4763.48 8911.98 2279.09 13843.21 9932.12 6706.55 10681.85 12007.42 7537.44 3596.08 9261.39 8792.8 10009.06 3102.43 3161.43 12250.62 3301.58 13615.14 10552.28 9272.52 9273.96 9398.36 9399.33 9286.92 9399.01 9398.32 9332.11 8708.56 Antazoline 12516.02 7134.4 2597.44 2719.03 11290.67 7592.45 2705.17 1952.78 10042.57 10166.28 4434.21 8576.66 10593.62 6864.69 10170.49 7193.69 5069.77 8384.11 7240.42 14091.07 13022.78 4292.33 2501.39 3941.3 12416.91 8448.12 6805.78 8146.28 16151.34 7934.72 13065.79 6882.36 7305.49 4723.45 5403.6 13461.16 10981.48 4934.51 5074.14 5922.36 13403.67 17403.56 6104.78 4360.42 10323.46 2923.66 13102.15 10528.6 8972.23 11178.08 10025.73 7315.4 4483.59 9156.08 9289.22 7068.78 2363.05 2517.62 9743.17 6039.58 4819.66 2235.99 7602.45 5648.41 4322.82 11454.63 11744.24 8185.05 6697.48 9250.71 13535.85 7289.92 6554.67 4028.57 6782.98 8471.07 8788.8 8136.4 8428.67 8179.64 8499.16 8186.31 7974.31 8455.66 Arthonioic acid 1358.99 1086.49 2985.66 3607.92 2188.44 2390.05 6651.92 2743.01 1625.28 3278.07 6566.97 8463.72 1931.35 3086.57 1480.22 9249.08 3736.97 1449.91 9440.28 2739 1117.62 1500.68 1715.12 3099.85 1500.49 2293.12 3135.6 9134.81 2294.39 1282.7 1647.84 4574 957.63 8307.05 6581.61 3208.34 1399.72 939.9 8540.35 7031.59 1335.6 1645.26 10343.93 3502.24 1432.05 8131.21 3162.71 9470.77 4653.12 4399.55 1706.86 2519.99 6548.66 4997.59 4084.61 1381.26 4865.53 2991.74 1236.68 2700.33 4082.59 4504.31 846.2 5240.6 3693.86 2080.99 1550.32 2520.92 5519.8 2767.07 3731.12 14330.67 4361.63 7285.47 9970.07 2400.24 3519.81 3712.18 3556.84 3794.66 3793.94 3790.35 4201.69 3494.79 Angiotensin IV 577.74 637.12 3816.83 5323.21 994.98 14179.03 10434.9 11671.57 14755.95 9935.76 6386.24 2781.24 1710.32 606.56 12383.24 8287.78 698.61 429.9 8219.08 1080.24 14116.73 479.9 9750.01 6169.15 1083.76 9688.51 5895.54 11006.37 14397.89 698.14 10355.69 7768.14 444.02 7848.4 5697.41 20312.79 9517.19 9766.15 5125.49 4038.84 15397.44 14180.4 6550.93 3956.35 11729.39 4812.44 28260.76 11443.87 11577.42 17780.24 9056.9 10891.5 6665.12 6813.06 7451.58 9905.84 4600.79 3698.3 7982.85 5779.49 5090.6 2667.72 7204.21 6501.72 3559.47 11295.7 12891.91 4883.58 5207.03 8898.3 9911.73 8957.79 5587.12 8060.46 5567.66 10357.83 10564.25 10245.33 10361.39 10278.03 10306.31 10316.27 10368.62 10400.03 Palmitoleoyl Ethanolamide 17632.46 26894.89 42290.17 24860.54 59078 103442.29 28136.87 24986.46 15714.45 6489.79 12270.54 13611.79 25941.51 18568.89 62709.1 66716.52 87270.97 42566.45 38894.88 37340.53 26995.28 50477.56 4942.83 30627.94 23643.89 4091.14 3798.89 14063.88 50956.81 9508.76 17406.61 35552.66 58572.84 26145.58 33478.05 26828.1 25699.99 21682.12 8064.47 25244.18 28882.64 38761.64 23029.92 18333.5 21608.89 20211.83 25635.89 83422.65 11473.14 39319.07 22112.27 20181.62 16989.67 25204.94 50632.91 32618.17 71943.92 38985.59 68078.09 52933.6 15060.01 28534.51 26426.85 33201.13 39731.71 21711.07 30262.3 23600.51 12686.38 30492.31 35253.05 8117.86 16684.56 88550.69 35391.35 35995.1 35978.54 35864.92 35667.1 35668.14 35605.63 35991.66 37080.56 35975.34 Coenzyme Q4 16709.86 20889.66 7370.42 7107.34 24338.18 42260.77 5725.96 18238.57 31117.93 22707.56 11143.78 14981.09 11024.18 12015.47 26661.09 21730.3 6220.33 54181.52 46044.8 57972.09 31504.31 17010.68 9885.05 4538.21 12749.05 19284.53 6601.02 7202.37 22367.67 7007.42 36103.97 20575.93 16569.63 12438.37 6219.52 22011.72 20088.07 19538.72 8153.56 8945.85 17107.1 46766.37 11885.53 9212.22 50410.39 1801.38 38651.99 12859.05 6850.59 28437.33 29246.63 31341.34 13437.28 16796.66 19178.52 34721.11 3330.81 9025.26 12645.61 11182.79 6450.24 6313.78 26729.04 16597.77 10573.01 39418.84 54469.95 11700.79 8536.24 19334.25 23111.13 17571.84 10063.57 17474.43 18488.35 21506.56 24431.74 24984.08 24419.32 24483.72 24670 24957.72 25441.25 24411.73 2',3'-Dideoxyinosine 2599.45 1484.89 1033.57 3807.39 3409.94 2644.66 2279.22 6382.34 489.53 2677.91 2093.63 5614.07 2717.22 2809.14 2991.57 6204.44 2189.06 5329.12 9272.56 12297.49 5714.37 2676.3 1767.47 4565.42 3194.45 3234.07 2867.08 9814.56 8104.21 5097.94 6996.21 10229.55 3148.93 2454.71 2042.31 5586.69 2853.84 2353.68 4017.61 3304.22 6266.55 4858.1 4465.72 2136.6 7423.43 4924.55 8711.64 8443.32 6741.01 11209.23 2509.2 2416.53 3091.73 2198.53 1401.31 2118.91 788 875.37 5170.91 1778.24 722.47 852.46 1855.46 3202 1818.73 3274.58 2678.26 3526.65 3371.67 4519.44 5109.15 3651.24 5388.55 2271.63 3314.04 4134.55 4139.62 4180.11 4443.45 4276.91 4283.67 4086.3 3691.09 4209.6 Seneciphylline 5502.68 22651.93 12262.58 12387.01 8415.72 20306.13 3311.77 2684.83 3959.05 2821.6 2734.18 3005.08 6657.03 566.72 12284.1 1922.68 7365.16 7437.29 21806.72 11863.94 4161.03 8728.45 7511.2 528.27 577.09 1678.09 436 695.39 11993.8 1356.24 1766.95 5865.5 5546.29 10341.57 9456.93 3199.79 5503.26 3056.84 295.97 6635.66 6102.05 724.61 18197.91 5145.58 4615.34 1772.77 30076.89 22357.16 8895.48 4396.57 393.51 20587.35 13156.43 4829.64 5911.45 12977.58 6555.24 6570.31 14449.25 4975.57 801.41 13380.58 10039.3 13765.55 11948.17 2629.56 20726.47 933.41 3201.13 4093.35 13950.79 540.61 7568.97 11740.6 4131.3 2160.56 1884.82 1648.37 2084.73 1691.62 1713.1 2256.52 1810.18 1941.17 1768.26 1486.69 1960.68 2012.68 2069.16 1683.61 1570.88 1899.16 1994.93 2065.89 2111.37 1905.83 1878.27 2012.7 1901.66 1993.99 11410.24 12085.38 11597.76 11056.05 12165.96 11774.88 11402.81 12269.18 14199.62 N-[(3S)-Tetrahydro-2-oxo-3-furanyl]hexadecanamide 1716.1 1379.65 2659.11 2612.5 5080.3 5508.12 869.28 1897.17 2030.5 4615.6 4274.52 2102.31 4072.45 2501.92 1800.29 6663.17 7102.14 3503.42 2508.39 773.83 2727.73 4477.85 5202.97 1629.94 1103.64 1939.97 606.15 1180.09 1833.5 759.85 528.05 722.12 2568.14 7390.98 3256.41 773.02 1490.82 5625.2 2409.39 4783.78 5697 1518.46 1367.89 3524.48 1483.39 985.4 893.97 899.52 736.41 3536.31 590.96 1744.36 796.06 6272.78 3466.67 3745.35 1811.62 2224.73 513.35 2044.73 4445.89 4427.18 631.49 2014.84 497.67 2450.5 2196.82 798.62 2986.44 777.67 626.9 1725.2 643.06 2909.1 2582.89 2310.09 2548.68 1957.63 2535.24 3020.4 2532.21 2443.46 2423.46 2521.82 Okadaic acid 4879.59 4861.17 26881.46 604.83 1850.32 5884.41 2105.18 16046.13 23336.27 17479.26 16890.85 596.72 917.94 400.25 1058.55 997.31 7387.05 1909.36 469.29 3787.9 1205.05 3633.96 7941.7 618 4509.19 1388.42 613.57 12008.13 1060.09 725.8 791.02 8210.62 1379.69 13641.71 10778.62 13749.2 16017.46 8175.03 13433.12 10648.96 7100.73 17175.07 11334.57 5915.2 16706.78 10626.06 12249.64 10040.29 13248.53 7576.54 20241.57 9542.19 9940.78 10900.14 9142.03 10879.09 8723.71 4827.71 7793.5 3627.34 8770.38 12038.22 14361.56 13020.3 4595.18 14958.56 3715.14 14148.7 10340.48 16825.33 16357.48 14590.77 3707.15 3417.95 10622.62 14721.99 14564.33 13941.08 14497.78 12508.42 16084.78 13067.44 11150.03 12104.95 11942.71 7383.53 10199.17 10853.35 10632.15 10579.92 8833.99 12293.2 9816.04 10155.7 10476.84 9281.53 10262.38 10081.49 9676.34 9936.5 12632.42 12883.98 12638.9 12405.54 11988.94 12514.58 12414.29 12394.34 12559.32 Thioetheramide PC 2448.03 530.66 1778.88 1396.96 2558.08 468.99 1976.76 1825.68 2968.24 666.79 1776.26 1911.58 825.15 1868.75 769.57 1307.95 2933.85 1429.73 777.42 759.2 1928.28 1692.09 2544.96 1827.14 661.47 1586.59 794.12 1557.87 703.46 1722.74 1132.37 1627.49 1573.4 6090.06 4547.47 3638.82 6275.85 3114.56 9577.89 11898.54 3725.61 2492.36 3174.26 3545.26 1815.73 2891.8 7501.48 3763.4 838.41 2285.49 1187.82 4111.27 2989.09 2432.22 6426.86 3786.13 5800.85 4186.46 2683.85 10012.4 3551.66 5401.37 3439.1 4092.52 2401.55 2287.48 3001.81 3701.2 8245.19 3117.44 2793.95 3876.42 3222.3 1982.91 1300.98 38880.85 59335.05 35387.57 36949.91 44171.75 57146.64 76282.29 51706.8 68539.88 52347.61 53481.89 35184.1 41864.59 44303.35 77260.92 3464.25 3368.71 3399.62 3498.46 3145.23 3486.3 3264.16 3250.84 2792.36 3,7-Dimethoxyflavone 15035.63 3238.7 627.16 1759.5 8592.92 5694.84 581.9 2818.87 14219.62 5095.68 1287.31 5196.17 2326.78 2984.43 7095.16 2962.42 672.71 7787.74 2297.48 21397.76 13206.38 607.84 4087.92 396.93 17184.49 5365.18 5576.09 9491.3 12805.99 20385.07 25748.78 4169.22 3100.11 2476.03 471.81 15566.92 2671.41 2357.61 2249.18 3185.88 25143.92 29858.75 1486.71 1267.43 17130.48 2604.17 18459.87 2320.87 2641.23 15736.86 10351.06 2029.78 2604.12 2212.79 4291.68 439.04 1089.34 339.8 4192.6 736.89 488 1662.45 2331.96 852.2 2513.1 7789.87 7973.82 1902.54 4277.17 9962.08 7075.51 2838.19 2805.93 1005.33 4634.57 4957.73 5558.26 5924.1 5803.74 5773.05 5822.54 5595.1 5710.41 5519.35 Pipenzolate bromide 2922.16 1195.72 1494.97 3831.41 1358.95 16575.51 2240.09 710.96 2534.69 1596.26 531.36 3510.06 657.89 1206.62 504.12 3534.83 595.2 855.55 4902.01 3049.03 2660.79 15815.61 2979.34 3748.63 2166.86 1651.8 4066.34 5795.79 726.12 2976.98 1984.17 4566.66 1273.06 3054.36 2154.3 611.52 2372.8 7385.5 1191.16 2067.92 2910.09 2164.2 4660.59 2129.04 2030.56 2157.21 2656.91 3982.63 1569.35 2499.22 1149.31 2446.62 3145.44 1760.45 2574.81 2456.76 5091.44 3792.91 619.4 20161.15 2986.43 5688.87 1710.91 4767.11 3600.88 1242.71 1134.27 555 1905.78 495.69 2069.77 3843.13 1587.29 6206.06 4841.14 3029.77 2845.7 2844.17 3017.09 3007.26 2905.31 2877.86 3050.39 3029.3 Ser-Ala 77052.78 25496.56 718.38 4584.72 79300.9 1761.88 19124.53 107125.63 53057.35 10404.89 13691.76 63736.44 24932.26 38535.06 24615.31 33644.65 4999.75 67929.02 44051.37 35364.57 70327.5 11408.49 2758.65 2433.02 114348.16 33155.56 1875.91 61859.32 92261.82 99515.32 136010.7 56931.09 3398.55 16069.5 1492.94 121768.76 57357.17 891.59 14745.68 32866.86 141596.8 101100.73 8815.83 16444.27 82093.18 16581.28 70040.6 30705.73 59021.59 58218.69 72823.42 19400.58 9908.42 962.28 58368.83 4728.75 6034.78 2378.6 45596.61 8870.34 9720.22 13251.09 18107.2 6346.77 5344.38 56313.76 26366.8 53937.23 54452.73 62245.75 26619.8 32531.37 49264.58 7740.19 16518.48 46766.18 45940.45 45929.61 45921.43 46915.08 47200.39 45935.59 46777.79 40392.85 Leukotriene B4 dimethylamide 5244.74 10032.36 8095.4 10124.93 5720.21 3029.72 9188.86 5702.17 6814.96 6591.83 4712.67 5723.69 3968.09 3445.21 7043.27 5356.92 2837.13 4605.7 6740.92 4500.76 6419.91 9603.13 6681.13 6333.31 4298.18 5687.38 6007.38 4689.44 9119.3 4937.54 4275.74 5988.05 5466.36 8577.19 8526.09 2856.16 9451.31 9318.9 7569.67 7407.95 7733.43 6868.7 7519.64 8455.59 6340.07 3576.53 5965.9 10805.35 2397.91 5672.08 4515.55 3882.87 5093.7 6455.62 4282.12 7749.46 10943.33 7100.03 8742.82 11552.41 6790.95 5578.17 3962.14 5190.71 4407.15 3591.21 5310.32 5729.33 5335.22 7282.82 8139.18 7575.06 7805.74 9066.94 5017.42 11508.84 9211.58 11923.46 10431.5 11387.64 10091.47 10981.1 11323.26 13757.86 7-Methoxyisoflavone 13548.69 7444.79 1279.68 2680.89 19350.02 5288.07 4953.45 18750.88 18072.77 10075.45 2681.7 5558.46 5386.89 7189.78 11218.34 6082.81 5872.74 13048.19 9322.43 17039.76 12855.52 3899.61 3120.7 5279.53 14191.94 11017.61 8026.02 9952.49 16936.75 16385.73 18282.23 8050.62 8722.84 3578.42 1972.11 26180.21 15210.49 6058.56 6554.82 7307 10406.02 15426.43 3815.56 5398.59 13533.84 6655.21 15000.01 8541.58 11992.66 11285.07 10646.5 6269.28 2344.34 3897.7 11572.22 6678.98 2088.09 1912.98 11364.08 4460.19 4074.57 2699.88 9343.67 5427.81 6730.08 11344.65 10693.11 9202.62 11616.92 13349.4 13849.88 7961.49 12788.67 5428.23 4963.49 9245.16 8301.16 9928.2 9302.89 8946.97 9285.29 9245.61 8232.73 9229.87 2,4-dichloro-N-propylbenzamide 6412.68 6439.41 2959.28 3643.84 10070.56 5859.04 10064.05 9246.48 3435.66 10585.21 8879.55 20331.36 10086.74 10854.18 11285.65 7569.3 4760.98 8513.22 16398.85 7450.53 3687.54 6266.9 8242.3 11965.37 10181.04 1522.54 10859.59 9363.8 12007.94 4819.63 6386.61 11006.39 8854.09 6843.67 8121.98 10013.63 6055.98 4774.93 8885.25 7260.32 3684.04 6294.96 11888.9 7203.42 9692.76 3178.02 13042.21 12304.37 11919.37 8495.87 7522.12 11758.36 7451.03 5823.99 6437.71 5117.35 2938.23 2534.97 6500.9 758.24 10072.07 12270.44 4295.95 2296.28 3257.53 12078.14 5353.19 11048.59 7465.12 5417.62 5368.94 13104.75 4257.22 4629.48 5025.39 7616.25 7682.24 7681.4 7617.55 7617.03 7660.58 7394.85 7643.48 7681.16 Hydrocortisone hemisuccinate 2812.01 12768.73 7916.67 12373.27 14957.15 14024.06 7185 13845.75 12480.79 14503.52 10949.04 6630.76 1408.12 17873.45 3851.47 3932.65 33767.62 5207.05 23646.65 2388.35 13317.91 11490.25 11329.9 13107.14 12731.57 14773.4 12509.4 14162.67 21446.18 13256.23 13659.73 31269.37 35915.13 14578.34 12595.24 18153.67 10731.79 12438.03 10954.42 9888.3 6855.48 29134.7 15363.77 12623.14 17430.38 18558.23 10141.55 15385.38 36987.69 28740.11 11027.77 16641.3 15343 19224.19 8339.48 17332.3 11368.9 6129.36 10805.62 4420.18 8199.51 4998.48 7856.85 8241.56 7272.16 15289.45 8476.31 13486.7 11269.62 11568.82 4446.67 15467.69 9942.59 9745.74 14874.75 13064.3 13289.28 11848.7 12942.9 13023.74 13681.04 13450.59 12988.15 13402.72 L-ribulose 13932.07 25307.09 11619.4 13991.49 2152.89 7112.88 14900.23 10837.99 13760.07 15026.69 16250.36 7324.89 12803.81 16593.43 20514.09 23018.66 24665.49 9569.22 8800.23 10206.85 5331.28 6776.34 10758.99 17115.37 12260.65 16819.98 11250.21 6688.43 9131.38 12905.37 3572.95 10077.11 10227.54 12615.91 12852.93 12813.91 18987.83 19447.88 17239.81 23368.88 5824.28 8227.23 27670.2 23593.66 15897.21 11341.76 12240.07 12340.64 7282.57 16262.88 14626.98 22419.68 14848.74 3893.2 22137.39 23575.79 37956.74 15639.95 11697.76 10660.1 23161.43 22479.8 24126.71 13841.66 6908.64 21392.2 9140.66 21042.03 20905.43 16047.47 26553.59 23554.81 24999.39 26477.69 27142.82 16607.96 15450.75 14996.69 15480.5 15486.54 15504.33 15520.33 14933.28 13355.99 13(S)-Hydroperoxylinolenic acid 157.31 178.14 3014.79 78836.08 123418.89 163553.6 204473.87 3162.98 1298.8 3181.47 2145.72 3879.02 42628.56 2308.88 1984.59 43232.07 3794 611.9 168.79 604.35 746.09 159.47 1065.73 968.47 2111.21 1484.57 3742.65 1457.53 345.22 1812 669.61 6386.97 421.48 11343.26 10852.4 804.34 818.27 9907.71 4764.73 1136.98 78960 10371.46 1879.53 2482.12 1745.03 58989.08 957.54 1529.73 762.32 15207.82 10614.72 3647.6 2616.25 8429.96 15688.62 1596.7 18930.54 2063.02 1673.29 17265.64 4251.46 11105.9 3965.16 3329.73 2447.11 9190.76 3334.07 1219.46 2573.16 882.41 1790.78 2783.18 3041.98 4747.04 9109.97 32198.12 32324.13 32481.45 32331.1 32266.24 32196.11 32077.2 32008.71 32325.55 Scopolamine N-oxide hydrobromide 9017.4 5217.89 1213.5 10029.02 9050.5 3968.5 3174.38 5707.86 7574.68 2486.13 7986.66 678.86 4362.87 3405.16 4606.2 3181.23 1233.54 1893.55 4317.3 5999.57 4165.95 3586.32 2285.26 2072.71 7175.61 7129.33 4450.3 7000.95 7538.15 6448.07 9802.81 3810.55 379.8 1913.4 6551.07 12421.36 7532.27 1695.76 3043.95 4058.66 14937.37 12898.33 2136.89 3102.27 8885.21 1374.05 7962.91 3473.59 3348.33 3598.77 5317.73 1330.46 1684.27 2363.45 5702.07 1945.06 602.62 1811.22 431.21 1063.66 1311.32 3535.63 1592.95 1357.69 3300.7 5690.58 6619.38 4398.55 4363.14 5105.44 10653.9 3368.38 4751.04 5860.45 2400.37 6795.48 7018.11 5539.29 6789.79 7024.59 6835.51 7124.98 6756.07 7042.27 Tranexamic acid 3552.08 1269.88 1023.87 1610.85 2979.46 2948.21 2572.89 3377.9 3231.24 2377.41 1298.06 1101.57 2109.11 864.55 1470.18 1280.37 1035.46 1500.99 3088.6 4159.56 2829.46 2176.49 782.01 1393.44 3539.79 2865.44 1309.63 4597.31 2934.66 835.58 3249.71 2837.55 1138.18 2264.23 1743.64 2856.23 2486.98 1775.17 1369.58 1025.34 3036.86 3753.77 1427.45 1279.97 2559.47 2069.27 3838.27 2143.89 2343.24 4100.41 1791.21 2187.56 1710.14 2383.18 1416.8 1773.68 762.68 796.83 3983.92 1169.06 1279.61 2010.2 1414.76 2096.79 1349.24 2694.04 3072.22 1173.79 1846.39 6015.35 1809 2056.08 1718.02 2021.69 2554.25 2111.09 2011.6 2120.62 2128.89 2268.33 2048.95 2034.43 2123.66 2079.89 Phenformin 35717.88 16844.06 15897.53 44224.79 114246.12 34939.16 31501.13 32741.19 25375.03 20747.17 17697.46 19440.59 21172.76 19264.66 19028.97 40142.55 17809.98 27972.54 30064.89 24016 47940.92 27650.71 13157.9 19645.35 35022.69 31143.86 26913.6 22092.37 47987.04 37828.6 28327.59 91827.3 22369.17 25223.24 25512.12 29526.14 26357.29 17358.58 31215.47 21613.02 25643.47 52849.06 22414.21 22057.75 37846.37 36258.81 23141.1 24067.97 66224.33 44483.85 37649.88 19053.16 24629.19 29116.91 36232.89 16944.45 13484.62 14527.06 41073.43 46953.82 15577.92 16713.65 21791.34 25146.29 11063.74 35352.72 13468.92 22612.98 19436.69 21135.27 23672.53 18585.41 19708.02 25125.19 23886.88 23196.09 23194.7 23173.78 23070.76 23194.92 23071.1 23195.85 23072.26 23070.87 Adenosine-5'-diphosphate 6699.8 4163.67 8373.4 12318.4 10677.22 8555.34 13567.66 7668.27 5603.28 8184.14 6029.18 8995.22 13149.32 12957.86 6505.97 10617.78 10613.81 7267.75 11818.9 7553.43 8458.69 12434.15 13495.1 12339.8 9517.8 5470.85 10587.05 9215.57 9798.66 10132.39 6431.66 18670.35 5463.67 14500.57 12457.07 8908.37 7439.12 4900 12240.49 5873.97 9516.86 10020.47 12969.77 13897.03 8221.28 12296.18 8364.4 9397.04 7070.61 9028.86 6854.87 6493.98 12830.17 12450.93 9975.21 7578.85 12336.13 13367.45 6711.22 7952.12 9563.56 12188.38 6078.17 14342 7218.4 8527.98 5476.92 8566.26 8639.69 8675.68 6685.53 14520.03 8066.25 10674.33 13593.38 11875.23 11679.41 11815.56 11602.96 12018.18 11822.75 11677.2 11250.04 11824.22 Isovalerophenone 3167.65 4700.24 6620.41 8649.25 5539.1 6933.79 13660.23 5399.2 5669.44 5731.94 6594.32 5310.25 9089.38 6401.73 5079.12 14232.7 6046.05 5210.19 9775.28 10606.27 4880.63 4104.89 4869.76 6692.93 4261.26 6058.81 6196.52 7264.6 5596.11 4632.89 4859.19 9458.5 3678.86 7529.94 7742.85 4012.93 4388.19 6219.92 10445.08 7331.25 6354.95 5958.21 8081.82 7384.28 8544.53 8004.78 5898.87 8064.4 5781.49 9623.62 4139.9 5305.78 8739.12 11957.65 4233.88 5527 7572.52 4050.4 4328.1 5291.38 4722.91 5512.44 4830.6 12812.28 6539.49 5144.73 6170.71 5739.81 7533.66 4503 5971.52 7407.09 8639.86 7275.96 7751.57 7643.96 7709.16 7649.72 7712.09 7494.85 7301.47 7425.32 7311.94 7302.91 Menthone 4358.93 4015.57 4080.03 3760.94 2510.3 3502.42 4767.7 6064.74 3965.87 4415.67 5298.91 3716.34 4110.77 4186.18 4188.12 4038.06 4223.35 3875.47 3212.58 4060.4 4643.24 3764.32 3281.85 4260.62 3619.37 3831.19 4097.85 3880.44 3730.69 4746.82 4429.62 3687.03 4220.78 4046.22 4066.29 3489.58 4787.3 4416.2 4220.08 4427.36 4312.87 3861.83 3666.45 4304.3 3949.97 4075.02 5347.72 3828.71 2190.29 4014.81 3973.51 4273.18 3665.56 3671.13 5355.07 4260.59 5025.02 4992.59 4405.26 5695.21 5337.71 5875.64 5613.18 6732.61 5476.7 5978.7 8353.01 5842.06 8754.09 4902.08 5285.41 5565.97 4884.84 4455.98 4905.64 4914.93 5115.72 5223.37 5067.63 5081.28 5777.34 4914.49 4604.3 5127.1 Glu-Thr-Tyr 5594.25 8727.7 1296.77 2683.96 4682.03 1324.02 2905.12 7020.67 15525.11 9677.68 6093.46 3819.1 11276.74 8754.3 6073.28 2576.81 4807.81 581.31 15751.02 5051.63 19050.39 10301.87 5550.21 4490.76 16192.64 8143.15 11101.53 7859.38 15413.32 3346.14 16744.37 12943.44 6828.81 8353.81 9982.58 16915.63 10203.91 10432.46 3771.53 6171.47 16793.08 17020.21 10683.14 6632.57 12019.32 7683.19 18119.64 9448.42 2916.41 11878.63 8522.12 12593.22 4152.22 8927.51 10231.72 6303.49 9361.92 8792.69 8626.85 7741.45 6062.76 7487.78 9927.15 2174.44 8810.99 14517.68 11420.94 2657.71 8068.78 16752.19 12429.32 5740.54 8109.9 5194.18 11712.47 11186.92 11931.44 11446.31 11405.11 11351.14 10321.87 11927.65 11925.93 11975.89 Lys-Pro-Arg 631.5 16328.09 11980.66 1414.68 8306.92 5912.51 19438.67 9530.72 18576.08 4666.6 12516.29 16242.45 4804.44 14823.25 7385.77 10223.75 6202.33 15770.54 22289.2 20743.18 5711.34 12298.01 10706.84 11270.8 3331.53 2578.77 1315.66 14509.45 24606.06 11620.86 17029.33 29578.59 12192.11 16695.49 11590.44 8046.13 14001.19 8981.97 7843.63 12186.51 10907.22 16997.99 10818.28 10960.2 19337.08 11651.22 6988.17 14497.58 16862.54 32956.96 13687.11 12119.15 12272.06 31460.13 8682.13 16308.23 5411.2 11175.48 10164.32 12573.96 8949.21 9761.22 6822.9 11372.98 7664.69 13171 19778.36 8722.79 17166.64 10735.62 14680.55 9901.1 12017.27 21207.94 12131.06 15118.16 14941.82 15046.74 16234.15 15248.63 13980.87 15400.61 15013.68 14925.63 Leukotriene B4-3-aminopropylamide 3570.09 1021.58 1130.3 20689.72 2095.43 8600.48 1493.23 147.85 927.12 1156.31 2060.57 1320.93 9984.59 1420.87 2265.12 7938.49 1273.64 657.86 2171.74 863.35 800.83 2139.18 1170.13 1389.3 1508.18 1719.55 1963.21 1513.82 1427.45 3562.74 1037.6 13029.81 1067.87 2288.72 5673 1998.1 697.46 932.83 1001.92 1518.01 7538.55 7620.62 1456.09 891.65 2382.32 66452.22 1102.8 1672.46 3042.65 7041.77 3910.96 748.63 1531.2 5918.66 1436.35 4112.69 499.85 534.13 825.36 618.36 533.87 1152.2 1336.78 1364.54 1986.92 8763.66 1963.2 594.73 1974.66 447.23 831.96 972.54 1300.43 8675.7 5251.94 5913.53 6177.35 6182.23 6046.48 6169.79 6100.35 6087.06 6133.98 6028.87 Zaprinast 37302.6 39081.63 13632.18 12661.12 29212.38 12977.9 17659.48 49740.56 64312.18 26126.12 19289.48 19819.12 16198.21 18075.36 43644.76 22925.39 16544.73 41597.55 28290.11 50333.5 16779.06 21272.59 11478.77 19137.32 44879.18 43416.28 19704.42 22022.56 31200.69 10942.43 46971.81 27846.52 28729.4 17586.07 17383 32314.02 42921.22 31943.04 15149.42 14718.11 36821.56 37547.47 17204.51 14091.41 34887.01 17440.46 34574.28 22871.72 15625.11 18565.74 28537.46 38975.64 20642.42 16299.57 21878.83 34902.77 12740.07 13029.52 45451.51 23936.98 12829.25 11274.7 31455.48 16245.65 21969.03 40359.67 60175.92 20876.13 18577.18 47378.07 35783.91 23448.18 15118.23 6257.82 22435.62 27929.03 27917.2 27906.15 27482.92 27906.95 26786.91 27485.1 27672.51 27456.98 Clomiphene 23794.84 6326.01 2163.85 2302.05 2356.5 548.64 12657.01 19802.68 34132.42 4006.76 4708.29 22942.78 9570.55 6626.59 14391.78 8756.67 552.08 15913.95 4720.44 8188.31 14034.99 4098.63 8310.35 5431.27 38135.19 27329.99 8812.46 4956.25 15044.57 17657.48 22802.34 21322.97 3251.22 12986.48 7040.41 12195.18 20026.54 1056 4465.58 14925 38665.58 53199.28 857.75 6596.06 14628.15 8403.9 5496.72 15689.08 6862.15 25587.35 39839.59 4120.01 2615.37 12344.87 20124.67 520.7 2034.64 2161.38 16969.98 3803.37 8653.24 3016.85 3770.75 534.68 4329.04 26711.91 7733.82 5915.49 3681.48 22454.46 21292.84 13253.15 7809.01 1548.63 5384.2 11656.78 11657.3 11656.59 11163.1 11779.49 11654.75 12218.36 11782.26 11780.64 11,12-Dimethoxydihydrokawain 12382.52 16416.98 24348.47 21738.62 5890.66 4094.03 13298.94 17619.5 23896.68 27135.89 26853.23 22290.31 24586.29 32807.95 14202.07 17663.12 15138.8 14451.93 21143.03 11973.96 11047.33 15439.39 29368.12 26279.34 14992.71 18898.92 25018.9 28235.74 12669.85 9001.1 9429.13 21350.87 9862.26 30614.48 24775.6 28415.26 14427.15 18176.35 32130.9 28336.43 1739.71 17854.61 28910.31 27832.54 12549.11 23642.2 10066.1 23684.16 18292.59 19048.91 15816.97 21630.06 28205.14 26240.44 14126.27 19434.62 24628.11 24609.22 12814.72 14342.83 24756.18 28358.02 13328.9 25691.44 16156.34 19603.91 6019.83 28776.53 24956 12986.01 12749.29 26339.95 20651.26 22462.94 25326.49 17915.71 17756.69 18322.2 17933.58 17905.34 18093.59 18210.93 19568.55 17916.18 17-phenyl trinor Prostaglandin F2 cyclopropyl amide 242886.67 94135.3 29744.58 8341.89 37527.49 52032.92 29727.47 57804.84 29535.3 19456.95 67169.48 76640.35 64039.55 55660.67 149919.1 32711.78 35451.61 118276.86 25064.9 112667.14 38822.24 33640.91 14499.39 25641.2 141153.56 130966.06 56167.06 90952.61 48093.33 17392.23 70619.08 29278.58 36331.62 35816.47 26986.18 76666.34 100552.95 28120.73 19642.06 52042.12 68129.04 159018.3 69089.66 153230.81 57140.3 40737.18 158970.16 94133.53 66714.25 55315.26 175500.79 77144.92 109064.11 70902.98 134915.45 76472.67 88060.6 81468.5 41202.02 60860.78 62699.77 26322.36 201721.13 24920.1 24940.8 162583.29 62980.16 63126.24 103337.78 81255.95 45561.66 21446.76 89600.07 83178.03 51365.68 18588.43 24513.63 26847.46 26749.59 28980.89 15548.21 5723.29 35279.13 23487.04 2832.75 1054.45 10053.97 5654.59 31974.64 5120.39 8841.25 6119.78 38886.35 9217.35 5845.89 17983.96 6575.55 9176.54 25697.54 32913.8 68284.71 69460.48 65953.06 68293.88 67921.05 67765.17 67767.46 67774.1 67919.61 Dipalmitoylphosphatidylserine 42955.86 60900.28 42573.71 46436.57 90006.43 82320.49 46030.08 33367.87 39722.62 39224.2 32687.51 53483.68 70219.06 72761.32 55142.98 58071.72 54447.99 79597.32 64625.03 71296.36 61448 50170.26 48310.73 27009.38 32020.89 63319.6 28650.68 38178.26 54255.45 60209.99 77130.52 115954.1 58413.83 71666.81 41784.28 66637.4 44727.86 85010.75 37599.63 45045.05 99729.41 93367.14 39421.63 45042.76 80228.37 33113.82 57216.48 54923.4 77166.89 120046.53 74788.1 78798.86 45137.2 69375.61 41591.39 60590 37481.43 27134.98 32178.25 35110.91 32732.8 32527.23 43214.46 36039.25 27611.04 53338.26 86728.98 37097.62 36370.51 33588.77 45471.61 40105.62 36533.35 69908.5 62874.67 58640.06 62235.53 63610 62308.14 61412.87 61575.9 61593.26 62612.04 61668.21 Thr-Lys 34442.98 32186.79 1127.31 14263.88 32421.29 39421.73 19860.19 40420.32 40527.52 7534.11 17075.31 17273.83 3948.84 8352.61 21342.78 10405.35 8361.45 10902.65 17697.16 18061.75 45467.39 13619.24 9542.58 14436.19 1408.11 45781.51 14901.32 19607.32 10537.54 10596.89 29760.76 14553.83 7704.58 20828.84 21197.53 14327.18 37203.68 6437.43 12573.95 21844.18 8612.65 19823.63 9007.87 677.68 2272.46 23476 19803.77 9796.26 6382.81 9210.5 33740.25 13674.45 11628.08 21875.92 14823.76 31307.37 13203.74 18276.71 4372.2 24348.95 13022.84 5781.14 19835.12 2088.17 25780.65 35649.76 2591.84 7469.21 3828.43 21809.59 11490.2 16581.06 19445.07 18672.59 21037.47 13069.82 11629.21 4558.55 14474.68 12016.52 13027.86 13219.44 9514.15 12510.49 Perindopril 12243.43 5789.13 9443.83 5349.36 10950.43 12583.88 28475.28 22600.63 9850.65 11844.48 26729.78 7273.57 3472.13 14460.91 15414.6 8402.15 6459.75 12198.32 11646.96 8214.79 23972.85 11700.32 9554.34 3619.94 5538.57 1835.26 6677.33 3870.25 11695.05 11832.05 6197.97 6562.42 8955.93 9239.58 7217.76 20627.48 15295.1 9238.61 10220.48 11094.89 8246.64 6716.24 7394.5 10519.82 12151.55 13450.45 5529.46 9899.25 9236.76 5644.13 9131.57 13628 9931.54 9293.49 13160.27 7892.46 10704.4 10978.47 6987.16 20395.14 13074.8 12324.3 13461.9 8978.33 10715.18 16973.53 6611.46 13635.8 11217.53 12491.51 8261.88 9757.33 10006.5 16587.77 8813.43 8885.98 8886.52 9048.26 8340.87 8218.18 8467.76 8509.92 8648.29 8902.29 6,3'-Dimethoxyflavone 3563.94 1987.34 1075.33 1194.35 3615.37 636.45 1699.76 5904.94 4696.9 368.36 1947.99 2643.73 1925.32 1543.14 3130 3997.76 891.55 4077.69 2401.91 2931.9 3185.32 5776.97 1104.77 2009.18 4488.97 3635.68 2150.43 1603.15 4693.08 739.83 1153.13 1005.49 3799.27 4329.73 561.1 4490.26 1112.66 2323.09 1642.91 1600.51 3172.3 4291.96 1790.99 1578.66 3297.42 1798.95 5368.79 451.52 1667.86 832.23 2179.18 1811.68 369.79 687.36 3260.09 593.52 3137.11 3518.33 2338.21 6326.43 1562.71 1812.06 1823.35 1573.7 2009.62 5122.64 3495.74 574.85 1686.71 3640.98 3085.09 1904.62 2067.54 1456.5 1563.47 2770.48 1295.33 3002.98 2781.42 2753.41 2944.94 2977.55 2752.48 2983.36 19-Noretiocholanolone 404.76 667.65 2805.16 2588.12 19216.39 21094.88 17430.46 189.56 189.34 468.25 381.37 521.43 1872.79 107.02 315.21 2647.23 800.34 275.83 588.39 264 432.03 806.73 898.71 108.82 472.87 140.18 546.31 309.24 340.83 195.76 434.49 215.87 430.9 732.95 222.18 205.61 523.77 296.24 710.43 242.26 5509.68 681.5 759.91 172.91 475.23 4936.76 615.66 477.52 375.93 711.21 578.03 627.47 596.52 272.31 635.15 439.08 733.21 141.92 749.72 590.28 590.91 228.78 194.56 713.93 296.55 365.67 418.23 421.08 136.38 524.22 290.56 445.11 125.53 508.76 401.46 2457.17 2539.9 2441.49 2344.89 2075.49 2485.74 2477.02 2497.11 2366.94 11beta-Hydroxyandrosterone 2223.16 451.37 951.95 70662.93 179445.7 67783.1 85070.55 1561.29 470.02 411.26 257.69 1221.4 25059.09 376.75 373.69 17870.45 958.24 414.51 870.86 256.27 1113.14 250.03 294.92 1493.65 144.65 252.29 251.62 209 357.43 796.19 529.46 2153.72 104.86 3709.43 1062.26 618.66 3155.01 854.57 775.58 1723.7 73696.47 8683.84 1005.39 816.35 972.01 25910.17 882.47 724.95 89.17 1905.54 2483.9 836.94 1103.39 7428.46 18492.77 1312.03 1712.93 1048.01 1469.74 12346.79 903.84 2841.1 3571.38 1444.37 558.26 7250.73 975.35 654.36 1042.72 988.31 543.28 1412.48 266.73 1942.13 8438.6 19709.57 19715.39 18865.2 19693.58 15624.42 19228.45 19276.28 19607.08 18859.88 5-Methyl-7-methoxyisoflavone 50596.21 31976.11 9517.36 13426.71 50392.44 37112.42 3760.29 62720.36 66612.9 35141.95 22666.98 30279.29 15903.06 21316.84 48673.16 37642.41 22274.69 24004.01 33921.44 70949.43 51921.26 17681.9 12846.89 20283.51 51192.44 38790.31 26853.47 33277.77 57517 33834.93 58994.93 35087.97 35588.74 10793.98 17805.21 48545.34 52231.76 31112.8 24291.51 29697.69 60887.57 57261.55 20052.08 21796.88 49221.66 19960.36 65242.08 31943.44 32582.32 48889.39 5156.18 30566.81 16097.48 19876.65 40245.29 24119.85 7546.18 11634.95 44720.73 16181.93 15656.94 16036.37 31941.53 16594.74 25689.62 43346.1 50518.32 26170.98 33557.34 50896.64 58974.44 35034.78 38459.91 23441.26 26431.54 37378.62 36039.22 36273.4 37820.98 37001.21 37230.59 38763 36814.29 37380.62 20a,20b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 15798.51 6116.02 7699.28 5648.22 15858.65 1099.08 13617.77 24350.5 6071.04 4810.28 6106.79 26648.01 113492.55 12609.14 7652.15 18803.05 370.26 11844.26 52898.07 12689.24 18127.96 4273.74 17195.72 7727.82 12534.42 765.6 6864.26 5689.6 17279.86 6220.5 9737.91 27770.86 2129.9 15736.55 6003.77 15002.9 16819.46 4242.99 16660.37 4307.18 9092.53 15892 14776.73 5878.92 2912.14 7349.49 10911.55 18781.41 21417.45 21807.92 25166.24 22475.51 66623.81 12420.44 10473.1 5878.23 64490.61 2485.25 11313.69 2349.06 10479.51 73090.28 5308.16 14309.5 6476.6 12827.09 3513.58 13837.7 4380.55 22901.5 2224.76 9165.38 10237.29 2642.89 20577.81 17615.26 17617.46 17606.78 17596.92 17889.19 18157.52 18668.15 17798.92 17434.4 brefeldin A 1070.24 364.99 435.1 12824.45 15292.85 28043.59 29081.18 583.56 269.58 343.4 241.19 415.42 12859.3 397.17 190.4 3467.92 1792.51 342.48 200.34 404.57 134.98 279.44 331.84 175.18 515.95 456.8 2318.24 879.46 733.34 697.88 1032.9 1532.14 269.77 2367.61 487.05 257.89 359.59 752.17 214.28 493.15 13475.88 4979.68 266.02 109.73 600.57 28437.52 65.97 349.59 67.94 2509.99 2799.6 683.16 346.51 3419.6 5225.07 606.62 112 190.27 407.38 2491.76 188.56 1668.22 884.22 389.25 487.64 1509.94 518.14 95.45 243.29 81.18 342.4 91.76 183.65 493.62 4556.5 4766.63 4796.53 4771.11 4784.8 4718.77 4750.11 4785.32 4749.96 4749.22 (4-Ethoxyphenyl)urea 6404.24 651.72 2318.6 1602.88 25437.15 3641.73 3643.39 5590.55 4305.88 3253.11 1601.13 4371.25 933.41 1843.05 6156.99 8154.42 7665.07 8396.9 595.16 5871.4 5472.87 7555.95 1334 2315.69 6616.29 4909.27 2426.66 1628.86 3779.35 2337.39 3361.42 6535.07 1913.01 578.76 2248.84 5209.41 6480.56 563.4 1624.2 2502.46 3745.9 9639.66 2871.69 1306.38 8504.79 779.06 3925.7 3727.18 2263.61 1551.25 7535 2116.96 2256.7 3060.56 4274.99 2662.09 2180.74 2267.9 11853.5 3153.85 1964.98 2486.83 6497.24 2177.35 1599.47 6670.64 2298.5 2435.47 2402.14 9046.53 3585.2 2981.5 2189.96 2439.23 1983.9 3297.14 3280.13 2487.37 3171.66 3319.95 3127.7 3073.58 3514.37 3280.66 3-(Methylthio)-2-butanone O-((methylamino)carbonyl)oxime 9403.09 12682.06 20578.91 23379.01 11926.85 17019.84 28219.82 11590.08 13272.5 19677.22 18326.69 21856.36 22148.64 24308.6 11160.72 21521.73 20330.33 8208.91 27997.77 6974.96 11792.59 10652.02 16888.3 27244.6 15228.73 13538.95 26428.74 31905.17 11831.84 10206.03 8319.76 22574.56 7720.45 24659.18 24729.91 13063.69 11006.31 12257.53 21540.01 23147.49 9015.23 15604.31 23273.7 20062.99 14273.52 21945.53 10753.7 22486.59 13186.51 21645.52 8077.54 9905.23 22163.19 27083.96 9712.91 11058.95 15713.93 16727.93 8084.55 7631.27 20684.74 19519.29 10927.24 23970.43 11580.52 13578.9 12199.59 28565.25 21883.33 11375.49 7564.98 23777.47 13573.29 23578.82 23067.82 16806.18 17075.06 17073.5 16933.2 17174.06 17070.1 16680.26 17006.06 16912.76 Urea, tetraphenyl- 2239 606.44 907.7 6406.71 9812.38 17003.06 12372.11 490.2 452.93 198.66 769.54 299.38 4447.24 959.94 122.31 1731.06 382.83 438.98 401.74 325.62 646.99 307.39 152.42 378.31 380.73 372.99 1408.74 911.5 1232.43 231.98 285.98 259.46 142.01 1201.93 1153.49 550.31 376.1 1249.37 161.67 399.94 6693.44 2044.05 136.22 843.61 344.96 10104.58 590.68 794.31 445.7 1257.4 1245.19 512.4 792.91 546.82 2413.09 507.23 152.5 114.46 845.34 1886.61 615.24 599.71 350.71 431.14 741.95 821.1 195.29 148.78 595.41 158.03 823 137.37 517.09 548.42 2478.96 2941.71 2748.76 2689.4 2827.14 2811.52 2833.18 1799.33 2827.54 2687.43 3-Methoxybenzyl alcohol 11822.59 4229.76 597.75 3611.21 44930.98 13649.11 11642.81 14571.42 9783.97 7088.01 5509.05 8651.5 8569.95 6098.96 4893.66 15201.76 5575.48 9226.9 10916.65 7239.51 844.65 6766.76 887.16 1367.63 12297.52 9707.89 8346.64 6204.67 16457.42 5932.52 9235.78 38572.65 9172.78 7059.12 6645.07 8953.84 8129.36 7330.68 3493.43 1977.81 6600.82 19036.34 2973.3 4452.41 13606.07 12566.83 6629.93 5553.29 20106.17 16409.63 14528.35 6677.15 5564.98 11310.18 13223.69 4236.99 1510.98 640.06 15525.66 10868.2 2604.76 3545.66 7374.86 1208.62 1640.6 15622.24 2470.68 5373.35 4467.41 6823.72 7366.9 7239.15 4655.47 4054.81 7108.9 9541.54 9548.87 9491.11 9539.07 9249.99 9469.33 9474.37 9542.27 9311.4 Glycerophospho-N-Oleoyl Ethanolamine 5634.19 32530.82 5569.38 2251.6 2731.86 2434.71 5005.22 10858.53 6727.1 6182.28 2190.8 5995.85 3374.93 2935.9 43333.49 10675.88 1134.36 6778.95 26943.38 4346.73 5630.75 2758.79 4487.52 10570.08 23269.76 5418.66 5055.66 12621.65 2055.74 11641.85 38303.93 21367.15 15652.64 1086.86 13626.54 14110.3 20242.87 7055.05 5035.23 14261.03 9949.98 53813.74 19050.19 12149.99 11080.23 12078.07 27620.71 44521.53 24310.94 28873.12 7775.83 12070.41 4403.69 18302.06 13980.88 21520.46 13532.04 12107.46 27420.1 16519.28 13728.22 7445.76 21322.04 15404.94 17280.37 30979.07 41073.22 12924.92 25230.55 28112.2 24000.32 11195.92 13860.05 17290.03 18839.3 70363.12 47094.24 45417.24 56273.77 63870.81 50409.13 62214.45 100466.39 72342.74 64735.02 53612.66 76196.86 93393.86 91170.72 43716.75 68676.71 51445.52 58588.78 82009.13 67391.12 46144.1 60602.59 77962.29 58361.15 56711.21 25992.24 27184.13 27835.67 31975.23 25944.27 27686.47 23925.58 25092.74 28108.4 Carnitine C6:0 19191.81 21594.12 11991.97 24582.69 11069.52 20133.51 18879.41 4040.29 16205.85 18665.34 8083.03 11713.56 10969.73 16132.2 21563.17 13806.21 16310.03 9788.16 18043.75 12363 10556.01 18347.95 9520.71 13377.49 7155.5 5627.56 9237.52 8899.21 23546.1 19091.5 9589.44 19033.69 13847.13 19608.78 15003.78 27003.71 16861.04 21926.51 12822.68 14841.95 18086.92 24675.27 10662.43 12293.94 21290.24 16390.44 10560.47 14163.55 12313.58 22942.9 17822.38 13379.29 14122.74 14205.54 18634.55 17923.13 21096.66 19963.02 16775.65 20326.63 13044.77 12631.13 19252.45 24501.58 13243.92 15915.14 19698.71 17800.38 12455.92 16758.6 20741.38 26226.72 17481.9 16648.84 19010.88 20270.81 17849.91 10227.18 5602.62 6966.81 20234.75 20778.89 31429.2 5633.76 10830.41 13523.1 19986.93 15400.83 32203.29 5147.3 20180.46 8174.33 20238.53 18983.87 6887.82 16585.98 20477.61 8167.02 16558.24 15798.57 16320.26 16572.8 16568.96 16554.85 16543.46 16538.14 16274.94 16057.5 14338.34 Pelargonin 15832.45 3900.45 3861.91 2786.89 8451.1 5587.89 7789.5 13064.26 18178.71 11667.63 5031.07 3847.2 882.53 5472.77 3026.82 1345.54 8374.92 2464.45 2669.51 23806.8 12294.22 5139.51 1184.47 2281.71 20510.29 1149.02 4011.65 1870.45 12682.69 2374.74 4659.11 4252.26 11815.88 3036.73 1598.18 14093.81 8828.99 4011.13 1573.8 4232.64 12844.14 9791.14 3092.81 3839.37 13873.57 5451.65 14854.84 6428.22 10505.9 5653.26 22736.71 4706.15 3339.9 4367.22 6417.72 9638.07 1940.85 1901.96 4252.53 807.48 743.27 2239.2 7103.71 3468.72 3975.87 4744.24 5773.81 2180.15 8567.03 9018.92 2622.08 6235.86 3060.48 3315.66 3611.51 4992.32 4570.74 4912.43 4493.03 4652.22 5242.46 4715.61 4529.91 4920.67 Dehydrocostus lactone 2994.42 6486.55 3979.46 3671.06 4389.78 6260.86 3973.94 5111.92 5388.08 4964.51 3024.03 3986.67 3865.28 3585.01 4624.62 3887.49 3866.3 3575.71 4297.8 597.32 4174.11 4961.04 3990.44 4225.66 5292.94 3926.58 3837.21 2670.13 5028.65 3851.48 2497.56 3954.42 5053.53 4333.66 4717.85 6964.98 3505.32 5298.46 3371.38 3050.35 1981.93 4391.08 3621.22 3130.71 4431.39 2602.31 3450.87 3821.92 3111.09 3172.24 3878.59 5469.47 3774.36 3331.69 3922.25 7180.71 4036.43 3321.47 3861 4877.92 3640.32 2904.15 4188.43 4382.72 2099.22 5531.72 5906.24 3178.51 3217.42 4561.57 2856.44 3585.5 2014.05 2846.45 3787.09 3921.42 3899.03 3718.33 3747.37 3927.54 3844.8 3811.63 3816.72 3820.56 Alprenolol 79358.75 56606.66 65418.5 40920.62 29548.6 18712.43 26092.26 45949.33 40870.57 67237.83 32315.66 40483.66 26536.99 73732.32 58185.02 45151.19 39913.6 44698.72 54354.58 59575.67 40518.25 46528.91 39615.47 66593.16 58995.68 42541.55 49971.37 57913.02 44887.09 148769.06 46000.5 49674.02 57741.89 49634.13 77351.9 57017.2 60192.05 56504.61 69041.84 58613.19 57714.03 56332.26 69063.12 71364.63 51770.87 43569.3 73606.34 57495.12 40163.1 43189.84 59170.92 66188.43 67139.92 52516.13 62380.19 61621.7 52915.48 69274.94 51364.11 78707.11 50788.05 67422.34 48784.82 76162.19 62021.71 55206.32 38843.12 60721.09 62531.38 62393.49 58030.42 64591.09 35692.96 31729.53 47654.79 28397.14 20293.42 34979.39 19162.19 27062.59 35785.2 27547.99 15674.76 25299.11 19478.17 20855.39 15971.03 12364.88 30297.53 24833.48 34904.89 56058.1 61634.28 40660.51 30659.58 41154.27 33105.16 52009.96 19325.11 40885.04 48761.04 51435.57 49459.04 49368.56 49784.42 49465.15 50111.19 50501.88 50094.1 Arachidonoyl Thio-PC 159774.74 135151.28 364887.74 122165.75 142485.22 111874.74 180258.68 473500.75 494806.45 296945.45 111481.76 150964.84 156095.68 429.67 186021.36 200780.09 174821.54 20725.17 237724.05 170529.02 347126.83 119489.86 222200.95 255937.12 73188.48 125475.86 176885.31 173261.22 78534.95 2373.48 70363.97 351914.65 232358.1 281174.23 198048.6 559981.81 234119.36 38809.38 196566.7 101058.95 76165.94 284253.11 260305.81 54306.9 228856.98 141041.9 313598.54 383757.39 640382.06 309447.95 213184.83 220609.9 210342.47 199051.21 299494.01 158608.38 188160.03 111265.22 182283.29 16012.53 185412.08 144388.27 389265.42 340456.64 143894.16 242364.45 79794.19 185467.22 64672.37 421255.39 295115.36 291793.69 223449.01 207500.16 263498.5 53172.96 20855.77 38810.33 34096.74 44637.55 70078.76 46148.26 30711.38 63196.79 63070.01 68075.72 65510.53 95478.12 2295.83 80552.04 63316.14 40784.82 27865.27 79480.44 91171.84 82533.73 54625.33 60627.98 277965.71 264985.65 263875.98 262963.59 262972.81 266908.1 262937.39 267491.43 262903.95 N-trans-Feruloyloctopamine 17607.49 26817.98 14872.92 8997.95 26016.38 33282.96 14465.99 24558.24 23584.75 28526.82 17175.89 17342.51 21269.87 7992.42 16019.77 2142.53 5718.18 6897.76 30671.51 12189.17 23591.98 19643.73 19612.77 22086.43 24217.62 18780.38 11925.89 8681.19 22440.16 6118.09 23590.37 22457.36 15941.79 20919.33 27085.61 28669.91 25103.44 30989.02 18984.72 24010.66 27300.76 29873.69 20275.34 9192.58 22010.98 15892.02 18336.93 26369.54 17933.88 11815.44 13956.5 20933.13 20073.71 27804.62 15233.47 27593.65 7262.77 13085.83 17159.98 14409.24 11037.95 18443 19444.76 24539.59 17991.99 24004.41 24355.92 12346.58 15777.57 22929.88 23644.19 19369.39 18622.49 29307.26 17255.27 20135.38 20200.48 20642.3 20137.66 20046.55 20951.43 20644.25 20688.87 20203.93 Paullinic acid 4112.9 608.26 1914.43 690.7 11550.93 36788.4 3045.01 6239.55 2945.87 1490.21 1042.44 2249.6 462.06 3806 1189.74 8382.08 871.34 10962.79 10689.77 18836.84 2107.28 11094.41 390.83 3639.55 5063.67 6835.69 3694.48 3971.79 12228.6 5619.11 8541.73 22413.09 8459.33 7119.55 2084.87 5795.76 3594.03 12986.15 1131.29 2320.42 8086.01 17399.14 2198.1 1458.17 3586.66 1530.4 9405.64 7844.39 8055.19 4939.2 3649.63 1077.4 1688.73 4337.47 3224.32 2362.24 1063.44 559.47 3549.02 4631.36 1140.69 1802.75 4615.34 1156.8 10149.3 11915.58 3017.21 4343.95 2541.34 10055.78 6798.58 5603.64 940 3909.95 6101.89 5674.28 5529.68 5840.77 5818.5 5459.53 5859.18 5886.21 5450.57 5848.88 5alpha-Androstane-3,11,17-trione 999 7764.91 615.91 1789.49 1989.25 13434.39 4800.4 12353.19 11026.15 7378.91 3641.6 6530.99 2818.57 1161.94 2146.69 3905.07 900.45 1916.83 3062.86 3913.67 11318.75 3942.7 4690.33 5465.76 9336.97 2442.67 4932.52 6703 1539.5 5278.75 8109.11 2200.43 409.19 7981.18 5088.93 7780.86 8995.42 5580.51 5360.48 3373.41 11891.99 16676.33 5506.2 2681.81 9392.23 6623.92 11606.15 7282.72 4820.75 10348.01 8666.14 8668.63 4489.08 6946.3 5764.53 7580.88 2946.98 3337.29 5031.13 3293.21 4055.67 3949.2 7805.23 5672.9 3068.16 11224.68 10925.14 4952.62 5399.26 9607.43 8015.48 7485.88 3405.04 4105.96 5460.87 6857.75 7024.78 6828.82 6600.82 6627.73 6887 6782.58 6650.88 6281.94 5alpha-Androstane-3beta,17beta-diol 400.72 549.56 1131.48 7964.33 43040.5 13095.23 28482.48 3034.93 1542.78 1392.92 794.2 962.52 5474.16 1188.44 875.57 2185.55 1764.26 1414.78 713.49 239.5 2456.88 527.32 500.51 1242.82 1023.07 395.21 840.69 752.84 445.62 647.93 147.41 2454.91 520.62 1019.71 1870.37 2551.37 1893.83 718.7 633.91 2689.16 13728.67 6116.49 3193.43 2087.65 2656.19 3690.32 2786.6 3341.58 1388.14 2802.64 2842.76 1570.88 1456.95 3255.6 5123.29 4125.84 2905.13 4606.51 2407.84 3531.84 2803.24 1590.55 3656.77 2310.06 3222.07 4443.71 3062.95 1896.15 3929.03 2025.43 1936.1 2776.15 1979.15 3900.33 4324.31 9961.94 8944.19 9046.82 8729.16 8752.43 8837.63 9057.08 8916.43 7365.75 Furafylline 4737.88 11200.85 4776.5 7645.12 11916.21 12333.92 3397.3 3782.67 7788.94 13490.92 4509.5 8318.81 7115.04 4956.43 8327.22 13658.77 7324.55 8946.26 29320.53 5011.83 4376.72 4368.1 7459.89 7457.4 9337.58 9067.97 4863.06 7937.56 8914.71 7306.77 4593.42 22137.16 9449.89 9207.59 10425.12 9294.19 6075.02 1903.91 7448.83 15754.09 7674.29 13615.67 9498.26 5444.88 5773.64 2904.63 6068.11 7323.16 6109.5 14248.28 6303.91 8178.45 7904.39 9389.88 6199.97 13602.92 5329.67 10635.31 6100.5 2369.57 7851.53 7648.21 4645.93 10445.05 10250.57 7913.27 4785.46 6935.53 8613.35 7363.14 5609.42 13356.15 9083.53 9116.27 19042.1 13706.36 29397.9 14298.25 14613.01 14473.94 14861.5 14985.93 14474.19 14779.98 14291.5 13811.88 14160.28 13888.36 14357.32 13614.92 13561.48 16063.96 13947.84 14929.57 14818.31 13844.76 15597.37 15972.9 13510.75 14622.5 10577.95 10607.35 9964.64 10658.6 10354.07 10573.83 9589.26 10279.72 10618.76 Malyngolide 24968.97 7599.3 2979 6257.66 2677.15 8605.27 13692.53 14252.99 12000.57 6582.88 12413.15 18115.17 31303.71 37538.44 6223.98 8073.6 10274.93 7538.94 9415.69 4982.32 8528.56 6685.17 5455.17 15319.31 14351.9 7579.44 10846.67 17781.56 7189.64 11822.69 6085.7 17819.28 3388.25 8226.99 8890.73 14442.38 12737.14 5914.19 23369.95 5849.94 6548.62 16245.71 7006.25 27671.56 11365.69 17682.27 6221.66 8720.25 10892.71 17281.12 18408.43 8284.5 6011.26 9381.02 12122.25 5153.71 4377.53 4662.31 7175.63 3379.38 15149.68 9006.8 7476.6 3554.24 1847.1 19580.91 18742.62 55507.82 31963.53 10012.1 5477.86 7552.56 3556.74 5042.81 13635.74 2293.51 3850.88 3194.91 3516.02 1747.65 3632.76 5083.74 7400.72 6851.77 5458.35 3470.13 3246.12 5498.68 5998.34 2312.36 8594.74 2965.5 2295.14 4084.42 2222.55 3307.68 3307.69 2969.88 3146.17 4624.98 11794.82 11895.54 11807.37 11679.72 11808.58 11741.54 11811.83 11698.41 11377.96 Strychnine 10442.21 5906.97 4672.8 3065.22 15824.65 8492.24 3241.43 11005.15 1634.72 3661.98 13394.23 19491.23 12077.57 8677.86 3071.07 17268.97 12100.9 17371.73 12029.16 17520.88 10085.24 58407.62 4524.57 21399.56 13590.5 50582.13 3654.21 8940.63 15497.26 35472.15 16882.85 29325.87 12186.88 33678.76 8699.27 13537.28 3784.78 10758.3 12177.83 8691.75 17673.78 13525.52 15387.16 9181.37 9289.67 11004.48 3356.17 11845.56 16616.87 7838.89 5466.66 6953.32 8867.13 6901.15 5153.37 3319.67 1670.88 17318.06 8615.1 6758.39 7489.02 6128.17 5347.14 4734.14 9067.21 2297.11 2689.84 15826.79 5013.42 1893.57 2427.52 1627.09 2874.85 3049.13 5775.3 5543.06 6642.86 6306.32 5558.08 6117.68 5836.61 4034.1 5764.73 5982.36 Bepridil 16438.68 14179.63 12638.98 13104.63 12973.52 8662.52 8207.58 26755.13 11999.12 13928.87 15589.25 9335.67 10067.54 12299.71 12962.46 15402.53 11275.7 13106.76 13451.95 10034.31 14319.4 1558.33 8694.13 13384.55 1581.51 12654.38 13313.03 13631.4 11434.65 13503.52 14117.08 14990.73 8748.54 13309.86 11987.47 14023.74 12963.29 11800.02 12643.58 12834.03 12509.77 16266.82 12477.54 11673.29 10578.72 1736.93 14332.37 12696.06 14001.67 11394.09 10445.81 12413.84 13949.48 13004.97 14745.78 11731.48 11137.43 13701.27 12515.23 12819.56 13904.79 12268 13013.72 11435.1 10272.12 11859.21 13280.16 12960.48 15152.69 11027.9 14086.26 13785.29 14922.79 13074.21 13697.58 5276.11 12490.59 4638.74 5102.27 4741.93 5672.66 5165.61 4941.3 4797.22 4798.8 7264.0 4942.22 4862.16 4664.23 5003.56 7447.44 4865.7 5322.81 4954.21 5885.84 5041.96 4940.46 4970.09 5155.06 5033.89 12802.41 12726.03 12718.88 12796.83 12766.23 12598.44 13219.64 12596.68 12792.1 Selamectin 440.9 2863.59 3288.18 2356.09 1437.95 5534.41 7269.69 9286.48 10776.28 6097.95 2746.56 6810.15 4841.43 624.45 2874.42 1625.63 639.73 343.29 3583.98 1764.06 6672.59 675.61 7532.93 2258.91 837.1 8611.22 3139.65 4571.92 1183.25 5125.22 4331.8 3635.67 905.86 5996.38 5152.35 22750.39 6876.39 7131.23 4076.05 3988.25 14314.65 13137.51 4854.97 4152.13 12887.32 3976.78 29749.2 10919.92 12413.33 18473.59 7812.18 8169.83 5079.34 6561.49 5432.25 7420.52 3053.23 3121.82 6442.71 5740.31 3619.6 3730.34 5865.91 5120.36 3308.35 8489.57 12418.92 4450.44 4538.5 7056.83 7747.28 8029.08 4192.67 5568.02 6721.25 9163.46 9015.74 9150.82 9239.5 9241.24 9151.01 9521.62 9183.34 9153 Tosyl-L-lysine chloromethyl ketone 7497.22 13789.35 8942.48 11799.2 7096.96 13251.4 5598.66 1998.38 3393.08 548.35 1363.58 1860.08 1664.41 1539.5 8292.72 6196.76 6788.63 8413.74 14301.17 7043.65 4478.01 9530.84 8060.01 2681.75 1234.74 4539.44 4185.46 1745.3 4629.05 6427.68 1506.04 1396.77 6666.24 10879.54 8468.64 1824.66 4312.51 9001.62 5418.32 6510.63 6821 17126.16 11550.36 566.74 2372.66 11138.19 14856.64 12029.81 9253.51 5408.32 1002.76 13704.32 14214.57 7332.08 7154.85 9876.65 4402.04 6857.37 8413.85 4452.58 5045.8 13232.64 8874.14 9697.61 13658.58 871.47 16934.45 958.82 1667.32 4214.78 8573.45 992.14 5139.58 8995.38 5041.12 7152 7022.54 7083.92 7195.78 7208.53 7214.95 6476.67 7196.83 7013.15 N-(3-Oxohexanoyl)homoserine lactone 45339.64 49835.03 30094.61 27055.05 57059.33 55545.57 42421.28 47663.16 65639.73 27257.43 30118.7 48944.75 33151.04 32963.33 62482.55 53312.08 33759.64 72128.43 57854.19 125479.49 49472.67 31443.33 25887.06 33410.42 51499.46 64662.28 38989.16 42797.46 75174.97 28513.16 101232.18 65246.8 49790.3 46024.74 40315.54 51732.44 55063.76 43663.12 36817.57 31648.16 121765.05 83775.66 41904.8 23249.64 84360.03 40356.03 51155.74 50290.42 31381.31 59792.48 48442.47 49068.28 39112.28 38255.9 33445.19 50243.1 22405.9 17783.69 43635.08 21160.3 22048.23 20224.15 37121.27 35464.54 39398.97 58085.26 73881.61 32207.13 36083.64 54278.37 59805.19 60503.93 35955.71 38115.94 41000.81 50439.68 50696.32 50422.09 50700.66 50435.57 50698.92 50494.6 50443.41 50823.8 Veratrine 8880.05 8847.3 6004.28 7556.09 12700.17 15434.95 71497.44 13660.24 10432.18 8884.98 5034.19 6491.07 7833.31 9246.22 9683.98 7596.83 6892.78 8219.22 7837.88 1834.98 8298.43 5914.53 5552.94 6932.77 9624.95 10830.72 7101.33 7866.13 14625.21 9080.41 11763.56 159698.88 5501.11 9409.68 9640.44 12946.17 9653.81 8109.44 7469.52 6216.4 18486.48 12590.78 6697.32 5996.11 12041.23 9938.82 13398.4 8091.46 6660.09 11217.52 8420.66 8688.96 6011.29 7541.32 1429.93 7090.22 5494.73 5011.91 6994.94 7720 5993.04 5966.54 7540.46 6163.63 5408.5 8635.71 9640.26 5938.25 5993.32 7783.86 7684.5 8741.06 6694.29 7332.25 9355.07 15061.39 15039.33 15255.96 15260.25 15365.85 15265.61 14808.94 14941.21 15418.9 1-Eicosanoyl-sn-glycero-3-phosphocholine 3838.41 605.65 650.54 622.89 939.16 982.3 7549.13 8292.14 238.61 979.77 376.48 404.66 687.89 15524.83 259.19 291.69 4399.16 3949.25 1637.22 10331.45 5671.32 12464.6 5523.68 5978.45 8495.32 482.01 6374.19 928.7 1756.15 5412.97 10907.08 1809.17 605.31 567.59 3776.35 470.2 9542.23 4629.82 3225.87 342.84 7493.51 124133.94 7201.06 555.23 7681.13 1064.47 6021.78 486.65 5567.33 8311.54 10836.78 7533.45 1489.49 1065.93 28618.55 442.16 463.09 747.5 232.44 10710.76 6017.98 652.78 7515.58 3236.87 1800.18 7943.36 7631.5 9370.77 3792.35 8221.31 7712.22 6892.51 456.79 616.72 328.2 2696.48 3174.78 3300.68 2091.09 2749.3 2717.8 2634.33 2747.8 2802.79 2707.8 2277.8 2681.89 2511.68 2630.97 2558.02 1856.44 2574.39 3057.49 2123.1 2775.7 2349.48 2336.47 2847.07 2078.0 2381.4 9472.27 11166.5 10130.65 10368.49 10353.44 8870.22 10096.81 10310.34 9850.07 Aucubin 4647.65 4560.17 10765.42 9237.48 6039.83 5748.87 11278.11 4617.68 2263.18 5099.26 6432.5 6551.73 7875.5 6533.05 1383.28 7202.35 4993.14 1893.69 7729.29 1299.36 3749.57 13289.85 6068.69 9345.01 6363.32 3653.4 7264.56 6856.27 5494.27 5071.21 1716.92 1733.23 3076.33 9181.55 10011.57 2073.11 5620.34 4895.13 3518.95 9618.88 4699.13 1998.69 11057.08 6026.68 4348.1 11622.11 1693.31 3944.34 9969.17 3832.7 7233.94 4652.37 9767.92 17556.01 8481.57 2541.5 8940.62 9260.58 827.18 2918.57 7282.78 5713.99 8749.78 14872.55 4773.14 4003.25 953.61 4853.71 6366.09 3621.2 3525.8 3058.56 9954.64 12206.23 11314.42 7201.38 10783.83 12137.02 10946.16 6029.39 11885.11 18727.05 5621.69 7872.52 9174.03 9520.06 3970.86 14793.06 3610.5 5024.07 4697.46 6862.37 50115.66 15604.95 21147.57 14456.17 8337.87 6354.24 6268.72 6266.65 6433.72 6402.42 6157.11 6268.63 6287.81 5859.24 N-Benzyl-N,alpha-dimethylphenethylamine 1511.13 8582.44 422.25 2896.09 12865.54 6565.55 2266.52 16767.86 15292.16 8625.08 4008.8 3753.65 5703.11 5153.02 13693.96 9408.38 1762.75 4218.81 6537.82 10584.53 9782.03 2519.87 3974.95 2831.25 16744.05 4783.18 10253.92 2301.68 1750.74 2541.07 2197.97 6812.77 8273.18 6001.33 4968.51 11749.82 10942.15 969.16 2771.09 9359.27 525.51 3218.8 11830.46 2434.62 4888.59 4383.68 5273.75 6415.53 2797.66 4527.7 8833.57 1706.42 7140.18 10349.62 12343.01 2482.05 451.34 1163.45 3778.24 2116.08 1134.94 3255.06 12375.96 8491.07 8397.49 10982.38 2358.29 3561.81 2507.09 15267.94 11037.64 4523.92 1041.42 5867.6 6209.42 6462.55 5993.45 6679.3 6660.68 7116.78 6553.73 6264.62 6584.6 6451.26 Chartreusin 9332.4 5213.28 1521.51 546.73 5873.73 6786.62 1612.89 7637.71 12057.84 4604.56 3305.6 3532.26 449.04 436.97 8342.66 4455.31 700.15 490.81 2748.66 403.32 9436.97 1091.62 1744.81 2196.05 1367.51 408.49 4083.93 2967.49 9083.75 902.58 688.59 1593.7 608.55 822.15 546.31 11034.44 9070.79 3654.8 3039.99 4370.63 6264.08 6603.15 1706.77 511.86 7936.58 1352.68 10951.91 5195.99 2397.79 6736.15 3841.35 4275.79 960.56 607.77 5911.02 4355.46 1598.83 1851.4 6813.61 3239.19 779.35 799.88 2155.47 1553.52 3487.11 6708.8 7872.72 3364.97 5231.06 7167.26 14187.78 3761.48 7317.14 816.62 3074.57 4761.66 4689.7 4636.55 2972.24 4600.24 4387.62 4409.3 4377.92 5201.03 2-((1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol 985.55 1646.67 1184.1 5967.53 34532.5 695.34 3965.53 435.59 768.72 1172.74 293.35 1331.15 1966.76 468.9 199.13 279.22 1240.29 1060.12 978.42 893.28 1076.57 706.48 997.74 268.98 1210.1 189 1075 1094.52 1148 853.92 1340.55 1625.4 770.98 985.8 1145.42 409.03 1003.41 1273.83 972.58 667.24 11686.91 921.4 571.13 512.69 532.38 652.07 1020.77 173.5 738.67 1219.13 1327.88 909.93 347.18 247.96 6063.65 1952.66 1042.2 1315.58 1709.31 2650.53 2753.5 869.3 1286.01 999.9 640.81 3333.77 1073.98 264.74 1729.9 1476.59 632.12 743.48 840.07 1021.09 274.34 3356.52 2988.04 3317.26 3522.14 3315.33 3221.55 3215.96 3276.66 3318.14 Panthenol 43418.84 43351.09 48898.23 44501.12 40696 41795.58 63936.72 88881.23 42597.83 43533.41 75661.91 37424.6 36273.04 43680.1 40039.17 39657.89 37564.81 40899.22 39355.89 41029.22 56760.1 35863.59 36059.37 45127.24 40935.72 41975.76 43953.66 44953.48 40928.39 47146.28 41971.75 42892.61 34680.67 42291.92 43558.73 42298.4 41859.32 41910 43889.21 43790.65 43614.65 41645.72 42760.16 41388.53 41772.4 40563.15 38423.41 44090.91 38649.82 40641.13 39831.46 41742.5 45552.63 39988.93 60449.26 42098.81 41935.64 43860.31 39230.76 46096.89 42547.05 46114.33 41029.72 47350.03 42629.58 42973.34 43938.34 42434.41 43905.17 41872.23 41669.51 42007.14 40031.38 41307.24 43256.17 41174.96 41174.18 41187.48 41173.85 41243.21 41173.99 41243.33 41011.38 41236.16 1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester 579.25 38827.17 31425.16 23419.64 74851.65 47551.38 68280.79 3470.07 34629.91 30031.05 3993.37 62030.4 24064.86 3092.27 64897.52 53753.42 33226.71 40967.82 75821.35 57747.84 16959.69 48410.86 18631.3 15163.09 22224.33 45427.39 15991.38 11128.7 29216 397.12 5425.43 32712.56 30489.01 29089.57 13866.74 48131.63 20648.84 15914.29 2804.82 58060 23045.88 40253.75 23522.42 11177.79 26096.64 24985.38 29606.44 50986.17 7164.66 52537.18 10706.7 10963.72 15944.06 54792.26 33936.63 49636.25 41012.53 61191.9 28463.89 148424.27 17997.35 16092.07 23602.41 53165.69 49611.93 43097.57 24897.08 19875.02 27426.95 30906.35 17193.6 26494.83 15828.83 61686.73 10879.06 38410.26 38428.24 36676.07 38205.55 40037.4 38427.87 35834.27 37388.85 38428.43 PDGF Receptor Tyrosine Kinase Inhibitor IV 2752.92 4112.79 574.25 350.68 2449.97 3022.56 2120.3 5073.22 3274.47 2411.44 515.57 1395.76 2576.46 1170.53 4793.05 1941.66 1373.91 2522.4 2686.91 4758.44 5540.57 3360.84 1111.73 453.75 4670.19 4770.59 882.77 384.47 816.97 371.29 2846.12 482.79 3621.71 636.67 660.68 582.36 3669.92 2687.58 572.96 315.83 2394.8 6281.23 1312.07 807.96 1548.8 1059.8 2694.92 1046.34 1820.92 1403.42 2776.19 2198.02 1154.24 995.94 2835.05 3095.31 791.27 579.9 3440.02 2976.24 797.33 789.2 1802.76 1548.94 1273.71 6351.98 4665.55 837.95 1232.62 4479.43 3163.19 2610.5 408.93 1595.45 1443.85 1252.16 2735.77 3153.1 2754.1 3259.3 3352.87 2807.37 3263.81 3007.66 Glu-Met 3289.94 2479.93 3346.22 2264.96 905.61 2743.55 3431.13 6150.49 7346.31 4121.15 10580.68 5108.44 531.7 1287.02 5336.03 4285.64 1232.47 7548.08 1450.25 1361.29 4448.67 1940.74 2957.66 1977.94 3336.34 4509.67 2549.69 3443.59 1706.62 1040.32 4388.18 2948.94 9363.54 5086.16 5896.7 1243.31 34866.65 4712.48 1350.96 963.22 4832.78 1949.6 4531.24 3715.15 2418.37 4279.64 1080.02 2054.89 5518.13 3232.63 2250.55 5857.55 2315.66 4985.36 2268.17 1269.31 3441.01 951.33 4505.06 2302.2 4770.11 2958.97 2197.45 22218.14 4624.35 6201.65 3739.06 2843.23 2144.5 4660.69 6260.95 3737.3 1484.67 3007.53 4217.82 4897.77 3482.98 6007.28 5367.73 5387.19 5640.33 4853.17 5120.35 4719.55 N-Heptanoylhomoserine lactone 4330.01 6335.77 7906.39 6210.06 8334.94 3449.2 900.18 2507.18 5781.38 7008.55 1313.18 7833.87 20334.65 9732.24 4295.42 4354.85 3526.94 4471.25 3406.4 751.7 4481.51 1475.66 5424.59 5183.05 2041.29 3046.27 6182.32 1921.28 2004.8 1163.55 1810.69 7471.22 2363.5 4646.29 2105.91 3118.19 4550.6 996.23 4539.65 896.41 537.56 6392.22 3378.2 10544.76 5611.68 6822.74 1220.82 2714.84 7983.42 5357.26 7727.43 7314.26 1245.73 2646.98 11010.82 7407.81 6087.05 4176.85 4067.07 9824.9 8485.5 5385.76 5676.42 996.1 641.57 10737.3 2248.58 7513.43 4384.07 2433.55 2421.69 4744.38 1652.56 3568.04 6062.08 5598.61 5595.03 5620.25 5651.86 5659.64 5630.07 5653.86 5598.23 5652.6 Dihydroxycarbazepine 3758.38 5856.72 3142.72 6645.73 8893.38 3023.63 5670.92 6500.13 9656.59 8821.97 4333.12 5944.5 6602.92 8253.21 6081.25 4589.33 1986.76 9537.37 6814.05 7887.29 3952.49 3442.05 5406.47 4238.07 3047.37 7277.45 5294.34 5544.07 6539.81 6300.2 8592.95 9018.21 4839.72 7206.75 5873.44 8275.37 2704 5104.35 4684.1 5807.9 8499.51 6281.83 7740.54 4275.11 6998.93 9206.71 7917.23 6556.31 6540.28 8632.52 4388.11 2722.4 6383.41 7725.93 7679.49 3424.47 6254.12 3677.5 3071.34 2245.88 2922.04 5006.34 5644.34 7193.28 5169.09 6501.92 9153.46 6000.27 3504.07 6925.35 6190.75 5218.81 6909.43 6782.37 5443.48 6894.1 6653.52 6871.02 6441.19 5551.85 6523.75 7184.54 6833.89 6988.54 Amiprilose 41432.97 24394.5 1680.23 6964.96 52557.69 101145.29 1712.93 81755.21 39304.55 42087.95 9142.91 35161.33 27373.55 41128.03 71641.08 38028.53 3701.49 134739.48 107491.65 56511.49 67396.01 64800.32 50567.42 24513.89 58237.1 39678.13 3630.07 21557.83 91375.17 23385.34 50621.66 197600.39 77858.66 37631.96 19537.44 77542.27 66219.95 36069.72 40972.5 7047.26 41160.95 103266.57 42598.11 26453.59 79160.36 29959.54 54693.12 42663.21 74699.61 81148.43 70035.16 66526.05 32847.91 7724.51 51913.04 51376.45 2804.23 7564.07 95131.04 13505.16 17709.33 12765.34 54670.27 66908.24 27986.27 40023.12 32564.43 21630.16 12021.69 68066.08 30129.06 42080.25 48488.12 7940.53 8944.79 51938.45 52151.49 51904.99 51905.86 52151.56 51729.39 52284.94 51901.42 51962.43 Ginkgotoxin 4554.07 3064.89 1519.89 2320.76 11464.94 1924.93 3749.19 7307.46 4985.66 753.02 1505.68 6614.71 5098.74 1050.97 5691.24 2107.83 1626 4499.53 4962.97 3295.12 7039.33 686.31 1886.76 4309.43 3824 2836.05 1711.48 3854.71 7564.02 4850.97 9187.42 15056.15 1535.64 4991.82 2987.01 5751.35 4834.12 3124.76 2669.31 2072.88 5849.66 8428.86 2762.51 2630.65 7272.45 4130 3413.94 4775.17 7584.5 9353.23 6581.45 3126.86 2985.67 4770.37 3304.86 8067.17 1751.61 960.85 4408.61 519.35 2040 3101.61 4160.54 3256.83 1870.45 3865.2 4727.07 4913.53 3503.53 4398.46 3838.03 4702.84 3249.44 2795.8 4323.43 4541 5252.88 5144.75 5130.64 5206.67 5361.48 5224.18 5131.61 5123.04 Rebamipide 772.66 23847.98 13673.04 2762.78 2069.5 543.42 6690.32 6669.83 11395.07 43413.44 10158.57 1698.05 6881.87 13980.78 13518.07 14792.9 17298.54 19711.6 55655.72 15644.95 2704.68 15901.79 7823.32 2753.27 7743.73 128983.15 60707.46 17636.57 16454.5 7170.18 14390.66 20208.69 15434.4 9892.92 8060.66 38634.47 959.21 25938.49 8433.96 11234.55 875.98 601.66 10340.27 6090.53 12369.37 1912.21 11586.06 8955.47 1082.82 7824.45 772.25 10922.69 9503.2 643.6 4509.4 29119.58 9626.32 2977.32 8644.16 39970.95 5126.08 2475.09 3133.96 8649.56 2247.24 12232.74 11414.53 24857.19 8028.6 12564.7 6785.6 16003.36 7614.17 5332.33 29889.38 13129.38 13063.15 13067.44 13222.86 13058.03 13066.71 13227.55 12926.37 13257.03 Thioperamide 5015.67 2101.33 3253.57 1135.73 4298.48 15196.32 6872.62 17984.25 24572.48 17511.95 5696.82 8796.13 8420.43 4225.53 5497.64 10854.96 7224.38 14863.42 13769.5 3929.91 25921.95 8116.16 3583.61 1577.55 32492.74 4014.23 13852.61 6318.34 6696.67 2304.45 11761.16 70261.04 1344.72 8561.16 7340.75 15812.5 17807.17 7717.33 2822.45 5360.02 5639.39 24000.64 13717.15 6675.63 31606.42 5397.65 20161.1 27166.15 26568.24 25227.06 27417.14 16803.91 3494.23 7014.56 23942.51 13661.31 1135.56 2192.83 82107.46 8173.74 8733.35 8782.76 17274.09 16248.78 8384.47 16802.05 14094.31 10881.82 7236.24 20501.64 17084.23 22235.58 15540.59 10285.86 3002.34 15742.88 15337.41 15373.46 15360.82 15612.13 14416.94 15722.58 16496.32 15336.86 Dexibuprofen 5870.82 6162.6 5899.62 4032.1 9426.12 16600.24 1392.94 9292.09 11552.46 4676.6 3008.99 4932.91 6535.53 1137.7 9709.94 7043.52 5629.31 9115.41 4213.45 12440.15 7094.58 3496.25 1979.64 5222 7794.39 11417.53 3399.46 7288.89 7950.35 1310.39 7360.28 3360.7 7020.99 5243.98 7416.61 9723.62 8700.16 8620.33 3958.28 5047.55 13296.98 11565.6 7999.05 9527.42 10997.12 2639.04 9647.03 3919.91 5043.13 6168.37 5139.14 10747.29 6985.7 9540.63 5165.02 10000.95 5755.32 4109.93 6137.85 8623.68 5371.34 1645.27 5258.23 6553.95 4397.16 8461.35 11755.22 5718.23 5230.35 5307.81 10158.29 1380.16 3257.31 8965.55 7603.36 8104.7 8105.07 8039.67 8039.82 8041.76 8068.52 8092.33 8106.68 8039.5 Lys-Ser-Glu 3278.45 3147 1676.06 973.32 10019.62 15015.73 3571.38 5738.84 1044.93 4484.81 1401.64 1805.59 1070.5 1186.81 1472.13 1949.25 1406.63 2546 1003.43 3690.51 4347.56 690.01 5339.11 524.21 3461.69 3791 1779.1 8467.64 9792.35 599.41 6709.24 1202.04 3914.93 796.99 3026.58 6513.54 1193.13 3913.53 916.56 3899.77 2219.74 3358.52 4186.65 5524.76 3940.36 8511.77 4056.8 3014.19 6285.63 4114.22 4470.5 4120.07 5796.12 6132.45 1195.23 1666.84 756.15 1584.68 1154.48 3741.88 1045.74 1117.15 919.48 6078.08 1193.35 4413.83 1807.24 602.54 1429.56 3490 1031.31 4877.65 2285.53 4116.36 1689.51 2687.63 3496.11 3823.84 3882.4 3679.81 3700.29 2884.19 4176.38 3330.5 U-74389G maleate 1185.52 2287.93 780.76 2386.81 5683.93 1604.34 1252.93 6622.21 2728.72 2219.22 2688.63 2602.66 1194.58 3687.09 2917.01 1928.54 2067.1 900.55 1702.74 723.33 5091.03 1179.59 4933.35 1523.79 4685.49 2660.56 1581.08 1008.95 3345.85 1055.53 1720.88 8912.95 2560.72 4177.56 1732.53 2847.69 2644.14 1966.33 1137.06 1552.63 873.14 3452.5 1187.48 788.54 3154.83 1009.78 3288.53 2238.34 4404.9 5297.22 2541.45 1279 2965.17 1688.69 1981.94 1285.22 902.48 1110.26 2987.47 524.51 375.84 773.59 1365.3 2770.72 1687.56 2597.61 409.42 2225.73 1655.81 4443.05 999.89 1848.66 3848.53 550.39 1804.2 3253.23 3237.7 3377.41 3229.7 3231.4 3814.94 3381.42 3387.45 3316.1 Ser-Gln 4856.36 4352.13 5257.06 4414.56 3480.98 5026.2 6339.97 7781.7 4556.42 4162.82 6257.48 4161.65 4260.01 4779.34 4867.39 3919.97 3888.09 4744.08 4230.25 4364.89 6080.09 3703.04 3719.3 4891.68 4950.58 5493.82 4619.84 4876.32 4203.49 4692.19 5635.98 5028.7 3787.82 4790.15 4480.15 4926.18 3756.57 4597.12 4415.26 4171.22 3956.87 3880.07 4511.62 4228.9 4072.68 4280.44 4604.84 3851.83 2667.3 4996.5 5076.82 5021.25 4803.44 4081.27 5975.49 5086.02 3841.78 4964.98 4260.07 4480.9 4040.89 4514.24 4085.95 4128.11 5218.16 3493.09 5123.05 4689.7 4473.56 4611.7 5302.32 4155.64 3426.45 3873.06 4271.47 4215.97 4127.96 4321.67 4132.37 4134.42 3853.47 4220.48 4256.38 4215.58 3',4'-Dimethoxyflavone 15190.76 10120.13 1585.83 1338.41 11760.02 10097.94 5183.4 8065.62 15233.76 2089.8 3046.41 6966.17 4020.68 7317.91 12549.12 17923.41 3249.38 9535.02 6779.92 14415.41 11482.41 1348.89 4158.39 3994.5 5967.97 3519.45 4674.63 11152.13 8051.18 4806.84 19356.34 5355.17 10584.78 3679.37 3708.72 10463.2 12597.21 6288.33 6781.02 7770.2 10428.24 10409.13 5335.24 3524.94 16247.75 6443.58 21819.21 6910.74 3813.27 13283.21 7755.78 8568.92 2429.78 6196.45 9948.26 9566.48 5973.57 3544.08 11837.43 6128.12 4487.08 4196.63 9133.5 12381.95 10008.72 12284.72 15710.72 2052.86 10805.02 12210.45 16379.62 10149.39 12201.04 8163.36 6527.03 9835.16 10212.82 8846.64 10190.67 10867.3 10212.68 10418.35 9779.65 10193.72 Propoxur 8618.31 3642.82 1288.39 1352.71 10100.29 2403.7 3776.17 4324.87 8416.72 3500.41 2385.74 7170.79 6198.65 3413.22 7984.78 4205.26 2843.7 4660.14 3392.64 6239.97 8035.43 1333.52 805.47 7536.5 6778.77 8113.81 4627.31 5078.84 2716.12 1704.52 6635.44 4433.98 2097.38 10090.52 3508.55 6383.45 6348.7 2254.35 6279.76 3144.72 3131.75 11216.98 1950.12 2531.64 8072.51 5035 7575.51 3110.43 5950.18 5463.88 9345.54 6669.42 4255.08 10959.09 4222.87 4950.94 754.75 1050.54 2678.56 3739.44 2646.48 2224.11 3754.2 980.99 662.5 10462.97 6322.9 5857.35 5127.34 4009.8 2965.41 3867.55 1847.28 1172.84 3200.67 5729.07 5798.04 5415.12 5858.84 5294.67 6114.77 6474.29 6221.6 6669.85 Fingolimod hydrochloride 1218.29 1897.05 831.96 1150.55 1986.6 1449.7 2721.44 2783.69 3047.27 4443.26 2652.13 2560.76 2092.29 3035.74 1909.78 3635.26 1977.51 518.21 2104.79 2397.35 1545.41 604.08 3091.72 1186.32 1764.75 3468.88 2665.32 5061.15 3293.6 1268.76 2031.28 1436.68 1802.46 4368.73 2967.28 1551.06 1455.85 1047.71 1783.65 1843.09 5397.97 7874.33 2408.37 2201.43 1766.03 1684.48 2617.3 3157.83 395.52 1842.11 4225.68 3315.99 1815.45 3857.93 1692.54 1114.86 1211.54 1602.07 1421.27 1048.5 892.68 1793.19 1896.25 2188.51 1890.17 2479.07 3924.04 2546.69 2374.35 3208.86 2045.98 2825.32 2972 2348.51 2386.98 2724.02 2730.48 2590.66 2643.45 3102.6 2733.48 2736.08 2553.08 2552.68 N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid 17016.84 18057.07 23295.1 20235.89 21254.41 17329.73 30599.46 20811.22 18391.71 21495.38 13283.72 24016.98 37397.3 25375.7 15467.95 17861.33 17468.65 18495.24 33076.06 17034.35 10801.08 10177.85 24619.97 23143.19 23375.84 14579.88 21531.99 26964.99 16837.69 9844.71 14911.29 25174.59 11422.46 25304.81 24713.71 24947.87 16966.82 14149.49 23701.28 22319.59 8540.74 18294.08 27398.76 20929.73 16491 27585.42 16956.29 24918.89 32586.99 25031.52 31424.08 19375.37 27417.93 31477.5 19729.33 16205.02 18179.28 20549.09 10557.24 17981.01 19502.84 21954.19 17623.58 25271.72 19086.04 22358.17 10938.39 21378.87 20927.74 16053.86 15171.32 19385.8 19571.35 24955.62 26479.58 21349.93 21817.43 21730.47 21885.8 21578.71 21708.03 21629.63 21907.27 21825.32 dl-O-Phosphoserine 8415.91 6937.65 4917.33 6643.58 6272.77 6820.77 9585.22 6327.9 6203.55 4913.67 9697.11 6561.68 3306.58 7233.11 8312.82 11726.34 7151.04 6943.05 2579.5 6939.91 5703.92 1345.36 4375.12 5763.45 6330.98 3621.98 3128.05 4500.15 4354.38 5715.77 6932.06 842.35 3447.02 4341.36 4979.4 4300.7 9152.46 6684.23 7187.13 7239.6 3375.97 6692.2 5783.44 6316.39 7797.25 3205.5 5122.35 7092.8 8622.6 7655.97 11107.37 11608.66 4009.22 7471.14 5924.4 8083.42 4441.25 1949.56 6043.48 5161.29 8829.46 6529.82 12029.21 5801.83 6459.48 7474.09 10483.75 6080.85 8961.27 11208.78 7381.34 4177.13 8483.6 7409.33 8111.46 5076.37 5342.04 5330.43 5338.84 5150.86 5332.76 5151.01 5334.81 3803.65 (2-Methoxy-benzoylamino)-acetic acid 5684.86 6761.06 4209.79 3456.86 8742.05 9583.39 1424.35 4003.6 3189.91 1621.3 2935.2 9086.52 7613.6 6374.56 6700.56 4923.59 4443.41 11576.49 6059.63 15214.05 7583.24 9494.91 4020.31 3163.45 6772.82 7152.34 3234.91 5182.21 13213.3 7817.31 12887.55 10448.13 3770.05 2908.77 3374.36 11360.91 6993.69 5164.57 3453.82 4407.19 14783.72 6793.26 4130.41 4176.55 14424.99 7144.1 11638.91 7976.74 4394.96 9213.67 9201.98 7720.12 4452.38 5018.39 6885.67 9346.29 4977.78 3871.15 5709.68 8834.75 1772.38 4101.55 4421.31 3025.91 4635.18 9331.91 8860.98 4092.26 6446.37 5514.81 5586.33 7231.45 3613.65 6091.68 3624.41 6157.12 5772.28 5821.19 5630.1 4297.89 5592.96 5864.38 5721.36 5858.79 Prima-1 5565.36 4728.5 9971.79 7797.7 15614.72 7148 995.97 5454.41 593.64 4915.54 3635.22 5761.66 21403.3 7412.77 8289.51 5944.03 4426.49 5724.08 7021.19 2995.27 3069.16 1937.81 3329.69 5095.4 5216.76 4044.41 7895.3 3881.18 8261.7 691.57 2348.17 5166.2 3090.39 7104.46 5563.75 5800.45 3308.3 1805.98 5895.66 4166.2 3543.07 5741.3 6724.92 5222.13 4423.57 8108.02 3728.69 4237.52 4651.5 7095.73 3345.25 5545.42 6776.86 9873.22 4482.79 7024.87 6921.11 8601.09 7455.15 3721.86 3850.14 7940.61 4859.96 8023.17 8387.22 6296.8 2138.25 5879.83 4326.65 5451.19 2340.09 3240.5 5937.95 9610.64 8764.35 6171.68 6088.31 6026.69 5935.32 6028.3 5982.62 6076.67 6089.83 6087.4 Imperialine 5965.41 599.18 4888.64 12956 7474.32 13991.67 6910.86 3385.9 962.37 6214.06 6669.49 8550.33 17429.96 10459.84 1874.01 9544.47 1717.19 931.45 7334.2 1831.93 2432.8 4038.77 3390.8 7171.29 837.65 1032.5 6535.4 11359.25 2997.39 22981.03 1546.7 49467.85 2698 8927.9 10855.47 6471.14 2843.64 7199.82 9511.34 5432.11 6331.39 12289.39 6691.8 10853.78 9532.95 35137.7 2939.23 2967.49 5101.02 25250.61 1093.51 4251.82 5763.33 15453.82 3422.13 1784.1 1971.68 2486.47 1509.76 2098.9 4090.24 5337.08 3352.09 1673.67 5035.41 9589.39 9366.89 7856.16 10034.84 1476.16 3560.33 3685.41 4532.99 14237.3 20226.06 1936.66 2831.72 2882.95 2030.76 1473.91 2786.89 2901.84 2247.95 2636.56 2203.32 1282.19 2630.0 2007.78 2093.6 2503.71 1098.09 1838.45 1787.39 1904.11 2091.76 1876.26 2205.15 2268.52 2269.15 1844.6 8283.27 8591.9 8794.75 8698.13 8709.76 8833.89 8572.81 8759.56 8747.44 7,8,4'-Trimethoxyisoflavone 998013.14 589284.41 240493.62 268333.57 940293.11 636157.44 464521.61 1176949.69 1224639.18 776615.4 400192.06 668670.76 349469.24 504108.21 847091.04 686877.77 416266.52 810266.31 775997.48 1309366.27 1009660.79 378739.19 248906.11 387576.4 1091474.68 825420.36 550790.42 780731.38 1167716.48 927784.09 1208139.71 801976.87 579562.78 381354.98 330157.35 1064535.61 943415.68 571841.54 485336 587592.87 1327816.34 1271396.05 371132.99 406127.9 973878.34 500831.31 1198921.99 671836.94 860171.68 966459.25 815939.27 466834.76 329658.81 458992.05 783705.37 534318.43 191988.64 201837.19 815830.67 379361.48 316475.44 256030.73 527913.77 415003.02 574656.31 879493.79 848664.64 676743 756416.84 962097.41 1077656.23 663804.6 780939.03 504638.47 507530.12 799477.03 795525.29 795507.89 791141.53 795582.43 780553.63 795609.22 794023.85 791105.91 (2E,4E)-11-Methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid 12058.1 14692.46 7109.97 43348.4 97493.55 89744.03 59877.95 9651.7 10359.14 10430.58 16235.88 16316.36 42209.33 16453.47 7518.73 19302.5 15265.81 9589.27 14508.75 11648.72 10011.34 16948.41 5845.07 6422.64 8289.56 9293.79 8388.48 12099.67 12260.21 12516.42 15502.34 32031.25 6255.86 9567.13 7203.11 10650.52 6705.3 11099.74 12049.03 6217.84 37530.68 15695.07 3958.59 7826.64 15013.99 65696.23 8597.98 7202.88 7896.63 48353.44 15104.53 10992.14 9851.56 16490.83 7098.87 8221.31 7796.25 3890.81 8747.43 5614.44 9373.23 16301.01 11567.33 6857 3591.88 19477.32 13959.97 10488.31 7905.11 7520.27 9449.2 12554.54 4917 6233.51 12808.84 19724.69 20281.53 19403.64 21824.65 20768.9 21856.08 20858.87 21850.41 19374.86 Dihydro-5-pentyl-2(3H)-furanone 912.04 1179.88 566.86 398.05 3200.83 2551.78 1902.55 1566.95 1558.69 1791.87 405.61 1182.86 639.5 370.28 2312 2993.41 612.51 2759.36 2443.34 2710.59 1710.6 462.65 532.23 1380.41 746.18 1091.03 670.19 608.2 10752.06 559.26 1117.76 2943.77 1590.12 618.92 1014.1 1412.65 1424.54 866.21 996.92 1195.04 2574.95 2727.11 992.97 848.53 1348.87 2088.79 2188.84 463.34 544.86 1820.16 714.75 532.57 968.02 1647.24 2294.91 2956.41 1256.33 573.86 1119.74 1010.39 1326.87 1170.84 1639.7 1260.05 946.51 2062.99 664.94 1227.27 2090.38 1321.21 920.91 1455.85 1091.93 1337.3 1101.68 2476.94 2061.63 2063.37 2062.49 2152.46 2063.7 2060.98 1986.56 2126.39 Tebuthiuron 5024.76 6437.09 2207.87 8161.27 4883.51 7707.68 12467.51 4727.3 607.89 2145.05 2083.62 1492.87 4924.87 4633.3 6102.52 5390.21 3426.05 4289.29 9283.4 589.5 2816.25 5211.11 548.27 9835.73 3904.17 1837.65 9183.32 5823.1 3938.06 537.2 2879.3 11183 2419.94 3334.69 5182.06 2101.74 3043.3 2253.8 7749.27 5222.09 801.05 3123.65 5199.95 5966.27 3562.17 3076.59 3520.51 7508.3 7122.24 5563.21 1281.91 5167.37 7212.46 4430.99 3094.87 4241.64 5735.2 4869.99 3978.08 5285.78 8821.69 7013.11 3531.26 2288.65 5007.4 7532.85 1906.05 6711.37 6742.34 3830.5 4122.42 5302.49 1643.59 5063.43 8103.08 5003.79 4624.57 5009.41 5000.94 5098.18 4739.2 4199.09 4676.08 4550.25 Ononin 730.1 745.63 862.51 678.86 1072.08 1255.86 1154.12 4614.8 1390.04 3007.28 867.43 1072.06 1373.38 1506.98 593.36 877.32 1315.94 1518.54 1350.83 385.9 2640.65 709.32 504.94 1843.6 452.3 309.66 1231.54 1929.87 435 4552.51 810.45 1264.77 749 4821.44 4540.24 7805.35 6598.34 2742.88 3462.97 1270.55 2986.54 6986.66 3703.9 2808.51 8608.97 3785.83 2061.07 4018.49 8537.85 5053.81 8346.64 5738.28 3493.89 917.76 6835.68 2904.05 1859.47 2232.49 5125.07 5645.8 2892.47 3819.58 3850.85 5175.68 3935.85 5481.52 2355.73 5921.33 5128 6329.13 4887.15 5629.67 4035.6 2632.63 1662.04 5040.04 5566.93 5170.97 5221.39 5045.42 5031.68 5296.08 5032.75 4433.32 Etifoxine 18175.07 1899.45 850.92 5354.79 1455.36 2364.68 6138.7 5427.26 11553.01 6023.66 8871.09 6543.82 405.25 5447.87 9310.18 7490.81 4960.45 12143.51 6102.29 12621.85 8000.97 1605.51 7991.18 2808.22 7644.92 18119.09 8171.1 12838.71 10323.72 8340.36 19193.45 8855.64 5109.25 4285.32 7462.02 4105.48 3179.12 11323.12 7262.24 2614.15 9713.06 7811.46 9302.8 5921.88 4864.17 2645.61 3971.75 3108.17 2013.87 5737.73 4403.2 13150.21 7816.94 4335.62 4966.27 8818.36 828.94 4104.55 17228.67 451.9 8417.41 5831.13 5557.2 7357.57 8766.28 8368.41 4603.19 5128.82 1897.88 19729.32 5601.53 8666.91 4578.81 4612.15 6055.75 8176.94 9954.09 8071.55 7379.04 7346.17 8480.55 7316.98 8350.46 7518.26 (+/-)14(15)-Epetre methyl ester 2347.75 7464.41 447.46 1228.05 5370.07 3874.36 890.77 4001.42 3191.08 671.85 597.82 3583.16 609.42 1467.23 2069.15 1849.61 490.12 1561.04 702.2 1976.32 4371.14 1186.01 732.37 690.83 4096.49 2351.21 1006.8 992.7 4412.77 1212.48 1128.74 1019.13 5771.88 1440.17 1110.07 1714.22 2299 3219.63 1382.68 455.67 3182.68 4838.58 1169.68 395.13 4394.57 1798.75 3598.51 2971.57 1426.89 941.35 5138.11 3312.08 1122.93 553.91 3579.18 4292.3 826.98 1204.32 4551.33 3998.57 436.4 408.56 6340.46 713.25 679.56 6194.09 3297.16 460.66 400.33 2437.45 4226.48 705.22 1950.75 762.63 706.31 2425.27 2545.82 2352.07 2348.32 2361.44 2346.46 2420.26 2424.49 1967.54 (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide 6041.63 5627.99 8981.3 3922.75 3843.52 7720.23 14064.64 8843.14 6680.43 5307.76 9544.99 5581.19 861.74 10519.82 3612.12 2795.38 5452.48 5627.22 3544.66 557.45 3326.99 827.65 8665.5 7295.18 699.38 3345.04 7300.03 7336 4214.67 4521.22 7372.57 3731.61 3845.71 5449.2 9337.3 6585.23 6751.22 5433.84 10311.07 8207.3 5686.03 8473.93 8662.94 5743.72 7954.62 9104.72 2922.79 7667.43 5536.13 6247.94 7354.62 4835.01 4546.42 5799.78 10880.11 6781.18 5190.72 8637.77 4340.79 12492.04 8514.85 5411.71 7256.01 6362.83 6382.26 5568.28 3950.52 8381.15 7991.42 7775.9 5212.05 13796.53 5728 6278.61 7310.46 3441.39 9954.7 4777.65 8515.97 7764.46 8639.05 6014.19 9899.7 5600.9 5971.85 6071.61 4477.84 5182.03 7668.4 7557.97 6180.71 5554.91 6813.84 6744.67 7644.69 7855.08 6570.22 7785.54 5909.38 6326.87 6533.35 6788.14 7117.95 6921.34 6798.2 6536.93 5815.87 6499.97 6783.4 Nagaba 18889.23 9178.73 9885.29 3764.42 7624.6 3092.58 10992.89 5985.17 4963.88 8573.05 6617.69 32592.49 15538.87 10735.04 15044.19 38198.92 3553.44 6958.56 344.32 32373.78 14200.76 43797.83 7187.67 8652.02 3217.54 8559.49 6958.71 8029.56 15290.26 34801.74 13297.07 12195.94 3785.07 11909.85 7634.74 44300.94 8524.51 4765.57 7096.44 12727.48 11085.11 126926.56 3294.8 5915.45 1044.28 25136.78 28610.56 596.94 19635.89 43941.65 27250.65 5344.68 7462.35 10027.74 2326.98 8305.66 6861.49 6073.06 7117.02 5997.14 2576.78 7547.31 11127.02 2716.57 5165.02 15406.99 3305.05 8582.55 7492.09 8614.13 9335.8 10070.69 8280.71 4723.07 2102.5 8323.1 3422.25 4519.71 3723.86 6440.69 8838.27 6007.24 3412.71 1271.14 4582.99 5316.85 1132.04 3625.97 6974.4 1477.27 6516.0 8889.28 7053.12 6401.56 5593.86 10148.12 5827.4 7059.64 7646.21 6265.64 12877.13 12900.2 12875.74 13082.2 13140.17 13024.29 13027.7 11712.02 12947.78 Ganoderic acid A 62445.45 60676.2 4549.63 41166.26 64761.4 76533 66253.24 67620.95 68419.84 47972.37 51960.3 67089.92 63604.23 55059.71 15450.98 72216.47 4490.2 63293.25 115064.73 109097.98 58531.75 43581.07 51503.82 54453 70650.36 74340.8 56786.23 57556.62 94609.55 57292.26 97752.81 115760.63 45362.87 70073.95 60294.81 36775.84 23851.15 52529.55 46826.74 55585.14 87251.88 95129.68 65089.41 46579.94 97665.21 84620.72 75278.01 77422.51 71997.29 114700.06 51482.37 32212.45 42670.69 71262.18 17428.97 61307.64 23497.88 25421.5 41182.8 20360.36 38348.55 26296.95 64312.24 55637.26 38663.24 67987.11 79616.49 48143.34 51154.32 55779.48 37623.03 65393.83 50748.38 46911.53 39523.47 68800.73 67405.17 67937.17 67914.21 66981.73 66961.07 65387.34 67890.73 67370.16 Beflubutamid 2472.65 3054.82 1539.87 1965.82 2765.2 5454.01 13858.38 4919.7 6420.27 8809.81 3483.12 6469.96 1117.21 2942.4 4122.27 2962.69 2565.99 3741.03 1012.57 4278.04 5322.13 7896.66 2903.27 2411.17 1149.03 2755.96 1680.99 3433.59 5094.11 1297.4 6820.93 12308.04 4011.32 2331.52 1207.79 4940.17 6109.32 4832.93 1424.26 4170.78 3837.5 6529.34 1463.3 1379.65 9765.94 1856.65 2740.11 991.95 4950.91 5575.78 5694.29 1254.22 1416.91 794.89 3685.36 3582.03 1689.19 686.64 1196.43 2038.08 633.35 1636.11 2603.4 2186.12 1867.06 926.79 4795.07 5184.06 2503.03 1656.1 4979.85 2386.48 3795.03 1124.5 1134.65 1985.75 2013.83 2276.12 2085.04 2146.72 2105.17 2044.22 2087.23 2138.92 2-Hexadecanoylthio-1-ethylphosphorylcholine 648.64 18667.99 585.18 20785.39 47156.83 782.69 7990.51 3274.85 1581.56 1872.65 1254.29 3836.31 12518.68 11726.91 38580.62 862.61 18168.87 27397.24 23255.14 37318.52 1031.96 682.75 788.5 16670.51 3711.05 718.05 15351.53 1188.09 2480.12 1292.29 40857.26 29746.62 1181.54 4320.63 14235.64 11785.99 13174.38 3042.8 450.94 19860.61 20991.81 12659.65 20004.63 17648.78 11388.72 13407.65 33894.02 25497.35 2799.95 36142.04 1546.83 9043.9 5257.64 16008.34 34690.39 41327.2 9405.2 18652.85 31959.98 18386.22 15663.53 3097.45 33191.47 9545.79 16854.61 21719.02 24308.79 6085.73 33854.56 44822.69 10314 17075.34 11077.67 27660.83 17703 17893.61 18457.55 18442.39 15345.21 17907.07 17965.52 17449.79 19133.44 18422.85 Monocrotophos 8830.9 8749.62 6015.24 9185.28 7892.63 5372.04 2457.84 5901.99 2600.06 4540.1 5497.2 3974.36 4063.31 5820.26 6541.4 2868.58 6465.51 9235.76 4347.33 7782.52 3874.56 3694.48 5944.2 8928.36 8130.34 8315.49 3677.4 6514.07 8704.46 13500.36 7408.47 4907.95 5451.07 3064.1 8954.31 7870.46 10217.97 2961.95 5890.24 3883.94 9140.52 6751.82 8270.57 7503.5 17415.96 4829.19 6855.01 17247.15 5068.64 5529.86 27621.8 7796.32 6033.45 6358.03 7582.14 6417.29 5399.28 5181.52 3800 2262.16 4776.59 6834.98 6572.74 7373.34 6850.39 7028.34 8148.09 6340.45 10689.46 8492.5 11482.47 5835.97 6313.21 15174.37 8404.63 5086.39 5195.59 5377.15 5053.52 5213.66 3701.22 5358.6 5406.27 5185 Phenylalanylleucine 8875.24 21235.34 52345.4 52689.36 16702.27 8457.08 22865.63 12886.88 38922.98 19113.54 24070.99 3580.46 6786.02 11571.9 4223.31 13330.62 11733.49 1925.7 9951.55 11606.7 39398.95 5117.32 3600.63 2500.93 2117.71 9823.37 12100.81 8604.51 6351.93 9126.11 5581.95 8509.47 13466.55 32271.23 24218.65 7655.17 15363.18 3465.04 17111.9 21408.9 5473.72 9810.79 63559.15 14232.02 22296.22 15408.66 13197.12 7974.94 16801.94 6843.84 33686.48 30837.82 21799.31 30543.47 12372.83 33884.17 17802.44 10750.44 7429.43 15552.91 17564.68 18398.83 14175.94 45868.55 29162.77 27019.19 46581.88 14719.01 1854.93 5864.48 21493.98 14827.57 14732.23 30935.09 22129.58 21691.57 19630.16 19960.09 19764.51 19965.35 19848.66 20193.11 17544.23 19704.29 Unoprostone 38093.95 2132.61 16657.73 17100.88 72466.2 28898.5 9387.38 90197.2 34290.36 12442.14 1683.71 1754.58 16820.37 2238.12 33003.91 29382.83 19691.93 44045.38 36203.22 42919.47 43356.96 17348.48 18566.03 24978.17 44484.19 29992.01 37377.63 48297.9 58962.45 29878.32 53435.09 58792.83 26054.84 33358.73 32443.33 84681.83 33260.56 21124.77 49690.25 9440.41 40776.14 50596.59 26661.18 18081.2 48874.86 24109.25 44431.73 43371.3 41163.3 41620.8 46243.81 18518.17 31859.5 24098.81 51404.77 32247.35 17712.74 8969.51 41831.11 8579.16 21222.94 21616.29 44041.82 42557.29 6049.48 43408.49 15596.02 17114.05 14296.3 44943.52 29358.45 29953.56 21247.61 16779.6 26074.58 40612.38 43260.14 43018.14 36694.65 41223.76 42585.29 43422.99 41817.65 46279.67 Biotin sulfone 21340.92 727.99 749.65 1604.94 25973.52 1942.33 4162.15 26078.38 27368.38 7128.68 18120.34 20164.06 8310.79 8227.11 15414.08 24693.53 6575.4 18945.85 4346.38 35506.87 19018.8 1631.19 5147.86 12747.82 27510.69 5644.74 14181.06 14714.82 10046.81 11548.82 16763.57 21010.78 6870.82 7814.78 6132.72 21914.51 18919.37 2660.35 17666.56 5401.98 33823.72 34149.81 2327.8 5069.37 20350.64 13655.67 8574.96 5962.76 17011.51 11916.57 43550.07 5216.93 4308.46 15430 20833.76 3379.95 1544.39 1130.35 18106.48 3146.28 13948.57 702.13 7884 3951.75 2027.02 31306.12 17324.62 12908.43 14719.7 19035.7 6384.94 3015.82 9445.09 2217.97 8546.25 51109.2 46320.58 55820.94 27088.03 30018.51 46429.06 59570.69 41038.61 59963.99 72900.0 57787.8 64834.45 52413.65 41817.16 50354.76 40456.49 49040.01 52736.05 43075.69 47525.85 58087.13 64418.56 49977.07 51976.42 65932.62 12923.07 10885.19 12340.8 12280.96 12336.34 12211.43 13331.9 14055.68 12916.37 1,3,7,8-Tetramethylxanthine 182.93 276.67 464.78 726.57 282.96 1417.78 2149.97 179.74 288.66 465.44 660.24 168.29 606.94 762.27 160.78 993.62 181.25 306.19 146.28 531.74 909.62 1134.73 644.11 253.08 368.36 526.81 283.18 467.65 944.51 518.42 216.47 1036.45 244.26 424 481.32 530.06 744.99 527.66 396.47 478.91 1139.16 661.12 237.22 577.71 669.81 861.29 229.48 343.05 767.81 764.76 521.47 772.96 320.81 398.61 178.3 311.61 368.61 389 608.42 567.92 278.75 637.52 669.46 420.22 122.36 385.1 928.15 426.66 707.71 424.01 830.69 681.57 522.23 472.39 842.93 2201.04 2166.23 2107.47 2237.63 2200.33 2152.29 2134.73 2202.37 2150.37 3-Deaza-2'-deoxyadenosine 10360.88 9131.76 11252.16 9757 10730.63 6039.82 1432.59 1946.12 11298.76 10661.85 2704.69 8839.37 8488.43 9793.26 9004.92 8594.53 9858.03 10774.62 10099.15 8434.94 4630.8 2490.96 8408.41 9844.41 8113.76 11220.72 10779.07 10058.3 11213.04 8714.77 6798.15 9547.52 7811.64 7441.68 8012.53 10468.67 8959.32 5564.01 9447.03 7488.7 7570.38 8713.16 9681.97 9552.23 9185.63 6528.88 10852.17 9745.79 6182.5 6699.17 7109.23 7950.96 7944.69 7240.07 5057.38 8838.12 8806.27 8085.47 8407.41 2998.61 8844.08 8425.52 4498.88 5827.21 10924.5 7604.02 9111.09 11054.47 7235.44 10419.2 10394.92 8219.66 7045.63 7764.59 9066.2 8939.55 9199.15 8939.42 9250.26 9115.31 9057.33 8749.02 8931.87 7845.87 Terameprocol 695.36 1111.48 867.28 1072.82 2150.49 1184.75 924.31 5092.03 5819.24 1817.03 725 4501.28 357.67 1098.1 2068.98 726.82 576.52 2500.96 870.67 2298.15 928.61 1273.8 618.06 261.72 2138.96 2266.11 2352.43 1041.11 2474.4 496.12 269.77 843.87 1870.31 903.3 1882.98 3525.12 3351.54 384.64 1005.54 4555.23 733.67 2017.79 3100.79 833.22 1929.54 2356.78 1314.89 1071.34 1377.5 1181.61 4207.13 1174.96 2492.91 6214.5 3249.98 1901.89 1155.28 3159.44 2426.6 9228.19 376.45 479.58 3069.82 3596.57 3900.09 1763.55 585.53 368.1 521.34 6087.51 4878.69 1045.52 1773.85 4258.33 1399.95 3551.05 4731.31 5403.12 4311.88 4597.06 4061.58 2837.1 4017.39 4475.29 Phorbol 12-myristate 13-acetate 94115.79 143138.84 111158.64 114568.25 126044.32 131769.1 83932.07 64802.57 85937.84 91737.32 87968.42 145940.85 226921.88 152652.42 123314.26 136224.11 119490.14 172275.96 141824.15 190510.41 167783.21 158585.73 150927.84 65688.75 75231.32 127898.72 73861.94 91823.01 121071.09 133400.09 143693.05 207868.07 122661.03 141144.53 102992.42 142924.73 138531.76 162879.13 147739.61 121626.15 141637.1 139860.95 107926.69 89462.12 121933.34 68533.45 106312.45 115606.61 99370.4 167296.23 117947.81 130730.9 97388.12 122435.52 86407.96 144712.38 126518.99 82828.7 81589.67 92422.89 85332.21 87377.01 101589.72 99825.27 82874.45 102649.57 138215.39 95990.94 92143.09 86759.72 104137.75 102843.68 87843.6 167883.62 135314.34 7140.93 15778.97 7660.89 7854.49 8152.4 8198.54 7914.79 7798.44 8718.41 7312.02 7455.66 8013.84 7714.03 7045.44 8203.82 6386.22 8487.91 7857.98 6191.05 9383.38 7843.15 7600.13 8659.32 8950.04 9129.67 128006.74 127058.93 129939.09 128138.04 129162.88 128106.95 134805.44 130039.66 129973.26 3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide 865.09 1404.11 674.74 1261.69 1569.12 877.87 2585.17 1671.37 1878.65 2675 1255.86 1918.74 3711.13 1513.99 3037.13 4429.09 1435.53 835.28 3200.83 760.08 1416.14 1125.46 3297.28 1011.73 1508.78 1365.91 2021.99 556.03 2241.5 2159.31 952.19 3551.27 1427.81 1977.35 1837.1 1843.5 923.21 721.39 1228.38 1964.21 600.87 5671.58 1092.53 2120.6 584.71 700.19 3080.76 1921.41 2028.39 3207.01 2542.7 1905.05 1655.08 3370.34 1146.06 1242.77 1520.82 1762.42 877.73 1292.01 1220.76 755.43 870.29 728.97 909.23 1288.31 4517.34 2322.65 608.53 849.47 725.28 977.91 1210.62 2907.67 3535.56 1327.39 1829.51 1524.49 1426.09 1484.68 1587.38 1542.86 1272.47 1294.46 Pro-leu 933.5 3733.9 4563.29 3558.81 8905.18 3906.67 4836.15 6880.53 8199.6 3866.75 1456.98 4298.42 3178.57 968.23 8847.96 4571.84 3847.18 4134.91 2705.99 3443.29 3165.83 1670.36 1037.34 3388.7 6046.13 7203.36 3277.29 733.97 6472.97 957.62 2954.45 604.26 5164.15 2749.42 4058.4 4630.54 4672.36 1452.91 1600.59 2786.02 966.24 2145.58 5590.51 1404.46 1944.71 3201.69 3311.3 1165.07 966.22 1275.54 3665.29 1869.71 1937.45 4894.09 3942.98 4284.38 6072.07 6816.59 4035.11 8895.9 3613.62 1717.15 4301.14 8104.21 5762.44 2569.3 1910.69 671.84 3092.16 4138.04 5963.6 1424.01 2145.22 6269.08 3723.25 4015.55 3734.2 3845.64 3826.43 3659.84 4008.68 4004.67 4057.98 4032.25 4-Methylumbelliferyl glucuronide 3822.65 1897.17 7484.76 6343.9 4737.82 5831.85 6485.94 4921.89 4509.44 6165.98 6800.93 7266.05 7144.78 7615.81 4740.81 10077.74 5631.25 3530.3 10499.32 5284.12 4166.3 4059.05 5872.63 9119.04 5578.93 4871.56 10401.58 12660.76 5396.31 4820.17 5899.23 17404.32 2398.6 9203.08 8863.99 5559.41 5060.81 4221.67 10669.32 9210.59 5516.69 6921.58 10046.1 7782.41 5730.34 8147.24 6043.63 11258.9 8632.38 12540.5 4145.39 3203.52 9923.58 10031.96 3673.88 3961.87 5905.87 4885.67 4960.54 2371.9 5848.34 5630.42 1854.53 7945.67 4474.51 4773.81 4925.02 9205.11 8748.51 5037.58 3460.29 8157.5 8922.09 8163.43 9104.23 7778.42 7008.18 7575.2 7494.08 7699.68 7749.47 7826.34 7460.19 8985.9 (1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone 2042 4246.51 32927.97 10662.82 5962.71 21273.45 10615.16 3667.6 4483.09 18183.04 8288.73 4842.14 10204.2 922.82 6627.94 3046.34 13736.98 2390.97 12148.97 3481.42 1929.4 24940.16 18124.46 12468.36 1070.36 15089.54 8631.9 6943.65 1318.82 7280.87 2505.36 12123.16 6168.59 36140.48 39047.67 3485.8 1285.24 32968.88 3666.77 4535.5 8039.77 1983.92 9521.36 12420.92 4111.11 2298.54 8806.62 4208.64 686.06 1091.48 1834.22 32127.93 14960.05 4482.09 2280.66 32086.63 17970.23 24859.66 3893.27 52699.45 13777.19 24359.03 1515.08 25972.03 5161.31 794.27 4088.28 6107.83 7036.08 4112.5 4635.21 32364 6408.55 22476.86 8299.46 11594.16 11191.49 12141.36 11170.38 11195.57 11446.04 9655.81 11150.31 11647.53 Ile-Val 5460.11 12691.14 8123.31 2579.44 27217.44 14537.41 6855.68 32041.15 26794.65 19323.65 15350.2 8249.36 587.95 1517.59 34934.39 11910.84 4376.21 26920.35 32284.46 23591.26 2234.46 16328.98 3153.7 6601.53 27260.69 27149 20155.62 12376.14 20621.21 696.82 6380.44 23109.66 18893.12 7464.69 26519.17 24416.98 20041.9 19686.01 666.94 48440.62 2009.66 8633.73 22474.56 1801.01 17230.9 1353.1 16562.19 1006.66 2460.43 12948.59 9133.04 8808.93 31609.89 53400.66 17317.58 17942.89 7349.63 36916.86 20002.39 18883.2 4729.56 1750.35 22797.64 48611.78 23785.74 17929.25 4194.38 1060.1 3350.86 27626.18 26102.14 11108 26427.18 32554.74 1285.94 17329.38 17668.41 16972.25 17328.19 16925.99 17330.09 17215 17256.66 17214.22 TG(8:0/8:0/8:0) 7476.7 9415.3 8330.98 6632.3 14568.61 13231.94 4794.64 12703.34 8311.85 7109.58 8726.4 8831.01 12575.73 9207.47 7288.43 8682.37 9326.23 9357.9 10583.86 11604.73 14003.91 7402.33 5806.53 4867.25 5933.91 8149.1 6295.81 8122.23 9900.91 8821.45 12166.19 14285.04 5613.07 6207.22 5468.72 10109.36 7129.87 9601.45 7313.11 7710.31 11834.72 11928.61 9886.38 7598.35 12014.36 1166.93 8791.75 10071.01 6096.41 18091.94 10615.83 9048.98 7740.18 10671.68 12751.75 8609.98 9156.43 8007.64 7580.53 6537.76 7158.8 6831.83 8879.98 6940.26 7213.66 8071 11135.65 9446.03 8257.53 7465.17 9807.82 8162.69 7806.21 8232.62 9123.52 2920.48 2286.13 2833.02 1806.96 2027.61 957.72 2267.78 1490.9 529.18 1264.98 1799.99 1278.22 1910.37 2337.91 2382.58 1887.59 2509.66 3271.94 1826.68 1356.33 2355.93 2609.9 2740.99 2936.47 2366.25 8445.63 8449.61 8615.15 8604.88 8963.11 8606.22 8459.33 8461.51 8609.73 Methylarsonate 7443.91 11000.23 10697.03 10721.3 13476.11 13116.19 548.93 20644.52 6893.3 1330.85 2120.74 2557.38 16982.47 21605.38 20946.13 8112.52 19658.25 12555.5 11319.03 20464.76 5213.7 7291.47 18362.45 16353.44 16053.11 23154.39 21637.39 13301.78 14085.52 20340.16 21060.16 24994.11 5510.21 13898.49 26289.43 28297.81 27000.61 23070.47 25631.8 22983.19 18104.23 10669.65 9264.49 17361.36 17175.54 16832.46 18621.21 17575 17978.45 8598.27 17411.98 18986.48 17176.04 19447.23 18298.64 19408.04 19520.15 20295.82 19619.65 18706.21 18226.48 18817.92 19156.84 20166.29 17501.08 20701.3 19778.54 18392.29 20048.33 19308.22 6175.78 18045.96 17881.69 18534.06 20053.04 10584.33 17440.54 16547.25 18043.65 18133.95 11262.65 12237.02 18549.58 17186.18 16829.83 17115.43 17450.69 5730.71 6593.54 6253.47 21015.52 7705.33 16705.77 11033.85 11528.41 4797.93 15076.04 16771.09 9639.86 4319.02 19014.53 19050.64 18250.21 18872.18 18954.5 18949.51 18965.54 18974.54 19005.98 Tyr-Pro-Phe 2782.8 3383.51 2686.07 657.38 4957.19 24520.71 727.56 9152.61 5911.06 6538.06 2567.57 3357.91 1013.17 6214.88 24363.85 3664.77 3734.14 24032.95 16023.82 2492.54 11166.89 20560.13 1429.13 6269 10613.92 16885 6696.26 1841.21 5569.68 848.17 5960.18 9728.21 14865.33 2062.86 3026.54 13686.59 16092.79 11131.97 3899.63 3034.34 3530.79 2156.71 10298.38 4970.52 11471.39 3183.6 9402.11 10211.89 3513.19 15405.59 3247.8 15889.09 7352.45 593.91 13165.37 17826.25 1384.04 7433.03 17427.79 2270.75 7834.49 2258.08 14711.55 11877.55 8901.35 6246.24 5480.84 3870.37 3020.99 19578.79 3473.6 12784.84 9197.06 3594.29 640.93 8707.41 8728.49 8880.9 8695.41 9047.26 8685.56 9688.86 8749.73 8106.46 Phe-Gly 5192.28 4660.28 1615.85 2051.48 2614.97 1244.74 823.72 7324.8 7553.86 874.38 4073.51 5244.7 5751.09 4253.09 4829.81 3467.9 1893.11 4272.23 8742.49 7860.25 7537.4 2373.64 1907.54 4001.05 5722.71 4752.85 3413.8 4707.05 5872.33 3923.84 9137.1 10758.79 4324.28 2748.79 1571.79 7471.78 2698.41 781.53 3214.03 2337.51 3213.07 9880.1 2274.53 1988.31 7274.69 5492.87 5133.73 4658.51 3447.37 9643.31 6350.9 4628.29 2002.84 5105.16 3204.4 1864.3 1223.16 1371.63 3592.25 2066.42 1156.33 2119.23 2970.66 681.96 1371.53 6801.85 5057.04 756.14 6303.46 6215.22 2517.01 3873.78 3681.12 714.34 2070.08 3505.27 3915.36 3506.2 3840.79 3838.93 3595.31 3765.95 3840.96 3886.62 Marrubiin 5979.51 1186.23 5959.03 11194.02 76701.78 76190.25 45578 5218.34 1708.53 3132.78 2916.72 5566.76 22077.03 2463.46 2111.71 19749.38 9498.97 2286.46 1852.53 1073.14 2408.99 1190.72 1797.51 3366.53 1809.5 1962.03 3737.82 2447.51 1788.03 1817.65 2514.61 3524.45 809.78 3239.84 5800.89 1464.01 1328.49 2521.91 1427.57 1385.32 23665.4 4168.36 2259.56 2998.61 829.93 28856.88 1060.65 1259.73 939.35 4642.92 14878.65 1314.79 1656.25 4529.49 7728.89 1880.39 8599.86 1563.16 2280.31 11468.39 1525.38 1772.76 1011.73 5650.2 1755.97 1743.13 1462.47 2381.39 2206.45 2097.92 2515.72 1890.15 2265.49 4498.81 2758.72 16002.11 14054.37 15050.14 16005.91 18281.21 15968.39 15043.43 15291.57 15598.32 Neostigmine 3366.54 3610.03 4868.4 4088.67 7189.84 6102.51 1661.75 3443.53 3445.15 5421.27 2812.6 6096.95 5298.89 5140.85 6006.18 4703.71 2830.89 5694.64 5771.83 6410.79 4461.42 4757.82 3230.69 3789.73 4235.25 4314.24 3265.88 1863.15 6818.95 1604.33 6027.28 5757.06 1956.1 4332.75 3439.51 5385.71 6048.71 4183.54 3301.24 3477.34 4858.27 6457.09 3961.76 3710 4762.85 4671.64 5268.93 5485.15 3657.27 5393.47 5857.2 5026.77 4196.15 6014.14 4077.37 3871.41 3589.81 2753.45 3511 4876.77 2162.3 3734.35 4236.02 3800.7 4543.6 5992.05 2358.8 4648.69 3785.02 2764.48 3262.74 3349.46 3501.02 4253.53 12555.36 5308.91 5320.42 5319.15 5306.98 5473.71 5309.46 5310.27 5459.48 5545.8 Ethenodeoxyadenosine 17539.68 16939.14 40059.22 26896.57 7559.44 7600.95 18534.27 8671.66 9338.52 8928.96 19908.65 17343.92 21102.66 16922.73 18495.81 22262.35 9363.14 25055.97 4164.7 5877.35 11428.06 4450.52 18886.34 15059.09 14698.57 5591.35 11197.95 12413.37 2923 3182.1 15267.19 4386.35 4341.56 19785.14 18091.85 8981.51 18539.1 5169.89 26650.03 10269.46 1354.99 3958.08 14377.65 34181.19 19356.48 8958.36 13256.17 7854.56 8249.01 5524.99 12605.18 17911.81 16003.83 17416.2 12250.88 19933.02 35937.66 14083.11 17216.93 837.4 14080.88 12365.38 15548.6 22088.82 12863.05 17874.22 10263.39 20477.72 17380.02 15356.44 2707.57 17557.49 27799.14 17997.38 30785.98 22152.54 21319.76 22153.68 22183.22 21691.61 17529.07 21345.72 21790.43 21528.33 Carbinoxamine 3851.19 2886.67 3803.86 644.56 2218.18 1383.94 2532.08 3338.43 3944.23 4302.33 4467.41 6685.18 8311.5 3620.58 2921.87 5764.86 3912.99 2365.68 5658.39 4825.95 3907.68 513.67 1226.55 2324.28 3766.17 1568.4 6840.95 7938.22 4637.98 3472.03 3453.55 11065.97 1562.05 4447.92 2325.61 3316.49 3693.16 526.93 3298.38 1437.26 5476.66 5471.29 5047.52 2449.35 4637.84 5536.16 2828.05 4060.19 5547.69 9407.81 1760.66 2902.7 2775.53 2957.13 1340.64 1877.25 1796.44 555.38 3947.98 2123.44 3012.74 2987.04 1693.86 3056.79 1327.74 1525.67 3577.76 4408.73 7465.18 3007.05 1234.65 3800.82 1668.85 1149.31 6786.29 3775.81 4155.89 3784.21 4085.36 4283.87 2542.95 4976.89 4126.36 3727.39 Mepenzolate 7256.25 18514.15 6065.31 600.69 6922.4 28250.01 12439.77 7291.67 4331.98 6259.95 3109.89 11399.47 8531.01 965.4 42013.99 5903.12 2090.61 4955.36 10310.26 9095.07 6885.38 12152.22 4310.3 8015.62 6807.85 12280.46 2672.49 1597.15 3025.38 6286.39 6122.06 14075.05 6686.05 4427.45 9382.85 6392.66 6388.09 17281.02 5247.79 460.1 6402.31 11719.5 2839.17 4204.37 13042.18 7479.7 8480.99 6409.47 13144.43 12013.27 9948.99 4963.22 3010.69 1555.16 8824.82 5793.06 5241.75 1704.1 13244.03 15375.5 665.78 1603.79 8024.67 3563.7 1773.22 9083.49 8678.98 5930.39 534.47 5059.7 3970.24 6757.38 6857.91 2559.48 16161.37 8999.73 9519.04 10054.41 6772.68 12044.08 9744.16 9352.74 8036.71 9993.64 Ginsenoside Rg3 2097.68 2257.74 31791.23 5277.33 4811.67 5063.86 4315.89 9004.97 13184.3 16133.28 6712.71 2784.97 1492.84 914.95 2453.41 617.12 12823.39 2727.22 3453.53 1028.52 6737.22 6765.91 8763.45 4430.83 15274.91 11666.76 21738.24 9021.96 5016.7 8714.04 13891.84 5756.99 10564.14 5073.59 25155.22 11097.06 18735.7 30642.22 21777.97 21162.05 6749.37 16074.89 20339.49 6602.29 11236.75 6249.48 13142.2 3823.48 193053.63 14126.34 16636.4 16656.21 6415.5 8894.92 13560.88 10581.96 5278.89 35880.32 11082.69 15791.78 5219.19 8464.42 27246.62 15014.07 18352.4 5777.96 43704.67 30503.66 22311.33 21205.99 16790.74 7386.55 62021.54 73605.23 28841.61 2540.64 5595.15 1926.49 3009.55 3021.21 3510.44 3386.89 2450.19 2761.15 3379.49 1429.8 3197.39 2074.19 3139.9 3345.51 1503.77 3336.51 3538.73 3718.3 2995.96 2525.99 3718.56 3109.5 3693.35 3350.24 9501.87 18963.05 19007.09 17080.89 16798.46 17164.8 18684.14 22246.33 17071.51 Thymotrinan 459.74 407.96 877.52 402.72 1624.37 979.02 20002.8 1351.83 768.25 901.83 712.28 630.88 320.63 918.59 688.71 390.71 530.83 496.06 854.47 368.08 605.88 470.5 1004.73 1031.44 657.92 575.94 1003.48 238.02 956.09 264.28 263.27 554.44 628.23 395.63 305.92 1217.65 825.67 479.69 709.57 449.07 10056.1 1279.12 792.93 681.67 930.05 3477.36 570.97 1105.11 755.33 413.03 1329.68 325.77 1464.64 818.08 2582.18 1489.48 996.56 599.98 404.66 726.66 1266.07 288.67 223.71 927.51 182.87 1153.07 415.78 232.25 266.08 823.17 541.84 288.03 524.8 1747.49 887.86 2489.04 2837.01 2966.48 2688.75 2965.59 3028.43 2777.37 2729.67 2962.23 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine 2411.29 2447.03 2119.72 5522.98 4773.43 6174.66 10478.89 12267.02 668.64 6666.16 5874.46 4662.19 2427.86 2674.95 2095.63 665.28 956.62 2315.02 3168.47 636.21 3911.86 1672.46 2380.53 7441.95 3445.49 553.26 3551.92 1052.55 3741.18 4840.68 2892.66 4658.58 3447.99 16102.67 14555.41 14733.58 15261.47 15889 13055.6 15538.18 11956.15 20601.43 14927.26 14393.04 15451.2 14580.6 15093.45 13670.84 14740.7 21062.6 12148.57 7054.15 10801.89 4422.68 7099.51 4196.64 4279.95 5101.81 5117.53 7518.72 4673.52 6521.76 6976.84 5502.4 4826.77 3965.94 3158.92 8152.82 10586.29 2911.43 9840.94 9959.79 5866.33 21941.57 4479.72 2014.41 2045.14 1375.86 6891.08 16551.4 29147.07 35635.36 39460.04 16950.43 24587.73 36599.86 41164.55 53254.44 28042.24 16920.16 29908.9 25300.93 34225.31 14891.05 14641.76 40873.75 105863.76 5309.11 5427.86 5325.87 5237.58 5305.41 5307.54 5304.42 5390.79 5391 (D-Pen2,D-Pen5)-Enkephalin 4009.08 1026.28 271.89 587.5 4135.55 624.82 1200.34 14910.09 10209.73 1604.8 237.3 8410.29 1282.5 834.26 531.55 3262.45 2016.11 1023.76 270.97 443.27 4176.2 457.01 334.27 1040.83 13330.56 1213.47 1963.33 1557.97 16686.75 10074.16 2455.12 7868.83 677.14 302.54 341.53 7010.66 5926.88 400.16 2372.73 2562.36 5857.47 12386.86 612.37 920.62 9953.97 2473.39 7298.87 1157.25 18171.67 12619.26 11367.72 565.87 1126.65 2166.34 9095.55 980.14 382.39 670.9 4600.36 799.69 966.86 1241.93 653.39 989.44 1049.44 6682.33 2513.27 5140.9 5747.35 5735.98 6010.26 2927.22 6158.03 742.1 2338.18 5806.73 5560.15 5646.07 5927.42 5633.27 5629.38 5685.4 5792.16 5819.15 Picoxystrobin 2264.37 2361.29 2589.37 2235.84 655.79 989.07 1259.36 1278.17 480.26 798.74 383.94 1277.92 2486.69 2300.54 1434.43 811.46 2307.87 1230.85 2249.08 1032.37 534.12 1548.36 1624.33 1765.39 859.43 899.64 1515.35 2641.42 1687.51 827.25 1335.14 967.5 624.71 1451.42 2883.91 794.91 978.6 415.04 2579.78 1814.89 634.74 1150.87 1795.91 1719.53 454.41 885.47 807.32 871.3 366.45 1467.02 2466.97 529.43 1242.62 2140.95 1158.08 784.12 2112.56 2556.77 752.96 1055.22 1857.68 2446.99 1371.07 3470.37 2044.94 1982.54 998.76 1398.89 1187.41 1130.85 838.12 1454.71 2555.87 3845.54 2227.53 2149.12 2038.3 2112.47 2144.5 2164.23 2145.33 1375.86 1944.84 2074.04 Carmicheline 475.07 1724.27 1036.02 1326.65 2714.22 2858.35 2406.84 973.91 1569.84 2223.19 1008.09 2577.85 351.78 546.59 881.42 505.72 1203.7 6738.16 4110.87 15916.4 499.33 6553.7 533.77 430.56 1349.64 346.58 509.71 1300.7 8611.34 1977.17 3668.4 3336.83 1073.07 831.26 1184.27 3520.61 1308.3 1703.78 709.35 1011.39 4073.64 602.45 1334.69 674.47 5217.47 327.49 6124.09 4483.6 2890.47 3587.83 634.21 1543.19 765.9 1063.84 1197.42 331.05 740.13 510.61 1031.87 2044.87 1023.6 1322.02 575.35 1409.87 624.09 1697.1 771.05 581.16 1005.65 1017.22 2885.88 1251.12 917.71 325.8 352.76 2005.85 1980.62 2114.05 1982.2 1973.87 2034.38 1737.84 1998.25 2128.02 Drometrizole 65837.25 52343.24 90893.05 109569.78 72839.38 83153.29 131700.03 71938.89 62538.95 91823.9 130790.68 115442.36 102898.99 108299.94 59820.97 149532.63 88750.88 46116.93 145078.37 71394.39 57804.79 38832.25 96342.46 126652.9 79579.48 60828.48 144954.31 173265.57 69758.35 87151.74 55458.41 176309.4 33663.99 124215.74 126595.3 62713.72 56316.7 52128.8 118406.24 107187.81 65896.86 102992.87 138799.97 92680.88 64475.62 101441.99 57262.47 114521.77 103454.94 174290.12 69568.34 50252.18 114841.19 152036.77 49634.69 45726.9 59910.55 82544.57 50331.96 33428.85 85500.71 83572.6 49656.13 103193.65 95899.55 65601.84 70844.27 102968.77 110039.35 61307.51 48578.42 104497.21 100732.42 138415.78 121282.73 5053.47 6040.2 4941.51 4765.13 4591.3 4917.07 4582.15 4776.73 4374.11 4455.46 3142.38 4457.5 4003.69 3868.94 3889.4 2958.08 4136.76 3973.35 3927.84 3517.14 3875.98 3741.6 3937.91 3970.96 3467.54 87013.94 86882.6 86821.46 86879.33 86883.52 86665.88 86813.55 86238.59 86386.05 Anandamide 0-phosphate 12843.11 10413.9 15614.58 13401.15 8766.16 13286.88 14570.84 11375.01 6431.32 9125.99 5745.23 5087.14 5673.3 7516.51 6923.03 5339.51 3337.03 6133.01 3860.47 6190.89 6510.46 4959.01 1932.69 9217.57 4575.87 8232.86 7985.5 6322.06 12344.51 14196.63 6586.91 10223.26 4036.65 4071.62 5384.76 15249.75 2934.73 2774.42 1883.93 7209.78 9494.1 9333.34 5375.79 3111.36 14050.33 2653.2 10809.56 13135.65 6450.34 2021.75 15896.23 7487.57 1440.91 2615.77 4408.43 2648.72 2678.89 1607.67 10146.88 5980.7 2371.77 1441.93 3873.75 1905.94 2929.77 5848.35 6093.89 1275.71 7277.63 5465.35 7431.93 6305.64 3743.54 1562.45 588.51 6250.34 5928.94 6015.27 5885.61 6241.04 6145.44 6639.21 5069.9 6199.78 Diethyl adipate 2565.19 8037.96 1155.85 2482.77 8878.5 2012.7 537.09 16794.58 5874.55 1831.88 1821.42 4469.1 5590.06 3586.08 13806.15 6973.85 4353.24 17699.18 8537.34 10345.41 9749.71 2353.2 1225.45 6293.49 8089.28 1974.78 3317.84 1937.67 9034.85 1610.23 12909.67 8973.41 910.54 965.26 2067.83 9270.05 5551.45 698.14 686.12 3498.88 12871.97 14107.83 2120.73 2893.27 2146.1 3002.93 15406.6 1347.54 2244.13 7818.96 2380.53 2201.2 2210.41 2886.72 12367.21 9894.35 1833.97 2868.63 4480.74 3659.77 3368.54 1610.24 6032.7 1310.34 3975.4 14038.19 4390.31 4279.12 2473.77 5269.7 3877.06 6219.49 3548.81 4937.82 4773.02 7983.54 8524.4 8783.22 10165.61 5875.87 8369.16 8157.94 8524.06 7992.63 (S)-14-Methylhexadecanoic acid 35291.91 33808.39 28321.13 29709.49 3778.18 15549.58 18801.98 32127.27 33092.68 38840.41 26295.73 25108.67 22947.68 38501.6 33994.85 28007 35426.66 29774.78 28292.21 32179.76 29578.04 29566.36 22188.97 37465.75 31207.15 33584.49 34364.74 36594.25 27391.58 37708.93 30108.66 29709.29 23441.99 31434.89 37758.32 33571.16 36303.66 34673.55 36695.1 43832.16 26854.49 31814.26 34920.25 37401.67 32124.75 26391.1 34749.73 30114.07 24408.17 29011.51 30703.81 31805.06 34266.37 33415.73 32363.83 32626.88 35620.84 38102.27 34339.49 33922.02 38398.43 38039.06 34913.78 29429.95 12799.23 32051.55 36600.12 37588.04 41477.45 29868.17 36019.87 34290.74 36652.74 36325.46 35060.47 30356.72 30497.51 30314.37 29658.1 30500.86 30402.51 30947.45 30023.15 30545.72 6-Benzylthioguanine 407.17 442.03 503.49 757.24 1068.94 1321.15 445.96 1576.8 263.78 366.1 141.71 1541.7 1561.55 500.89 1404.96 500.79 696.24 1237.89 775.06 217.46 1266.06 356.61 547.14 915.18 181.35 211.62 716.68 549.65 1113.3 1161.06 528.14 1998.16 318.51 641.86 708.94 765.9 532.99 812.91 699.59 418.96 1050.46 1570.06 666.48 174.46 1872.44 611.47 588.56 183.91 1492.89 407.61 538.2 786.11 1143.69 491.82 548.76 425.57 646.88 392.43 756.53 597.45 547.45 132.25 572.06 639.16 585.51 477.37 1117.26 352.7 1456.66 349.82 463.31 883.16 669.08 383.66 921.04 3218.25 3258.97 3260.84 3131.01 2892.06 3255.99 3145.95 3154.17 3541.57 Esprocarb 3954.69 1796.55 1284.59 321.39 4655.82 778.56 2649.69 1326.17 4836.51 654.12 1132.58 5009.64 4543.98 4252.06 3483.99 1701.81 1686.38 8814.7 2817.19 16244.28 3046.22 442.59 822.02 1886.47 3874.75 3057.37 1399.16 2906.74 9590.64 3889.46 17876.7 10126.42 1616.88 1611.4 1944.83 9647.1 2808.85 1049.38 1188.6 1590.81 20817.95 8511.08 1374.85 1345.47 12334.39 3928.87 8922.72 3062.16 4916.84 7449.54 2422.71 1993.21 2221.62 1286.06 1535.55 1916.35 344.4 442.82 2021.32 559.34 935.35 1006.49 2480.78 1040.72 1448.47 3539.91 6496.53 1464.22 1142.51 2874.19 2202.98 1224.8 1836.72 921.77 1800.57 3950.14 4398.36 4575.58 4501.4 4565.72 4566.36 4406.9 4589.8 4372.6 Austricin 6976.55 7556.85 4757.1 3486.16 10448.74 9457.93 8449.73 6822.5 2182.31 7832.97 3269.42 2232.76 6459.6 5889.24 6177.23 2779.92 4226.57 4329.46 7328.7 4725.77 1984.86 7939.43 8051.02 6525.04 7822.41 3273.07 7765.49 5619.83 6307.01 4835.86 4405.8 6056.14 4957.09 8310.21 3873.5 7727.06 5184.7 5661.15 5960.36 1617.27 5286.73 12542.9 5057.88 4403.68 4314.82 4682.72 4156.77 6312.39 4229.35 5695.6 6162.16 7908.73 5943.05 4024.75 5349.95 6198.15 4215.51 1835.1 3394.22 4590.43 4416.96 9794.3 6525.37 4476.37 4552.81 9048.53 692.69 3931.81 4766.29 7597.37 2532.22 8549.52 7434.66 522.66 3816.56 5665.64 5570.74 5279.25 5481.28 5503.48 5481.92 5631.44 5686.04 5664.45 Ibuprofen Acyl Glucuronide 3976.11 7228.84 10538.03 9949.44 6832.61 6138.79 4670.05 6887.35 6501.91 10379.4 14129.68 15574.44 8326.48 12033.6 3171.1 13519.06 3939.08 6665 1148.36 1521.33 7535.02 5523.82 11392.1 12686.86 1520.88 7056.36 10309.77 11870 10016.62 8566.54 2972.41 19237.24 6194.02 13457.57 12209.45 6706.23 10313.82 3873.61 13423.72 11518.32 6367.02 2115.67 10145.89 10443.66 6743.76 12184.88 5016.72 14127.6 8361.55 16762.74 8287.65 4234.54 11359.79 13808.46 6171.4 7879.73 7215.3 10109.56 4034.56 3671.34 8977.2 10685.33 6799.03 13180.19 11157.86 12540.27 7594.53 11139.12 11914.77 6878.17 6885.66 13450.05 12142.24 14077.88 14751.6 9100.07 7772.72 8666.88 8652.8 8527.96 9146.25 8622.26 9091.05 10749.96 Carbamic acid, N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-2-methylphenyl]-, phenylmethyl ester 1925.82 3542.37 1619.87 4617.2 481.12 1355.34 2226.53 1237.79 3693.44 2632.13 2034.94 7199.19 2992.06 4513.42 1846.17 3352.33 3195.42 2612.21 1832.3 1692.72 2277.98 3705.54 5306.64 4650.87 741.83 2111.28 4670.86 3609.13 2058.55 2275.7 1893.61 2432.45 2601.6 5208.31 4983.17 3519.03 3035.2 4137.18 5874.97 5129.1 1513.13 2832.16 4692.35 3610.28 3725.84 3778.19 3374.92 7179.6 917.38 5964.06 1071.52 2399.48 3973.8 5836.51 1145.21 1837.48 3079.86 3598.58 1656.58 1640.05 3970.12 5092.48 1614.13 4214.6 3079.09 2355.09 4516.2 4203.43 5421.34 1716.04 1907.65 2649.85 1485.3 3551.58 4162.9 3921.53 3890.44 3909.65 3790.94 3892.73 3891.41 3934.87 3957.99 3909.71 His-Cys 2519.48 4917.01 7662.52 4707.71 586.9 2849.22 2450.02 2866.05 3545.64 4696.08 4121.02 2497.58 4987.72 6136.84 5456.48 1310.21 4766.21 7100.76 4179.71 3832.41 3977.48 1896.57 4107.87 5276.12 2865.4 4026.08 4548.28 4353.75 4533.55 1480.19 3728.54 4458.23 3789.18 2081.59 6099.62 4356.72 5272.91 4781.11 4248.96 6024.6 2948.58 529.15 4396.31 4817.38 3289.46 2016.73 4403.35 3692.69 2340.75 4030.18 5153.98 4076.82 3311.47 4567.46 2088.18 6383.31 6848.37 7236.7 1185.75 4889.09 5105.19 5435.14 5867.87 9305.58 5755.1 5141.87 2923.74 4094.86 3364 3191.16 5379.16 4935.42 7954.53 8787.05 5351.95 4568.58 4679.43 4666.15 4677.45 4506.83 4574.85 4546.59 4644.96 4690.19 Salirasib 12311.82 12641.17 12489.26 940.97 16069.45 6219.55 25353.22 14220.55 14029.28 15532.26 25387.19 40426.27 25405.07 6752.46 2643.26 34743.62 19735.16 6577.13 34202.97 3085.24 6374.86 9882.15 21900.02 26574.27 2318.24 14015.95 4502.56 29754.14 3493.17 36889.64 9334.01 51232.36 7798.68 19997.82 25026.1 17262.57 12102.99 7780.59 25606.75 20621.04 16172.01 10171.06 28412.58 18429.71 19803.51 27919.12 13023.84 25821.7 25449.7 39078.06 9727.89 5404.43 27907.1 40061.24 11735.99 8754.56 16516.71 11050.8 15310.92 6826.07 21533.05 6781.5 7113.57 27381.07 22214.85 14567.88 12183.08 28565.56 26387.43 15323.95 14760.44 19051.02 24762.24 20188.86 34317.7 19314.7 19629.48 19706.13 18906.66 19008.47 17839.48 19020.37 19645.03 20490.34 9-Amino-1,2,3,4-tetrahydroacridine bis 1,7-heptylene dihydrochloride 2287.87 9765.89 10263.8 8627.6 9537.04 4959.81 9584.32 9387.4 4765.79 2066.19 6874.51 4222.97 2701.71 6187.54 8078.74 9587.32 1597.08 998.61 2444.43 15096.17 4323.89 533.38 10830.94 3628.24 2327.77 10722.2 8377.53 9082.08 3810.27 8893.72 3489.94 4525.4 10183.33 13080.46 7184.68 8853.1 5146.44 3922.25 4782.43 4912.8 3221.15 8919.29 3256.24 899.91 5462.71 6922.31 4018.2 6794.66 11003.01 8106.58 6043.38 6636.41 9978.21 9856.91 3592.61 6087.5 13142.41 8150.32 8244.15 4403.93 4929.01 6424.23 8944.18 10388.56 3904.3 5943.05 8503.52 8148.78 4009.7 5221.16 4722.55 11200.08 5833.96 1933.12 5842.25 8193.83 8196.69 8304.14 8419.41 8420.96 8415.02 8512.32 7325.17 8186.84 Nervonic acid 49108.51 65079.42 57070.14 52514.97 44291.55 41405.57 46595.55 49679 43352.89 67545.2 32516.89 30946.81 42761.88 59434.17 55680.74 51787.58 68630.77 50122.21 44394.48 47211.34 50409.98 44309.57 37479.8 50557.63 54107.91 59122.86 58812.5 50538.8 52337 86776.91 44188.46 52944.84 37503.02 48996.56 50785.17 66473.01 51894.43 30848.09 62573.27 89838.11 74645.33 50415.8 62539.18 56172.99 47999.16 41562.48 48822.73 62578.2 25328.22 42676.14 46473.12 58559.8 51103.82 48643.11 79389.69 60803.67 63211.76 62720.31 61301.72 54640.36 80049.96 65236.29 57893.16 56973.61 41355.96 63229.08 59970.37 64752.15 81954.53 58358.07 45601.88 60836.54 38842.38 38848.2 57020.22 57726.06 57722.69 57972.2 57977.4 57976.19 57234.71 57380.86 57976.43 57971.82 Ethyl hexadecanoate 2950.15 12623.82 3659.76 24494.72 23897.53 19643.32 2663.77 6693.31 7250.06 2456.94 1957.55 2906.58 10716.38 4763.72 7557.7 10150.37 14882.06 14801.55 28293.4 88267.11 10604.24 5337.17 7952.97 1162.2 1723.69 3969.51 1082.73 2366.25 12255.56 3761.08 9731.84 25470.65 6835.89 5143.88 6321.36 4222.29 4268.13 3057.26 3093.29 3524.48 13509.4 6620.01 6636.93 18797.87 5830.34 3780.19 6731.57 24370.72 5132.45 33380.46 2114.49 4942.36 4962.16 16683.99 4212.76 14307.66 4581.41 7363.04 10033.66 11362.17 2390.44 8487.42 6093.76 7124.97 11620.31 6862.15 18203.27 1465.72 8314.83 910.8 18373.55 1496.04 6273 24061.78 20062.9 8053.13 8855.01 8817.78 8807.87 8719.66 8818.69 8698.55 8677.41 8750.52 Propiconazole 9139.69 865.98 867.26 771.04 7084.26 2286.36 1992.1 16181.69 7249.75 2464.21 3229.89 6072.69 619.54 4495.84 5572.56 6292.3 1109.29 10051.61 6083.13 6281.91 10909.6 2720.88 1340.34 1141.97 14023.55 5684.75 3003.48 6686 13316 10506.99 18586.94 6022.16 2494.22 1052.95 1270.48 15612.21 10870.73 1527.37 3110.35 4921.03 16221.64 11961.51 2300.39 2115.07 11629.48 2265.34 11145 4793.72 7021.84 7451.91 8188.47 2660.38 1482.09 1829.51 8558.84 984.2 1059.31 691.54 7493.93 1171.72 773.23 1177.01 2537.58 2001.85 2000.28 6653.93 3869.28 6804.13 8922.6 9547.48 4620.21 5188.86 9295.97 813.69 2121.38 7439.47 7479.55 7428.92 7420.28 7448.67 6221.64 7309.79 7367.54 7254.04 Metergoline 33087.56 49234.93 55544.83 59224.57 53374.23 94090.57 22940.11 40054.04 26286.82 33228.83 37830.35 33622.53 47582.2 50217.25 40198.46 34540.67 48631.25 85804.52 35204.28 58257.17 53776.79 31640.01 25235.33 38236.2 38089.73 48651.11 40593.87 35136.54 38481.96 56443.95 102730.32 87376.01 25941.14 59402.52 31897.09 53316.93 44686.79 78865.32 63019.83 45029.51 78287.37 70647.89 65554.38 58216.44 62912.76 42687.35 49642.58 54852.71 56826 60347.49 44598.18 42421.86 41403.49 30101.48 33491.91 33497.6 33652.42 30746.82 28784.82 42042.85 37029.95 46322.69 39796.88 35590.41 58484.89 55110.98 92228.47 53869.18 46490.14 28517.73 56018.89 45566.52 55034.53 68878.24 55624.51 37869.58 40567.51 40019.61 40336.59 40531.28 41241.29 39989.22 40561.76 40089.68 5-Geranyloxy-7-methoxycoumarin 4305.61 25419.69 6272.95 5539.83 2146.6 6236.08 5315.81 21265.04 18186.14 21181.61 23526.79 8898.77 1888.97 16260.74 2917.07 2856.6 32522 36345.57 18970.1 21633.63 22234.51 12190.65 993.38 18760.22 15920.97 26106.22 19824.93 5722.65 3237.99 29957.28 19171.04 1639 36299.5 8266 20699.47 7566.36 30571.37 28804.32 18763.03 33607.48 20345.46 1466.42 18872.62 20164.8 8927.27 3451.74 19884.65 21520.61 1998.01 11826.83 12088.32 22919.25 13640.43 10325.26 8014.81 18474.98 31413.37 33210.31 31806.71 33658.89 27939.84 27079.66 6635.56 27989.09 33041.23 16647.84 13395.04 16802.02 23023.94 17102.79 33892.92 26331.36 21075.68 13237.06 13355.65 12667.56 13453.7 13303.83 13516.51 14203.15 14197.25 14184.79 14932.19 10211.15 Cetraxate 99308.9 57262.26 23828.37 24541.99 112226.48 221397.14 21592.05 194971.21 84169.43 112246.67 51261.02 92599.56 60678.04 109913.83 171718.64 79226.64 21608.22 336036.14 285599.77 116222.12 162612.5 163627.7 100780.82 60963.1 139671.13 82478.79 22830.74 54158.41 209876.11 57275.87 104148.77 358667.76 217213.71 102181.94 37841.45 205985.91 157199.86 84976.56 50133.4 22866.66 88604.14 244930.33 100472.03 64402.32 184760.08 67114.98 115297.85 107513.98 194731.65 184345.72 161944.52 170725.66 81715.28 36755.09 104972.48 132532.85 1969.57 31698 242208.26 26401.76 44087.59 45183.22 131313.18 100128.09 72674.69 92038.68 64472.25 46936.96 35720.68 164629.83 61492.67 106597.67 126491.12 39259.03 33987.57 125918.22 127377.91 126400.06 124192.62 126391.74 125658.42 126403.39 125657.23 125293.49 Alvocidib 4758.17 15014.47 5631.46 4416.44 10851.47 16640.14 6293.17 14469.23 15316.07 13810.27 4951.01 9000.04 669.2 10632.84 13464.28 7118.49 1876.91 11482.34 16983.93 10559.16 10272.92 13397.31 5307.47 13557.99 7556.59 16842.6 1061.75 10389.77 6737.98 2283.03 6761.35 10929.22 10060.79 1962.08 5079.46 13317.89 5152.17 14969.81 5278.34 6705.16 7751.07 11522.77 4414.87 5569.75 11653.97 2530.43 13174.87 12048.09 7218.22 3959.33 6791.18 12816.31 5178.73 6317.93 12526.43 15560.02 5485.75 5770.75 8943.05 6639.62 6164.05 9296.17 7985.17 8032.63 5389.19 15463.58 14689.07 10680.68 5214.98 14251.44 13343.11 14455.46 5339.13 9692.26 5917.77 11891.35 11536.58 11652.38 11522.14 11920.97 10998.77 11901.62 11955.71 11895.27 Dethiobiotin 3036.92 3223.82 4960.62 4607.06 3830.81 6419.52 5347.82 4107.51 3914.86 3361.83 4204.71 3853.23 3983.49 3265.75 4057.21 6016.18 3250.03 3224.21 7527.61 4240.97 3740.52 2441.38 3117.46 6006.73 3159.71 4145.63 3499.41 3444.18 4479.43 1847.59 3387.71 6303.88 2674.41 5987.78 5638.53 2554.64 3306.99 4841.43 5025.51 4665.55 4497.81 4302.42 6313.35 3382.96 3904.03 4385.45 3276.47 6587.54 3723.26 7714.84 2810.07 2532.15 5760 6918.93 2553.46 3447.04 3992.65 3667.96 1539.59 3746.1 2479.13 1230.56 3252.21 6792.32 4957.31 3759.67 3083.34 3246.14 4356.39 3872.53 3206.36 5573.78 5977.89 6095 4389.68 4364.49 4354.42 4360.19 4260.48 4267.84 4270.85 4326.73 4367.31 4147.09 Mefenorex 40187.92 41452.21 46407.4 69555.28 39910.1 61375.3 66603 43165.15 40153.24 51708.96 71717.5 54681.82 42638.55 47995.56 50677.05 77164.57 39904.35 32729.08 69654.37 26923.54 32013.51 39040.24 44648.43 66052.52 39953.4 53322.74 78475.2 83057.59 56929.16 15782.6 32141.08 73161.67 25739.35 83159.13 67263.69 47553.55 43520.59 59649.85 69444.13 57508.91 35458.8 45710.77 67677.56 37809.87 47796.76 50937.33 39967.6 60988.08 39899.87 83631.58 30502.72 44696.83 64679.35 92380.77 28458.4 44373.46 26419.92 34799.98 39718.36 27835.15 40571.72 29654.12 34941.41 55830.69 45853.73 39458.92 31093.97 38354.36 41926.85 38304.82 34971.46 60279.94 57951.29 69304.06 67199.06 5289.06 7549.91 4754.33 6398.61 4926.76 5071.88 5049.13 5156.94 5356.26 4860.08 6910.21 5033.63 4971.16 5343.73 5392.56 5921.51 4957.96 5373.05 5092.52 5287.52 6701.68 4801.45 8352.21 5727.45 4626.36 48898.32 48884.61 48682.08 48736.33 48900.49 49303.13 48722.42 48902.39 48664.44 1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine 251.13 152.87 197.14 502.17 478.75 202.7 566.29 236.72 411.49 141.67 191.31 131.14 82.77 162.12 352.42 413.01 279.34 277.53 210.58 113.98 151.88 147.17 116.11 93.44 250.49 377.67 112.39 98.29 117.62 176.57 138.31 371.83 79.05 236.6 156.16 206.42 167.08 211.23 119.22 107.13 2734.63 990.61 101.85 222.52 227.22 298.95 231.64 295.11 253.7 335.53 797.27 108.89 302.07 187.49 234.04 165.2 166.32 225.59 191.5 707.6 212.75 348.61 202.02 135.59 100.97 275.02 294.55 201.98 356.34 306.78 188.53 111.93 190.54 91.85 101.69 1717.08 1366.73 1452.22 1376.96 1452.26 1364.02 1343.18 1563.42 1342.76 Verimol B 21375.64 2799.16 3131.88 3305.46 9232.38 33002.89 25942.3 23647.52 20844.09 27918.04 21154.24 22227.59 27742.49 14824.44 34338.07 29401.76 41635.93 20366.64 25713.84 23492.86 25923.02 17939.15 22325.97 42301.9 25596.89 25780.58 26330.19 35448.05 6183.15 8061.58 16490.2 18307.1 39653.16 30726.98 33043.43 26837.2 18876.17 34089.39 23362.3 30182.32 18384.02 19930.06 34804.77 26963.64 27767.81 18320.75 39010.94 38631.26 29987.96 36384.04 13812.46 36218.04 26728.08 35346.16 15227.66 57222.41 21529.11 27649.96 38869.3 31763.36 28138.94 23469.55 30322.36 33691.98 21849.61 23976.29 60126.44 27859.56 25813.85 24618.95 34852.93 33460.24 26422.74 38314.59 26056.9 30297.41 30402.27 30697.94 30392.24 30396.39 30682.17 30850.91 30687.52 30081.73 2-Amino-2-[2-(3-azido-4-octylphenyl)ethyl]-1,3-propanediol 637.06 760.4 3998.55 5979.63 22065.78 24186.49 25329.89 168.71 667.33 642.74 544.57 609.44 6048.95 606.92 133.89 1138.43 300.43 497.77 623.9 435.8 696.65 3624.27 1454.23 719.97 667.32 488.22 739.47 670.81 950.61 569.77 446.47 213.96 491.73 1046.56 313.35 807.6 665.76 2811.25 1111.6 564.54 7033.99 166.17 197.49 226.87 164.75 3174.97 758.08 514.76 534.58 124.9 1093.66 946.51 846.23 223.59 966.24 244.79 2807.95 2254.95 953.48 10048.17 669.81 209.38 517.82 344.54 248.77 205.81 667.19 675.18 506.59 567 138.76 631.57 774.52 2659.42 1356.68 3019.82 2352.78 2757.03 2831.55 2737.47 2694.08 2841.91 2388.58 2770.24 Sudan II 709.46 381.18 626.38 575.35 373.53 362.95 594.32 1165.94 599.73 689.73 907.47 424.22 366.66 526.94 691.79 460.47 482.59 563.4 541.57 670.78 737.26 459.57 554.1 792.19 458.91 450.27 545.97 540.88 515.84 572.89 652.7 504.43 547.9 601.02 816.26 624.42 625.69 653.91 557.62 603.43 566.79 517.27 509.68 667.9 497.77 412.45 475.9 463.35 274.11 396.81 496.97 511.4 555.13 485.85 690.54 491.4 641.17 626.49 522.18 606.33 585.76 558.97 452.87 436.73 623.69 594.9 568.24 628.52 725.89 491.16 658.99 548.8 543.23 370.61 492.64 1765.2 1911.82 1869.45 1879.76 1922.35 1882.62 1873.95 1963.14 1917.3 1H-Imidazol-1-ylacetic acid 19252.84 18801.98 18326.16 20831.97 32975.11 8805.19 20710.31 26674.93 23145.49 11029.9 9837.71 12749.42 9004.18 9592.1 35952.02 16379.43 11480.96 27289.62 12977.23 18634.78 21511.67 10153.94 11230.02 10808.91 20256.46 22344.54 11117.64 9544.74 53175.73 8963.84 20810.46 12118.31 16105.09 25533.52 9267.15 21202.47 22884.83 13666.57 17600.61 22937.54 853.43 3510.97 17784.4 8679.2 13719.93 32044.87 32217.45 20539.4 2905.08 6616.82 26965.35 11357.97 14264.88 28199.95 20088.42 15514.04 18677.89 17908.86 22684.79 12838.84 11858.7 19527.73 12138.78 21866.66 7595.9 29686.55 4872.82 5925.98 15043.49 16054.7 25694.05 6093.27 18858.8 20615.2 14170.09 16572.51 16360.71 16712.01 16574.7 12442.51 15013.91 16670.11 15973.14 16636.68 13,14-dihydro-15-keto-tetranor Prostaglandin D2 316.33 464.03 363.46 9007.01 9745.25 16662.97 16974.25 351.14 81.66 111.52 79.24 334.52 8307.49 207.99 83.63 2471.34 110.09 126.26 272.26 111.95 275.22 51.73 51.99 349.79 164.76 308.46 591.11 302.38 320.21 180.38 234.71 360.28 130.71 1617.41 235.09 202.58 849.8 348.36 211.23 704.91 7720.31 3671.32 257.85 220.29 75.1 18331.96 167.96 339.59 250.27 1365.61 795.41 492.12 308.2 2490.43 3426.59 145.58 130.1 251.88 569.6 1723.73 108.24 939.51 277.02 1149.87 93.56 893.37 302.32 235.17 155.63 157.85 316.32 237.39 290.47 779.54 3359.61 3212.01 3174.41 3215.48 3183.02 3215.42 3162.36 3215.76 3216.01 3219.37 Diprogulic Acid 8152.37 14663.53 10866.39 12113.41 13310.32 13687.28 12134.85 11029.95 4642.12 15902.5 5911.43 10492.56 10446.1 11965.27 15304.07 14135.73 11169.33 10786.89 15713.32 7856.33 7018.15 3563.82 9073.71 14115.14 1951.66 13429.5 14023.17 11255.06 17070.46 8332.61 3722.38 14273.98 10896.79 11793.63 12181.63 14604.96 12725.35 10495.06 11617.76 17290.49 8766.87 14547.98 13658.24 8708.34 11511.38 8924.31 12169.46 15947.3 11255.71 11724.21 7424.63 12119.53 12470.37 11999.1 10436.01 13442.97 12830.86 12307.12 10979.89 11740.57 12474.53 13888.53 7926.44 11957.75 10308.99 14681.12 1250.63 14226.6 11977.4 12864.83 7910.93 12170.72 9703.45 16501.62 10296.57 12178.33 12459.89 12450.35 12449.75 12502.59 11990.47 10717.92 12298.3 12250.55 Propafenone 28503.63 21180.65 12059.82 20725.81 31680.07 60743.99 5603.25 56810.72 25965.06 32440.24 19234.21 25921.58 22582.62 35978.97 49621.51 27323.56 9943.42 81484.2 75062.19 37557.51 40693.02 42131.58 27761.34 21546.18 38415.35 27614.1 11417.4 19983.98 55533.2 19630 32941.54 93510.78 51666.91 30398.83 14642.32 54468.46 43831.59 26925.29 18099.35 4177.02 36455.9 65376.31 28985.81 20545.12 47172.61 22835.37 36465.28 31662.17 51872.46 49973.66 43690.36 46244.31 24282.66 14346.05 33287.02 36911.7 8782.35 13315.76 59098.46 11338.31 16171.27 16908.08 35624.19 30445.09 21109.98 26643.01 24151.6 19884.25 14826.95 44993.45 19737.03 29734.32 34730.23 16229.71 13929.81 35539.03 35621.37 35814.45 35790.94 35537.96 35879.63 35533.81 35014.16 35781.77 Pyrilamine 1664.4 919.02 854.6 939.92 4477.65 1231.68 5722.26 3575.78 3061.29 2375.81 1602.05 818.23 1186.2 588.89 1312.02 1265.7 1097.04 764.81 1435.03 920.94 402.11 781.67 768.91 1215.82 691.28 979.06 1048.88 518.79 1307.38 1506.08 1206.82 1369.68 932.49 407.45 894.76 5214.15 2228.54 933.83 521.34 1341.98 3846.19 5328.97 2168.88 433.92 1809.29 642.74 1417.63 972.02 2800.34 1064.26 3847.4 1797.76 736.56 909.48 2852.15 889.86 1122.04 932.77 2452.44 711.26 446.74 448.44 886.06 1076.72 1265.8 452.32 474.19 768.86 1019.87 422.1 2274.29 1108.89 1294.97 990.6 990.59 1795.2 1736.42 1595.99 1714.61 1667.08 1741.61 1718.87 1696.26 1716.01 2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide 1664.69 3901.66 2553.38 2586.7 2076.89 5958.13 2190.64 1421.84 2080.3 1732.92 1589.06 1579.45 765.74 1444.51 3233.33 905.47 2756.66 2679.79 1879.43 4984.28 2129.89 1050.67 1132.63 2206.27 1538.52 1161.4 1244.74 2012.05 1871.26 927.99 1521.51 2346.71 4658.04 935.27 1611.05 1934.53 1761.87 1751.72 1787.32 855.67 1510.25 1250.07 795.35 570.64 2050.52 1546.11 5481.25 2189.68 1155.56 1211.21 1485.76 1414.08 852.77 844.32 970.68 4018.58 566.31 1351.96 3319.51 2884.28 468.03 3154.94 3983.18 906.01 4548.07 1248.21 2503.66 1190.22 1157.22 1853.01 7848.08 2775.28 490.94 1736.77 763.54 3062.65 2323.9 2210.37 1871.66 2145.19 2606.62 2349.17 2506.7 2346.76 3-(4-methoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetate 17376.94 20081.97 10580 737.19 4007.47 2618.13 2550.15 4666.29 30141.76 10788.93 10996.16 771.7 1287.51 7798.9 8237.89 17673.23 7196.36 6093.46 4786.05 2229.66 5467.87 638 4783.17 12032.2 9615.08 26991.92 18340.8 5588.62 1419.68 802.31 7050.08 4163.99 6938.5 5629.29 9429.85 4953.25 22113.28 11330.05 11479.24 33459.82 5450.88 2576.04 10501.1 8923.05 5835.75 4664.76 6972.03 10642.56 4703.33 12569.74 6127.13 13897.65 7304.42 12712.98 15968.85 18532.85 10911.74 10460.76 5436.54 1476.1 8443.24 4005.32 20885.69 29017.86 12087.76 17212.42 21784.31 9424.02 8096.21 18994 16132.59 37841.69 13333.4 15842.15 20205.32 8311.39 8223.93 8843.04 7062.49 8317.18 8077.25 7035.83 7749.84 8213.78 Vindesine 816.9 3348.22 3056.96 2058.57 10828.81 40427.82 3316.72 7044.61 4186.37 373.41 481.03 2667.29 729.74 298.94 584.03 822.3 2214.77 4119.13 2189.75 2497.11 1308.38 1031.14 434.42 2714.1 6292.15 1131.29 2842 344.23 2031.53 927.65 3209.88 1449.81 812.76 862.52 1128.56 912.82 4313.41 1300.06 1130.22 1474.73 4340.36 8672.06 494.26 1097.98 6666.21 2496.83 8950.93 4595.55 2347.81 3943.98 2406.01 3427.87 2595.51 1072.17 6128.74 1889.96 1413.44 734.66 5646.08 2467.14 842 1126.44 4115.94 1955.38 1015.77 3141.62 719.85 1013.08 530.85 5175.85 6382.55 1111.85 583.73 4669.19 3299.63 4297.92 4241.35 3734.25 4288.54 4289.7 4168.33 4153.19 4228.68 4289.37 Methylatropine nitrate 1910.45 4293.02 6250.22 5356.04 13551.23 21506.68 12197.88 597.21 1461.45 797.96 2131.87 2030.61 1025.08 739.91 904.19 3334.6 4702.78 2139.98 7225.25 1034.13 480.35 3942.86 4742.12 384.1 2403.96 3179.04 466.22 2423.45 4935.7 2608.95 2970.22 549.62 987.07 3145.95 5243.61 2009.43 1918.46 6892.09 2657.98 3968.74 7668.96 1155.04 6037.13 933.98 2421.44 1446.44 2513.3 2062.41 369.86 6987.37 2927.89 3308.08 771.93 2379.12 617.57 5984.92 4159.93 4119.43 1788.84 7629.23 2486.4 4304.57 3128.59 5439.71 7359.49 2824.13 3942.75 1838.08 995.7 1473.79 3857.82 5384.27 1096.02 8379.67 6294.49 4377.6 4671.06 4305.64 4407.43 4206.24 4461.14 4138.76 4174.88 3203.6 gamma-Tocopherol 27441.72 32589.69 24295.83 10305.2 9426.72 26962.95 28000.45 36416.64 48194.49 60505.14 31353.84 34595.52 30890.44 39000.04 17912.23 25516.82 26869.93 26344.31 24498.19 40975.83 38832.38 34945.99 27909.23 17070.46 23471.36 42918.43 43261.9 27005.13 21392.04 53403.46 36390.58 31240.07 33577.64 16835.13 41179.96 23168.64 36711.83 39171.03 44772.52 28416.5 12292.03 9885.54 51654.12 21289.01 14618.28 36400.19 36916.26 43384.8 20986.33 26678.62 37370.16 30712.01 28949.62 35431.09 20020.45 30823.86 27095.02 31782.59 17484.17 31514.57 21040.49 31964.67 15381.3 31432.35 38249.35 9559.73 39472.63 60717.27 32161.58 34875.79 40427.65 46409.69 29343.82 9390.31 30826.16 31295.76 30787.85 32320.32 29849.87 30809.91 31281.7 31282.51 31020.52 31161.01 Carbocyclic thromboxane A2 3091.92 2501.32 3340.9 4412.5 5644.42 8055.85 7897.53 1206.6 5580.67 7512.89 5621.38 9597.22 16895.58 10470.72 4851.36 8078.38 4908.26 4572.58 11482.41 4826.89 4688.75 5237.64 4076.24 4562.9 4102.96 4589.96 10233.33 7309.45 5437.05 5181.89 4339.42 7491.06 3399.36 7551.29 6827.92 1696.08 2700.21 4317.02 2827.1 7156.72 1639.75 4227.93 4259.18 4566.82 4324.79 5481.19 878.73 4909.07 2271.05 19641.26 3500.89 4483.85 3757.54 15727.38 1282.89 4695.36 6990.88 5311.14 2776.32 3103.48 8926.86 5069.83 5685.42 5869.46 3230.94 6792.92 6072.8 6463.12 7147.18 2783.51 4947.2 9148.86 5877.24 6951.15 9560.84 9253.3 9065.33 9543.71 9184.73 9118.24 9497.28 10749.04 9511.66 9527.69 Butoxycarboxim 11895.68 11878.55 12859.96 12647.8 13296.81 9855.75 14798.26 12113.67 13877.89 14760.56 13319.46 12592.07 14227.38 15351.35 14721.03 15837.79 12128.62 9578.73 18626.21 10749.24 11454.35 3337.01 11904.18 15397.3 14518.28 10790.22 18074.51 18059.86 13543.21 10990.57 12643.54 28065.68 7855.97 16598.27 14320.08 13261.39 11926.34 12098.11 17322.41 16836.89 10236.76 15502.64 16166.32 13944.39 13630.88 13009.23 12550.54 17424.11 16885.32 26931.55 10465.15 10593.41 16936.98 17979.8 8097.08 11369.6 11938.38 11305.08 11077.07 2054.7 12665.13 11273.3 8609.76 14103.82 12473.46 11421.47 12115.19 17093.85 14794.1 11032.8 12766.3 16844.74 15909.73 17248.77 16407.09 15418.58 14229.78 14194.99 13649.03 14191.83 14059.09 14329.2 14621.93 14064.84 5,7,8-Trimethoxy-3-(4-methoxyphenyl)chromen-4-one 6857.58 3564.05 2052.25 17244.62 16009.94 5950.92 22610.99 11340.46 6539.74 21535.26 19401.53 21260.99 22118.86 20464.46 15603.88 30944.06 18703.84 2326.15 31133.47 3073.97 11402.92 1943.72 19214.48 21224.15 14066.07 2840.98 2480.84 28795.08 2300.58 12695.91 954.07 37884.95 7471.07 25768.78 23121.74 18608.21 9807.93 1983.93 24960.77 21433.75 10796.05 18152.69 28890.45 18402.23 11795.81 17568.67 14697.05 26129.73 20456.79 36219.01 9589.1 7218.29 24551.24 26371.65 6864.46 2199.25 15255.24 15892.44 11065.6 6975.46 19954.76 13552.65 5091.68 17537.23 20044.63 5510.26 4643.07 26060.52 23592.74 9935.88 6226.21 25385.73 21131.93 22167.42 23678.2 17352.51 17297.59 17527.95 17185.15 18376.4 17274.62 17174.64 17545.41 15841.56 Pro-Val-Gly 1798.72 2953 896.94 2363.81 1217.25 1965.97 2962.26 7557.14 4282.68 5707.35 4189.2 2484.41 2579.52 1408.7 14386.3 3708.42 1932.49 19254.86 1847.43 4314.62 2705.51 8660.02 1416.87 1732.06 14202.27 10475.03 469.63 2317 14969.37 406.79 7894.35 1362.06 1912.7 3187.53 6353.11 14265.82 10161.33 1074.71 1658.36 28867.07 14274.89 13348 14195.32 1544.48 10601.48 3352.31 12248.79 1476.48 3783.18 3978.1 3761.79 5581.47 14123.54 24903.15 7318.8 8205.22 5657.88 4880.29 9502.85 7996.39 4745.88 3121.64 17383.34 13439.26 7755.46 9597.72 2320.33 1254.53 4204.78 8137.61 15329.99 2744.88 8442.8 12343.02 3256.31 9525.61 11399.93 9470.07 7565.62 10202.18 10039.48 10022.93 9456.7 9770.58 Ethidimuron 8959.84 15647.61 10557.66 12538.78 10763.67 8582.71 12786.29 9768.65 4313.76 19853.59 4399.18 7610.16 7206.7 14470.69 12239.68 14013.83 14992.27 14055.04 21219.08 3080.34 3592.34 16191.53 5552.54 10680.13 8969.02 29976.12 22045.54 12747.09 11458.48 2374 3601.84 15602.6 12604.35 1355.65 2162.64 18861 5241.17 16943.02 6983.61 5280.79 2806.58 5038.37 6234.25 12288.66 2572.45 9411.94 1364.11 11668.35 6107.13 10473.46 6072.07 7553.37 914.7 5686.33 10989.69 19278.06 16754.66 8116.52 11125.28 21518.77 11245.37 9867.47 10997.41 4459.32 7988.13 6266.54 7026.87 18207.16 11096 12121.77 10129.03 13527.65 3926.77 10276.13 17652.09 14073.52 13867.77 13744.26 13721.98 13872.93 13743.7 13742.5 13871.43 13869.8 (S,S)-(-)-Hydrobenzoin 8156.71 7738.08 6820.02 6857.29 4392.15 3979.69 6383.74 11720.53 3218.14 616.44 11227.01 5628 3615.16 4956.57 5865.85 6010.98 7552.17 6349.78 3741.57 4117.55 7689.75 5295.52 5022.1 7050.79 6306.39 8446.68 9103.25 6026.45 5069.74 6207.37 7385.1 6672.46 4378.04 19741.51 4289.78 10079.09 8107.02 7418.98 6623.7 6424.21 6762.8 5601.43 6489.93 6957.07 6195.03 5776.01 4935.18 6682.88 6053.93 5043.99 6058.35 7441.16 6794.94 6559.43 6299.63 7411.89 8200.49 6147.51 8202.01 7458.35 6787.05 6265.72 9059.63 6752.32 6919.74 6123.62 5211.91 7692.59 8449.28 5863.26 6914.49 7558.03 5046.03 5981.21 7327.69 7032.98 11665.27 6994.38 6493.06 6798.49 6879.6 6859.71 7057.94 6349.42 6920.58 8129.89 6782.6 7906.51 7271.59 9402.04 7883.61 6868.62 6660.45 6761.08 6779.66 7157.29 6695.76 6631.26 6506.27 6374.12 7050.32 7068.8 6829.43 7727.22 7063.07 6711.12 7042.01 6137.46 6843.36 Asulam 12551.83 16153.79 9858.4 11061.47 11297.08 15000.02 12578.73 12124.82 13124.7 14162.03 11164.69 9380.67 8413.11 13022.69 13919.61 16425.84 11859.56 8850.61 22333.98 12049.15 10579.12 5703.21 7925.97 12213.97 15655.28 16121.14 20126.9 11976.94 23132.25 6960.44 10493.36 16195.24 8929.48 18005.81 14719.73 12014.74 14888.64 9548.9 13312.97 9186.46 8480.49 20252.54 16319.52 8306.44 15576.04 13201.5 19950.19 21482.4 19658.77 20086.49 10932.81 10450.88 12341.21 15548.56 6125.58 12919.03 6827.5 8378.82 15287.82 8420.49 6197.49 10948.41 10843.7 12427.26 7101.4 10271.15 9193.39 15448.72 10938.93 13883.61 15287.55 11128.4 14730.8 15251.54 14671.8 13595.56 14021.31 13725.09 13900.52 13881.43 13240.86 13595.48 13613.41 13582.32 Strophanthidin 2805.31 6697.28 281.9 16735.6 11124.88 10181.74 18386.93 3247.52 3649.34 2998.64 3326.27 233.51 10921.99 681.24 4077.63 2215.54 1853.73 2079.21 4339.59 2566.46 3121.3 2056.55 225.32 1398.29 3120.49 3471.91 703.76 2897.26 7218.71 382.12 2318.13 571.93 4420.65 1939.49 1399.92 2372.37 3271.81 2403.86 2774.36 10641.89 11181.85 2212 2715.93 3607.57 1823.5 8051.38 2977.55 2814.07 425.92 1680.51 1734.92 2092.55 1994.61 2296.01 8162.97 5453.2 1146.29 2848.13 4513.26 8539.1 3677.87 516.01 4160.4 3723.7 11435.72 3552.62 3234.65 3337.53 2749.16 6221.15 6220.14 2431.46 2812.43 1686.98 2666.57 9045.39 8943.75 8283.26 9104.91 4398.49 9032.97 8459.19 9856.96 9154.41 Cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate 644.88 668.66 3545.27 1066.1 348.23 4617.44 1368.42 412.35 528.01 675.01 690.47 923.03 566.97 378.48 292.8 263.75 383.93 531.13 612.33 309.23 402.45 1939.84 214.66 264.39 459.3 693.66 577.89 832.53 3420.86 3115.23 358.79 1944.09 372.61 436.38 358.03 375.39 537.53 4550.18 409.62 445.84 554.04 333.93 380.55 406.15 578.68 286.07 464.71 941.75 490.92 829.19 307.59 785.33 303.64 785.92 260.1 658.29 1896.22 2680.1 206.8 2943.84 368.41 1017.38 248.62 539.94 319.83 461.65 274.04 451.13 402.67 644.06 551.74 555.23 439.86 377.78 447.17 1350.74 1376.76 1342.72 1321.56 1317.54 1259.68 1409.45 1558.02 1382.26 Salannin 5748.66 1298.98 4489.85 3231.72 1746.66 3710.68 976.07 2422.58 6559.9 4596.08 4662.62 622.57 7224.45 11046.22 16208.27 1934.11 17392.03 18524.74 2582.99 17468.17 6787.81 6019.17 1466.67 8178.88 8737.68 5985.53 4891.76 1020.85 12653.33 1059.83 26427.14 16655.95 3134.95 4185.33 7178.25 10672.91 11480.74 7129.15 2692.59 7035.47 15009.71 20750.83 5641.44 1127.54 11083.91 2151.47 12733.77 4524.3 2372.51 16672.01 9853.64 4513.41 1680.8 4231.43 12197.83 18208.97 4677.88 4009.68 4377.84 5299.04 5848.75 1116.72 10927.25 1623.95 6438.03 11080.18 7912.36 4530.09 12054.4 8562.44 853.94 2996.78 1716.65 9245.61 2158 7405.83 6501.75 5076 6430.24 7045.27 7172.7 6813.57 7273.5 7843.51 7alpha,17alpha-Dimethyl-5beta-androstane-3alpha,17beta-diol 3363.75 1850.66 2235.02 2501.68 10393.34 4141.87 4306.52 7588.12 10010.55 439.2 2982.08 7450.51 3565.43 3345.64 1128.01 4385.71 2490.17 6975.28 4570.39 7705.98 8045.37 4350.01 1421.33 3408.04 389.31 871.93 1023.26 3151.17 8087.66 5778.19 460.29 1299.92 6978.23 2600.01 3068.68 11355.08 10018.73 18400.96 3159.73 3169.32 6808.17 10529.44 813.5 2550.14 14829.91 2320.36 11540.03 7804.51 1353.13 441.34 5250.86 7122.74 2923.92 3110.77 7626.02 9275.54 2371.31 2279.16 12978.42 4434.69 2626.52 2806.44 10364.75 3055.01 3065.54 11069.5 34029.08 2868.64 392.3 9340.59 9123.79 5357.03 659.27 3170 3513.21 5797.09 6042.88 6025.1 5909.11 6000.17 5770.63 6065.58 6359.61 5953.26 Cerubidin 968.48 11173.06 967.34 1320.15 8851.91 3419.86 2447.05 1785.83 2152.25 3167.77 2287.91 4928.66 2638.69 1904.28 3243.08 7156.04 5128.73 7444.3 1881.38 2645.62 1052.82 819.98 2065.73 3166.11 2545.34 4056.08 1836.84 1381.01 9360.2 3505.32 1951.44 2308.84 7646.44 2534.39 3653.66 3447.73 2280.73 687.05 941 2533.16 2380.48 766.62 2980.95 1611.76 2497.16 2869.74 5935.59 7199.67 7443.6 4217.26 2400.34 2574.36 4051.05 1902.32 2162.34 329.37 612.52 1156.98 2158.45 1866.31 714.46 671.15 2423.13 1113.79 1681.85 1197.42 1736.29 2961.73 2352.68 2913.1 1866.01 4899.09 3056.69 1225.69 652.85 3981.76 3830.89 3175.74 3803.9 3570.32 3978.44 3504.03 3830.8 3259.23 prostaglandin E2 1-glyceryl ester 4606.9 4569.99 54402.32 21068.74 20750.87 22933.55 17906.99 1534.02 3894.64 7833.76 4615.59 13303.09 18340.12 3870.98 3358.07 59633.39 4296.37 2955.76 5352.45 1143.45 2637.62 1576.7 3692.93 1076.89 4911.19 3683.67 3130.96 721.18 1445.88 588.89 2966.43 4328.69 2202.83 13739.18 7918.33 2192.33 13983.48 14262.78 6135.95 7312.56 5763.02 4825.11 6034.39 5006.32 1840.95 7060.89 3934.41 1613.81 4552.93 8885.52 1898.92 3820.45 10259.36 12966.91 1985.14 7155.92 78329.22 10640.79 5492 25495.68 4667.55 7867.3 13665.02 8572.95 6603.66 9754.29 7536.54 5059.67 4924.89 5538.37 7698.05 4582.7 7826.72 13949.57 9734.15 11113.27 11580.72 11067.83 11577.39 11314.58 11054.47 11646.6 8783.21 10987.55 Chamissonolide 55158.24 49950.26 37741.15 42174.34 2567.57 4672.34 76473.57 76868.92 91287.12 58362.48 43843.8 69581.99 50024 47526.62 73917.03 71718.79 31997.88 2629.64 94025.44 99811.08 67064.64 1617.49 42491.44 49466.4 68435.24 82089.64 45686.12 56062.86 95254.58 43162.83 57604.83 103727.59 49698.33 66626.93 50004.92 49315.11 64243.64 23956.29 39706.47 45957.96 93563.78 112885.94 16405 34907.15 71201.15 67154.61 93550.17 58253.29 54239.92 97264.21 67509.25 52981.34 47310.7 33436.2 20226.72 53857.08 23162.84 15462.16 59895 31317.44 26633.25 27239.7 48256.23 35804.65 21513.83 67868.3 82340.43 45236.99 34624.21 65377.06 68786.99 62623.52 51707.99 58964.12 58556.27 18790.74 17128.16 19537.25 17166.83 17396.99 18722.3 19340.23 17353.83 20802.35 19926.3 18674.3 17772.25 19078.33 14666.61 16108.28 14328.17 18869.77 18487.53 17843.76 17910.77 19986.97 20301.3 17193.23 17523.15 15767.47 64845.54 67192.47 65261.12 64825.53 64824.23 65115.65 65265.47 64815.18 64815.54 Byakangelicin 2453.81 9257.58 5982.12 9235.42 9240.73 10810.58 10218.93 4637.94 3763.09 9098.2 626.28 10647.26 9806.48 8143.44 668.03 6975.26 8574.15 8737.75 11961.17 810.32 1002.34 3856.84 11621.27 10924.5 9110.75 4454.48 10962.41 9043.41 7987.47 739.13 3282.7 13776.41 5259.83 8807.55 10700.88 12236.89 7056.76 7534.47 8192.67 9565.85 1384.69 7138.07 9830.01 6448.93 6887 9738.95 6879.24 13118.01 8907.63 11338.25 3742.69 10187.01 9945.23 10538.73 4220.03 10399.65 2883.82 4829.62 3758.22 6002.51 9744.63 12021.64 2335.09 5002.8 4769.9 12326.29 3452.93 9506.01 7520.13 4150.39 2272.42 9611.75 4318.68 10987.76 9210.75 7385.09 6280.31 6534.35 7365.6 7706.3 7352.03 7371.21 7345.28 3932.06 Levocarnitine propionate 1400.31 6618.92 4679.61 5358.52 3621.97 7572.43 4938.66 558.9 1137.62 581.02 1108.16 1687.77 4507.39 1132.39 4926.55 6486.1 3563.33 2291.52 2939.65 2059.48 3335.3 2732.37 3151.03 2433.49 1071.29 2377.58 1579.15 679.53 6126.76 1299.74 2208.59 1903.84 1244.69 2886.52 1739.67 1028.4 957.34 3506.53 2060.71 1813.1 2192.62 2207.51 2752.42 2891.5 1752.34 6333.96 3163.66 4383.88 2783.99 6538.68 1426.56 3074.11 1651.93 2925.8 878.55 5648.19 3471.43 1742.87 1564.56 7114.18 5667.06 7174.12 1349.1 3504.21 2198.27 2983.92 6659.8 3184.95 2977.62 829.31 2492.56 3263.67 1641.87 5762.08 6095.36 4386.83 3616.11 5889.7 5198.4 11258.57 5212.4 9025.6 2393.18 4905.01 5701.63 6532.32 3856.73 4249.69 2385.68 4431.05 2069.74 11587.93 8818.13 5791.63 8171.02 6143.28 2682.8 3166.26 3814.32 5655.06 4045.44 4071.29 4266.75 3972.62 4061.13 3873.36 4071.09 3791.58 3829.61 trans-4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid 15183.48 13013.12 21215.86 18648.73 7386.93 9032.15 15895.49 6700.2 14585.53 18837.92 19436.94 16130.76 50361.96 18736.28 11840.37 21045.86 12161.62 10494.72 27933.86 7600.63 7503.91 4204.01 14782.4 20902.09 10297.63 18854 15519.08 22088.67 14913.02 13112.86 10929.02 28589.24 6027.09 22538.61 22085.12 10045.87 13385.84 13839.56 14900.74 17371.64 6282.4 16187.99 24317.4 15214.09 5196.64 18028.56 14751.62 26476.38 21615.41 30465.24 10030.36 11241.27 24333.83 27337.7 9231.72 10548.61 13109.87 11584.66 8132.93 3907.42 12814.15 21433.46 7375.26 17985.32 15293.39 12729.16 10698.02 20787.82 34007.84 12173.55 18647.33 22294.16 19905.25 27854.84 24799.58 8258.52 18622.42 17536.67 15503.17 15360.88 14821.23 16389.5 18810.59 12178.63 16687.59 15936.57 15607.65 10704.28 17599.07 14726.53 18402.93 17235.85 15392.27 16158.69 15343.48 18138.91 15141.74 17277.48 17798.71 14812.35 17057.29 17394.5 17057.83 16612.48 17047.82 17059.7 17188.6 17240.09 17368.23 S-1 Methanandamide 1502.13 1054.94 495.39 1570.82 2791.21 1960.17 3682.46 1086.72 985.1 337.7 1357.54 1168.98 917.77 1519.81 1347.13 1039.64 755.69 704.05 1003.44 1602.82 626.16 1051.5 956.81 793.99 725.92 1418.86 1223.53 506.34 912.1 2068.87 1160.17 2798.32 1615.81 298.71 1049.82 759.6 538.01 479.64 1011.83 1279.33 5998.18 1231.44 1080 704.39 789.52 6888.65 599.25 719 1263.34 6382.19 1062.17 3893.08 958.15 806.65 802.72 881.88 1196.2 1095.38 936.49 1160.08 1282.88 1472.51 267.95 1321.08 1064.62 1178.56 889.6 1286.23 860.73 1594.89 658.03 496.35 1418.17 2341.31 1899.59 2367.34 2350.41 2518.58 2346.79 2348.71 2204.07 2397.87 2360.17 2396.77 Ser-Tyr 19922.1 11698.37 9366.96 9384.91 1608.63 3802.69 22319.32 7838.71 20719.67 13707.42 29447.76 12627.33 17265.74 15641.74 3631.72 4070.39 12866.16 9224.81 11195.51 8550.87 27128.53 18848.88 16046.39 13313.17 12092.81 11013.41 6297.18 24568.29 9904.85 16589.78 6176.66 11007.48 14794.81 12803 21432.93 16223.15 20976.97 18919.6 14904.12 20447.36 19480.67 14266.11 15472.81 22002.01 8800.18 10192.84 9745.51 11695.8 9281.64 8952.58 20359.62 9683.23 16014.27 16877.68 25617.48 14707.94 19265.07 22023.61 11690.02 14738.44 27028.2 20439.49 17488.43 13744.61 18885.23 19602.57 11744.11 18495.55 21450.29 13903.96 16313.59 14379.51 22352.75 12668.6 17768.1 14774.62 15046.41 15977.01 15607.76 14779.72 15965.16 13896.72 15477.75 14767.17 Capsazepine 15670.4 17938.24 21881.62 24328.21 16852.45 3603.18 29612.93 20566.81 19978.72 27251.43 33412.51 30969.6 30045.34 31060.65 13589.27 40550.53 24368.77 11589.05 42661.86 16490.94 22353.64 937.18 26087.76 34583.8 18482.71 5790.19 37219.92 44130.09 18140.04 17962.04 15877.35 55308.87 9725.21 32426 30102.61 17563.9 15428.95 14597.67 32446.75 28652.64 14422.91 24088.03 40555.89 28519.23 18490.5 29536.04 17905.3 39288.81 31879.89 52120.88 10184.72 14368.4 36580.98 39030.51 8141.99 1293.57 22456.79 12111.09 15505.3 1799.58 25816.99 22843.16 9553.75 27509.17 24799.01 17046.18 18439.28 35623.97 32279.82 13781.92 15161.45 30994.59 31704.76 32354.76 35078.6 23648.43 23843.68 23802.43 23257.17 23652.24 23665.69 24699.39 23982.69 23971.98 5beta-Cholestane-3alpha,7alpha,12alpha-triol 42562.22 56853.18 40278.46 66134.58 82261.21 104652.77 23182.39 39442.22 50284.74 32950.32 58362.71 126685.74 136863.27 105394.31 46182.38 68176.11 1625.45 99063.64 113709.19 107770.57 103112.27 5130.67 56135.23 51153.6 49167.88 67489.57 43776.13 76845.69 98134.61 126810.31 86566.01 213529.74 25402.35 95155.77 58255.6 72978.04 37452.17 77537.7 73110.05 52290.3 70183.39 100277.5 57658.9 50597.96 77382.8 84099.91 49476.63 74976.46 98588.75 233131.27 75663.25 81247.95 107273.66 171722.65 42607.97 58268.64 20790.9 33451.15 42966.6 14950.52 30224.71 46406.84 37784.59 50330.28 45191.77 70114.23 146033.45 63473.07 49129.35 44099.48 43903.74 39776.68 74201.23 68730.74 93381.77 85057.77 81776.21 81886.95 81874.25 81978.74 76941.43 82021.16 81987.81 80726.13 Lys-Thr-Tyr 780.42 654.23 390.46 169.83 26899.34 20868.89 4297.28 331.56 933.57 809.2 514.56 540.47 240.02 256.33 872.95 217.09 500.06 681.16 736.94 567.76 694.02 275.51 200.68 1077.64 364.22 230.94 1079.68 669.25 884.75 829.51 1013.34 1882.58 516.11 137.77 1020.75 371.94 268.53 185.13 974.81 224.84 5137.56 1641.81 1083.67 615.35 397.27 173.31 294.1 987.46 563.67 674.65 849.94 1319.25 896.22 226.9 203.47 393.76 1235.07 534.54 972.16 375.42 437.36 1445.12 197.51 979.89 187.65 1507.88 910.51 143.65 415.75 141.84 624.68 213.18 362.98 871.51 1727.78 2672.04 2593.23 2458.81 3010.73 2628.84 2679.32 2698.46 2349.57 2589.31 Rotundine 7987.67 13982.58 43161.58 15010.47 27321.89 4600.04 12991.99 21670.23 18555.46 15340.68 15664 15806.29 13361.14 13667.2 19431.14 28994.09 26240.58 13489.68 32930.02 16226.99 24933.14 16065.88 41149.67 21553.79 22197.47 3203.76 7811.7 10162.54 27943.67 15972.27 5375.13 14725 34704.54 23679.4 17567.84 23867.59 16559.8 6842.43 16707.12 10241.93 9222.5 12799.69 21833.27 6050.47 11927.22 16745.26 23803.15 26150.17 23361.49 22627.57 13642.21 24180.54 26641.49 23631.84 22850.28 17304.2 20562.46 14562.63 21300.65 3313.65 15812.56 20353.84 21465.96 44447.45 21039.22 17893.24 9072.28 15002.4 8852.06 20464.51 11042.63 13453.6 19202 31334.59 16067.04 19985.48 20022.11 19192.99 19529.82 19408.13 16098.71 19986.66 19860.79 19995.41 5,7-Dimethoxyflavanone 92556.62 45697.83 20934.03 15059.65 60107.62 51296.15 38413.96 77687.06 161040.62 57226.44 29843.21 49220.56 36797.17 36797.06 72522.52 48427.13 24830.5 51171.44 47564.82 92895.83 71281.48 10749.64 23699.31 29922.79 84418.42 64060.6 40037.07 57433.05 68070.28 67138.16 84667.52 59032.1 69819.68 32987.68 23719.66 74236.31 64151.58 31094.79 35454.43 37779.69 106002.68 107489.58 26268.75 25595.34 65526.65 33331.65 78664.37 37781.45 62906.81 72479.53 70629.75 46941.43 28578.53 35182.65 55084.76 41062.11 11936.8 13694.09 55984.57 31020.61 26920.49 24642.6 39689.12 23460.82 29847.97 83788.61 123020.67 42307.32 44486.54 65000.42 85255.1 49937.76 46224.62 27504.88 32554.22 56357.28 56038.32 56357.76 56271.1 56008.13 56026.16 56044.11 56007.33 56360.91 D-erythro-MAPP 2432.35 1963.26 2094.14 812.22 2403.38 3402.46 1510.25 2947.75 2043.87 558.13 597.92 1888.89 2361.85 1363.67 3472.55 2040.44 1650.27 3907.3 4693.55 5838.09 2356.24 2664.52 699.42 2078.88 1444.45 1710.74 2980.76 2602.62 1776 1345.58 3840.25 3919.83 1070.02 1157.11 1376.53 2865.66 1779.52 1296.69 1280.75 1020.08 3258.6 5713.7 732.08 1078.37 2447.28 3666.89 2259.98 2071.61 1614.62 11683.79 1768.74 741.2 1070.74 1817.67 1794.31 602.72 739.58 801.26 734.75 626.12 1734.01 1979.03 1155.71 1334.02 990.37 3018.25 802.21 1518.92 1087.6 666.62 746.88 594.42 1208.49 1860.81 777.69 1675.85 956.33 1629.73 1629.93 1778.48 1929.78 1637.12 1633.69 1620.9 3-hexanoyl-NBD Cholesterol 1587.23 5184.58 5572.89 10554.76 488.94 2230.11 4219.1 2687.26 951.95 356.77 902.31 1567.92 1477.05 4832.48 3236.82 654.43 9097.83 7306.84 3775.67 6226.27 3996.07 5413.17 4119.39 1596.08 2481.65 2470.99 2868.79 2227.01 3565.29 2762.06 5735.86 5406.99 6469.99 682.8 12133.88 2260.07 2260.01 2602.07 2024.15 2642.68 17719.1 21231.09 2589.36 1729.65 2528.25 78744.09 254.36 2399.36 1975.83 6385.94 2656.15 2693.59 2604.52 4259.2 2244 2208.4 2015.09 2225.16 1801.42 2039.01 2169.61 2181.91 2477.45 2480.13 2760.14 18919.69 2829.87 2338.56 373.53 2094.33 2555.26 2650.25 2432.21 10290.61 3362.66 40353.09 6229.7 33841.94 35524.16 21279.96 55821.06 49111.56 37905.63 40192.81 17329.2 24538.07 37193.83 15951.76 34396.18 18811.68 7861.02 21338.64 13111.82 32877.39 21536.83 14530.54 18925.7 35619.12 21003.97 39680.85 8079.33 7575.47 8086.52 8373.64 8134.35 7421.56 7521.41 7434.01 5103.9 His-Gly-Gly 1962.62 1570.23 2469.13 2347.86 870.13 1854.82 1748.49 2445.08 620.09 2263.48 1027.62 746.6 2160.78 1697.71 1815.74 1800.18 3280.02 3248.34 955.58 1766.08 4720.22 1325.56 1945.66 4873.77 810.73 1513.5 1561.41 416.94 9867.21 1903.91 2205.31 1127.56 1704.56 3993.16 1262.67 3197.92 3289.46 3409.53 2728.4 3507.4 4086.45 2715.72 3948.7 5743.8 3910.52 4698.61 10423.57 2313.29 2641.83 569.18 1522.03 1192.14 3499.7 1708.93 3602.13 3925.62 2586.7 1453.01 2749.95 3117.76 4761.03 3700.88 5338.68 5647.2 3548.77 4232.74 1499.18 1350.14 2758.69 4470.51 3679.22 3561.25 2774.61 4304.54 12152.25 3382.48 3277.48 3138.35 3361.11 3286.48 3491.5 2865.22 3361.29 3360.33 Betamethasone dipropionate 97005.51 52587.27 85511.32 45930.44 38446.98 72988.3 45437.41 671.59 56776.93 91682.71 56488.18 34345.94 37798.82 47844.87 53313.39 71868.79 76128.2 109230.62 59946.72 3021.73 61529.63 45411.36 40126.44 24097.88 65935.72 43337.72 109218.78 75747.53 44671.25 76438.7 1899.19 1588.54 54395.97 78232.01 46938.07 70063.13 69212.19 62211.17 92267.98 47529.04 71846.25 82787.43 100285.23 44431.34 84851.89 45498.31 65543.71 66198.33 47545.71 37204.71 83247.42 46149.82 91139.9 55019.33 74860.13 62712.86 91142.78 108475.48 101481.08 91904.25 115415.94 65509.01 79549.21 69150.32 55694.78 65749.44 28964.77 62090.71 49133.62 59014.61 79971.9 102107.36 70701.62 50540.36 78856.55 55771.41 61304.3 70152.84 55269.03 60960.45 59032.5 58579.09 60651.87 60837.95 1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride 4976.16 4533.84 2529.22 3249.79 5034.59 1771.97 4703.07 5819.56 8141.54 7443.13 4766.01 6425.44 3091.29 5433.14 2681.5 1405.78 3619.45 6171.72 6418.46 12150.59 7612.31 2402.16 2773.75 4925.26 7300.19 4240.21 4058.1 6870.82 4117.71 8308.55 3681.69 3752.67 4604.23 4648.92 4228.63 4775.32 8152.09 5632.81 5017.98 7088.08 7431.93 2613.47 4445.72 4416.44 6554.2 5876.78 6363.53 5545.36 5957.66 5404.78 5957.25 4405.88 2871.03 3693.57 6836.63 5804.41 2658.69 2678.65 7033.32 4214.11 3335.2 3146.48 5013.42 4760.42 7153.68 4596.2 7343.69 7761.52 6925.79 7584.37 6708.57 6006.26 8474.28 5219.43 4178.42 7246.24 6450.24 7340.65 6881.08 7273.38 7280.69 7253.01 6576.53 7224.76 Pymetrozine 6057.73 5803.73 4012.3 5645.5 14860.34 12416.04 1666.57 769.98 2646.38 7074.41 5849.24 4008.38 7435.69 5317 7658.28 3674.46 2957.41 7639.45 6647.19 6147.51 3678.02 6198.59 3399.46 6188.94 8168.68 8046.52 4882.2 5033.95 14106.1 6392.45 8826.12 15194.04 6177.56 5325.03 5881.02 7969.86 6613.11 7767.24 5104.21 3765.96 12203.26 12932.68 5836.2 5368.24 6702.68 11545.76 8848.31 5371.33 8875.94 12945.72 8659.49 7048.19 8914.75 8783.94 4697.2 6195.51 2860.8 2944.98 8508.01 5648.72 4207.34 4918.02 6052.31 8403.17 7252.08 12494.94 7824.16 7915.22 5636.3 8416.95 5728.43 6673.77 6035.51 6465.04 9629.34 8487.36 7352.64 8451.25 8226.15 9161.71 8223.07 8276.64 8488.16 8480.75 4-(2-Pyridylazo)-N,N-dimethylaniline 4815.26 4386.25 8231.44 5388.23 7764.94 15153.78 25275.08 2919.93 2991.99 8854.57 11396.17 13257.03 10297.61 10205.17 5879.33 15765.05 3513.82 3972.64 16129.72 6896.26 3405.39 3230.24 21714.75 10202.57 4076.95 2334.43 8328.92 12514.08 4371.1 3019.13 2985.98 20821.59 3425.66 10818.53 6001.35 4479.78 6110.99 4797.19 3839.15 7801.24 4359.52 8603.94 4302.91 4475.76 4195.04 4897.88 4399.41 6363.43 6320.67 11163.39 8897.73 3841.96 5206.46 6104 4883.96 5390.59 6144.57 6618.44 2964.85 5675.7 8263.94 5749.28 3601.8 8070.52 5808.97 5096.74 4070.53 10866.23 9319.1 4932.04 4894.94 12026.28 12561.57 14231.77 7043.42 7176.44 6898.22 6130.89 6920.38 7368.44 7034.28 7156.5 7170.49 7128.84 Chlorogenic Acid 5270.9 4960.88 2156.56 1380.61 7615.64 3463.57 3339.9 4055.8 2229.31 6469.3 1133.42 743.34 4187.66 2494.62 6998.81 3491.1 4609.07 3132.63 5272.1 1557.52 1256.19 2442.65 1765.17 3566.32 9126.42 5139.88 4147.51 4120.89 7457.15 2417.19 3317.72 5302.59 3823.49 2336.72 3849.14 4847.13 3079.01 830.03 1955.94 3879.65 1679.17 6820.94 4697.67 3626.8 3730.76 5320.35 4799.39 5881.32 7700.92 5798.95 3775.99 3089.36 4278.34 8846.6 3852.49 1313.06 3421.81 2128.68 4179.11 915.24 939.11 2252.39 1659.81 3019.27 2241.94 6587.2 884.74 2992.98 3619.28 4842.55 4296.14 3075.56 2082.35 5642.04 5354.84 4969.15 4980.97 4619.43 4769.41 4975.28 4601.11 3301.91 4638.76 5699.21 Bardoxolone methyl 2970.22 2565.08 3072.73 3879.63 2831.23 2500.48 2496.98 3404.65 732.75 3853.88 2956.51 3521.43 3749.39 1597.46 3452.44 5298.06 4538.73 4555.17 2880.68 3224.9 1877.89 4473.28 1763.33 2841.99 2053.49 3458.98 2907.2 2779.58 2860.02 3541.97 2664.09 1811.08 2715.96 3823.52 3693.44 2824.5 3133.92 3322.16 2311.61 3135.28 3452.26 2311.49 1796.35 3365.36 2112.38 4238.53 1420.63 2747.63 1295.67 2967.88 1491.84 3076.43 3147.26 3380.56 3069.7 3078.82 4105.97 3123.92 2482.42 3886.71 3209.63 1566.19 2953.11 2190.2 2123.28 2000.28 2184.03 1628.85 1479.91 3147.36 2601.31 2282.44 1301.8 4940.62 1551.14 17197.19 13424.98 20928.07 21468.39 18657.62 18953.04 13975.37 25038.78 15079.77 20741.12 12073.57 20731.77 19810.52 20088.05 9622.87 10762.06 11083.69 10835.53 21204.46 19307.75 13459.72 14395.81 20217.6 10748.7 12347.21 2855.68 3358.05 3463.41 3434.97 3345.12 3344.53 3468.01 3452.64 3435.76 Semaxanib 6156.57 14399.56 1513.91 5059.35 24168.89 2846.6 4292.84 13117.92 7276.77 2964.37 2501.94 5375.84 5760.27 4474.94 44223.44 14259.08 9547.68 40602.14 13070.89 19075.41 21292.69 2990.62 815.42 9231.54 16690.96 5874.94 6707.55 7424.89 11061.04 4061.37 27626.24 12726.77 1984.25 1734.02 4356.88 12595.15 13150.47 944.66 986.37 6827.33 73848.96 27875.55 8037.92 6087.3 11647.18 4942.28 32668.65 8059.18 6221.56 9470.58 1872.24 2942.85 3011.6 4266.58 36503.91 23211.06 4913.79 7443.78 16812.61 7228.6 9206.2 1271.58 12197.53 5974.54 6783.49 25109.16 10637.95 5364.92 29205.09 23550.23 4120.47 13939.95 3677.26 5505.34 5397.93 13194.17 13302.05 12941.32 13280.09 13124.51 13566.25 13308.44 13225.01 13201.35 Bifenthrin 291.61 205.92 230.58 271.04 570.49 203.41 1051.12 433.4 309.11 81.77 80.83 171.85 1308.56 186.43 93.03 239.75 83.7 381.59 312.51 161.87 165.84 212.56 208.49 179.69 92.56 131.45 282.13 207.75 124.81 272.09 127.37 401.52 324.09 590.8 148.84 415.48 95.13 573.91 450.22 82.25 1191.57 873.48 80.06 781.02 1156.03 612.72 455.94 1392.43 477.92 813.6 502.3 456.08 163.82 657.61 248.48 2845.49 284.31 334.13 122.17 162.1 264.56 85.61 542.53 275.25 240.75 103.34 436.26 694.8 506.67 653.32 604.51 133.11 408.39 281.88 422.12 2126.47 2358.51 1790.45 2466.32 2128.73 2392.43 2737.9 2329.02 2351.36 Nandrolone 581.64 265.78 5852.3 577.64 1850.19 5166.77 1235.42 1092.87 1189.69 353.62 1024.16 924.36 3520.59 3088.82 487.55 323.69 1150.93 718.76 653.86 1398.92 1103.46 9990.08 430.85 911.2 860.12 284.16 403.36 570.27 1016.94 2375.65 484.3 3055.67 230 1927.08 1729.99 1040.6 951.67 1746.68 1348.68 929.22 13041.25 3135.5 1149.28 1081.34 2552.99 6485.62 1533.4 2784.55 970.53 2662.35 1074.21 2237.43 1910.24 2640.66 2185.54 2177.85 2134.99 2443.24 1177.91 5305.48 1620.56 1608.99 1296.7 3016.48 698.09 2590.58 481.91 653.27 3367.31 547.21 609.06 1705.57 183.86 3984.43 3057.88 5040.09 5030.35 5005.02 4817.69 4784.63 5247.78 4458.23 4914.05 5042.48 6-Methyl-2-(p-tolylamino)-4H-benzo[d][1,3]oxazin-4-one 1116.9 1338.28 2043.22 554.26 8284.12 2401.4 551.79 2967.15 5815.23 3963.98 4448.05 1124.94 616.04 1515.93 2592.37 1776.45 1773.13 1702.26 2596 2033.41 3802.24 3074.23 1384.98 5203.68 11311.57 3142.38 2991.84 11999.89 3726.86 4560.56 6875.88 6030.69 1814.56 2244.48 2013.22 9038.24 4959.83 3646.34 1169.82 1309.37 3313.41 3504.02 1185.84 870.59 1502.25 3023.33 1371.31 741.81 1733.98 2511.7 1816.19 1340.65 2346.32 787.77 1474.12 2681.18 1895.5 1849.32 2766.91 822.29 1178.42 2151.04 1775.99 5470.26 3104.43 5368.6 4412.14 5685.09 2779.47 3853.53 3437.11 2808.28 2683.05 1475.11 3254.75 1053.01 3086.48 3509.02 3293.95 3285.34 2905.2 2995.3 3283.67 3283.42 DMABA NHS Ester 2638.26 7561.08 4215.95 5156.44 3571.58 5003.03 4550.03 5983.84 4284.11 6349.39 4016.43 5627.27 6344.51 2334.6 6551.58 5634.9 7530.72 3488.39 10251.98 4943.88 4914.21 3680.88 3987.77 7369.52 5116.55 5387.7 7333.04 6310.22 9809.69 2237.24 3532.22 4473.33 6594.11 5388.37 5615.17 3178.47 3513.82 7070.42 4435.08 5936.68 3628.5 4277.23 6512.21 5565.74 6639.07 5441.14 7816.07 7126.03 4868.73 7661 3269 7061.21 5665.7 7140.17 3476.57 9124.8 4100.71 5606.58 7613.4 4976.13 4726.54 3786.17 5307.86 6013.59 4341.43 4932.25 10038.24 5087.97 5520.65 5484.54 6254.56 7013.26 5539.37 7557.29 5200.67 5602.1 5604.28 6013.27 5701.14 5488.15 5699.18 5600.36 5691.97 5607.01 1-Phthalazinamine, N-(3-chlorophenyl)-4-phenyl- 828.62 1146.55 900.29 3536.87 10782.1 445.73 4679.15 836.34 2482.86 833.73 1313.99 2218.13 1109.26 538.97 946.18 985.78 1305.69 747.84 1878.34 1701.86 3250.24 1545.25 494.65 1772.78 1195.4 475.06 1174.41 1668.22 441.07 905.18 1172.38 1852.67 1072.87 2019.45 2814.86 1044.11 2305.04 670.76 674.66 1168.08 716.77 870.9 1638.17 1816.11 1321.54 3581.85 1093.18 2101.72 1432.8 1126.34 1935.5 3977.18 880.11 2746.21 2137.92 1348.91 2015.48 1631.07 1016.99 3277.08 1105.83 543.62 2001.65 779.76 1382.8 1330.48 4082.15 1956.91 3867.58 1213.6 968.3 1941.88 2139.76 2680.4 1503.13 1693.2 1660.12 1482.22 1585.2 1478.6 1719.76 1236.9 1851.92 1868.56 Sporidesmolide 1 22256.46 22536.51 125867.78 45321.31 24607.23 28005.98 49959.4 52259 25130.75 24005.51 53557.47 22747.57 32146.35 32421.01 36241.93 1783.68 35233.53 23217.96 1301.48 2064.18 31691.03 550.11 45225.2 72945.88 43402.1 28379.82 49727.5 45526.25 73043.11 7219.47 2526.72 76364.92 1273.93 115466.78 84454.57 60602.66 27095.74 8606.99 49312.18 32449.11 14461.73 32908.91 94096.81 18871.32 27291.88 43587.91 34658.38 125542.46 132438.21 99030.85 31425 48237.66 132221.89 95807.18 38556.69 23290.86 37826.87 39855.53 25978.71 6044.78 75533.03 31747.47 43821.39 147318.61 41513.59 28599.96 2264.86 32929.53 27067.33 43876.05 15839.08 54967.07 58208.95 89439.51 87699.35 38239.22 36685.02 37151.13 36942.62 36155.02 36941.86 36948.7 36659.99 37159.95 Cyprofuram 10249.52 5559.16 4211.87 3707.68 4061.7 4676.45 2200.99 4328.75 4610.93 3117.42 2795.73 2550.81 3538.01 2682.49 3904.35 3173.93 2083.73 3968.09 4830.37 4862.17 3616.2 2391.85 2705.82 5098.3 11097.73 6014.78 5865.78 4776.24 7885.03 9192.54 8755.55 4635.52 2034.74 2496.19 2301.79 8101.98 7374.72 3061.8 2657.63 3700.71 3633.85 4567.74 1080.64 948.45 3244.96 901.95 4040.71 2009.29 2325.4 1993.16 3057.98 2457.16 945.48 1165.99 3001.94 1446.48 1023.66 984.92 2806.32 973.45 1629.12 1337.47 2260.49 1366.58 2469.02 3833.86 2791.11 2510.66 2149.92 3609.92 4127.07 3278.2 2369.59 1285.94 961.06 2915.21 2819.99 2825.77 3328.15 2769.03 2899.02 2821.4 2663.75 2910.03 Lathosterol 4146.97 1810.86 3685.78 10377.78 7934.84 4858.1 1607.52 816 838.61 2310.33 4300.03 3064.09 12928.62 4126.41 4005.03 7624.26 4863.57 22857.71 414.99 9291.2 362.65 4228.69 5789.5 5618.65 2184.68 2991.56 1319.57 3915.88 2703.94 3631.8 8180.93 11693.79 8040.94 3271.81 5620.78 3669.52 7514.41 2265.37 9948.78 5030.04 8879.16 9011.46 28924.69 2244.19 8176.15 46373.23 5637.51 5061.74 3053.86 10489.18 5645.62 6233.85 3811.56 7807.84 4113.76 7115.11 4175.66 8642.8 5954.45 6369.38 5638.19 2904.89 9678.56 8439.4 6305.37 13766.2 13506.85 4607.73 2043.83 4058.53 4013.87 10196.92 2174.04 14460.44 3452.82 8976.65 8957.74 9392.71 7068.55 8529.34 9583.75 10514.05 9177.89 9480.64 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 2449.24 2181.55 5686.28 6975.12 6354.97 2895.67 18688.32 1597.02 243.32 1392.51 2160.39 3236.37 286.37 3840.81 1572.6 5135.34 3198.24 3055.56 295.52 337.79 2320.14 2035.66 3509.98 2815.81 1336.5 2368.26 2591.69 1388.62 283.5 1943.58 2806.63 4391.9 1544.07 12483.19 4326.97 2374.79 1581.66 2923.93 1285.49 2032.47 3933.38 2902.95 1015.08 1095.56 1365.04 15754.93 1916.75 2082.47 2894.17 9575.08 1962.95 3562.23 1160.77 5579.74 1290.34 1964.86 1029.1 601.39 1240.4 810.98 930.58 4453.09 1783.01 1231.31 1096.93 2009.03 3661.46 931.61 950.1 1253.06 1467.28 1675.73 781.41 5675.36 32575.78 19618.06 556.12 6269.77 12093.36 10187.17 16733.76 19871.62 11428.6 13741.12 21399.45 19541.91 19949.17 17469.37 12138.12 14709.19 15077.62 18271.35 18450.59 14249.66 19251.61 21355.26 22275.57 13282.09 4558.26 4665.7 4660.88 4569.85 4607.36 4797.71 4564.18 4665.18 4373.84 Tiocarlide 375 528.17 695.56 780.32 18711.59 15125.75 14823.48 547.61 286.76 275.99 732.27 881.05 1104.74 1060.92 1388.8 1937.96 1377.22 1051.08 604.37 1250.07 525.08 1934.64 403.11 894.58 385.41 326.69 573.77 1623.08 679.48 608.31 1370.49 1201.26 535.4 648.99 958.02 1129.1 1081.65 1555.95 1001.31 948.66 6867.8 594.98 1230.54 431.39 460.2 3433.39 285.58 740.7 276.76 419.96 250.57 1106.35 1444.32 1431.37 496.73 1021.65 1229.01 667.06 294.31 689.61 969.5 614.59 746.96 1609.02 892.39 1094.91 1382.92 276.14 566.47 1001.35 398.53 897.28 892.48 1959.73 1829.14 1795.84 2188.84 2036.03 1794.34 945.78 2016.1 2001.56 2048.54 1911.95 Endorphine-2-trifluoroacetate 2786.3 3803.92 1662.6 8941.74 4670.2 2513.89 2934.39 2960.03 2667.85 2234.21 2912.76 26977.25 5763.97 1058.39 1767.17 1883.14 1465.58 3702.1 3305.23 2904.12 952 877.77 2206.53 1146.12 2537.85 1784.88 1033.17 1071.7 2414.91 1882 2657.68 4212.87 887.05 3166.5 4980.9 2772.66 2673.93 10898.26 2106.38 4901.89 10085.5 16320.11 2951.77 645.94 1381.52 7850.16 3012.88 5387.45 3961.5 5028.6 47169.94 2057.81 4255.61 6184.02 2229.4 2883.53 1178.22 628.68 2418.28 14299.86 2537.45 4984.86 1438.47 4898.22 2764.36 2930.18 2821.42 648.75 1560.84 2456.08 3795.49 2987.94 1168.11 1318.52 1878.11 3377.52 3845.36 3865.74 3354.95 3883.31 3509.41 3691.78 3821.13 3288.3 BQ-788 4894.88 778.38 858.76 5402.13 13052.08 11986.16 1291.36 1528.36 4918.74 914.09 5983.06 9991.83 10955.71 5703.98 1301.47 4989.85 3770.54 11500.88 10626.73 7257.32 5136.71 3315.32 4900.86 3550.73 553.74 1983.03 4788.65 5595.81 8921.36 9783.33 13426.26 13046.39 4704.78 11710.52 4693.98 6775.5 2904.51 6032.83 3556.16 4765.31 4324.93 7272.66 4210.5 3912.31 8877.61 1816.12 5103.95 3736.82 7471.24 15862.28 5959.14 6940.06 4092.01 8143.97 4538.69 5476.96 1635.98 3160.74 5158.59 1294.27 2517.48 4534.17 5548.98 4504.15 3935.17 9491.73 12873.25 4688.78 3340.32 2623.68 3413.86 3341.08 4652.45 2293.47 3235.7 5740.18 5851.16 5783.52 5802.95 5806.03 5726.05 5714.1 5897.41 5743.77 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)- 51046.14 74667.75 56018.57 60752.79 45854.43 69223.95 45899.73 55786.78 76650.15 48881.12 60557.09 60226.76 50961.48 65717.28 13777.04 59777.3 78086.17 87987.13 62087.01 69536.11 87531.45 48351.11 39175.46 53719.16 50142.52 85646.83 52443.43 59642.22 84806.31 70294.63 97369.91 63410.35 74128.15 53154.24 67451.86 67071.56 78367.31 54384.04 34711.41 90973.23 187392.64 49775.79 53858.58 56145.76 50180.86 26290.44 54790.91 58591.14 33984.34 78387.57 46656.75 79328.77 59824.52 68477.66 4439.67 76647.04 76290.4 72212.22 67709.59 70759.77 67953.4 34057.72 81075.43 60901.98 58197.74 69956.62 83894.54 63691.04 71568.78 53523.72 74666.3 57812.45 67057.57 66365.94 60660.41 75893.58 76473.48 75855.52 76472 75752.69 76387.76 76171.27 75846.13 76496.05 Bitertanol 696.92 2252.15 388.89 604.33 6229.33 1041.5 2561.7 1473.43 2336.43 1385.31 905.14 990.04 621.31 578.25 993.02 875.71 1458.5 1042.59 784.31 1180.29 680.69 1526.26 545.07 1115.69 520.29 654.74 1304.65 500.27 2925.81 910.39 4660.89 998.43 800.59 380.33 1256.55 1356.59 561.22 2227.94 523.82 573.57 595.62 695.13 2794.67 510.74 6702.45 625.52 1365.42 592.51 933.59 534.55 2241.28 1768.93 820.77 1084.44 429.64 981.19 448.69 846.58 772.91 1436.03 353.45 854.28 531.01 778.76 693.29 1256.89 831.87 644.67 461.56 566.69 2407.51 1599.15 465.19 539.93 401.74 1564.78 1321.22 1649.48 1616.97 1756.86 1455.83 1622.61 1266.93 1573.63 Nifenazone 76725.68 76812.74 68729.49 63735.41 64383.22 84786.24 75608.91 77603.55 78798.89 75016.56 55239.44 51246.48 59785.56 76996.62 72056.85 74389.03 69379.91 69946.93 64515.21 84091.38 69840.27 83850.37 56711.26 69049.53 70811.31 74114.04 70197.72 69535.69 79257.51 75055.57 64096.67 72169.05 62241.16 72786.75 74868.48 72299.59 77835.62 82695.79 70194.58 76293.06 81284.01 77215.38 70014.82 72348.73 75996.21 77009.52 76035.23 72193.96 63061.67 67324.42 72158.53 72487.62 74136.74 67323.3 66837.77 83461.02 67584.45 68373.8 78693.17 77216.11 69915.88 73619.3 80879.66 75519.72 55246.81 69101.3 85089.51 67646.45 71501.77 72788.44 75606.72 74105.46 76704.14 70676.29 75367.49 3295.08 5799.86 3218.81 3535.26 3814.87 2470.93 3135.23 3251.35 3413.94 3252.37 3607.12 2389.32 3105.22 5041.42 3533.06 3000.89 4083.58 4279.19 3676.06 3837.51 3066.35 3048.01 3644.28 3020.45 3380.6 75965.62 74328.08 75968.74 75376.81 75989.4 75794.49 75267.93 75273.22 75968.96 Guanabenz 424.51 6943.8 4022.12 4954.99 4844.26 4661.04 3052.65 1299.53 2846.03 5455.95 1048.61 2161.96 4652.23 2616.15 2387.42 2209.98 4182.27 1290.19 3743.81 1748.82 2319.77 3131.51 4245.64 3521.35 2085.87 1651.28 3599.49 1362.37 2941.92 2885.9 2047.28 913.2 2844.09 5957.06 5579.72 2828.69 1880.77 2722.79 2786.31 3679.29 2228.56 609.63 4228.92 2422.78 2527.55 2718.42 658.3 4575.95 2394.11 1770.86 1529.89 7750.04 4413.16 3707.27 2506.46 5142.12 3307.76 3942.04 1868.7 3388.45 4393.8 7616.63 2306.67 3642.43 2691.48 3404.61 2266.71 2854.2 1489.65 1788.46 2724.69 7609.16 2034.12 5402.14 2219.78 3914.05 3743.71 3915.68 3867.02 3915.43 3866.67 3894.37 3866.54 4028.47 Ginsenoside RG2 13945.39 1107.55 4375.68 3586.26 6619.61 4738.46 6952.47 24149.3 1469.01 17303.19 12288.91 869.15 9474.05 4025.8 4564.2 3324.3 4166.21 6393.67 10560.19 1916.36 13432.69 7777.71 2012.91 932.88 733.32 9378.45 6714.9 948.2 4050.77 13788.59 10961.21 3123.03 6675.86 6906.9 10597.12 4388.37 7675.59 10241.46 10242.55 8649.71 4914.81 12354.17 9911.23 9675.8 6820.4 2455.56 5063.49 6342.06 5756.45 6619.36 2469.53 4861.73 4143.68 4120.22 6302.27 8316.29 6638.41 6565.28 9322.04 6116.85 5547.66 11309.73 11237.28 12986.59 10466.77 8484.76 11487.12 9389.91 11609.06 10831.02 11465.04 10752 7946.25 8266.83 4293.73 20863.0 18736.59 16350.38 19156.89 17076.94 19700.37 20944.31 18707.04 14464.22 14352.43 17195.05 18955.83 18011.66 18779.6 15487.68 15871.24 14365.32 17756.78 16183.49 20437.1 15363.47 17877.63 16808.14 14084.77 13259.79 4311.72 4799.85 4685.87 4315.02 4452.24 4626.99 4637.68 4122.74 4639.63 Citalopram 39163.39 29073.65 24323.28 32509.16 179396.55 58544.38 59520.8 61248.42 47990.15 43920.59 37534.38 61913.14 69182.27 35873.5 43034.54 89133.36 34234.3 43946.01 82722.97 55019.34 60050.03 39396.1 37786.12 36652.37 44386.97 48415.47 44510.88 45572.79 71434.19 69449.8 43649.7 126466.05 11240.68 48125 27047.57 52043.28 41217.26 28635.6 35031.81 27565.46 65336.61 80444.92 40545.91 26325.68 50548.96 112756.53 46469.49 50655.12 80003.08 97821.59 59283.51 57238.23 43205.74 53814.03 40218.66 33334.4 20118.93 18315.53 43039.91 36131.63 29555.19 31218.98 33023.62 37728.46 54523.95 42679.85 46276.41 44844.47 33516.65 44543.51 30983.65 48086.09 36357.07 42624.55 105826.76 53106.38 54616.86 53773.83 52938.97 53518.28 52325.59 53090.52 54687 53415.34 Methyl 1-methylpyrrole-2-carboxylate 1401.98 2354.27 1164.25 1379.86 2223.3 1109.35 1442.39 5034.28 3679.29 3612.24 1051.6 934.91 1040.36 1547.99 1851.9 2186.89 1262.11 920.42 1201.05 790.15 5584.11 1360.17 562.42 1296.61 2146.22 1715.83 1961.19 1943.5 3497.31 2668.33 3120.91 1763.28 1117.07 1540.87 2330.13 1140.47 2316.64 1831.38 1398.15 1811.26 3842.69 1831.7 835.55 1357.22 1720.86 2202.27 3088.82 2336.57 1882.4 1862.43 1954.42 2423.08 2102.41 1967.42 1749.49 2051.71 1578.46 958.95 944.29 2138.47 1166.24 1536.73 4208.81 1745.28 3370.03 1534.1 2106.37 3644.73 2399.76 4529.42 4163.89 2116.88 1330.69 1696.81 507.66 7304.04 8363.96 3429.56 3955.24 3938.12 6980.71 3386.32 3384.37 3561.06 5674.55 4835.29 7155.65 3705.94 7179.83 6911.28 5312.4 6552.08 7580.54 7606.11 4437.9 3999.11 6760.49 6500.64 7193.39 6893.31 1872.18 1820.17 1861.66 1784.8 1568.66 1781.92 1855.15 1851.19 1794 Meprobamate 5463.27 5322.98 2927.4 2657.84 6477.3 6585.69 1172.62 1496.11 6810.9 5040.99 4049.58 3854.37 3965.22 2909.19 3988.41 5046.14 2253.63 3884.71 5450.1 5538.34 5136.97 3264.23 3038.31 3908.27 5655 6104.12 3032.16 2971.42 6354.78 2112.8 5762.56 4210.1 2341.53 3305.89 4343.29 5169.96 5145.79 5363.14 2477.26 3067.54 6625.69 5279.88 2759.57 1638.82 5592.03 4050.85 4319.65 2847.55 3460.6 3075.99 4518.79 4269.48 3374 3434.52 4325.72 3419.52 1895.68 2335.82 3630.56 1749.89 3025.29 3207.51 2648.7 3436.21 2568.72 5473.76 5694.86 3574.35 4170.66 4429.57 4678.84 5255.98 3014.37 3079.04 4562.32 6321.2 5868.01 4993.31 6250.06 6157.87 5814.56 5276.86 5859.51 7228.37 Lacosamide 778.77 714.83 485.95 1095.21 2959.44 843.53 8054.61 2537.94 1538.72 640.88 2242.42 3337.45 6365.25 2427.92 1464.61 2825.93 1540 772.67 2061.04 2671.88 1503.8 2037.25 2192.93 2121.06 844.52 2195.25 766.56 5273.75 1443.23 2849.57 1855.32 3654.32 1196.1 2744.22 2299.36 805.17 599 825.17 2220.87 2298.02 1057.64 1059.04 450.84 545.34 859.35 3148.47 1239.91 1005.94 3174.1 3794.76 1510.39 1231.61 3538.38 8779.1 1887.73 1040 1520.21 1529.15 1172.33 2254.62 1522.06 1724.25 1606.65 2455.82 588.43 2148.43 410.02 1567.15 4158.46 651.87 874.14 570.78 1566.03 605.71 5694.06 14114.21 10700.46 12705.52 12717.13 12476.52 10941.92 12011.67 12731.37 11869.74 12578.05 10962.12 12072.81 12233.83 11598.41 10111.5 10036.46 10245.78 11706.6 12828.98 13319.39 13000.67 12177.11 12849.27 12484.46 12307.85 1923.74 1817.51 2385.81 1705.22 2230.48 2071.21 1877.94 1927.32 1960.95 N,N-Dimethyl-L-Valine 880.97 2096.11 1057.19 1911.98 1744.5 2238.84 1971.81 1567.93 1531.92 523.58 1309.48 2534.54 2209.75 788.37 2932.71 1017.37 763.56 1359.51 3421.59 2588.01 1423.14 1486.92 1143.17 2009.23 1369.34 719.87 1059.29 565.72 807.53 2818.84 2528.3 2438.66 515.47 1637.08 724.39 1050.2 734.19 552.01 700.32 705.82 1935.26 1227.49 836.71 572.89 784.99 2217.04 2677.42 1974.29 834.68 2208.23 526.89 805.19 709.72 1233.92 2267.26 1220.97 1789.42 935.54 866.06 646.26 1422.53 636.76 959.06 1182.02 1085.53 1635.27 805.09 772.63 1021.4 1181.04 741.46 991.44 884.06 1083.07 1393.54 1428.3 1695.77 1480.88 1646.4 1489.87 1418.06 1496.21 1804.79 1565.85 Diphenoxylate 22359.53 14637.15 6089.55 3860.4 4754.2 17938.87 1905.21 9883.41 2177.15 8230.12 10668.66 3379.14 16219.92 6339.81 10306.31 2177.98 1535.83 6450.48 7149.75 1252.89 1686.21 7260.5 6661.65 1380.31 14338.8 13631.12 4339.12 5483.53 2404.24 8671.85 5913.98 7602.3 7265.73 6850.56 10277.98 9574.67 28928.62 1159.29 10636.91 23596.13 2819.32 15908.84 12122.94 19672.06 1882.36 2714.72 10579.41 6544.43 8512.28 10917.09 10452.88 14091.46 17257.03 5994.65 24873.3 15722.67 12962.37 11598.43 16532.57 3612.2 6738.85 40747.8 16906.79 7099.99 7447.89 17656.32 5793.47 7869.04 13583.02 13238.15 6930 1098.89 22462.33 8783.81 8675.13 8432.46 7943.42 9934.59 8007.56 7588.89 7874.73 7124.07 8378.02 8556.38 Diacerein 80841.9 71567.65 37632.7 44017.43 70250.78 64715.29 58582.42 80626.3 81990.29 77833.92 49119.37 58541.23 42723.68 62689.99 76001.13 67387.63 56718.28 70609.36 72297.28 74977.2 71647.21 40725.45 38024.41 55980.41 86711.94 75772.95 70028.2 80776.32 76119.56 83962.34 79285.58 66587.23 58086.37 54424.11 50700.93 79431.93 80803 66919.05 66927.04 78007.57 90744.85 83139.14 54689.45 56470.29 73350.76 60594.86 78745.13 75682.28 77503.26 73390.4 72864.59 60125.22 49177.3 61513.77 72724.17 60462.69 32098.14 31450.88 75174.75 49360.4 45526.31 44342.59 66354.22 58754.73 73671.73 82353.21 78229.49 80037.66 85659.38 83599.98 85164 79750.29 82937.38 58024.75 70177.4 1526.97 796.89 713.14 615.06 569.79 2472.53 8524.76 910.69 1581.12 1357.79 541.99 709.02 2164.55 5160.05 4612.41 2285.25 2769.45 6971.61 74982.04 74496.9 74603.63 74622.27 73900.4 72795.48 73987.8 73994.17 74618.15 NT-2 toxin 1859.32 1428.75 1106.67 1284.17 823.09 2124.44 1980.2 2595.28 1405.21 641.18 975.83 1958.08 2686.73 2344.52 3129.81 3523.7 1512.91 1320.45 5738.92 1901.91 2480.67 587.16 1218.24 749.73 2983.2 2277.36 3915.37 1612.82 1426.45 2769.49 2402.24 3848.14 2046.36 4317.54 1138.96 2502.01 3276.97 3040.73 1912.01 1763.39 1656.46 3840.05 1899.01 1678.62 3794.25 1901.12 3131.47 2587.22 1767.8 1834.96 1035.98 666.4 2451.09 2075 1040.39 670.74 1122.46 860.59 808.77 481.77 835.51 1418.84 775.28 1889.52 1765.66 1049.92 1548.76 1690.58 2773.4 608.44 1530.26 2575.25 2069.06 2980.76 1361.2 3076.27 3198.67 3085.89 2867.32 3136.07 3203.05 3682.72 3151.97 3079.51 Zeranol 78.06 419.7 1201.87 26639.83 22142.65 29444.22 51963.44 240.19 79.34 76.19 107.84 509.99 257.44 649.56 114.01 1268.56 577.78 678.07 173.42 132.18 285.53 1501.91 70.89 53.36 600.02 672.36 561.73 261.99 122.59 764.21 469.59 927.66 69.97 3627.47 181.9 91.21 315.43 1417.75 789.77 573.75 16551.81 2229.16 79.97 197.34 628.87 19242.38 536.07 185.32 895.54 852.76 3218.87 537.62 532.12 2653.78 4596.26 257.81 219.42 115.6 142.46 2849.23 726.83 2323.83 549.89 413.58 178.87 3593.18 186.79 137.41 729.29 55.88 233.37 606.98 560.93 829.49 2696.64 5550.26 5562.25 5509.13 5584.11 5544.36 5503.75 5551.56 5447.32 5509.69 Erythrodiol 3377.99 630.39 3539.11 4235.62 4178.6 10629.57 1113.75 2496.88 2273.4 5384.56 1834.57 601.77 11637.32 3182.2 464.42 1506.18 4013.94 587.09 2254.41 3746.44 6292.02 6706.58 4152.81 1669.13 465.64 3509.75 1084.85 3090.3 3629.53 520.72 4382.67 6929.87 2056.8 5614 2110.5 1748.01 2336.19 3359.84 1661.35 1209.17 5366.29 9693.51 1396.93 2328.47 5816.03 7749.88 1314.44 2744.74 1633.61 5226.45 3663.19 4664.48 4201.84 5976.9 3016.09 2707.15 1557.67 2799.71 1094.32 973.78 1516.52 1681.25 2856.35 3231.51 827.96 2823.58 3105.68 1373.92 2190.93 1525.43 1625.72 2766.03 3098.98 4174.22 6150.35 3055.79 3157.69 3439.16 3131.7 3218.6 3036.63 2632.74 3039.09 3030.34 Caulophylline 659.59 438.72 397.64 305.37 648.62 7603.62 807.28 442.03 523.79 548.07 452.21 357.65 845.86 474.31 225.25 578.37 370.31 434.27 228.71 253.08 238.04 6835.25 504.45 372.11 491.33 347.12 409.84 598.46 809.24 399.28 287.05 489.43 261.58 364.98 424.62 446.56 365.9 860.96 553.12 232.45 587.29 257.3 475.52 352.26 730.58 270.07 554.39 348.85 732.94 385.5 514.34 484.58 407.8 916.76 334.49 339.51 683.87 514.32 361.3 6054.21 469.74 2765.63 540.04 545.88 532.38 365.3 335.73 408.55 694.72 285.52 441.41 509.44 539.44 470.98 619.99 1165.98 1048.04 1168.54 1278.21 1121.03 1249.87 1164.17 1168.61 1118.19 Lys-Cys 1260.85 3058.86 1878.81 990.12 2505.54 2829.3 2172.27 5799.82 5041.9 3944.1 2878.68 7542.24 3432.49 3972.53 9110.4 3655.14 2097.64 3074.6 6742.15 2618.16 4745.06 2808.65 2675.5 3100.07 1731.81 4961.35 473.02 853.18 3221.56 382.83 9129.74 8793.82 2815.94 2515.26 4850.04 5251.1 2308.92 2551.79 2265.19 2650.47 7134.01 6960 1806.51 2309.83 7271.23 2384.49 5900.21 4403.38 3283.46 7319.15 2250.56 5234.44 2788.45 578.67 759.26 2807.21 1976.16 1143.05 1654.13 2173.24 2547.4 2456.78 549.07 986.67 3229.08 5336.8 5967.53 2809.24 3828.87 2422.62 1062.16 4812 2306.95 2949.4 1871.96 5163.56 4664.36 5213.66 4768.59 2212.16 5172.5 4691.94 6313.02 5258.6 Z-L-Phe chloromethyl ketone 34044.23 31881.67 42999.19 30214.5 37406.45 16870.66 18117.83 37680.79 32054.04 28596.92 4366.17 15251.82 20161.32 25038.21 19602.01 20996.62 20431.33 24852.72 30568.63 21191.22 24035.05 10540.78 14389.16 33759.11 41852.12 39867.55 37184.72 35782.58 39303.46 22229.37 25470.54 30524.61 15697.05 37080.37 28501.4 42944.81 30245.16 8997.56 28007.69 23055.97 18677.81 23526.09 29947.92 25609.99 31357.26 16182.15 34654.53 29802.65 14600.68 18872.41 21113.74 21773.59 24308.06 14121.01 18168.85 27917.89 20945.4 20499.54 23750.49 11309.56 22476.9 23918.87 22284.75 25253.89 28780.49 30040.6 20408.76 39064.72 30119.89 35889.17 26068 24414.11 11436.29 15646.32 22790.42 28377.4 27181.71 27142.56 27086.9 27082.99 27621.42 27359.26 26892.95 27079.49 Triphenylpropargylphosphonium bromide 13103.03 13035.38 1503.42 2715.98 32352.47 2434.03 19642.35 30753.35 35853.89 16623.14 17216.75 27175.97 24162.21 24612.47 29012.08 22296.07 3630.08 43176.58 27084.85 4376.48 28920.52 3732.08 6514.58 20113.12 27309.62 28572.33 20156.03 23960.16 48418.91 7310.45 45365.44 35763.24 18821.3 13458.75 20409.16 48082.34 28597.81 1518.06 16334.73 14079.84 51982.52 42498.66 16648.8 14655.58 40150.37 16325.98 46237.86 24902.13 22320.49 31919.87 27009.72 4317.7 16493.22 21250.2 19107.75 11113.04 5359.32 3835.38 24717.9 444.46 11529.13 1776.35 20518.21 9332.39 11292.78 28042.72 37239.12 19494.44 20490.01 29799.05 19599.89 1486.92 18052.33 3399.25 19358.62 25767.06 25289.89 24855.35 24688.5 24811.23 25385.5 25845.23 25357.72 24829.72 Benzamidine 19730.8 17906.86 37321.16 39483.79 29591.26 12963.12 57313.21 32764.98 29893.29 20473.67 31168.39 36940.41 35702.38 28649.06 27324.55 30584.62 20139.35 24871.52 33541.94 24188.71 20394.65 9724.76 25392.48 32170.79 30558.5 17556.43 26216.13 29324.23 19458.77 9205.19 17347.49 23084.26 12774.81 35127.08 34125.84 23281.74 25716.09 18912.37 31721.47 33610.45 5287.72 15030.71 36406.12 22347.03 20168.77 53273.84 22092.08 22907.04 32069.9 22932.19 43016.16 24581.98 34789.99 62021.23 29337.5 18995.07 32040.39 32643.5 14934.43 27801.4 27370.1 21089.53 34065.85 50650.75 23998.75 29603.28 17633.56 20221.4 22584.91 27303.36 24100.5 19376.52 37071.97 42929.1 44470.02 27757.28 27679.25 27565.01 27564.73 27598.27 27563.07 27511.13 27584.69 27622.4 2-Benzylideneheptanal 8771.75 12523 9583.07 8528.75 5008.87 5664.37 8963.66 16807.77 9518.21 10327.96 14740.64 8068.98 6912.86 10646.75 9729.01 7032.65 9631.07 5309.92 9114.87 8930.48 12895.56 9440.42 8926.75 10441.02 10549.8 9718.93 9875.15 10880.59 7617.14 9556.59 9260.95 7456.69 8319.34 11019.71 9885.01 9559.41 10132.84 10323.53 11195.79 10879.59 6803.48 7882.66 10726.68 10718.31 10041.76 9316.82 9222.26 8467.06 7970.78 7769.15 9753.21 10976.87 9764.23 9215.78 11086.99 14796.13 9541.65 11852.31 10744.62 9727.06 10106.07 10723.39 10204.08 11006.98 14024.95 9906.98 8976.35 9996.94 8682.64 8753.17 10421.07 10139.14 8706.16 8736.86 9685.75 8835.11 8749.24 8362.04 8741.53 8976.14 8837.19 8739.47 8757.88 8753.5 4-Phenyl-1,2,3-thiadiazole 5995.08 7198.41 4503.94 5241.48 8489.37 5911.38 7365.87 8784.28 7186.38 6798.57 5375.57 5660.91 5254.75 6048.11 6888.34 8128.2 5690.61 5494.05 8443.35 5926.25 6516.71 1943.95 4608.97 6171.84 7890.06 6630.81 10738.32 7192.11 8711.49 4342.19 6681.1 9013.83 4250.07 7137.41 7387.21 6203.21 6100.98 4641.86 6553.42 5826.05 6710.74 9744.62 6709.87 5486.89 6823.22 5321.98 6796.39 8953.44 8056.66 9261.89 5986.77 6556.9 6938.47 8819.88 4923.39 5169.97 3985.48 4961.87 6698.66 4879.01 4721.55 5532.31 5642.94 5909.77 4941.95 6918.61 6372.63 7379.42 5684.63 6421.61 6040.84 7285.54 5559.88 6794.2 6594.17 7235.52 6838.42 7013.84 7018.16 7003.46 6786.24 6598.52 6900.9 6991.69 2,5-Dimethoxystilbene 10837.87 7845.1 8620.94 9378.43 10195.2 11351.96 15963.45 10241.15 13059.55 11340.02 6329.49 7269.53 14668.7 9066.39 11609.46 14525.78 6491.05 3522.14 14918.98 8947.2 9108.57 4773.51 12635.21 9227.83 7686.21 11243.86 4647.18 2134.29 2599.93 3718.83 2623.77 20972.49 7454.56 11289.3 7753.79 3321.16 10515.14 5710.59 5833.1 4074.38 5751.68 20043.51 11350.69 7488.64 1961.21 7856.67 4058.12 10437.34 7083.26 14002.05 13391.28 12155.45 7734.61 11370.81 8178.29 7208.78 7214.01 8995.11 9940.52 735.29 4487.08 8211.18 6820.7 7567.66 4418.43 11023.99 17136.68 7691.69 5828.74 9216.19 9092.07 9629.39 7145.23 14961.01 11633.32 9186.54 9141.89 9317.53 8825.07 8981.89 8988.91 9087.15 9178.06 9184.46 (1-Heptan-2-yl-2-methylindol-3-yl)-naphthalen-1-ylmethanone 7976.05 17342.08 5989.51 55423 399510.22 195796.69 131310.43 4224.09 233.67 8945.03 6044.93 11838.4 26438.11 206.59 312.87 19486.47 5332 4919.99 15005.1 447.28 15088.98 4448.27 13078.39 5775.18 6610.08 10349.63 11080.06 8712.34 14663.09 2742.92 12169.11 89763.31 4144.51 650.44 583.61 2495.44 392.68 4842.22 522.34 14086.55 81678.48 16361.43 196.51 10149.4 767.17 23135.95 18308.49 14312.04 241.78 779.38 4467.57 11129.36 603.81 1678.67 9038.07 236.66 10244.67 7283.64 2428.87 13672.53 9421.59 1572.81 9510.45 1017.73 8408.1 2544.83 13170.03 762.01 1368.77 10964.23 228.44 899.1 10048.85 13457.35 10395.87 24677.41 24549.99 24701.74 24534.98 24632.11 24651.89 24611.45 24420.8 24532.54 Glyc-Pro 12286.49 8869.45 1481.56 5039.07 6336.57 7981.87 8324.04 10385.82 9950.52 7299.61 6992.63 9641.15 9518.45 10375.42 8395.59 8158.01 4801.77 8686.58 3216.58 6213.54 7542 1847.63 5392.34 6702.9 8916.71 9279.83 6738.53 9099.43 13602.81 1800.98 11626.46 16174.05 4820.87 6721.47 6210.88 13463.93 8279.24 6601.12 6121.21 6094.79 10190.29 19235.53 7054.93 6776.94 12849.69 10956.02 11865.42 7845.25 9494.66 15871.85 12169.65 9651.13 6237.49 9191.35 8277.98 8053.2 1984.22 2221.95 6550.57 2622.99 4637.36 4520.07 7417.12 4459.55 3537.75 10873.28 6214.26 6715.69 7588.55 8001.32 7684.6 7957.3 6369.53 5538.33 6628.61 8156.14 8212.07 8169.93 8256.23 8236.64 8178.89 8234.63 8183.7 8168.44 7-Hydroxycoumarinyl Arachidonate 14154.74 7800.19 55531.23 53433.61 2058.16 33758.15 1506.12 14108.27 66550.92 5379.75 46590.99 14429.33 3567.58 22078.41 9557.15 2397.06 3817.99 3909.07 1896.21 7269.46 60497.48 17206.13 23484.51 2533.89 30754.08 3640.16 5560.48 3117.69 2489.96 67379.66 9307.53 16413.22 26188.2 34748.61 44816.03 7054.52 17154.35 2843.65 14248.01 48880.86 30066.95 12315.01 7735.28 10977.17 17015.9 15156.83 14636.98 18425.24 12571.88 10464.38 19496.54 27835.07 19979.6 6709.38 4256.65 14935.04 49276.58 30524.93 31920.47 28011.46 26347.32 9185.07 36387.69 10070.22 29564.12 15958.13 27714.77 10290.47 34515.4 20981.25 44544.04 7550.4 31402.81 39370.2 14696.19 6252.31 10093.06 5814.87 5528.67 5626.87 7020.46 4747.48 5918.28 5727.92 6140.38 6345.95 4392.06 6285.72 5796.61 6114.4 6341.08 6314.0 5951.7 7094.48 5932.15 7508.26 5203.3 9122.71 5633.62 7124.51 9033.83 11695.84 11090.2 8420.58 11060.11 11447.92 10567.72 11435.14 13189.2 Azasetron 3001.91 1151.64 4719.91 7197.02 3484.33 8065.93 15638.1 10930.75 8389.21 7588.37 12505.07 1954.45 3219.96 9099.12 2007.47 15763.2 1757.46 2850.17 7254.78 5581.11 5796.8 3471.3 8016.49 1021.08 10440.35 2139.14 11032.25 11469.08 4391.09 13858.86 2806.54 18615.66 4416.33 13775.32 13356.62 8569.01 7251.46 5838.38 12022.43 11151.23 10123.8 6463.7 12523.4 10303.68 6953.05 12548.71 7069.45 10999.51 7742.56 29753.45 6659.11 8365.59 8028.05 14988.36 4417.68 8536.81 4694.79 6099.23 6781.33 5046.16 7800.06 10559.25 3529.36 12958.52 9409.04 6734.38 10883.41 9158.61 17442.09 6582.17 7338.07 10303.13 10383.48 11004.08 11444.61 11929.91 11918.94 11492.21 11487.04 11815.04 11473.13 11920.48 11535.61 11604.83 N-acetylsphingosine 5833.38 6395.09 7709.89 4625.8 1445.34 1322 1684.22 3059.57 6175.42 12324.21 5855.27 6320.5 1651.16 11522.74 7389.21 6306.78 13508.07 5301.13 4545.53 2496.76 5984.5 9550.69 8601.54 17156.47 5095.84 5613.06 8141.25 12409.14 3482.16 3908.78 2007.54 1327.34 8350.34 4492.8 19904.09 7540.61 6256.56 6550.41 9937.68 14954.73 2355.59 1463.58 12360.29 12840.06 3428.72 3620.7 6500.66 8482.09 5208.45 2316.18 5217.85 3504.92 8770.4 6154.3 8377.41 7365.13 9743.71 13878.26 9260.43 9738.3 10287.26 12760.65 7729.9 5754.06 10784.2 7259.41 3557.36 10943.08 13620.57 6292.38 6602.13 8562.65 5848.56 2027.98 5302.89 5611.78 5549.85 5795.48 6112.39 5593.35 5428.76 5633.25 5650.64 5591.87 Buflomedil 1526.43 1238.26 3172.22 8637.91 1847.84 4383.25 3560.5 2432.62 1541.57 3362.65 5425.64 3293.09 6821.14 3379.58 2344.95 3854.25 5116.1 1931.02 2098.75 1533.6 2402.93 1505.35 5059.16 2178.82 1320.4 1295.33 2328.93 5361.65 2002.61 912.91 2280.5 3343.83 1222.53 9287.71 15134.95 2390.11 3221.03 1826.19 5646.98 8441.46 3012.96 2031.69 5482.33 11742.58 4122.63 7054.91 3232.12 7516.61 3575.84 8118.07 3706.5 4726.15 10013.3 6625.5 4442.78 1552.74 9672.8 4244.94 1501.74 5030.16 3449.13 1099.57 7020.11 7274.77 7886.48 1570.71 8885.21 6287.75 3822.71 1576.09 1116.2 8723.81 7448.09 4336.07 8163.83 3731.75 4530.33 4335.73 4199.08 4198.81 3503.73 4133.7 3291 3939.99 Dimethyl adipate 7760.68 8097.94 5087.19 7176.36 14366.7 6078.8 7841.86 8225.22 3782.83 7045.8 6006.64 8269.68 12084.03 10456.39 7264.61 8604.16 10916.81 9201.54 12387.9 7583.88 7427.54 1777.58 5418.33 6516.76 7492.16 6791.39 6874.79 6447.04 10558 4398.74 9170.95 18651.82 4000.56 6362.17 6596.82 8950.18 6436.37 8185.33 6014.33 11716.85 10464.03 14648.51 6767.38 6564.53 10049.19 8911.8 7906.74 8902.63 8224.78 13400.34 11095.54 10675.75 14572.03 10478.44 8015.41 10619.18 6993.69 4197.8 6659.83 3181.58 7362.52 5589.41 7326.55 6304.28 5782.14 10776.65 12272.34 7517.84 7302.31 8636.61 4964.63 8019.81 1955.28 9007.49 7230.72 9168.91 9083.24 9494.63 9094.97 9157.02 9026.73 8742.09 9071.05 9156.75 N-Benzyloxycarbonyl-L-leucine 3962 1654.73 1869.37 4384.27 3323.45 3475.6 2840.03 3682.78 3668.31 2333.08 648.56 10339.98 9072.14 3240.62 2612.84 3789.04 2919.69 3328.17 3204.98 7285.96 2238.56 1877.78 2590.41 4738.98 4151.33 3815.06 1128.37 4063.39 3434.92 7539.61 6932.52 5433.34 776.15 3088.23 1818.73 3590.29 3786.85 2694.67 678.36 684.98 6993.62 11918.97 2785.02 1443.54 5077.08 1105.24 4228.01 6226.2 2490.76 7038.7 2423.53 525.67 1877.93 1273.9 552.35 2018.19 1945.35 2351.42 4099.4 2368.08 2305.03 857.73 1970.03 2997.17 1314.58 653.2 1719.78 2693.32 5112.97 1316.48 2546.23 2676.99 2272.38 3872.03 4030.17 3028.04 4478.54 3165.14 3697.6 2946.2 4780.11 3363.11 3218.0 4297.43 2495.81 2997.35 3133.89 3354.54 2760.88 2878.6 2388.31 2616.61 3837.12 3027.79 3519.57 2598.88 2879.12 3286.09 3576.75 2799.31 2587.97 2798.56 1652.2 3127.17 2921.97 2235.01 2612.32 2843.7 2796.53 Ethiofencarb 3513.07 4141.76 3755.23 3983.97 2284.92 3778.57 4481.06 7774.49 4187.65 4408.11 7897.56 4691.71 4168.13 4675.76 4677.3 4240.06 4351.29 5029.54 4529.91 4534.72 6333.31 5912.43 5330.06 4794.21 4000.13 5052.86 4558.59 4175.45 4278.22 4263.25 4438.18 4700.26 4468.22 5155.44 4421.67 4248.69 4285.44 4643.66 4271.53 4270.73 3748.65 3688.13 4224.37 4182.05 3956.67 4289.26 4112.32 3952.37 2740.62 4158.12 4191.7 4066.92 4358.72 4177.02 4992.78 3941.47 4323.26 4470.18 4127.1 3747.48 4119.77 4372.37 3983.05 4622.07 4669.96 4059.11 4535.32 4337.68 4427.83 3938.01 4285.63 4148.15 3269.55 3473.8 4008.15 3747.14 3783.4 3746.36 3785.65 3690.28 3810.69 3846.95 3785.59 3747.06 1-(2-Trifluoromethylphenyl)imidazole 2979.38 5425.83 1854.49 2774.54 1796.92 828.48 1758.3 3758.67 5852.2 3145.97 2788.85 2995.78 3620.18 2101.5 2086.59 3323.65 8967.97 5225.29 2699.03 4303.5 3849.3 629.63 4750.2 8299.58 909.82 1705.32 3700.83 3641.52 2868.3 3036.63 4672.13 2448.99 3138.95 4538.47 2707.41 1758.69 3441.27 3508.24 5129.57 722.09 906.11 1188.42 5539.99 9071.92 6148.42 655.55 688.54 2984.94 2846.5 1905.12 2561.87 587.37 3430.31 2637.04 3860.28 4533.28 10833.97 4960.56 3243.91 3218.39 8745.02 2718.11 13461.17 4174.86 3681.72 3052.98 919.74 8159.91 5821.13 5169.24 3077.83 13279.28 3432.92 2675.1 2707.34 2450.46 2621.68 1992.1 2723.04 2654.04 2268.65 2404.13 2454.59 2451.55 4,5-Diaminofluorescein diacetate 171.89 158.25 137.25 170.05 172.06 327.59 139.59 137.63 225.22 239.28 204.02 250.95 769.26 225.23 81.43 169.75 116.41 174.47 185.63 255.71 153.56 79.82 115.88 226.7 184.22 165.82 97.91 96.29 103.97 88.67 185.71 153.2 125.67 220.7 252.73 182.08 309.77 206.73 82.15 128.78 323.19 273.81 198.98 114.1 245.63 287.92 368.37 172.8 188.89 317.37 96.89 125.63 154.81 182.08 182.61 462.8 309.45 141.95 106.49 93.02 102.45 152.05 80.66 162.64 152.75 528.97 292.05 199.62 135.8 175.5 97.53 200.49 151.67 170.45 205.49 1068.5 965.61 1010.29 1033.62 1031.49 1250.3 1551.01 1418.59 1549.27 5-(Tetradecyloxy)-2-furoic acid 26938.02 23698.33 17515.6 25107.79 453508.79 159543.41 77145.27 22439.9 13824.42 11580.28 7409.68 14527.48 945.87 18353.7 22094.74 45995.18 1934.05 18276.48 21057.59 14968.7 15721.39 10235.14 1619.81 21304.57 33093.91 16440 21409.26 13634.5 16428.27 888.63 2134.62 2806.79 1064.48 6616.81 71225.64 38005.65 16563.88 4772.9 3541.95 8526.73 89809.19 38048.48 16201.76 15131.68 13971.57 47385.22 24856.1 17580.99 1702.55 25760.72 6743.28 10107.55 5567.43 7821.97 67289.51 29167.2 13817.97 4864.33 13602.75 17141.04 17111.85 7537.98 8011.91 3876.8 3784.65 37608.37 16879.76 15899.3 23262.57 23654.04 9834.88 16266.86 4652.66 5301.99 18011.26 30296.03 31491.94 23952.33 30354.62 31722.97 30646.89 31481.18 31590.66 31002.14 Lificiguat 13595.51 4333.12 2396.59 1216.84 15961.78 2305.73 4401.98 13451.69 21415.35 10368.7 5059.08 7490.24 5245.85 3615.85 18959.35 3680.55 2945.81 9739.57 3968.19 14742.75 20365.75 617.84 322.9 3459.69 32722.28 15903.39 2273.36 3012.58 13504.07 6696.66 14049.68 3084.92 6169.28 3732.43 3082.19 11230.95 16774.57 819.47 3792.97 1839.21 9571.65 46840.43 3248.22 3022.55 8673.56 6182.61 12700.82 4497.7 5181.32 5632.59 15238.39 16052.47 3966.7 3579.81 21657.91 8817.28 365.76 544.53 16296.3 6081.59 3437.08 1049.76 11183.16 3413 495.42 17646.92 41282.05 2228.88 1969.11 15475.82 16483.38 1984.82 3638.16 551.26 2674.05 10103.09 10211.9 9873.37 9824.16 10181.98 9047.21 10119.45 9945.72 9825.66 Arprinocid 5800.95 5680.33 2237.57 4114.95 5696.91 3590.46 5606.58 5549.16 2350.14 6925.74 9344.44 10478.22 5922.95 7181.19 7833.03 5931.56 6023.64 5773.24 8083.92 6343.59 1390.76 4306.42 5878.28 9614.42 7228.18 1026.25 8099.38 6520.45 7937.29 545.1 2926.52 6763.76 5804.85 5786.21 6187.72 7133.54 6646.86 3834.63 9710.53 7118.37 1586 5334.79 7799.29 9586.3 6876.49 1658.61 10756.12 7053.6 7008.12 7626.3 5901.47 11526.15 5570.25 5442.71 5251.79 5956.81 4359.54 6990.17 2896.13 5211.42 5663.49 7638.69 7437.91 4474.21 4095.81 9342.09 7541 7467.01 6129.29 5497.16 5104.63 8634.12 3863.98 5100.29 5443.92 5731.15 5807.15 5784.29 5842.67 5725.69 5844.94 5195.34 5891.01 5812.52 Epiafzelechin trimethyl ether 12231.64 10807.04 3867.97 1995.14 10952.17 15547.73 10774.47 17223.02 15990.44 12613.24 7516.02 3954.79 12075.96 11408.82 14732.46 14467.15 6033.93 13153.78 8399.21 3599.54 16320.14 3636.35 4177.95 7139.75 14675.97 9533.36 12587.28 14514.99 17659.17 19341.77 18719.78 8872.03 16238.36 12367.87 6978.61 19195.1 19439.39 4578.69 7126.61 9506.89 22939.19 13973.52 5762.28 6687.66 7574.97 11817.7 17419.94 1556.61 11057.85 13886.44 12505.75 1613.25 5863.15 5940.65 14106.7 4536.89 3430.9 3050.48 8368.69 5271.98 5106.79 5802.45 7462.61 567.07 3081.97 13727.9 9200.66 5456.74 10865.11 18495.53 18184.76 4067.23 5538.53 4941.84 1932.36 12567.24 12525.21 11864.16 12533.35 12532.23 12281.44 12763.5 11045.31 11998.48 2-Aminoethyl diphenylborinate 1798.47 1321.03 2288.97 2964.14 1881.54 2287.72 3264.33 1109.48 779.3 4178.94 4454.09 1135.65 566.4 2012.45 767.76 2140.96 944.54 745.97 1181.28 935.93 708.94 740.15 1865.8 1093.57 5539.36 1397.96 782.82 1194.14 591.79 1460.27 764.21 1920.77 3561.76 3067.77 2464.9 1265.66 691.82 661.07 3778.21 1324.85 1033.49 922.42 2064.31 1725.4 1257.82 1875.33 814.34 1514.45 1039.33 3078.34 1031.42 580.27 2157.21 2503.12 840.11 1160.26 3407.04 1378.38 1075.31 641.41 2689.76 1738.95 1962.25 4063.27 1145.37 1295.2 1018.39 2550.44 1881.89 1254.94 936.51 718.57 3560.46 1486.01 2125.19 1644.12 1734.66 983.24 1711.95 1709.46 1756.23 1649.22 1351.12 1713.26 (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)icosa-5,8,11,14-tetraenamide 1905.01 1156.9 1822.92 2224.78 2438.94 6608.39 1895.69 866.9 2616.55 2538.36 2149.95 4319.73 9406.12 5803.43 818.13 2029.47 337.87 775.46 690.68 2409.73 2083.88 3336.38 3727.68 8958.03 555.86 2215.36 1631.46 2338.16 1814.87 1864.85 2211.65 5180.59 452.16 6568.45 3254.94 1709.56 697.91 3508.13 3961.62 1756.99 2044.95 5225.59 2240.68 2425.1 3010.75 2734.78 1669.02 2080.57 3982.21 10591.48 5573.46 2970.87 2890.08 9483.58 2220.91 1733.71 1949.11 1185.52 945.79 794.18 2174.54 2927.84 2130.7 1756.08 979.68 3398.29 3361.33 2432.58 2099.61 624.8 1244.07 2098.91 1893.14 2668.41 4797.41 3576.15 3672.78 3627.88 3680.85 3749.31 3677.69 3622.61 3610.93 3610.78 Tulobuterol 1346.48 2053.08 3979.73 899.36 3525.53 2785.64 552.55 2403.73 6934.6 1832.05 951.17 847.29 889.09 336.96 4242.51 942.64 1051.3 2191.83 3794.1 1172.45 920.38 414.74 649.34 317.39 2339.62 5648.42 648.25 293.93 2729.06 347.13 450.45 671.84 5253.19 339.4 350.14 548.03 4603.64 1572.38 4230.01 1170.29 1379.01 566.91 4551.35 759.29 1127.01 812.42 1528.14 554.09 1561.11 528.73 1951.12 1317.08 1291.81 1286.31 440.66 3060.81 878.11 1403.3 1737.1 1209.37 237.72 634.34 2153.29 1225.39 2203.03 2663.89 2199.13 2566.65 748.26 2424.97 1855.96 2230.56 1619.71 2472 812.44 3150.22 2892.25 3316.47 2275.88 3842.61 3130.49 1261.34 2477.38 2725.48 Isoetharine 3660.85 3789.51 8365.68 17225.05 938.91 1157.8 4175.38 6322.68 6767.46 1441.75 6416.5 5292.5 6645.6 3190.18 2458.85 2278.36 1991.57 804.51 1864.96 3000.6 4157.53 2649.43 5641.46 3109.02 3697.37 1493.29 1111.43 7582.72 2653.63 2058.51 1021.39 827.93 1600.16 7350.72 9907.08 1741.7 2879.96 4121.08 7360.53 9176.64 2371.03 3627.96 12366.31 5041.31 2600.86 15594.91 7499.31 1713.35 2991.95 3672.73 13466.48 6710.99 13386.02 28246.45 4582.95 1059.04 8982.99 9264.22 1736.35 6634 3610.77 4340.87 10186.96 16962.55 4381.04 7252.41 3535.2 3601.5 6808.11 7413.26 2259.04 1334.49 6836.06 12747.55 10244.56 3921.26 3467.04 3878.84 3680.23 3692.76 1986.49 3926.39 4069.29 3995.97 Quipazine 15445.35 14668.75 27897.68 25290.98 19260.17 28155.94 25469.63 21747.74 18704.83 16814.54 19851.1 17629.47 16673.22 15219.9 17780.06 28818.38 17920.25 13463.23 44357.21 18419.18 15742.88 13594.94 14386.74 25653.05 16228.65 23627.92 18993.83 25604.56 27659.46 9633.86 15079.48 37354.73 10962.35 27953.31 31798.87 14383.71 16595.75 23468.69 24686.43 23343.64 23337.29 23184.5 32468.78 14965.3 19058.91 23787.96 19270.53 37879.49 20137.79 42548.29 12337.13 12248.37 33559.43 41472.08 10808.04 15707.91 18823.81 14141.04 15566.24 16307.72 13004.61 8614.71 12635.86 35913.93 25239.8 17280.41 16444.82 19309.9 18602.2 15402.05 15777.15 28598.88 32457.91 30075.24 22447.59 21490.68 21490.44 21432.67 21329.85 21249.87 21482.48 21328.55 21491.08 21489.57 Latanoprost 51778.56 16227.43 5958.53 5828.35 42169.27 17482.98 5309.29 49297.85 30637.8 5357.98 5709.29 23619.61 11328.32 9753.63 26135.61 43139.15 10199.39 26837.61 11869.98 25412.02 26879.98 1542.98 11160.01 6450.79 51075.67 51630.66 19916.73 29033.75 75364.64 9318.39 40235.87 47288.2 5977.52 1620.42 1276.94 63008.92 41953.85 16961.72 9746.28 4976.3 28310.61 67188.57 12072.77 7064.41 55701.07 13068.67 27620.36 12506.07 10628.58 17126.17 36415.05 12137.21 5348.99 8198.26 38138.88 7384.22 2462.79 775.02 42393.24 5147.09 1807.04 5749.64 8477.81 5989.97 4572.6 44026.75 16238.65 13461.13 14394.98 47815.16 41297.81 5684.76 34268.26 7401.88 15733.26 23943.6 23948.69 24285.94 23951.42 23943.13 23057.76 24581.85 23940.82 24056.58 N-[2-(Methylamino)ethyl]-5-isoquinolinesulfonamide dihydrochloride 312419.06 219773.7 167708.72 156499.61 186305.6 182904.87 171395.46 304532.82 355219.73 336287.8 232971.63 96369.32 81687 203175.36 209658.76 216543.55 205875.44 330377.59 165374.85 295414.94 202371.33 134701.75 140944.87 165405.83 306496.61 373789.22 236887.09 204233.3 213778.05 145484.06 164303.22 189001.44 399010.53 181208.76 284123.98 192122.49 350937.03 241580.24 286393 276268.64 189234.87 186049.65 249547.37 189124.92 339598.96 136229.75 311778.83 240191.49 283674.8 133009.59 223399.66 210976.83 207635.16 157961.73 176979.11 201756.06 273643.77 242222.74 335292.56 193926.33 214149.91 234685.16 227947.04 185160.82 198007.08 201524.86 313053.28 321120.5 200966.52 343319.78 255194.25 223657.78 249419.94 229019.51 158682.1 227589.43 222776.4 248483.02 220086.45 227890.32 218936.36 225578.16 225718.69 220216.4 Tyrosyltyrosine 16547.85 161428.04 14922.91 23781.72 33290.56 37892.75 27017.19 1916.61 23950.37 50707.66 4318.25 14926.85 51228.46 14526.06 12667.91 10171.27 30411.82 3214.94 18081.81 30607.73 22114.37 1668.54 41276.77 21078.61 24753.29 3533.95 17388.8 3764.48 21844.1 4336.6 24737.27 8827.24 19485.58 52367.48 36235.62 9532.17 5869.16 11014.41 9097.84 18854.48 31631.14 33890.01 24335.08 11121.52 884.2 12610.49 25136.57 29629.16 12333.07 7085.97 8211.08 183607.08 6615.53 25954.65 8126.67 57700.67 13165.04 17692.98 8439.42 20802.23 29114.74 109318.65 11839.54 21204.7 11605.91 19416.28 6173.01 12996.39 7046.31 6703.63 8221.34 97273.49 23455.52 50669.84 9539.08 24252.92 24157.43 23969.28 24517.63 24218.25 23969.15 24017.41 22938.4 23957.34 Quinalphos 1110.73 577.28 1450.32 9108.85 14762.8 17215.07 27475.52 199.5 761.46 502.3 893.5 1161.75 9920.11 283.58 245.94 1933.68 958.16 1834.29 157.56 1446.72 375.91 2975.39 1080.71 838.75 331.37 616.13 1283.09 1862.03 832.98 4132.87 655.33 2387.31 809.35 2707.89 1341.9 1074.82 747.33 172.72 984.45 653.46 6313.89 2921.24 1000.33 178.87 203.9 29728.55 627.39 1909.4 785.13 2027.29 2122.35 539.3 939.87 11438.57 7738.44 740.12 1078.31 182.46 280.94 701.34 906.19 551.73 639.08 462.13 1013.23 2063.7 1042.53 1037.29 979.23 518.24 800.52 722.96 1055.91 1556.29 2414.72 3140.78 3279.51 3320.69 3238.68 3228.77 3243.09 3292.77 3303.56 3236.86 Oleandrin 987.11 903.59 713.48 884.78 544.96 1372.11 1360.01 3820.74 1418.16 1095.26 1442.59 1371.23 637.61 881.83 551.89 868.35 6465.1 1356.89 831.31 1498.33 1129.47 1092.94 952.5 1102.42 1452.63 1107.01 997.81 1155.19 1549.55 1114.76 812.02 969.93 643.43 1187 777.48 1733.9 1821.38 982.22 1012.36 1811.69 835.67 1143.65 695.53 751.52 1464.37 764.43 1489.56 2055.19 843.08 1199.78 706.25 1159.65 890.1 1412.71 4769.32 1307.52 1610.42 743.79 660.02 415.48 452.08 576.07 1416.4 1257.12 1289.01 1010.37 1539.9 1534.21 1596.06 1649.52 3627.15 1179.8 1584.55 1549.88 2646.93 1291.45 1901.37 1823.1 2016.37 1945.78 1936.92 1661.56 1336.59 2223.78 Ergocalciferol 1233.61 4729.97 3150.94 7626.06 5173.04 15777.47 1705.92 4492.48 2694.85 3228.75 2532.08 2221.82 1290.79 2351.9 8942.3 18173.44 6616.89 5233.48 14795.3 4589.53 3339.07 5670 1583.54 394.24 10789.71 4300 1111.01 4477.43 6004.73 1509.71 5259.64 1491.11 1772.21 11144.24 4905.33 372.07 5532.75 6492.49 4288.75 9057.85 11734.46 15765.59 4185.55 4123.01 5548.36 5670.54 5526.51 4853.02 2409.93 14541.34 3556 9707.04 15611.87 14983.52 1217.81 7962.26 11259.28 9599.19 1234.7 12964.07 4637.26 2631.89 6718.55 1414.18 2906.3 4054.23 10347.05 4430.24 3552.28 4329.02 1499.59 2036.41 2701.38 18747.99 9664.25 9155.86 9835.61 9036.64 7380.5 5114.28 8904.81 7872.28 9398.09 8498.63 2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid 28662.98 61080.29 54575.7 24903.5 30564.33 11548.03 14503.97 31931.58 25860.03 38371.83 4094.78 27336.22 60817.98 26985.25 18222.04 12331.61 12135.36 20092.14 35498.5 12927.3 36509.01 6977.73 21523.65 35795.92 42089.58 28478.92 39465.71 37234.3 36420.49 38784.53 22165.75 22606.75 7330.1 52558.27 15731.56 64254.98 19233.51 6520.9 42670.55 72286.85 32092.31 20003.19 19989.16 21068.91 24889.18 16757.18 19353.14 30229.64 26443.88 13019.64 19030.47 20129.25 25901.54 11981.47 37433.81 25096.81 33372.77 20884.81 14929.77 10655.19 29464.34 48392.15 12014.68 9706.2 13103.68 30168.79 27833.83 59160.7 81265.26 21691.62 10658.71 16198.25 8158.15 14739.54 12033.73 21498.35 20885.98 20857.18 20891.02 20638.65 20889.7 20625.29 20629.39 20624.78 Naphazoline 227462.12 222216.92 247073.93 225928.89 239188.01 166550.99 75085.51 108480.18 211511.2 192025.82 30529.23 109525.18 119647.22 179133.65 175022.53 164266.83 159317.44 170963.96 182096.85 154396.35 80026.08 89841.84 110421.77 220159.09 240794.57 227457.68 227708.83 226390.18 235639.31 184236.66 192108.33 208649.79 107805.11 228704.29 207531.92 229495.49 207761.43 114276.12 200284.6 171044.51 154461.84 170566.51 210494.11 179851.96 197688.76 147477.21 205609.87 192509.09 132846.15 163652.13 147024.15 164537.8 179674.28 144846.11 69832.03 180455.29 176956.53 171370.57 177533.4 121327.8 159700.02 161946.61 170163.71 173778.87 189774.5 180000.49 157145.77 206272.75 191363.81 203664.76 171647.37 170783.94 113393.06 139708.58 171469.04 176436.94 176827.59 176435.22 176436.55 175195.77 176826.42 176716.87 176851.46 176679.94 Linarin 261.32 284.91 1841.27 334.83 433.46 669.01 1195.79 555.66 1374.02 7034.32 2816.98 2095.58 521.54 1374.66 2825.93 6254.49 18659.18 1037.04 509.1 3038.9 534.54 212.96 1507.77 349.42 388.28 462.55 1825.59 1674.5 1567.76 310.53 616.96 333.52 5916.87 2217.45 1963.44 777.03 962 1955.85 729.46 810.2 3265.46 1786.06 606.71 1531.44 1682.96 3519.9 6840.49 538.61 1705.35 1732.2 662.65 2791.73 1163.47 582.5 960.4 3269.58 5314.42 1108.61 7047.33 834.02 562.36 466.81 802.76 273.39 550.3 2299.16 1236.46 1587.11 1578.09 384.29 1227.58 3754.28 941.85 375.34 937.97 3331.43 3219.94 3234.2 3939.9 3232.77 3283.59 3231.36 3266.76 3445.35 Glycerophospho-N-Palmitoyl Ethanolamine 959.76 1918.31 2026.13 1752.65 3875.11 9060.1 927.8 2209.77 2621.63 726.46 1291.33 2479.42 3456.89 2776.44 3684.35 965.62 2234.94 499.19 6054.25 814.7 4224.5 5612.17 2169.32 2332 2169.84 510.58 579.19 1619.4 728.37 621.29 2626.25 1225.96 3232.01 2118.04 922.89 2256.18 844.68 5429.6 1163.05 484.6 1452.59 795.69 635.74 557.16 4551.3 3037.76 4790.02 1829.13 508.76 3466.54 997.27 3446.55 2053.42 3827.01 2682.93 2703.96 2590.26 975.83 1459.07 3487.87 2033.46 1219.88 3667.91 2913.28 1398.03 2180.26 3234.79 2852.55 1164.16 1888.19 2812.69 1391.34 1811.36 4699 4730.83 4673.01 4404.61 2321.92 4672.03 2237.83 3881.15 4817.55 5958.26 4804.15 1191.77 1051.29 1345.99 4955.35 759.27 4790.07 1168.71 4866.17 4722.11 5901.83 10358.43 2719.47 1452.17 820.42 3834.5 2452.73 2800.69 2721.37 2988.08 2934.51 2931.37 2982.25 2568.61 2680.63 3',4'-Dimethoxyacetophenone 6882.11 11456.44 7259.4 6166.51 11402.31 11536.89 7695.88 1870.18 5899.83 11456.29 577.57 7966.22 13548.39 8090.42 11257.37 8859.02 4253.91 7209.23 13934.58 3975.04 4515.62 4523.55 2744.58 9050.2 10766.67 7758.78 9952.01 4620.86 9331.09 4848.14 4413 11924.75 6013.72 5879.38 4826.55 10017.28 7889.98 3800.38 5468.75 8085.52 4368.01 6599.88 6907.04 4142.85 5966.09 5834.87 5604.04 9189.52 4106.24 9379.5 7092.5 7199.97 8420.46 7693.62 1982.79 11535.3 7464.65 6187.78 7308.57 5292.82 2166.83 9887.17 6251.62 6673.47 6257.26 8611.28 4900 8796.35 5791.4 7995.49 4960.28 8223.58 5220.66 6001.2 6935.27 6002.47 6163.42 5849.64 6031.61 4978.87 5757.14 5894.31 5825.51 5716.75 Siduron 8295.18 8817.45 16505.84 13822.25 1456.97 5511.39 9337.13 10212.32 6037.74 16637.4 14641.27 13768.43 22120.36 20838.4 7862.94 13085.39 10697.83 5862.87 16806.28 5948.15 6034.7 8053.79 20515.11 18339.99 9788.35 10078.63 17930.63 22116.58 9610.12 641.82 3804 23268.01 5729.51 24937.43 18885.04 10618.84 8197.18 8874.77 19837.58 15251.69 802.91 13841.64 20793.61 18096.23 7588.42 14286.52 6571.35 15898.17 13748.58 21068.86 8688.07 12745.7 22341.76 21810.73 7543.61 11067.17 13070.37 13811.94 5955.42 5914.56 14777.35 17552.96 7749.23 14176.72 7871.71 12202.05 3872.18 19514.32 17848.58 7336.52 5044.37 17428.48 13428.05 16489.95 19375.67 10147.46 10142.36 10285.78 10145.45 10066.16 10108.77 10034.8 10003.48 10029.29 Buprenorphine 13983.97 11086.45 1488.32 614.8 4412.92 1885.29 12586.48 19898.67 23012.42 11773.83 1554.91 3835.02 2196.76 10955.92 13094.98 51824.41 8180.95 2576 885.49 39542.66 13992.59 380.82 7456.9 13799.12 14980.49 13022.54 2054.81 17523.03 22945.66 10927.09 24193.67 24303.53 8135.65 9871.16 6689.79 16479.82 6797.39 10723.08 6848.25 4754.08 23160.99 23326.62 18584 7971.63 21570.56 14805.97 25963.79 14201.32 15142.04 21806.87 15068.28 12108.36 8988.36 21546.11 11310.24 18879.8 6962.85 5336.89 19350.34 13686.24 10336.2 6690.53 8660.64 8221.9 5973.23 24706.68 17321.26 7149.44 9265.05 11859.21 13518.33 10560.43 15843.56 16190.96 10151.05 15937.87 17302.03 18431.83 17580.4 17345.08 18663.08 18318.3 18001.57 18522.82 1-(3,4-Dimethoxyphenyl)propan-1-one 382.11 158.05 21.39 21.39 371.49 21.35 21.39 392.22 264.12 21.88 21.39 889.31 126.72 354.8 675.92 21.55 21.07 505.91 292.77 17.9 295.79 21.39 21.39 21.39 148.47 21.34 21.39 291.18 21.39 106.96 254.91 21.39 21.35 21.39 21.39 248.72 253.32 188.98 21.39 21.39 782.04 659.71 21.39 21.39 282.91 21.39 344.88 21.39 21.27 276.19 26.6 24.1 21.11 383.43 298.92 273.71 21.69 22 127.51 21.58 21.48 21.45 20.93 21.41 225.92 576.79 583.18 158.38 111.7 156.76 132.75 125.18 21.39 21.39 21.35 72.72 72.81 72.79 96.17 104.69 72.8 95.12 95.69 105.18 3-Hydroxy-5-cholestenoic acid 29924.76 16573.39 26298.34 8658.02 25318.53 83431.89 9798.99 8265.96 30620.13 24164.26 10955.3 22153.55 2315.83 4743.42 6414.78 11980.81 25518.4 46460.12 7536.27 52420.71 39684.18 2853.86 7940.97 6669.55 9841.73 21853.16 5145.05 6761.62 33209.61 20853.88 37724.05 28815.33 1082.97 14200.39 8620.31 1500.78 14664.31 81781.84 1844.32 18618.79 35815.29 42804.89 25663.77 7186.16 58531.05 8260.36 2421.29 11616.65 2047.82 3492.8 35581.78 7081.55 1281.33 4901.58 23627.92 27214.31 4985.05 6500.36 16125.61 6999.66 8252.77 10635.61 12419.69 28548.53 1390.17 34548.84 67948.25 10531.36 1230.58 20060.81 16242.99 32108.05 11293.7 1932.86 3112.21 6367.73 4999.61 6302.5 7997.19 7025.76 5393.66 7452.61 5484.48 7271.65 Lysyllysyllysine 508.7 573.8 335.69 428.7 895.01 1180.43 1168.13 722.9 425.67 392.19 381.01 473.23 431.27 426.16 327.08 535.63 323.33 349.36 418.79 799.7 286.34 719.29 521.44 266.77 658.74 376.55 524.32 904.95 263.16 230.95 492.56 548.32 307.52 398.47 543.03 494.2 368.99 606.02 603.74 661.28 264.25 716.34 505.44 336.59 616.06 602.11 642.42 542.07 443.7 893.11 577.48 984.1 343.92 294.49 256.67 518.62 484.8 447.72 517.27 377.87 386.11 568.25 825.95 378.85 651.85 337.95 549.21 529.56 328.49 639.59 469.82 795.15 927.28 719.8 348.37 1082.53 1156.12 1205.69 1159.15 844.16 1097.63 1050.85 1172.69 1099.02 Veliparib 1769.89 1067.28 822.96 1033.26 3761.61 3105.27 1294.94 3044.09 1316.71 1017.24 1282.21 2027.95 2171.25 2248.72 1223.3 9591.44 1087.18 3013.84 4430.78 3786.11 1874.72 717.86 596.51 974 802.97 1110.33 850.17 765.52 5855.81 1934.14 4000.89 11872.51 736 1130.33 1419.07 7792.96 1883.37 1511.7 1386.83 1158.28 3522.85 5777.12 1777.54 1310.23 2921.32 2227.39 5948.33 2399.11 1968.72 4790.33 4965.68 1561.78 1773.32 1833.85 3393.44 1164.07 1116.68 1002.36 1346.32 1139.63 734.36 1260.21 3017.81 1637.22 1271.6 3906.46 1790.42 1373.04 1382.64 1746.95 1167.64 1507.7 940.93 1548.2 1643.23 7522.62 11414.49 5353.8 8812.24 9465.05 6227.53 7299.44 4923.36 10820.84 7559.62 10250.15 8246.49 6854.95 5409.46 6604.05 8415.83 7672.87 8416.3 10416.02 14215.89 8892.4 6963.08 6318.5 6600.8 11934.97 2516.04 2640.94 2461.23 2474.79 2525.43 2550.33 2564.7 2556.1 2291.72 2,2-Bis(4-hydroxy-3-methylphenyl)propane 1797.02 1106.49 1256.25 1482.06 1107.61 1229.92 1146.43 1925.98 1136.28 928.52 1547.83 927.06 1396.76 1149.52 722.73 1345.27 1194.1 1332.73 2002.73 1035.25 555.16 1537.02 3161.3 724.25 856.36 619.03 2180.78 1891.11 1433.7 1259.99 1383.35 1729.83 1279.88 957.67 1208.06 2302.67 1201.98 1567.26 1317.77 866.34 1006.88 1363.61 1771.66 783.49 1408.79 1161.93 1454.86 1199.73 722.1 1374.11 984.99 1258.93 832.53 1021.14 2241.3 728.6 3091.61 1084.52 1024.05 1233.39 1261.23 1434.59 950.22 631.29 648.62 883.74 1472.18 1648.56 1877.69 1845.74 1839.78 1284.35 1336.8 1417.01 1642.95 1136.46 1316.68 1363.75 1277.77 1015.34 1295.36 1226.17 1266.12 1298.89 N-octanoylsphingosine 1-phosphate 7382.87 905.51 1251.95 17544.79 1645.53 7105.06 2006.87 1827.28 1175.53 1063.15 3176.12 1165.8 6991.1 1152.23 202.22 7907.82 292.85 1493.83 2207.06 1832.57 1411.71 1318.11 1288.29 128.51 1408.38 1679.11 3013.06 2147.32 207.85 179.6 1100.52 22462.14 1242.88 1722.24 7938.22 1445.98 1471.22 335.54 1169.21 818.48 8137.72 11454.43 1620.95 429.11 1725.79 38789.51 1944.12 155.47 689.64 5641.06 1818.05 157.56 706.09 1163.83 183.52 145.75 248.04 343.48 1129.39 1207.8 1402.41 1537.18 1507.19 459.64 916.25 10788.11 211.96 1412.63 717.41 1050.67 866.06 1730.89 1591.51 8042.37 4162.51 5776.53 5783.49 5917.22 5926.9 6342.03 5841.93 5859.03 5893.53 5667.07 Butorphanol 2589.83 3603.65 1079.93 124384.6 487066.25 165972.7 256170.43 5089.33 2024.53 1719.97 2033.47 1560.55 62944.67 3110.84 4751.27 8514.68 2774.92 1305.85 1941.76 4409.67 2396.92 23627.82 3126.03 2627.42 2827.93 4825.59 4562.08 1112.55 4104.15 754.84 2824.78 5286.1 968.7 7073.89 6988.06 1091.38 1272.51 1500.14 5827.44 3234.6 66897.21 10225.91 5922.53 5011.65 1617.45 77697.5 7333.53 15561.56 1801.39 3000.28 2372.77 1922.36 7465.03 6529.8 4704.83 4872.53 16659.02 556.32 1795.12 18515.39 1836.31 7963.49 3794.32 9228.97 988.61 4032.9 2138.55 4234.37 5033.21 1776.81 3269.63 4874.73 732.29 6571.39 2065.85 4827.73 4598.75 4725.4 2537.12 4911.98 4270.78 5048.32 4471.18 4796.33 N-[(3s)-2-Oxotetrahydrofuran-3-Yl]hexanamide 1725.34 2036.1 1689.54 2396.59 5462.51 3621.22 1836.02 2707.41 2210.22 2167.85 1330.91 5048.05 7593.78 2850.56 2087.61 2018.76 518.88 3028.69 3547.66 2750.61 1132.25 1102.96 3586.54 1091.58 2223.99 1362.16 1295.04 1481.41 3238.52 950.63 1782.59 5869.53 2180.98 3522.68 1886.83 1086.19 1291.33 1733.21 1931.77 481.83 1152.2 3872.88 791.75 2020.88 2705.18 3390.06 824.61 1717.44 5388.69 3085.05 4876.91 2420.37 2046.28 1680.88 1855.18 1197.45 738.21 1534.63 2694 1343.67 1334.29 1946.67 2360.41 873.44 684.74 4957.86 1101.21 2013.9 466.65 1657.48 1793.92 1635.94 1051.12 573.69 2228.61 2321.5 2360.21 2363.16 2298.92 2214.8 2302.84 2336.81 2299.82 2361.16 Rauwolscine 5771.74 7394.39 12708.42 12477.62 12960.7 14607.51 16586.33 6848.5 2739.06 12086.29 5923.43 10962.07 18600.33 13001.23 7509.24 19345.86 15111.28 6178.73 22289.98 6610.85 5019.29 2403.49 13376.29 14560.71 7600.51 9637.2 14373.87 9361.6 6828.04 6089.5 2074.42 15796.61 8489.92 25912.09 17340.21 9650 6837.43 7253.81 13064.67 14777.66 568.88 6530.54 16136.2 13040.52 2600.4 11937.95 2001.79 24199.47 13574.74 29483.17 7528.49 6055.78 16552.73 29158.56 7320.1 9031.95 13735.69 11389.97 8660.76 6520.98 9849.26 15209.95 5705.04 19012.19 15238.92 9711.55 4754.37 14773.81 17284.19 7585.15 6952.64 14814.42 10904.24 23970.55 21854.59 10610.23 11189.67 11242.39 11098.04 11184.41 11532.05 11070.15 11277.91 11284.18 Fexofenadine 14389.38 2096.51 11452.43 7033.34 16120.08 22857.64 10463.85 7081.64 8620.47 12484.46 1252 5860.54 20497.54 11866.69 11017.51 7376.13 5028.31 9715.34 3175.56 3309.69 3396.01 3902.54 11849.4 1762.68 4745.02 14134.05 5874.13 1654.58 10263.33 3069.26 6376.47 6729.39 6959.67 8979.42 8383.1 7189.83 20400.71 17931.39 11519.1 11048.06 7275.77 18652.71 3058.81 1428.73 20111.15 3669.21 8214.41 3065.28 4769.76 2215.24 17079.48 18009.42 11785.06 13820.05 13272.34 12650.53 10984.25 7496.39 8390.71 5269.09 5103.89 10224.54 25411.12 990.55 845.35 15273.26 9580.65 6703.72 1167.53 12085.41 7924.8 2841.27 4834.98 4756.07 15076.08 3020.15 7355.18 7147.98 6715.34 7701.23 7241.98 7157.42 6446.64 7294.32 Zeaxanthin 5589.84 7007.75 9343.4 8467.49 9161.73 12124.33 10505.67 8091.08 9497.03 8202.96 6930.65 8590.43 8374.6 7520.64 6335.77 13553.82 6300.5 7476.44 10685.92 9452.07 7191.49 5774.76 6515.59 7530.55 7962.55 9065.8 8653.32 7426.81 8777.96 11464.42 8566.08 12854.39 7281.55 5165.16 1942.83 7695.11 11344.08 6539.89 3549.92 3473.24 7225.9 5529.41 14295.21 7679.47 10086.18 12893.09 4163.25 10563.13 10908.38 9430.92 4409.41 8313.09 17316.43 7489.62 9145.92 11574.4 8605.64 1501.02 846.38 10372.4 5876.56 1482.76 3392.05 9093.26 5205.97 2980.62 13055.16 11983.42 9298.97 8778.34 6750.52 10328.38 12431.07 10222.36 10760.01 9497.75 10906.49 9878.56 8872.73 4671.41 9418.35 9415.81 8822.01 8700.1 Glycyl-tyrosyl-lysine 990.25 750.81 1556.13 5737.58 3458.34 1201.23 9056.74 519.15 2593.5 493.02 1601.85 2031.71 5235.11 717.78 856.8 906.31 1050.87 827.11 3062.13 1097.65 1905.29 888.01 1225.47 1699.64 523.21 722.45 901.46 2454.94 742.93 1003.02 850.24 1311.63 494.47 3951.38 2528.97 1587.86 758.76 1438.31 1566.75 3530.55 1139.5 1019.36 1540.39 413.26 541.53 4365.6 1531.97 1779.51 2422.19 2162.56 2092.23 1798.33 2351.64 5897.63 2654.13 456.89 837.11 707.19 550.39 1993.57 817.71 2033.03 2450.55 4438.95 530.29 4789.42 1137.83 540.72 920.73 490.18 1408.96 1210.77 3187.98 2900.2 5094.18 1973.02 1968.09 1925.84 1919.84 1929.06 2026.77 1920.03 1923.2 1967.65 (20R,22R)-20,22-Dihydroxycholesterol 22526.21 5024.76 525.37 4023.07 15750.09 33367.48 6266.78 35016.85 22729.95 3514.98 1426.11 56708.31 1903.42 3798.12 18241.01 1884.62 1483.84 13724.68 1106.49 7781.62 66880.43 1168.82 5066.11 1603.47 36054.4 42030.75 2196.75 1125.99 4029.48 39606.99 58243.13 11550.5 28515.53 6376.87 5232.97 32527.16 25365.61 30391.03 2931.56 1325.1 33399.32 44111.88 2554.39 4654.46 66761.26 7699.93 36908.92 33945.04 1070.41 3688.2 22825.58 26308.66 3829.42 6174.71 32116.54 22079.01 930.42 1899.59 39605.26 12651.15 3046.82 4069.73 17681.37 5004.5 2269.89 43920.15 34548.4 2937.41 7727.78 37309.4 25080.8 4816.99 2546.23 3473.65 2883.27 17981.23 18012.77 18122.73 18498.87 18618.16 18815.71 18709.65 17766.23 19524.27 Unii-4S7U3Q8S6W 142.01 452.84 245.42 6988.82 72073.01 104741.37 65951.81 657.15 1866.35 1398.44 295.28 533.57 4159.88 207.85 152.83 2782.37 56.7 526.29 1376.05 106.98 2255.77 364.57 2004.38 210.51 66.87 1106.47 552.24 185.25 101.29 730.74 1322.91 142.77 273.93 78.09 1227.82 1915.16 2830.5 664.86 110.35 78.25 21714.12 1537.99 106.52 1282.32 96.93 5139.3 3306.38 3802.9 2308.12 216.22 572.42 80.74 1273.73 81.94 281.95 246.61 2174.04 866.57 321.62 2495.54 110.75 438.91 1438.22 1097.37 802.34 147.64 1916.12 110.22 108.48 158.66 2139.95 268.37 57.76 170.31 1302.17 7001.12 6919.12 6976.36 6933.31 6933.72 6920.88 6873.22 6977.28 6932.39 Diltiazem 20669.66 45250.21 913.64 20167.54 24832.37 30418.13 34053.94 27503.67 21559.53 24273.49 21283.96 23888.59 36153.7 750.24 22642.26 27268.32 19002.75 31427.68 35689.44 21601.97 12759.18 11746.7 26875.94 18684.19 22933.33 21084.74 792.99 585.24 1124.62 5809.54 24232.03 52321.89 16289.79 29937.49 25916.59 42551.09 20779.77 25198.91 26231.17 22471.87 20643.41 48460.64 32360.1 28800.73 30130.43 38989.46 26564.98 28423.15 27666.83 39563.83 37592.48 46131.39 30937.11 42471.97 22949.9 39597.95 12583.1 18791.19 24325.22 15888.45 23877.77 26695.38 24479.75 14573.63 11259.99 34324.03 20374.12 23280.35 21088.93 17805.56 18265.76 31611.97 15088.4 23642.77 23551.78 27452.05 28192.97 27588.07 27249.79 27252.71 27262.07 27252.46 27246.57 27597.44 Tosufloxacin 3139.28 4252.19 1833.58 1757.92 887.93 2747.2 2665.21 6259.1 4661.01 2039.06 4257.28 3576.57 2805.78 1466.22 4616.18 5979.41 1697.98 2535.76 7622.69 10878.05 5751.26 1134.27 1478.62 3044.38 5973.21 4045.53 2806.33 3437.66 5477.72 1648.52 7615.75 4643.51 1170.65 1509.63 3959.3 8161.12 4152.58 3419.22 2166.19 561.64 6826.51 3503.56 3281.95 1581.23 6095.41 1831.25 5659.89 3946.18 2652.95 6074.87 1660.88 2091.25 7590.4 2040.96 3241.64 3255.36 1466.2 811.19 4113.98 912.07 1482.31 1637.78 1041.64 3919.59 3306.2 2217.2 3776.46 5023.68 2806.53 5418.47 3446.58 4164.24 2938.8 1412.59 3549.51 4645.85 4413.99 4459.52 4395.57 4669.46 4385.41 4634.96 4652.78 4758.07 1-O-trans-Cinnamoyl-beta-D-glucopyranose 5803.34 1371.78 619.43 691.59 2278.21 6862.71 3469.1 2954.35 5532.65 11581.08 1369.1 1653.16 2629.76 1025.53 3934.57 3216.98 1741.43 6307.79 5065.01 2195.75 3483.6 1368.39 2469.06 1707.86 404.57 4221.11 4409.33 1073.48 2556.96 1633.82 930.7 1468.24 2598.74 4067.74 3138.35 5220.64 4535.61 3881.38 3634.08 2596.97 3079.73 5447.53 3806.65 2948.95 4578.98 2823.89 3926.55 2451.87 2160.9 4852.16 3578.55 4923.75 1495.8 4940.75 2339.61 3323.46 2362.77 1369.24 5064.35 2236.11 3082.27 1940.25 4773.45 3794.88 3040.8 3688.21 4403.69 3667.61 2401.15 10754.41 4021.56 2094.24 1983.83 2149.81 1878.82 3141.74 4022.3 3995.71 3883.56 4092.74 4028.11 3973.82 4025.98 3877.49 Glyceryl arachidonate 7251.64 881.01 2915.41 15420.03 43127.77 25566.99 11708.89 5181.55 3493.71 1980.52 536.52 3970 13900.87 1254.01 4558.01 7512.2 750.65 842.81 4715.51 3590.1 3534.22 2374.51 640.22 4422.72 8583.35 4244.05 4907.35 3081.1 4969.49 859.03 3361.57 665.56 351.52 848.84 4045.65 8978.23 4047.71 3232.55 1131.01 1534.92 16719.46 11573.51 995.24 2851.48 2120.41 16213.93 6624.35 2977.83 7287.36 1314.41 801.46 1216.39 423.96 1522.68 12246.21 3523.49 2586.4 366.9 4117.6 5339.23 3280.16 1704.51 2575.02 731.91 520.98 7379.41 4395.49 3782.25 5577.19 5741.51 1975.58 3502.7 532.1 1930.56 6853.22 6944.86 6975.1 6974.58 6837.57 6946.48 6975.81 7073.29 6968.19 6312.44 24-epi-Brassinolide 26055.46 34861.06 6985.23 6776.5 28629.3 35733.03 4219.83 36308.07 29594.83 17200.74 529.36 11186.68 11994.67 1165.02 27300.51 12625.51 1296.56 13647.16 18565 34429.89 42882.68 24438.72 8379 1738.7 24364.37 27172.27 5947.51 5901.45 19162.4 9898.33 15862.87 1393.47 17802.95 11109.73 1167.08 22586.42 26977.72 18294.69 5014.67 5987.05 14559.18 31066.14 2235.64 1444.47 13513.65 12302.85 8648.48 14765.46 9147.79 13406.49 18182.54 21926.33 6455.23 11206.27 28812.37 31866.04 6842.21 6396.41 25622.86 19266.95 5988.61 1771.69 18850.89 6299.12 9283.72 23988.95 37223.1 4166.98 4756.05 38005.57 24446.58 16992.72 1579.48 6898.41 10820.83 4014.98 3264.31 5455.35 2890.02 3205.1 2966.08 3659.42 2126.29 2431.49 2254.23 2010.07 1873.11 2698.84 3673.33 3288.98 2970.24 4617.47 4263.7 3398.85 5165.53 3433.64 4139.97 3433.61 4335.98 2776.34 18848.54 18283.12 18778.49 18854.6 17354.58 18492.69 18714.48 18850.95 20306.06 4(5)-EpDPE methyl ester 577.15 4475.49 500.68 2295.23 2164.52 3865.75 5275.09 20972 8398.87 2490.82 3285.64 2470.92 4902.57 11078.55 3134.77 4531.83 8439.04 2911.68 4519.63 21956.02 7531.3 2800.24 954.16 2545.63 2647.57 428.48 2975.76 1029.76 6759.47 14201.46 2760.58 8617.45 563.23 5780.01 3660.35 10877.58 13367.93 2780.91 2107.03 1165.58 3841.91 7133.77 5289.33 3619.52 10342.93 2916.73 4805.56 10373.99 4990.29 13357.38 19087.33 8381.42 18193.16 6633.81 11181.47 780.99 28593.62 547.4 11253.66 1194.09 8764.15 13074.05 5480.53 13656.24 10229.69 8372.12 5057.24 3515.7 2648.33 16059.14 4384.2 2157.32 18272.18 625.93 3746.68 7968.27 7654.29 7425.98 7653.87 7355.11 7057.38 7584.88 7337.97 7062.05 Primin 8474.23 6999.19 7415.74 12818.69 11254.92 8235.85 18092.06 2673.34 1874.29 2851.83 12509.09 7342.52 10763.67 8919.36 8682.95 14787.85 7872.12 8102.15 11986.26 6915.81 7536.02 3496.35 12261.19 13446.89 6148.62 5156.84 19681.34 9513.23 8074.97 5685.25 8957.28 21141.05 7610.53 14332.82 12783.15 6706.48 8483.44 6487.16 10638.52 9374 7589.99 7155.46 20613.3 8219.59 8363.78 10162.63 9169.75 13789.42 12185.6 23285.95 10595.29 5927.12 11292.38 13953.57 7930.9 8149.82 8844.23 6840.34 5683.24 3736.44 8705.84 6078.21 5134.54 10704.23 9451.94 8339.41 10447.88 10835.32 9754.12 7493.95 7215.19 9099.52 9220.51 12123.62 15313.11 10745.59 9147.31 9571.45 9568.23 9146.64 9471.9 9603.2 9572.06 7285.99 Glycolithocholic acid 11437.46 3026.87 1156.14 448.59 5448.08 3462.12 405.13 13879.23 20757.91 1175.92 864.33 15629.03 523.29 1601.07 2773.23 1914.18 949 803.53 2968.1 1222.09 13678.49 1166.43 804.14 1426.17 21387.73 3596.43 321.27 453.04 2846.72 2084.73 11974.46 13355.56 2264.18 528.52 1179.67 17286.69 16176.88 5310.69 425.39 674.9 4916.05 19054.28 628.87 697.46 18924.43 564.15 12980.47 7542.12 1083.05 779.99 17280.03 5513.05 1423.66 521.51 6962.62 5449.61 1454.67 872.2 10945.36 1640.95 695.9 2951.16 6157.18 316.95 887.68 11923.88 7771.92 703.41 1017.3 11716.39 7619.74 1738.63 3523.29 1701.96 1355.3 5205.12 5577.65 5276.06 5059.21 5126.15 4815.02 5263.62 5275.58 5109.02 Bifemelane 1923.8 1420.07 1143.6 1872.48 2067.16 1893.02 1922.63 12412.16 5108.04 2953.54 4597.64 989.3 660.26 868.87 2283.56 2847.74 1062.6 895.43 972.01 3496.37 1018.15 1823.43 378.85 6506.57 1393.84 917.73 1310.56 1863.85 1475.46 841.15 501.03 1356.64 1811.5 973.97 2548.96 1851.76 5234.23 2029.18 1215.61 7592.25 2257.3 517.28 4471.83 1749.19 2395.94 2196.43 876 2594.51 962.94 388.16 5299.92 3533.7 3960.63 8551.59 9200.74 2126.74 1886.27 2934.19 1884.78 1649.93 886.1 537.91 11057.52 6848.86 2916.58 8217.23 532.27 1032.18 950.23 4503.74 2361.26 1889.93 2218.19 2880.41 2368.88 2520.66 2863.31 2448.09 2554.55 2702.63 2629.5 2576.99 2540.62 2509.02 Sinefungin 2736.55 4167.33 8138.02 13250.72 17259.31 7332.05 17257.48 3903.7 2396 4205.72 1646.12 5722.45 974.77 7064.16 4842.24 10031.34 2885.77 2767.66 1341.18 2225.38 1769.01 5273.93 988.72 8098.23 1216.01 1341.06 7703.94 5994.57 5467.29 1026.5 2604.15 11812.45 464.48 8839.88 8206.53 2757.9 1123.2 5216.12 6516.53 5303.79 6312.58 4120.31 9049.5 5511.3 1797.67 8138.54 2300.23 7675.2 7601.01 8670.3 2743.05 5147.43 8776.66 6204.62 1896.08 6708.11 8350.44 5292.82 3234.11 2598.66 5395.04 7898.85 1737.55 8420.46 5121.47 4774.24 5543.13 4521.94 7255.21 5189.19 3428.63 8633.66 6429.62 8550.14 3540.7 7399.45 6749.23 7605.29 7308.09 7500.71 7506.94 7313.63 7513.13 7300.54 Thioisonicotinamide 537.63 3314.15 3913.83 3919.19 1739.65 2922.21 1938.05 616.27 1330.93 3887.1 9739.83 4297.41 3015.85 1578.67 524.05 1029.91 1598.83 4033.33 869.48 444.41 561.53 3872.45 2984.88 1534.93 613.99 904.91 1766.83 577.64 776.71 1235.43 12755.63 1875.5 533.62 5324.07 2463.49 3179.85 798.74 1170.22 1765.68 1295.52 2798.93 671.39 1286.35 1154.99 3226.13 1675.98 603.34 1636.95 1718.3 610.73 760.21 5211.97 1754.66 2061.33 2345.16 2120.07 2955.81 2926.17 606.28 819.12 2039.88 5317.18 857.88 1285.79 941.03 1617.98 465.48 2016.02 478.59 704.37 541.57 4214.02 707.26 2833.07 836.3 2086.66 2061.99 2074.54 2071.81 2035.79 2067.98 2086.37 2159.25 2066.96 Cyanophos 58238.63 57209.91 73851.51 52786.38 67516.36 26827.81 39965.11 80293.28 81073.53 62817.89 11465.12 36228.97 60915.63 58030.86 54368.21 51458.52 46253.06 58488.43 75140.4 48714.93 56447.94 30535.24 46146.96 58717.99 74934.03 73918.21 70697.75 68335.47 74390.33 42604.16 44807.86 60092.02 43671.95 70057.51 51732.95 80854.9 57861.66 15793 54061.04 43591.65 35770.86 44695.5 57019.63 48358.31 61663.1 31773.06 70371.99 62101.33 31592.17 40292.74 37399.9 44434.62 52272.9 32468.95 35956.29 52484.45 47737.46 41724 49154.62 21093.81 41584.38 40397.21 47449.11 47003.58 55742.12 52921.49 42148.98 76072.36 56839.42 62936.54 50563.22 45036.77 19923.87 29549.62 43888.72 52999.74 51732.59 50335.44 51172.73 51379.96 51956.51 51134.44 50922.05 51546.34 Tetramisole 3527.28 3183.01 3199.56 16573.19 4584.16 2489.45 4594.18 3718.28 3134.45 3559.14 3064.07 2919.59 2093.89 2686.04 3998.23 2124.42 2171.35 1708.55 2077.21 4204.62 1776.8 1422.79 1831.94 2149.33 3586.69 3750.56 3010.74 2848.4 4023.71 3634.84 4000.2 4745.4 1152.57 2969.36 2869.38 5794.77 3097.35 2506 2500.77 3020.45 5093.85 4276.64 2320.94 2949.46 3868.2 3253.55 3162.48 3645.92 2139.64 4236.39 3330.84 2633.54 2945.05 3425.46 2749.55 3556.25 3102.04 2809.36 3577.18 2675.21 3112.64 1299.31 3455.29 3392.48 3714.28 4038.57 5330.32 3546.92 2629.32 2294.6 4156.64 2705.7 3693.28 4508.95 3347.85 3774.7 3622.13 3708.71 3619.78 3623.39 3613.16 3684.34 3462.13 3723.15 DL-3-Phenyllactic acid 8524.79 8274.42 16314.53 16789.67 13742.48 5825.78 23071.07 13552.39 13101.67 9059.23 11976.59 14663.49 13863.39 12316.76 11137.9 13161.94 8953.77 10703.06 13575.52 10613.34 9206.3 4387.8 9729.48 13723.99 12862.58 8021.63 11365.96 12839.34 9239.19 4368.15 8231.24 10683.24 5316.36 15793 15197.17 10107.11 11192.94 8573 13990.62 14412.71 3340.14 6857.01 15513.54 10214.63 9502.57 22563.87 9985.8 10335.68 13574.74 10106.52 19269.56 10989.1 14312.18 26100.44 12699.51 8543.22 13770.36 14516.04 7326.77 11867.17 11410.83 9501 15353.6 21690.61 10469.8 13016.95 8661.32 9128.66 9759.86 12029.93 10668.72 8603.15 16275.03 18820.3 19111.03 12111.62 12186.35 12109.58 12210.86 12110.93 12136.51 12121.25 12091.05 12110.59 1-Acetylindole 266.6 1408.75 1874.54 29534.71 384.07 3297.22 607.93 1181.91 1510.91 1860.05 4376.59 1410.13 28977.26 2037.34 1852.79 6571.33 2509.21 3932.09 257.53 2145.27 1235.76 275.47 1440.91 939.35 1212.58 1445.51 1890.7 273.65 1514.4 560.93 1697.53 7720.45 1995.29 1774.68 21143.29 1164.61 2417.31 1418.88 2032.17 227.62 8799.88 3069.82 3638.52 2216.2 1722.31 48739.47 1675.99 1386.54 2594.99 4155.14 837.86 1744.51 453.53 2207.94 1935.59 2072.14 3517.72 3770.07 1646.84 1511.51 2463.43 642.86 3771 2702.99 1205.8 4003.54 3017.1 405.39 244.91 1445.26 1774.07 1747.3 1649.65 17652.74 4657.03 4854.23 4339.27 4572.57 4442.39 4438.29 4386.7 4519.76 4373.07 4373.31 (3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile 12051.53 3986.23 5646.65 598.83 8701.33 3904.71 4975.59 13061.05 8044.09 7606.62 6741.59 1825.11 4129.46 7443.5 8565.14 7387.92 3072.33 7702.08 5114.31 3785.97 7931.28 907.36 3253.47 2712.53 14499.25 17319.37 3335.56 4929.12 7595.11 784.84 9617.78 8119.19 5712.65 4586.9 5322.34 11773.58 10596.77 4751.34 5942.29 3274.16 6651.73 21694.47 7405.78 3913.06 15523.89 5474.15 9080.71 6271.92 5644.81 7536.12 4773.19 6604.55 6486.1 4214.57 4077.76 4433.56 4793.02 3285.24 11238.38 2182.58 4284.44 1947.65 5507.87 9018.3 4907.87 9221.29 8903.58 4854.53 5335.3 10418.84 10096.01 5782.33 6419.53 5716.79 1219.52 7084.99 6961.09 7089.02 7080.94 6589.29 6963.15 7084.27 6958.83 7185.94 Dipropyl phthalate 18134.92 4980.95 939 1383.55 7626.04 448.14 2618.57 18198.39 17877.26 471.15 730.45 5257.68 578.17 1601.81 10517.97 7998.18 4425.81 7596.63 5597.07 12743.19 14843.05 375.27 2107.84 542.61 15345.4 5194.1 4960.1 1379.19 19430.73 6974.48 14289.27 6380.79 4884.07 2108.07 2890.38 15488.21 14018.76 1348.26 3870.42 5203.7 17381.11 17482.52 1013.9 3068.85 8562.96 644.82 13106.89 681.45 6595.2 7945.81 8323.68 792.77 753.19 3768.03 10424.43 6388.35 1319.27 1472.58 8833.38 2236.64 765.54 564.34 6028.41 1938.21 4648.62 11100.17 7717.35 2207.78 7921.58 14431.65 16625.51 5386.2 7040.68 3633.72 971.29 8414.56 7755.65 7988.73 7812.16 8629.72 7842.07 7888.52 7041.57 7723.62 11,14-Eicosadienoic acid 8656.91 7309.7 6888.54 8548.87 10372.5 9556.23 10508.45 7965.04 7088.68 8201.41 4983.1 5137.74 7748.93 7041.17 7433.05 8232.27 7668.98 7683.7 6688.06 8696.08 5654.02 6887.96 5768.44 5929.3 7381.47 7959.12 6537.29 6078.46 7433.14 12027.77 5684.73 6665.17 6521.56 6981.99 6948.85 7999.02 7364.9 9308.47 8532.6 6652.65 8285.29 7119.52 7172.89 6474.4 7950.77 8187.84 6594.08 5789.42 7010.68 7537.94 6241.56 7151.18 5236.07 6752.17 6937.45 6287.69 6373 5199.88 7359.86 8257.4 6396.09 5831.59 7100.04 9282.97 4482.38 6374.4 5937.55 6418.25 6014.29 6609.15 6652.17 6472.54 6019.95 9143.49 7441.1 4571.34 4987.65 5546.98 4191.32 4227.86 4251.62 3857.73 3298.84 3349.78 3373.45 4077.55 3409.33 4986.6 4221.63 3615.29 4094.99 4013.38 4427.26 4097.65 4523.25 3535.73 5047.93 5249.11 4379.04 4787.52 9246.33 9176.28 9171.48 9243.99 9171.69 9243.74 9172.44 9244.05 9168.26 2-Arachidonoylglycerol 8536.73 4794.06 7545.57 2126.66 1602.19 9203.35 2791.52 6890.57 10208.76 13200.21 5472.91 3664.17 1006.81 2575.25 2170.85 5159.38 4680.45 7290.72 4554.48 15262.28 13424.7 1026.94 3082.24 4498.91 742.93 11425.65 8726.93 9053.78 1042.33 4842.51 9788.95 13247.76 5414.49 7621.88 3180.76 2687.08 9674.16 5072.99 1332.2 1445.91 4373.33 9475.67 12057.31 8474.38 2369.64 12479.21 2143.17 11761.41 468.23 8586.36 6344.55 4327.72 5983.32 3944.61 5176.52 8088.01 4190.18 3900.26 879.46 8417.43 5170.24 7561.95 1174.34 8353.74 5772.21 3014.53 9156.48 7594.4 8523.33 6966.83 6450.27 7526.77 7074.14 1729.03 9528.68 6766.56 6745.09 6756.49 6366.13 6475.19 6861.05 6680.31 6204.86 6384.72 LPC(18:0/0:0) 31718 40795.86 31848.05 29953.72 31644.21 46550.9 18473.72 27657.95 31718.78 33964.1 15482.32 22855.42 52699.36 61204.55 33548.94 28791.36 29416.93 35083.52 29052.08 32369.69 28169.26 53578.26 22156.88 19940.51 28352.63 45125.66 30541.84 31914.71 35331.59 35063.97 37785.52 45559.57 28110.84 56009.88 32328.67 35051.53 35811.08 42670.9 30815.59 29477.52 52814.47 130417.19 32659.29 28814.54 30493 21435.87 31489.38 30337.89 20151.43 39132.15 35607.55 39568.35 29741.92 32904.12 73045.21 36924.19 29736.38 27605.25 30054.49 32161.9 14679.34 23856.87 30834.87 32707.28 34902.51 27032.9 40002.39 28438.74 28156.76 30287.92 36389.39 30917.6 24273.28 34797.64 38371.84 82955.07 4230.27 70103.96 69190.72 52391.15 42088.07 26013.46 67218.5 58948.9 63889.56 925.7 13835.48 14114.3 30610.38 5902.28 5381.8 14885.0 49407.26 48405.65 71448.87 64040.83 13354.19 40101.67 53087.81 34804.73 35556.13 35793.97 35743.49 35793.92 35871.8 35616.31 35554.86 35552.87 C22 Sulfatide 2207.38 1973.89 1912.55 2192.15 1515.14 1179.76 8327.23 1631.69 2084.38 2111.1 2646.18 1124.11 1069.59 1879.45 2247.32 4688.38 726.43 1259.24 714.3 1456.87 1103.02 1363.25 742.25 654.69 398.17 767.34 347.8 818.53 1350.88 735.53 1342.57 2294.09 1928.82 8579.34 441.37 724.16 905.07 1536.1 617.83 574.67 2023.27 1425.35 462.53 333.99 1942.79 9848.33 879.55 638.04 1865.23 7408.97 2146.97 1955.89 691.36 3760.3 397.47 513.94 302.57 396.62 451.21 378.64 322.88 2461.03 441.16 430.16 1293.69 3506.32 2012.24 435.24 539.44 1876.65 551.29 350.18 507.38 3916.27 26233.08 2826.9 2893.87 2833.45 2892.42 2859.78 2879.82 2828.08 3064.25 2841.76 (E) 9-octadecen-1-ol 56352.61 114124.1 65226.18 65733.76 44060.07 136083.19 63388.13 56079.53 55116 62501.22 30868.98 51002.29 45217.14 61042.19 81268.6 68750.82 61203.31 74808.98 75812.65 129965.32 41699.56 117697.48 38222.79 60154.78 46528.58 64282.45 62679.76 50530.18 77729.42 83606.71 81956.8 111761.08 46962.95 67169.32 79732.74 69337.15 51652.81 49010.58 41486.53 107440.04 85851.14 71937.9 71051.23 45067.73 52897.21 34945.29 84279.19 124659.86 33708.08 68220.33 29506.47 42992 36316.49 47164.2 73907.81 76808.45 54597.36 57634.84 46510.85 115511.44 57041.3 75679.8 43903.57 71924.89 69024.61 56472.39 84580.29 63643.28 99680.1 66788.85 74847.24 91298.66 35102.78 76804.28 66478.91 65480.23 65937.9 65928.81 65714.42 66175.42 65741.19 65012.93 66885.44 65982.5 Psilocybine 6014.17 14142.43 31717.67 24402.79 5818.57 17196.07 37747.19 10120.11 14874.36 30851.8 27507.96 20304.44 22984.76 29994.28 9979.03 58806.23 39475.34 19321.03 31275.86 41012.13 20868.72 18212.52 24931.41 15949.57 21201.05 20700.78 11665.25 2882.17 18815.85 10532.77 33475.25 27106.83 16918.17 20624.66 28922.92 7965.83 17050.36 8764.89 29556.13 29329.58 8728.71 5839.72 36761.09 31393.1 31677.73 36099.25 35473.87 46872.43 23927.19 55738.4 14081.51 32734.55 21826.73 30078.56 3733.81 17851.36 29900.15 34589.43 20252.72 18981.86 18953.4 19286.25 26145.82 36828.52 33920.4 16706.03 29154.14 19030.95 39902.73 25551.51 27706.21 32766.68 35617.61 58610.19 41072.58 17779.4 16631.95 51090.19 31878.73 37274.55 29251.64 80494.06 25076.82 2000.91 17136.63 30951.45 15607.58 48070.01 21279.49 17938.33 27881.81 24432.95 30427.1 25655.15 27029.96 64057.71 32498.49 54223.65 32929.71 62534.64 29937.8 30448.06 29525.96 29186.44 30277.29 29327.97 29546.77 29715.27 29274.24 1-Naphthyl glucuronide 4968.57 5704.09 2209.09 2356.81 3910.31 1637.21 2981.41 5868.41 3201.36 5620.11 2401.4 4255.8 1617.01 10317.64 3489.43 1609.01 1298.87 2952.65 4610.6 1073.41 1211.12 15328.25 1978.72 3434.43 5340.12 3015.33 4679.52 5987.92 6144.72 2338.16 2635.21 5216.62 2466.83 1853.98 2107.36 7495.74 4900.23 3818.7 4363.06 5280.89 3108.05 5110.68 3634.62 3828.34 3859.31 3030.91 4473.64 5164.49 3849.03 4933.79 2600.07 4011.34 1361.96 3250.48 4533.16 5135.53 2381.57 2176.42 4913.57 2403.74 2472.71 2814.1 3662.36 1442.74 5150.39 4979.86 2450.43 5585.33 5393.84 5351.61 3631.7 5247.91 2503.49 4173.44 4250.08 4323.63 4157.6 4008.68 4157.43 4098.12 4004.6 4148.96 2942.02 4006.17 19-Norandrosterone 4615.5 1811.02 23242.67 41723.33 293128.03 281972.73 128392.01 2064.68 16081.91 6488.87 24828.82 43246.08 41375 66038.61 11790.44 67540.98 45265.06 3126.93 6362.36 81912.86 8794.27 2605.31 25354.24 43663.82 4571.83 4056.78 28562.33 42429.13 5346.99 44964.3 105924.85 18812.24 17866.14 26618.7 23010.27 36895.96 7404.87 21280.11 17671.34 18891.05 29829.88 31561.78 21815.85 32055.25 39206.99 34223.88 22632.94 34017.2 22455.28 47027.63 19461.62 41268.95 17064.68 86670.55 24129.64 25623.67 32141.43 32183.78 6249.21 25871.81 13186.61 31888.57 17695.86 24709.64 29189.29 20569.64 31049.31 27824.62 32590.75 6660.12 10620.27 12976.93 18545.68 30258.19 16713.29 31024 31146.83 31213.89 31529.13 31023.32 31148.5 31024.71 31153.2 30355.31 Tetrahydrodeoxycorticosterone 14869.66 22227.85 5011.5 5108.64 35817.09 10695.51 2782.97 30060.95 29203.11 2252.6 1137.36 35305.23 357.78 1114.99 36879.79 2147.89 3071.89 19509.78 1917.54 12502.24 33095.02 13978.37 442.3 1532.54 22563.31 12709.73 1511.52 927.36 27236.25 1923.52 11334.54 1680.75 49913.71 1750.09 581.86 17272.09 25582.78 36841.7 2805.16 1310.73 18990.56 21130.67 1702.06 718.9 50677.98 1345.65 23560.22 21371.17 3118.9 1084.03 21807.84 17357.45 974.28 1013.46 47470.21 23287.11 1410.68 1503.14 32650.68 18914.28 1235.18 1805.45 34662.18 1493.34 1180.42 45771.29 58010.51 1129.2 2090.8 34576.85 29432.88 1672.45 378.07 2064.73 1106.93 17791.96 15999.65 17319.9 17123.72 15975.47 17943.99 18001.41 21409.58 12939.43 2-(1h-1,2,4-triazol-5-yl)-1h-isoindole-1,3(2h)-dione 4999.18 14366.81 10625.45 10852.07 11971.21 13756.98 11180.24 5114.54 3778.53 14965.1 4260.54 14433.68 17954.04 10438.19 17780.83 10922.84 12347.79 9499.85 25547.31 3569.48 2819.92 7348.23 11068.44 15115.79 12485.41 10106.79 13844.11 7564.76 14097.57 2130.36 741.59 13818.99 11116.34 8225.26 11396.44 13723.04 6560.21 5938.95 7618.37 11766.02 697.28 4138.35 12297.19 8420.86 7196.32 1562.38 7914.9 19951.93 7343.28 11984.45 3346.92 10058.23 10155.4 10535 8609.54 20379.56 14356.67 14730.69 9010.33 9689.73 15692.35 18707.56 5672.28 8199.89 9483.85 13891.07 3547.79 15469.98 8576.4 4298.61 4494.93 8953.28 5097.47 13853.96 5611.88 9243.74 9138.71 8855.48 9239.87 9137.57 9239.86 9151.9 9239.33 9240.03 Propyrazol 2751.75 2591.55 1966.81 8053.38 10778.67 17089.15 2166.89 962.53 1260.42 680.19 552.74 1107.47 3189.02 1120.45 842.38 1220.68 449.86 1531.09 1387 1277.21 365.25 646.75 513.41 2380.71 1480.77 447.06 550.6 1368.38 2086.47 502.81 1157.85 469.79 1019.2 2790.35 1317.09 856.12 938.35 4282.7 3715.36 2041.39 2745.2 491.22 2240.71 610.41 290.6 3095.73 721.47 538.04 1900.41 388.14 389 720.62 1133.96 1219.85 1817.46 1027.07 722.07 312.81 1251.19 1018.11 1054.88 843.15 720.19 514.88 533.44 1339.31 1939 718.82 1073.2 432.24 577.79 953.83 2983.85 1471.69 1054.02 2138.47 2141.59 2069.85 2023.51 2049.93 1792.97 2042.2 2142.45 2071.57 Minoxidil 7492.61 6095.98 6111.38 5904.68 6192.19 7743 7380.37 6199.7 8540.72 5825.26 5666.75 7003.36 8442.12 3706.63 7264.3 5333.42 4330.32 7761.84 6378.7 8058.94 6215.41 7458.23 3361.94 5598.73 6972.92 7797.25 5446.53 6927.53 7081.02 2493.95 4907.01 9495.29 5205.5 8175.68 7355.52 7423.17 7357.69 6949.22 7099.58 5607.55 6202.46 8065.13 6882.98 5092.06 7780.92 2160.29 4878.02 5886.83 5542.67 6145.47 8524.16 7161.08 5385.26 7357.38 5875.97 5894.83 7575.06 3353.39 5330.64 6286.28 5053.5 4944.97 6178.97 6979.74 5431.25 9096.88 4604.87 5401.28 3552.1 7366.98 6356.01 7018.31 6625.6 8151.26 6206.83 5573.76 6323.58 5552.95 5758.36 5584.96 5700.04 5018.72 5745.81 5781.6 Dihydrotanshinone I 6578.71 4351.43 10296.18 13745.53 7159.51 1541.62 8706.63 8363.82 3657.03 2310.34 9099.06 14048.96 7192.25 8649.04 5447.56 8887.64 7575.55 8154.83 1378.08 2151.54 13099.28 981.09 6794.22 5199.83 9713.43 4109.36 3411.78 9458.44 1826.99 4655.71 7472.62 6225.13 4374.42 14641.32 17174.81 5559.37 10643.22 2915.09 11158.45 11990.73 12223.96 656.35 11403.99 8236.52 5818.52 7527.32 1738.44 4141.75 11217.71 3636.76 11877.06 8097.83 14322.68 18406.09 6456.41 2274.72 10516.03 12723.96 2387.9 6008.35 10681.05 3778.02 17484.73 19218.49 6764.88 11484.4 4234.39 3674.31 7931.58 6906.51 5223.58 6070.24 16597.72 16932.85 17062.75 9091.41 9858.2 9800.64 10573.18 9858.72 9776.97 9686.09 9301.85 6988.62 2S-Amino-4E-pentadecene-1,3R-diol 1745.73 2363.01 1491.77 1511.97 1944.1 2720.04 2032.81 3358.49 480.13 855.34 3947.74 3951.03 4120.98 4051.18 3030.08 2044.48 2823.64 4585.64 3375.34 4116.3 4896.53 2477.93 2067.72 1444.34 1796.14 2862.04 2232.95 2298.02 2266.24 2010.08 5386.47 4641.72 2767.82 2839.42 1890 2436.89 2307.75 3061.91 2460.56 2310.64 3016.47 4542.43 2616.37 2009.1 3236.22 2266.69 2280.05 2821.42 2071.44 6736.86 5113.35 3338.47 3947.87 3618.41 3172.04 3080.81 2265.17 2604.31 2763.6 1611.85 1896.36 1998.78 2486.7 2359.98 3172.91 2827.03 4784.54 2156.7 3409.95 2112.71 2426.51 2233.6 1558.82 2346.99 2363.88 2936.12 3081.05 3129.21 3083.18 3173.06 3315.86 3114.73 3121.21 3179.72 alpha-Tocopherol acetate 1569.72 2849.62 3696.24 3120.18 3385.1 1460.33 673.46 712.74 2152.38 2938.7 1999.29 2168.85 2261.28 2187.9 2611.63 2997.13 2650.32 3312.95 2367.33 3202.53 1498.36 1528.81 1927.69 2042.82 4280.41 1343.4 7151.48 48056.61 3921.81 2357.89 1815.71 723.08 3154.98 2048.46 2839.17 5794.95 3823.84 5672.23 2726.87 4066.93 1822.04 1082.64 2395.87 3785.77 889.94 559.39 3129.01 4359.22 2438.72 2150.59 7110.82 2551.7 5073.13 5280.12 1439.2 5107.75 3904.37 2017.14 4107.24 1238.39 6860.74 11663.32 3635.62 1082.42 3406.22 996.15 788.39 2307.69 3761.98 1850.73 1690.01 3494.87 2216.77 2162.36 1030.33 2575.9 2809.77 2480.08 1771.32 2430.15 2454.79 2808.54 3399.38 2908.41 Zopiclone 20303.43 18353.92 10606.08 8885.28 15598.91 13264.71 13200.57 21005.86 23664.21 13379.07 15353.85 10506.69 10270.7 10777.48 17368.56 20273.48 21945.15 15748.13 11615.21 19971.59 20599.53 7690.49 7548.8 12435.99 18795.37 15853.04 14843.04 14544.05 20006.13 12817.52 20225.33 13043.47 12372.99 8111.04 11731.62 17819.43 26770.28 15248.84 12008.65 21011.9 14077.06 15792.84 11854.51 10789.66 18415.24 8354.19 22600.4 14436.59 10776.28 14540.02 12274.57 15874.1 9784.53 11478.9 16563.46 15496.47 11999.22 9130.59 17163.2 6879.33 10713.48 8114.64 17680 18535.18 17352.34 17484.76 20159.5 15593.29 17630.32 21506.31 20937.27 17340.32 21959.57 14652.15 13940.01 15750.45 16530.65 16156.45 16611.86 16543.06 16155.73 16518.89 16008.08 16511.05 4'-Methoxy-alpha-pyrrolidinopropiophenone 537.93 1459.72 694.3 3227.69 8665.82 4319.01 759.38 5766.12 11913.14 3131.65 1125.91 931.39 440.2 351.98 10783.78 2528.98 944.41 3640.21 3175.8 2152.08 1838.72 748.19 648.4 1160.23 6850.09 8816.62 2277.36 1102.88 2920.4 564.63 890.31 3396.29 8861.46 1626.04 938.82 4017.68 4574.99 609.73 752.64 2130.36 1052.59 372.79 2463.16 449.69 1955.21 1150.14 2223.4 1839.26 1762.29 427.96 2143.32 533.8 1112.02 3068.06 3380.48 3082.14 1484.8 2896.27 3181.74 4378.67 570.03 521.68 3887.34 1921.75 2297.87 3984.53 1610.47 1434.55 503.7 5860.05 7010.79 774.61 1703.35 3152.75 1191.5 3015.29 5177.75 2584.0 2847.18 2962.54 3120.99 3331.23 3099.45 2717.38 3030.65 2225.16 2918.58 3132.31 3802.93 1987.41 2320.12 2955.9 2811.99 3846.23 2947.43 2934.86 2656.63 3343.7 3057.01 3341.49 2723.81 2865.72 2719.17 2921.68 2662.22 2574.16 2668.55 2911.19 2865.63 Valylserine 380361.61 383112.81 481743.33 354382.15 426214.77 163269.28 241800.88 297546.9 451312.05 332376.99 48635.75 147347.57 220087.64 310611.77 287812.53 259865.99 223204.64 281342.5 233992 228970.4 346638.31 99461.79 159445.02 365559.39 478808.77 420804.01 443297.07 439807.62 486016.03 278568.36 292407.73 360374.61 156129.35 426911.55 313890.64 515091.23 358775.49 93273.19 318639.96 249038.07 198650.74 265605.89 354162.31 273284.85 349148.85 185064.45 400973.93 353941.07 169527.76 234788.59 194544.46 248675.24 294531.78 187370.81 232642.18 333274.15 278951.25 239920.3 289626.52 113752.18 249280.78 246660.94 269315.72 256783.59 322471.65 296034.24 247108.97 435218.07 331648.5 408391.63 286101.29 259012.88 114628.5 166954.98 246686.52 286667.27 288662.74 286986.41 286130.76 286664.59 286681.49 282253.53 286049.82 286041.18 Phe-Phe 251.56 267.69 1410.03 201.45 264.28 10013.69 3118.81 109.52 245.74 6294.96 161.21 148.84 208.52 361.46 509.99 128.64 285.52 192.59 282.93 175.02 309.85 5360.26 176.36 320.25 424.22 7768.4 258.29 249.02 325.49 165.34 726.97 230.01 2800.22 1622.11 377.47 328.85 150.86 7305.66 398.97 374.57 307.09 2228.65 187.07 257.19 122.87 306.75 142.88 83.2 265.72 273.39 1407.22 214.19 113.36 417.66 1090.56 874.32 117.1 1370.7 391.93 8443.86 226.3 1436.3 464.11 260.77 94.54 1514.09 430.59 166.19 339.13 121.54 111.37 4384.68 233 402.21 538.05 2155.56 2148.74 2220.51 2237.74 2219.58 2215.3 2166.85 2193.1 1909.16 2-Methylbenzhydrol 3004.84 1431.6 1534.64 627.01 3569.54 2527.55 3996.82 1831.82 3471.85 697.35 3105.96 3735.54 3172.44 3010.29 3345.68 4004.38 1656.93 4023.84 3861.43 6358.09 3095.12 1508.73 2850.65 3026.14 4523.41 2762.15 3148.77 3441.95 3798.04 2487.76 4584.01 5595.02 1866.94 3991.41 625.83 3559.82 632.86 1183.9 3362.6 1816.86 2114.45 5951.46 3066.06 1467.73 4672.22 1970.33 4907.5 2170.42 2728.27 2592.02 2888.61 2606.41 1774.42 3909.33 2171.6 2746.76 1176.83 1511.22 812.5 2037.37 1134.67 1665.65 1300.15 2719.68 1372.68 1335.67 4381.19 1079.47 2192.79 3935.63 1854.45 4062.18 2324.6 1577.81 3036.56 2266.71 2297.82 2288.85 2072.04 2303.62 2169.45 1572.27 2293.65 2362.62 Lithospermic acid 3960.5 3338.15 2800.53 2383.2 7494.93 3079.06 1334.62 10032.37 7856.88 3241.78 4610.09 3215.71 3209.25 2470.45 425.9 4300.35 3474.43 4276.84 3103.11 11194.39 4582.56 1955.65 2355.63 3946.24 4863.26 5076.76 713.08 3158.84 8078.74 2830.1 461.28 535.87 6883.19 4322.01 4532.37 2095.72 7832.91 2943.97 2819.5 6261.03 2661.33 2500.07 3253.82 989.43 3103.2 2120.86 5390.22 2769.7 3393.16 2893.58 8283.53 2842.61 4121.24 7515.75 4480.44 3600.25 2401.84 3535.53 4816.33 750.79 1673.25 1427.57 6805.33 9020.42 2784.28 7305.26 3303.6 938.33 3106.2 6039.76 6346.27 1557.19 8183.26 7889.61 1262.27 4135.3 4170.28 4169.9 3972.4 4127.74 4155.33 3825.76 4105.52 4060.31 Leu-Gly-Gly 33030.81 69632.78 123649.54 142807.46 79167.74 86220.67 131737.04 58692.28 70036.78 83690.14 99421.96 77172.49 113748.22 98481.2 65041.98 153748.33 96991.91 52758.18 197410.57 77765.83 64383.22 34740.78 83429.07 120528.97 52979.93 82259.91 108263.79 128598.36 81358.2 67868.49 60390.09 150800.94 42906.07 124059.43 143590.48 42095.22 59215.4 73006.95 103746.37 112579.72 74505.38 65670.91 163579.26 104497.04 62091.65 134172.62 58218.73 180716.99 90339.07 184022.07 41795.11 55670.64 179256.42 207174.1 40008.44 69739.59 101344.11 69500.65 51193.38 51664.8 84972.74 71912.91 54888.16 164975.45 123641.9 66580.51 70608.16 92960.83 99628.08 47408.75 65537.02 98439.33 148664.73 140464.8 138363.32 98386.85 98390.03 97501.58 101838 97493.46 98400.85 97498.43 97496.42 94391.73 O-Desmethyltramadol 15114.45 17362.59 11371.69 12563.66 23276.98 29203.79 18070.87 20391.44 22219.59 14936.56 10442.34 11742.97 16360.41 11463.18 16728.39 14308.78 9867.42 16079.22 15898.63 22198 17962.06 11948.36 10133.48 14065.24 19314.17 21214.44 5325.93 14512.77 23574.87 7919.55 21175.69 19972.69 10889.75 14324.25 13389.67 21438.05 16473.14 17888.78 12705.45 11309.45 22984.93 27405.28 13911.83 10883.94 20387.5 13369.69 21120.41 13793.04 14665.09 19812.55 12513.06 16127.47 13655.88 16013.6 11816.68 15981.72 8164.88 6737.04 15008.33 13755.25 9025.91 9367.98 13717.21 13196.02 10404.37 19787.35 21145.47 11596.61 12181.36 16595.62 18380.2 16196.38 10860.88 14222.81 14542.06 16354.73 16335.51 16273.1 16499.36 16356.3 16333.45 15967.39 16329.93 16264.36 Crotamiton 1464.85 2931.55 476.87 1044.25 2540.8 2048.29 1147.95 2888.49 1797.29 1776.97 718.29 1855.1 3479.07 1296.18 4584.28 2620.27 1055.48 4207.97 2559.25 2918.48 3369.42 740.37 553.98 2069.16 1998.74 1648.97 2086.48 750.23 2915.37 554.4 3880.41 3263.32 693.82 1020.68 1384.67 3176.39 2117.63 1289.02 975.15 1933.14 4658.57 4613.08 994.98 899.44 2219.66 938.22 4586.9 2748.92 1241.52 3061.48 783.9 837.34 651.91 1520.74 4150.87 2948.6 1124.19 1483.43 2358.93 561.88 1559.78 858.13 2110.85 1186.07 1011.47 3622.57 1587.96 1011.17 3022.96 3133.97 907.9 2639.27 724.2 1318.32 1704.71 3147.69 2920.1 3128.92 3118.44 3009.2 3125.7 3349.27 3036.08 3219.17 3237.5 2885.67 3134.77 3157.93 3212.09 3232.19 2843.85 3253.25 3351.8 3018.92 3030.39 3144.61 3141.69 3108.3 3147.89 3013.64 2034.62 2039.58 2035.47 2084.2 2100.55 2034.55 2081.6 2151.53 2038.94 (2-Chlorophenyl)(phenyl)methanol 7183.99 9570.12 7749.01 9540.77 8817.55 6019.77 8274.35 8213.46 8142.48 8852.56 7288.85 6451.05 6496.17 8828.29 9156.46 8949.39 8480.7 6881.94 7807.52 9107.29 7877.29 5742.56 6545.77 9682.21 8362.98 8707.74 8824.38 7475.25 8772.45 9135.65 7269.89 8455.44 6699.19 7771.13 8591.6 7019.63 9532.27 4632.29 8174.66 7942.98 8709.7 9395.84 9138.26 8565.87 8270.9 7109.51 9128 7900.54 7849.36 8736.42 9235.64 6505.47 7565.99 8269.64 8572.82 8462.32 7698.61 8744.38 8301.79 9448.95 7798.68 8942.54 8929.91 8926.62 6044.06 7778.29 8723.47 8860.51 8590.75 9413.76 9001.82 7954.34 8609.84 7772.25 9371.9 2476.17 1008.76 2563.66 2605.04 1564.96 2095.94 1694.14 2055.72 2644.25 2293.14 1138.26 2092.35 2391.23 2274.91 2104.84 1724.36 2006.44 2249.78 2823.4 4089.78 2325.84 1818.23 2835.8 2184.93 2470.35 8460.18 8359.06 8447.61 7952.18 8467.46 8459.95 8342.55 8341.65 8465.36 5-Bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid 37244.9 142058.35 86026.45 28534.78 31667.8 16624.84 12485.43 23100.74 16503.43 45298.31 1766.63 32499.9 130307.33 28616.89 13220.84 7499.71 11780.58 17833.31 39797.83 9419.57 48513.36 2115.67 21030.95 46214.67 55232.93 18282.87 48606.73 47545.03 40493.47 93878.1 32113.58 22583.43 3380.59 70230.22 12047.62 116429.2 18619.71 9233.07 71744.12 277198.17 59507.86 18200.73 16152 19750.49 17704.11 19594.82 12841.97 34698.49 54205.28 10045.16 18181.93 21038.23 32663.66 12059.69 96953.32 22887.95 49865.03 21877.4 11552.67 11782.1 41716.72 118158.3 9747.09 5978.44 4962.08 36347.63 41707.15 96196.86 214258.78 15914.37 2746.71 13665.8 9770.87 13978.19 9400.39 97896.58 85955.99 95050.96 95979.72 92094.93 92638.07 96454.95 94951.89 88499.88 91541.4 84256.4 91495.2 85870.04 88038.46 92863.88 77218.14 96952.58 90491.23 93358.88 78747.01 89485.29 86275.46 87120.77 86327.01 88309.32 18498.87 17836.19 18335.47 18499.03 18501.91 18335.65 18335.58 18505.15 18402.24 Tomelukast 66381.72 80558.92 2537.92 5419.59 91483.11 76728.9 54149.48 90807.83 105071.55 41574.92 12966.86 18976.98 6980.99 41456.61 73971.35 47119.15 7870.68 76461.03 138896.79 128994.55 99131.64 61089.55 11550.08 2876.1 80328.48 95948.47 16089.74 33739.35 79502.01 6634.9 94332.03 2211.46 52800.04 33587.75 26716.87 77843.21 77238.7 91830.38 13982.46 18957.51 136971.61 113310.55 18206.21 17521.99 103330.09 33454.33 81139.43 50290.85 23086.03 50306.52 64921.29 66495.9 43777.29 78232.59 43554.31 89129.14 12803.97 11075.38 75144.07 72592.74 14112.59 5797.81 50653.67 61510.51 16894.26 97721.44 115597.32 13113.17 21478.21 79274.93 88856.99 40693.64 23871.63 28224.67 21351.05 55595.65 55554.88 48354.2 52208.83 52212.1 52166.64 63367.76 25242.74 53720.95 F-amidine 19433.68 55047.26 18641.15 26860.45 20547.48 47667.93 2254.1 14170.61 32313.45 14068.92 10785.19 12080.64 15043.32 14407.63 37878.98 17535.51 12622.5 19981.09 51220.46 52636.95 3721.65 31252.31 28139.54 2694.42 2337.38 20791 11411.54 18798.68 20792.36 7031.88 5392.83 20713.26 21501.06 27163.21 31442.7 23615.06 27085.76 10937.24 11436.9 17445.26 16512.66 2292.88 52103.55 14498.92 8625.49 2053.45 82713.91 62043.53 20712.52 9828.89 13082.48 54641.89 37803.53 15532.9 3491.13 39986.25 14459.73 15340.22 14400.87 8527.25 1127.18 34085.22 28544.01 35960.54 31129.34 2902.68 50530.79 1480.67 3599.44 13385.05 32496.84 5295.17 24555.77 54926.78 4276.89 16898.48 16077.73 15909.82 14432.67 16060.04 16869.61 16876.88 15944.72 15074.37 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one 867.7 3355.11 1625.16 680.66 3496.88 923.09 2454.3 6142.9 1794.25 8904.04 5652.95 11224.67 3315.22 8011.87 1589.12 2270.38 664.39 772.05 10826.34 3067.05 4084.83 1024.33 2441.65 4856.31 2386.56 4900.74 2324.93 12999.89 2978.86 10931.27 4931.01 5481.37 2117.94 4447.99 1803.19 3984.36 5925.34 2162.41 11947.76 14054.88 2437.7 4670.95 6967.43 7800.55 2591.31 2148.98 3220.64 8371.28 6590.15 5891.57 2791.4 2675.54 8625.66 761.62 2628.89 950.99 4306.04 5626.19 5263.43 3871.66 5957.49 4457.39 831.1 7746.35 7009.24 1541.55 6551.76 14247.82 9977.55 2291.91 1759.92 16343.75 15346.93 2592.51 2162.14 3963.52 3586.79 3540.37 3644.32 4265.96 4005.99 3776.17 3899.84 3763.74 8-[(1r,2r,5r)-2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid 75127.23 107891.42 101028.91 109469.03 105898.7 192682.73 51772.86 86863.49 53899.74 74399.43 82673.55 78375.41 109111.69 126131.86 104778.05 78880.45 109675.17 184121.79 82661 134249.85 133315.44 74149.12 58502.95 72800.9 71415.05 108572.93 60542.73 75806.68 85773.58 123578.33 249910.11 177096.4 63656.92 128395.55 72340.57 108157.94 98567.28 189834.03 147771.4 108192.82 190840.37 171926.5 142420.14 120073.57 145769.86 118156.36 117633.57 147213.47 134972.3 159883.44 109981.35 105948.96 85912.75 74912.56 64398.23 78980.52 74795.25 66654.61 62443.42 91983.47 79625.88 95346.81 77800.16 83826.12 120627.2 109241.78 191543.82 123326.35 101277.41 64199.36 132349.04 99965.42 134895.31 180679.23 129978.74 87648.13 93622.3 92338.91 92553.66 92816.26 93603.43 93610.68 93623.65 92590.71 Ruscogenin 58786.55 2160.83 801.8 1732.79 101641.84 680.77 10245.67 70197.29 56266.02 9494.38 543.63 35701.1 17858.39 664.07 647.61 3018.72 11103.82 60407.83 43610.49 1334.65 54831.64 44707.7 40215.75 1505.23 71859.1 43575.74 23430.41 1387.61 1458.2 23153.53 46699.84 100120.66 34265.07 15407.89 9741.97 56798.51 37983.68 29238.84 10300.88 690.65 15311.39 66488.04 18687.33 5633.42 74146.49 14679.95 55610.44 22785.3 22437.79 20881.01 73326.86 26390.05 8830.72 14842.16 38095.15 34303.21 12032.02 8504.12 53578.31 29169.18 5339.36 16297.81 45629.97 12295.19 5675.84 48075.3 53769.43 15603.76 13280.13 51801.98 59076 14208.09 14249.61 8522.83 15125.87 34494.3 30450.28 29210.9 30764.02 30877.03 29232.74 29375.32 31964.7 28871.55 Djenkolic acid 54060.56 205372.7 150469.69 59156.42 35788.54 16949.05 53454.04 28631.6 52548.16 29468.29 37743.47 27244.24 189988.01 14524.59 25864.17 30808.92 49212.97 38812.63 15842.87 8297.62 31068.73 13543.08 5032.42 27463.48 37116.6 39775.13 76532.46 40004.07 15518.18 200982.73 21775.4 26698.8 16258.54 146709.23 64411.06 25445.67 37539.26 44610.2 184400.85 315701.39 174903.45 16370.19 42425.52 11364.99 20000.36 59205.5 33975.6 21022.64 18822.8 19205.32 31662.45 20393.08 69515.03 84542.54 146349.24 8088.46 129669.59 81114.16 33443.86 59176.34 9281.48 204376.26 30135.9 144507.09 73960.82 39715.62 123279.6 147469.94 248644.24 33107.22 31567.31 21811.93 85476.46 140285.12 36433.94 36692.81 37131.1 36541.05 36899.45 37223.23 37324.2 37187.08 37187.07 36671.74 Ethyl arachidonate 1332.52 6634.51 1542.61 8683.8 12742.83 35056.58 16939.62 103658.65 43692.7 5131.72 4860.79 6518.83 29073.43 2028.53 4794.08 77158.06 23012.88 36234.08 35815.33 3222.82 89843.97 1483.41 24188.33 5049.87 58536.83 2927.47 1155.64 2586.48 69561.73 43520.12 2368.98 3383.84 1831.51 39083.99 28127.09 68948.35 37807.59 9801.27 18234.76 8868.83 4925.66 254389.67 38589.77 6135.44 49966.53 9468.69 52871.29 36076.18 69298.02 64969.59 233410.79 21265.32 68919.23 34596.83 60793.91 9374.15 21695.21 7708.67 65133.71 3830.84 50717.71 21593.03 54812.62 89290.82 41711.81 25388.87 3354.67 9620.07 7660.52 66352.26 7413.17 17069.1 26067.5 19264.71 10272.23 27801.18 27827.03 27885.4 24585.19 30338.29 27673.26 28763.83 28774.4 28815.58 Labetalol 3693.17 3598.19 5242.15 5265.72 6839.99 6783.2 6218.56 6669.99 7462.85 6239.11 5761.64 6912.85 2842.29 7615.89 1506.4 4917.84 6614.92 1116.94 3617.13 1956.51 7492.88 3668.91 4723.88 6992.54 6344.42 3194.66 8080.93 4431.81 4867.3 9019.15 1564.48 7945.06 5171.17 4870.15 6792.21 4507.63 6379.53 3103.96 4220.33 1963.31 6523.6 13745.06 6332.94 5294.38 4356.73 5947.96 1033.53 5423.5 2275.04 8114.94 2499.01 1226.74 9602.76 3761.88 9156.05 3370.46 4151.93 1335.31 7216.88 1049.2 5678.91 7020.21 2952.73 6367.14 4873.02 9302.02 3125.41 1204.55 6707.36 8809.22 4717.38 8123.71 6628.36 3814.08 7908.84 7510.85 7562.75 7227.14 6778.11 7263.46 6904.13 7389.75 7542.7 7510.31 11alpha-Hydroxytestosterone 3013.11 2270.28 1131.46 887.73 1876.65 3237.45 1018.11 4273.76 2040.06 1130.42 1078.66 1299.8 1206.21 1219.06 2288.21 656.32 953.28 2541.95 978.91 4952.95 4358.17 1820.9 527.03 636.08 3064.14 2701.19 1219.94 1306.07 3260.03 983.56 2646.55 1879.22 1074.26 988.06 1017.16 1795.37 2236.25 2812.42 1123.31 927.86 3493.26 4429.87 1015.46 712.35 1430.82 463.22 2285.33 1318.96 1081.59 1393.64 1685.68 2681.16 573.61 1614.1 868.43 353.4 731.66 671.79 1706.23 972.09 452.28 803.91 553.3 493.75 992.21 1791.59 2209.92 875.84 724.62 1099.41 1430.62 1372.53 637.45 748.92 1412.03 1595.63 1501.97 1529.09 1522.54 1309.75 1520.65 1742.25 1580.12 1602.72 L-NIL dihydrochloride 8087.63 8183.61 8006.93 5796.03 6096.28 8911.54 1039.54 2392.64 9064.72 7325.53 1819.42 2882.46 3409.12 5978.6 5748.29 3530.59 6444.36 7066.53 8025.11 8460.78 3642.89 4283.36 4369.52 6485.27 5464.4 6466.54 5965.02 8432.77 6924.59 6647.59 8502.31 6406.67 8501.99 5296.56 5537.5 5978.75 8037.96 5197.47 5717.23 4570.42 6197.96 2998.63 5355.62 6095.75 6300.51 4894.43 4350.38 5694.92 11845.45 6483.23 5082.07 3654.4 4254.27 7205.25 3482.83 4471.41 6018.15 3612.82 3607.03 7081.5 5930.77 2640.29 4428.92 4207.36 5652.39 4228.51 7227.15 4715.01 6621.58 8707 4094.98 7416.95 11322.75 6948.55 2907.37 6011.95 3084.81 5836 5934.12 5300.97 5439.53 5865.4 5786.22 5348.66 N-Acetylneuraminic acid 4329.57 3819.01 2745.74 13857.5 13868.53 3343.57 19498.24 5792.38 12800.5 3511.2 8546.26 11414.81 1672.33 5312.28 2133.15 15214.78 2905.07 5254.84 6386.04 8716.89 19467.69 1451.42 2138.45 7955.95 7205.45 3990.22 3005.02 9296.92 3040.9 5652.35 7493.82 13644.82 1148.09 10241.94 8963.28 655.43 10393.79 5305.37 5406.35 7778.17 4024.2 4343 5179.02 3195.49 8308.59 16294.93 12570.61 2959.57 795.06 2950.3 8657.06 4454.33 10407.52 20021.43 9056.49 1665.61 1230.55 1524.77 9909.3 15692.96 1765.31 4569.59 7988.98 9426.98 4412.76 14066.03 15682.54 8618.65 14703.28 12135.54 5603.23 4207.26 8613.13 10913.78 13894.7 7978.23 8189.74 7983.8 7863.23 8476.9 8349.32 8399.91 8818.68 8369.9 2-(9h-Carbazol-9-yl)benzoic acid 4408.66 5239.86 1269.88 1379.13 4754.56 1377.95 1211.72 1069.75 9848.52 2394.76 1666.47 1564.53 840.41 1202.32 2382.98 2073.09 691.37 3576.72 1368.84 3674.26 4069.69 1054.37 629.3 1818.18 5028.42 1262.49 2920.13 2155.52 5250.36 2089.25 4013.21 4027.43 1098.42 2397.43 2330.8 696.66 5869.35 3466.79 885.7 1117.05 2117.73 7642.27 1858.98 2338.85 6301.71 445.85 3723.44 2222.85 3107.67 4037.12 2697.77 3370.64 411.5 1979.83 3005.24 4333.99 851.73 968.9 5364.87 2672.94 1026.32 511.57 793.14 432.58 1149.2 4196.78 8839.76 626.67 2912.97 3043.78 1684.66 1308.13 378.11 629.21 1796.11 3383.63 3528.06 2687.61 3346.65 3485.79 3349.93 3487.61 3361.02 3466.45 L-Tyrosine ethyl ester 2060.89 16333.72 21906.51 22945.93 48658.47 2611.99 19779.19 17780.2 15439.82 20370.93 16310.6 13944.8 22455.55 20149.42 9209.13 20673.73 18912.58 1801.35 24869.74 17288.36 40998.83 766.13 14936.31 25024.38 770.59 19333.9 21078.56 22609.81 12572.97 19036.62 11135.04 68512.8 26942.42 22714.41 25145.48 28480.94 31561.13 18970.96 40811.36 24673.23 15776.98 6265.27 23503.98 23075.66 9625.46 22065.05 18161.04 22495.63 48633.49 31069.15 14960.17 16236.04 26043.49 29968.68 736.99 16856.35 18946.82 20700.75 13234 29290.92 17709.52 16527.9 15010.78 27117.01 19182.16 12367.92 3113.55 24352.7 18848.04 23697.62 23200.4 17867.64 20462.27 24187.87 24523.73 14930.23 15296.51 13082.57 14882.75 14785.95 13947.96 14865.07 3330.18 13828.63 Methylprednisolone 548.9 1016.26 891.16 5748.67 3159.93 1654.39 37265.89 2220.2 652.61 2790.58 1800.61 643.78 4317.98 786.37 2499.86 2396.92 1923.06 3279.96 4745.08 1512.99 3629.98 2194.62 3741.63 889.51 1558.62 760.78 731 2419.62 2486.71 706.71 699.35 5672.98 1247.26 478.8 2853.1 3126.75 1513.85 2300.96 2408.02 2533.09 2184.2 3041.6 1957.89 580.19 1345.75 3915.57 1511.5 985.9 3028.99 2842.32 1714.06 2018.69 1322.05 1455.32 1302.19 1318.78 1740.92 2801 2730.07 1797 1032.47 3324.85 2657.47 2574.01 648.53 1724.46 514.43 1754.11 1457.07 3338.86 2431.78 1331.15 798.15 762.52 1760.88 2264.67 2046.77 2485.27 2006.09 2394.26 2318.31 1979.67 1968.67 2284.01 Dexamethasone phosphate 1482.55 2117.59 5007.12 2373.35 2771.43 1046.05 3235.71 4249.98 1987.47 735.2 1801.58 430.95 1243.12 596.64 988.53 3056.68 3525.61 844.36 8087.17 9282.76 805.93 2561.55 506.04 1767.75 410.91 3057.97 422.33 1388.86 1467.79 926.76 901.58 2423.69 3017.49 1303.29 1021.63 5261.03 2492.07 603.47 1485.37 1376.36 2612.24 3061.17 6202.97 3426.66 1848.34 1749.52 2094.93 3294.56 4932.83 3684.37 1497.15 2025.13 2583.75 3517.08 833.29 2296.52 4237.2 3350.31 2500.49 3097.15 2841.14 764 4554.82 5834.46 2382.16 2702.97 3847.12 1037.9 1187.26 2323.18 1130.32 764.82 1784.31 2586.31 3994.3 1841.48 1582.81 3546.18 4741.96 1204.03 7619.4 7599.0 2916.1 3104.9 2736.65 8967.56 2259.12 8378.86 2194.7 10206.12 4807.02 4927.14 8697.06 2986.97 3024.15 3756.79 4147.71 6784.73 5302.43 2765.77 2497.37 2503.5 2634.82 2604.73 2614.34 2473.73 2605.21 2324.07 2'-Deoxyguanosine-5'-diphosphate 34181.68 31480.13 39961.21 33259.93 36213.08 16097.76 28125.56 50680.16 38670.56 31138.62 9993.31 28518.86 36731.42 34997.9 33913.72 30823.33 27640.23 34204.34 43648.74 33602.21 39538.7 19462.9 30980.56 34912.49 39054.24 36549.06 43181.8 40239 42924.22 22313.09 26482.12 34559.57 31939.51 40880.02 31777.33 46104.61 32366.36 10028.67 31130.38 24118.91 21407.55 25838.32 32692.17 26596.98 36645.93 17783.53 36645.14 34528.4 16915.13 23675.16 23360.71 25154.87 29094.91 18163.05 21658.05 28857.98 24972.7 24016.14 29876.92 11802.29 27155.76 23725.42 24456.81 28633.05 31392.79 25886.25 25136.1 37931.08 26140.87 35605.62 27278.29 23916.07 12818.45 18152.52 22650.74 27639.97 27394.56 27418.27 27400.53 27648.32 27639.75 27269.37 27477.24 27406.99 1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one hydrochloride 1675.82 1241.86 1534.72 12296.62 20297.97 34961.72 24120.6 431.84 198.31 1120.63 1134.61 1034.31 7736.63 1370.53 2319.87 2252.54 724.42 435.6 2032.76 805.78 228.33 16902.9 1490.43 1745.3 690.87 611.48 1410.21 1343.92 514.21 608.44 542.61 719.87 1014.45 1566.01 1497.71 13418.09 1877.98 1786.21 1467.19 2007.6 20143.93 3611.66 1509.82 1269.21 1544.51 19228.37 2281.55 5150.02 188.03 1468.94 1213.09 935.51 780.97 2633.54 2342.12 1685.23 1416.89 1763.9 580.04 2256.67 1390.54 2896.35 954.48 1469.1 2478.57 2402.26 1346.76 1315.33 1592.24 2156.42 160.19 1204.69 1115.25 3360.3 3876.51 4335.36 3086.82 6667.03 5039.94 4418.02 4879.25 4687.43 4974.94 3921.24 Pipamperone 1119.73 756.82 905 614.05 920.75 1393.51 1429.69 2049.84 890.39 2418.39 1523.46 1236.54 1527.99 813.91 3811.98 1236.14 1286.87 1465.8 2433.23 2367.33 2278.57 4704.16 1305.89 1894.58 3055.74 1271.97 898.71 1094.5 2643.77 1999.17 757.51 2313.36 3883.67 1450.77 2131.16 1983.21 1429.49 4116.85 2979.01 1278.94 1540.15 2900.15 1641.03 1457.27 2392.78 5220.61 1954.63 3637.65 940.38 777.41 3431.14 459.71 1117.14 2127.09 1900.46 2936.14 462.42 1318.07 812.28 1254.69 1553.31 1168.88 922.01 1946.7 4093.8 2110.58 2142.12 1187.24 1200.15 1618.63 1075.38 3084.74 571.25 1064.42 1429.68 1734.17 1681.69 1768.54 1632.48 1689.69 1523.69 988.23 1529.37 1586.39 Pyrantel 28636.58 12520.44 17602.42 21984.92 21352.29 21404.18 27878.11 19149.32 17751.66 21079.32 26547.77 25076.44 22551.24 22311.75 16089.85 29143.19 18777.89 14773.24 29568.04 18334.34 16022.23 10764.78 19763.02 24417.6 17160.53 16671.92 26385.84 30405.18 18930.01 20270.77 15805.29 34737.45 10260.42 25348.01 23523.12 17495.76 15696.21 13099.45 24713.78 21436.85 18640.49 45229.07 27012.57 21276.64 18074.83 22796.65 14738.69 22162.79 22786.02 35007.88 19316.83 14891.41 24345.22 28514.43 14483.33 13052.28 13621.69 17157.99 13578.92 10579.01 17925.77 17000.94 13777.87 20255.2 19398.6 18512.57 17250.43 22082.34 22096.71 16658.77 13707.32 21999.76 20525.52 26267.6 24811.77 20126.41 19625.25 20229.54 20048.69 19966.97 20126.66 19965.66 20130.89 19993.38 Methyl ricinoleate 449.27 10735.12 5179.8 22967.39 15667.13 2025.32 5370.67 1621.87 2406.18 1347.6 3267.45 3833.52 4206.86 6375.58 5303.71 5553.46 27810.6 1362.67 499.69 813.18 4862.84 9229.42 10112.64 19261.76 3275.23 480.03 4030.75 6628.96 8145.95 1147.59 1487.26 529.72 3120.08 1215.42 1492.87 1406.08 3815.93 1084.32 1370.95 3843.84 2404.83 3125.63 6377.41 9524.23 5121.59 7075.55 1846.71 6032.9 828.86 292.03 2000.06 5719.01 3338.45 3510.75 8630.44 8080.97 5417.52 14671.37 2359.07 5579.31 55558.51 10823.56 6838.14 2665.8 3871.67 9029.91 3002.1 4347.69 8812.44 2613.83 836.22 2017.21 3065.57 5384.03 6688.23 7942.05 7977.39 8048.81 7974.05 7831.17 7867.79 7836.99 7882.14 7554.96 Erucic acid 34024.74 1436.02 31840.81 37911.8 2520.72 30119.11 34257.2 33204.41 26104.51 38832.78 21811.66 18338.52 24012.19 38200.66 36622.15 36398.35 40682.53 33446.21 37652.64 34632.25 28508.5 30042.29 25695.99 34870.96 34801.33 34489.19 35048.51 40264.76 3139.46 39491.13 1682.31 32540.37 937.91 31884.04 33230.31 37311.45 31216.87 34958.7 34935.86 44115.62 19975.18 34170.62 40658.65 37318.69 32068.63 34932.86 35137.14 34631.21 25148.26 19081.24 31494.69 32318.9 30079.69 34598.55 42170.2 37479.42 36980.71 34530.52 37057.8 34558.58 39195.64 33583.59 34284.37 32679.9 24171.29 32454.15 32583.49 31517.88 37826.19 32001.48 28419.11 26895.32 28795.85 25884.65 34860.51 20520.19 14620.52 17098.82 14796.76 16440.39 15490.79 17987.9 17082.26 16370.54 16536.18 16544.74 17645.96 19628.14 18758.62 17646.44 14945.39 19667.87 18739.93 17518.05 17204.09 17174.87 17724.31 16306.35 12933.58 18263.25 37882.12 37917.24 37995.51 37883.95 37880.46 38062.73 37885.73 38135.01 37880.4 Benzthiazuron 426.62 368.16 2589.93 1690.78 199.29 6858.16 1445.88 172.8 217.3 73.24 101.89 120.39 177.71 172.35 617.12 369.37 659.31 388.17 297.26 486.03 221.15 4429.04 73.13 463.99 133.26 112.67 141.12 103.66 259.37 552.92 534.64 140.1 283.4 3539.74 303.3 263.24 141.61 6621.56 91.35 266.74 341.28 615.26 95.46 460.13 282.14 1380.39 206.06 497.35 161.95 177.26 594.8 957.78 158.81 265.06 583.04 255.66 4143.97 4150.9 75.96 5541.11 675.32 673.1 327.04 628.72 349.25 738.67 350.27 292.2 135.97 132.08 231.68 223.62 514.98 1228.47 1169.02 2725.4 2720.17 2698.77 2721.12 2698.48 2699.01 2698.57 2730.58 2697.48 PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 9520.89 1324.56 334.89 392.28 1596.89 575.03 521.94 686.63 1046.69 1045.9 7293.79 1130.6 11419.23 2425.32 10005.45 530.44 323.39 5932.41 1699.3 2635.34 2055.93 606.81 591.07 8960.5 10639.2 1054.67 445.99 409.78 3514.32 1643.36 2881.83 1700.47 2203.35 3003 1180.92 3186.58 1083.45 953.63 1624.52 1730.04 4491.66 5093.68 1662.62 1225.14 5725.44 1887.05 3232.21 2753.05 2373.18 8368.38 1588.77 937.78 1347.4 2023.34 1684.03 4405.57 732.94 393.56 1655.52 430.54 1380.94 765.2 2074.54 1448.8 1165.95 2486.01 1988.95 1221.99 1903.64 1394.09 1982.95 1749.73 1835.39 2017.22 1623.21 2824.99 2771.82 2826.16 2813.44 2696.54 2885.39 2843.12 2672.97 2527.03 Crotetamide 3793.1 443.14 3200.66 3493.17 5725.35 3325 4192.16 4126.19 2526.61 3275.3 677.78 3113.29 8419.18 8908.76 1605.12 1616.51 665.54 6201.82 2796.96 1537.4 2053.2 3061.11 1498.93 5015.54 2567.53 1111.51 711.06 4535.04 4657.2 1595.28 631.32 1339.34 1923.66 7012.92 2509.79 4911.06 3338.92 2521.77 7375.57 3776.82 430.97 3004.24 4763.3 4947.55 595.02 2966.42 622.51 11505.32 920.98 4114.85 3068.35 5147.14 11069.6 4299.11 9124.72 2879.96 9207.71 3052.05 838.42 610.31 4050.03 2669.34 2639.45 4847.39 527.24 9429.6 1581.89 7843.94 3167.35 1942.42 491.14 3029.25 6505.26 5030.34 3327.86 19017.6 19437.45 21331.82 17608.27 20332.03 33320.12 32420.44 34724.48 21596.86 23055.35 20976.03 21210.55 20436.12 20171.36 36819.0 15697.94 22359.09 31697.29 20321.25 22505.07 19375.6 21377.38 19321.62 22219.35 20400.68 4012.18 3999.07 3998.38 4014.76 4022.03 4022.28 4021.95 4022.21 4119.2 3,4,5-Trimethoxybenzoic Acid 9819.77 4599.42 8413.84 5417.89 8583.19 418.55 2302.47 11101.08 6191.02 5210.85 10370.17 6805.82 15607.92 9751.36 8394.97 5051.07 8541.3 10564.15 2797.17 3843.83 4922.47 1307.73 3222.04 5288.4 5682.1 6056.86 3919.79 5614.23 4423.15 641.31 2058.56 1940.08 4893.22 22627.07 28710.82 1508.84 11987.82 3216.43 3916.32 8635.3 3368.9 5548.36 3135.23 8271.03 6362.67 12407.26 5136.52 950.31 1283.8 5435.03 1215.91 2697.48 10565.29 14309.9 13296.96 4830.83 12087.82 4146.09 5985.45 1527.98 11281.01 2314.93 34029.62 10287.67 9635.35 10811.59 2207.19 3920.57 12669.61 8498.11 5904.16 1441.04 14265.56 5644.86 7137.94 7430.21 7437.48 7375.35 7407.7 7117.77 7408.25 7402.29 7363.67 7365.76 Glu-Tyr-Glu 7829.13 13325.72 4014.62 7126.68 13509.28 10665.6 11115.93 8247.08 8622.74 1823.06 9194.08 10231.2 6474.12 905.29 14763.9 11661.89 2484.22 10815.26 1708.78 13104.85 19055.73 10521.04 4371.42 10725.06 11625.1 6328.56 834.51 1733.91 7204.58 4046.16 8783.69 15937.18 10777.7 421.21 1967.43 11771.4 6869.23 9265.46 2625.05 3309.77 9964.56 10925.63 6594.49 7404.23 7836.3 4761.38 17728.56 4260 4328.2 11289.74 1538.06 12829.33 6729.15 5122.44 1191.61 4557.32 699.21 4172.6 8681.98 5880.52 3961.16 2302.59 12987.96 5190.22 2874.12 9079.16 8003.25 3741.79 4975.2 18258.96 4187.03 528.27 3626.07 3366.71 3939.34 9905.56 9110.06 9306.2 9842.79 9961.39 9843.9 9057.76 9522.21 9762.31 Isouron 3055.38 3342 2498.43 863.12 5519.84 2021.12 3479.32 4094.48 5632.41 3568.06 2988.57 2725.61 3067.92 993.87 3251.26 651.9 669.66 596.92 1164.84 2853.71 4439.85 2169.12 1844.17 2715.08 3225.73 3827.66 2827.47 2780.98 1684.96 903.24 4156.2 1831.26 2442.74 4052.03 2472.71 4252.1 3157.32 2749.82 3737.1 3441 3855.11 3552.76 1529.82 3581.34 4200.26 3703.62 2809.75 4211.3 1347.22 3912.31 2734 3756.41 3725.52 3141.07 2210.47 2789.73 676.58 826.4 4422.6 608.45 913.19 3454.73 757.34 3227.39 2947.65 1600.45 718.58 2875.21 2908.49 3961.03 5442.02 2733.62 2773.24 2601 3080.01 2872.06 2668.41 2660.17 2988.95 2871.51 2547.15 2681.7 3023.75 2780.98 Disogluside 25655.63 18553.61 12327 46500.91 18311.58 24696 23650.22 21700.17 28792.18 17327.38 11030.41 17699.85 13990.06 15358.34 17698.99 20796.98 7418.18 15732.84 13681.13 19541.48 19734.28 14642.88 16687.22 23756.93 24983.19 32279.32 27197.92 35577.91 16289.65 9824.26 27351.89 19074.69 12474.65 30810.02 23096.11 14965.98 17468.98 35683.07 22712.45 5916.47 9304.65 11755.97 15929.13 14243.93 7929.81 16334.31 5531 13236.23 3967.8 20743.76 3939.98 16358.85 9418.39 28173.54 942.76 11210.11 1571.43 6367.99 6682.05 21825.9 4159.64 2032.86 4470.04 1105.66 15864.48 16755.87 22377.38 12985.96 19387.28 37293.65 30238.44 33380.62 9368.95 19477.32 3829.36 1103.37 989.17 2058.21 739.29 2832.79 1783.81 1407.05 1335.72 1266.44 937.66 677.76 1328.91 1419.89 2348.99 670.4 1798.04 1164.9 1200.11 1129.6 1795.29 1450.66 1244.17 1459.52 753.25 14046.98 10927.23 14271.14 13042.94 15059.08 10338.44 14808.29 12874.92 13623.56 4-oxo 2-Nonenal-d3 11912.04 3009.61 3103.1 23581.52 148718.36 25299.11 13774.31 25863.46 26390.53 11901.77 5215.24 6431.22 51068.84 6722.2 4597.06 8306.87 8258.71 9506.12 7354.78 6102.93 22151.92 3278.28 6625.36 4465.58 17212.32 5316.56 27591.72 7488.92 9635.04 10258.35 7569.2 17663.96 3303.04 20888.99 5687.49 7954.9 10366.37 6541.77 5874.87 3022.38 16721.51 19618.65 3960.05 8657.14 10554.55 19841.08 4701.96 3762.39 22807.58 36312.95 22206.6 8301.67 5082.12 11705.38 26788.39 6945.92 3360.31 2621.96 8697.57 6535.13 4101.16 4436.77 8937.52 5482.02 1775.16 18934.31 7021.69 4580.08 4257.16 10789.22 9781.02 6689.27 10852.67 8578.32 11142.64 13121.31 13163.19 13162.86 13162.92 13147.6 13083.76 13123.97 13158.42 13163.14 Prostaglandin E2 isopropyl ester 14282.01 5741.8 3926.59 2336.32 26998.67 22967.99 11329.08 19473.38 3754.18 2633.43 6104.31 7501.19 6830.3 7154.83 9895.24 3077.17 7432.04 7057.62 12307.35 13253.24 16052.9 520.67 4212.23 6253.28 13000.56 9538.03 4265.52 4950.42 13036.8 7889.58 6938.19 9863.79 6602.98 16491.21 1230.8 832.56 16775.27 16266.64 5919.65 2156.53 4359.6 4340.34 2161.57 2543.47 6976.74 2841.43 4709.6 4208.17 4222.61 2006.86 18349.63 7658.13 30713.49 1836.13 14857.79 2318.38 2477.93 993.99 14387.61 2590.5 1946.97 4165.77 2672.99 1963.3 857.93 3367.57 3085.02 3353.09 2992.82 26801.47 5335.91 4532.07 490.27 2283.87 2392.46 6848.71 6571.47 6543.31 7235.48 6816.9 6868.93 6527.36 6832.59 5928.21 Dapt 2181.14 2388.02 9937.64 10558.63 450.21 3846.16 1019.44 2051.58 2302.87 1111.54 5193.27 3706.69 8231.74 5543.3 645.83 6903.45 3866.41 628.88 6486.33 2218.62 957.9 421.06 3593.95 8912.66 3066.99 2136.25 5008.25 4468.15 2508.04 4229.8 2437.67 2811.09 1158.74 16392.4 22807.04 909.2 1780.07 930.18 4714.15 9211.21 521.94 1312.77 11553.03 8012.31 887.05 2848.16 421.65 676.96 4270.91 461.68 2292.31 3793 15166.96 15533.68 2092.37 1632.99 13956.16 15819.34 2197.52 1541 12063.54 3188.79 4321.92 17414.64 3524.51 1750.29 1014.76 1275.68 1747.72 2343.28 628.14 788.01 4668.36 23637.4 8713.7 3870.92 4040.38 3993.3 4228.04 4312.08 4285.92 4814.41 4345.47 4158.14 Kinetin 7002.43 6095.07 4030.69 2535 7546.98 8429.64 5744.8 8276.24 11174.81 4987.22 5362.85 5448.73 6430.93 4383.47 7148.52 6999.14 7637.36 10063.19 7400.94 10179.68 7608.75 8391.16 5279.97 6441.07 9596.7 8336.57 5448.4 5516.28 8761.51 3206.93 9308.25 10257.19 5485.96 4147.61 5998.35 7230.15 9123.14 6432.07 4391.29 4410.38 8401.18 10386.8 5043.91 3726.35 9125.01 4791.1 9860.11 5651.18 6046.22 10149.9 6358.12 4664.55 4687.34 5718.18 4664.86 7378.29 1087.09 4041.42 6581.12 5980.79 3897.62 2959.76 5133.48 5153.33 3785.89 7086.74 7865.28 4298.78 5583.12 7093.54 7989.54 7137.41 5031.86 5193.23 4683.41 6793.84 6663.48 6664.38 6677.46 6916.53 6913.62 6661.37 6914.83 6673.67 Senkirkine 2189.31 4683.51 8286.67 9812.08 5384.56 5813.21 11603.94 4665.19 8023.84 9094.67 17897.99 12403.21 13568.22 4307.06 4189.87 5075.69 16037.23 2649.09 4647.63 3143.4 2622.9 1737.44 11198.05 11436.16 6949.95 581.71 6139.4 11518.06 563.62 12035.43 545.89 15748.72 1389.96 11588.95 10261.88 4608.97 4306.23 7023.73 9678.59 8356.88 4794.6 8167.18 8404.08 9621.41 5643.25 10855.48 6370.83 9059.58 9726.85 7786.11 4388.46 8598.85 7075.32 11732.82 2926.23 3648.49 6663.74 9321.01 3738.44 4900.9 7716.73 8134.34 5208.36 12266.04 14573.22 6250.62 7172.36 9509.86 16100.35 4533.34 4261.72 13270.66 10848.22 11705.33 13160.53 10089.59 7871.88 9397.35 9215.18 8964.14 9205.26 10176.84 12438.95 10227.37 Ercalcitriol 26048.35 33030.27 28559.41 938.99 3714.32 28691.32 1612.41 5104.91 34471.81 40852.41 2316.74 4991.86 23844.39 2599.6 21766.03 23049.85 2678.72 3773.18 4318.12 2246.58 24732.46 26935.13 29130.24 17864.44 2062.37 26883.35 41603.32 28919.05 1115.85 23382.44 29081.8 1321.3 20744.78 17357.94 18729.88 12873.83 30670.43 27614.31 27541.62 20355.36 12319.08 3376.54 47330.14 21057.34 11541.44 32690.48 18845.58 35431.39 10352.13 18274.1 30317.26 32311.73 25797.02 22110.88 20132.85 16277.03 19295.89 7697.84 4244.43 28553.34 21697.5 15809.77 9694.19 26699.45 29852.21 11653.67 38367.3 54934.84 18041.11 13196.64 31121.77 26346.33 25901.55 13807.2 11797.48 22355.35 22976.19 22645.43 23736.15 24329.06 22693.12 22683.46 23778.61 19178.88 Amidosulfuron 13320.61 9650.12 10723.45 10219.6 14098.65 6084.44 19918.09 17679.65 12921 14178.31 3288.59 11610.79 14386.26 16515.85 12219.78 12267.69 15541.78 13244.66 7417.9 8583.94 10785.61 3552.56 14054.63 14990.32 18114.28 15442.03 19908.07 17740.27 12266.66 10052.88 11535.35 15802.05 9245.61 13065.97 13421.83 15565.19 12808.23 3298.66 9963.82 11282.39 9131.61 11944.68 12586.58 14834.29 16387.94 2387.1 12942.15 17294.74 8268.06 9107.83 10292.88 11983.68 15474.19 6681.18 14517.83 13096.83 8836.39 7994.69 12030.12 10061.19 18299.99 15134 12184.9 11197.86 13065.36 15077.86 7883.37 19062.98 14201.71 18143.22 10813.16 6380.55 7792.7 8809.09 12573.69 14594.34 15805.19 16720.38 15246.65 15173.13 14340.26 15638.77 15151.6 15654.94 Inabenfide 107335.48 164090.64 53328.62 51139.77 54094.7 28203.43 51978.66 88460.96 131425.13 131142.93 50312.28 65568.97 76895.73 96640.08 109049.84 83626.79 60155.59 87767.02 163757.29 146346.49 61110.51 5155.07 59159.28 79702.84 122544.06 68812.05 143046.69 110372.54 129298.21 22840.66 29751.98 86336.67 86733.26 49764.7 51192.34 127513.05 83479.7 69383.6 79955.67 122644.09 18342.74 64395.18 70306.59 68121.71 54514.05 48725.46 60403.26 164308.62 84086 78726.58 53454.64 87007.35 64661.27 66118.85 60839.48 119228.64 57411.28 70833.92 83832.39 50490.43 55234.28 76040.72 74312.24 51432.92 143351.22 124944.49 40672.44 135314.73 139572.84 88320.26 68864.54 130832.19 69721.49 92933.48 78416.4 6226.88 9393.58 7594.72 9334.34 5097.68 8058.92 9251.68 6105.6 9830.67 7509.81 6625.5 5999.16 6275.55 5420.97 4599.56 8028.84 6686.2 8775.03 19028.79 6334.23 14811.69 16094.01 18995.88 11772.77 20256.46 77912.76 77910.27 77910.1 77297.35 77918.21 77514.89 77912.52 77516.17 77792.63 4-Hydroxytoluene sulfonamide 77651.05 950.6 17552.38 2909.91 114823.59 165113.88 46456.37 105812.03 126995.69 63449.99 39423.06 37606.64 25259.64 28959.25 117703.41 42943.07 31461.23 128148.83 112552.22 176568.28 82287.7 77157.06 26315.74 33908.93 103705.04 128261.39 34967.26 30254.17 102093.43 21912.36 135700.89 3754.81 87912.91 33942.76 36090.31 71581.08 95498.35 112513.48 27083.91 30338.98 89690.58 127651.56 38546.09 18710.01 173425.9 61711.64 112182.32 50186.71 29778.76 66288.34 67902.83 90776.94 31128.94 36543.9 78179.63 103901.75 17678.44 16901.89 99585.44 75638.89 18853.94 22069.39 93633.07 40775.75 25091 96620.6 129709.28 27993.71 24366.01 110544.62 110406.07 71186.77 34068.2 34005.09 40189.88 75067.15 75066.01 75070.88 74784.41 74787.26 73373.38 74875.42 74786.03 75067.92 Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester 94439.86 109749.67 19117.32 65222.68 17297.43 7802.41 43038.48 60693.02 50455.91 32819.18 76862.01 58548.82 42410.39 107946.47 66820.92 61831.55 45429.25 96368.08 40993.27 45527.93 86941.57 41124.59 33463.78 28910.1 29991.05 62136.32 114533.5 43675.2 51673.36 72559.56 160069.25 49129.5 19709.96 48073.15 151453.85 54239.68 91421.88 14227.2 40154.94 46754.81 40426.24 99959.1 46944.89 49800.68 122605.65 51625.73 67078.79 66249.19 14629.48 105889.42 48901.12 84741.52 36919.44 79114.5 58538.15 114714.81 25614.19 25265.71 48843.26 15566.78 38753.52 31940.9 54238.17 36558.48 42134.26 78255.22 77833.51 123986.97 149169.23 49753.81 50684.98 64352.44 29072.11 58032.06 191077.99 23751.66 19221.27 23502.16 19396.42 20458.35 20128.29 23637.62 21163.39 20680.82 19102.82 22620.91 23802.16 22597.88 23995.04 22633.45 19707.0 22251.5 22683.79 23659.83 21072.88 20412.32 20412.87 20880.08 23173.95 19563.23 54143.9 53857.02 54288.13 53731.69 53210.51 54440.81 53752.76 54214.76 53732.76 4,4'-Diaponeurosporene 2005.14 2380.4 1958.98 2900.55 3625.08 10956.04 3530.79 1910.04 1344.92 1586.98 2019.99 1551 4638.76 955.48 2907.79 2995.86 5916.35 4088.24 4708.65 2286.49 4617.92 558.69 1286.97 1636.37 457.47 5128.05 1361.1 456.53 2317.47 1279.81 3711.32 3928.08 3841.71 4305.44 4987.1 2234.35 2134.25 11331.85 1784.9 3541.82 6913.79 1711.85 3812.96 4194.83 3230.9 3420.48 3083.37 4829.4 2999.71 3649.74 1219.45 3849.58 3449.53 2895.64 2820.31 2994.2 1559.97 2030.96 2744.92 3999.35 3261.32 825.38 3455.52 5330.01 1698.95 4222.11 6458.87 2689.81 4062.77 3630.24 3608.13 3228.8 2406.36 6072.05 5638.06 3913.84 4387.2 4410.16 4504.86 4343.99 4426.2 4387.87 4441.55 4440.31 Daporinad 510.4 1816.9 554.81 975.26 2102.34 791.69 2838.14 4429.85 694.92 2180.18 2767.77 506.6 1826.65 1776.71 1103.64 588.89 9967.1 1972.97 656.63 546.92 2102.93 2270.43 2382.15 643.73 5132.31 1678.45 2387.85 1365.13 886.47 2149.22 1462.77 1126.27 7633.33 2732 2891.15 2835.79 2441.09 1423.25 2166.83 3684.06 478.78 1633.37 780.43 4845.66 570.4 505.59 6848.48 2858.9 2027.15 2322.18 2939.57 723.81 1574.42 1484.3 1950.55 2327.25 4622.37 2383.19 5731.63 2166.87 1430.68 750.94 3510.79 2374.52 2382.41 3060.36 2062.89 1860.75 5066.44 3773.67 6139.86 2000.02 2068.03 1856.51 1617.25 1660.12 4521.88 1631.56 1797.89 1571.0 3198.05 2027.77 2939.8 1905.84 1345.67 1809.01 1886.7 2176.83 1801.34 2143.01 3627.87 3419.46 2989.2 2425.22 1782.2 3719.81 1620.58 3079.94 3232.32 3730.04 2371.03 2363.38 1760.37 2247.56 2281.78 2383.14 2305.39 2538.83 2230.7 7-Ketocholesterol 5049.1 7986.54 633 8578.38 12628.62 10955.73 3294.91 5110.05 13564.63 5372.07 4341.99 14977.04 17942.92 6891.2 10396.8 15011.14 958.32 18649.99 23382.31 2159.19 887.69 1328.85 4971.59 5364.35 5448.56 9372.08 3049.52 7570.49 6083.74 9825.71 10853.62 13602.09 7124.88 8882.91 6155.57 5121.18 7287.59 6885.11 7722.46 8927.23 8281.76 14788.9 5304.22 3519.31 12565.38 9332.52 7337.11 3319.44 16206.02 26065.24 4682.76 5816.74 5020.65 13147.88 7154.62 4328.14 2999.25 4562.76 5361.97 4852.27 8849.86 4097.42 6014.59 14718.27 5457.88 9146.49 23506.72 5713.84 9486.15 6414.43 6306.69 6322.14 9205.52 16397.37 13705.99 10316.87 10993.55 6699.07 10355.64 11213.32 10385.07 10336.38 11029.2 11190.79 beta-Sitosterol 4884.05 4542.64 29303.14 8805.36 7978.91 8534.25 19503.16 10236.09 11073.76 17885.58 5322.89 15324.44 26339.61 9367.96 10402.49 13876.88 2830.38 5650.82 22524.84 3533.74 11051.25 6997.47 21269.85 5388.34 4359.82 3223.49 9745.53 3242.03 10515.88 12862.75 3817.06 11452.71 6381.41 26434.09 9532.53 10837.54 2857.16 4548.82 15815.76 3903.04 6508.57 3827.78 10810.26 7413.16 8017.79 10688.29 12715.7 10713.05 14835.51 13198.66 9573.01 10019.01 34025.7 13446.55 9359.97 14225.09 29830.21 11027.61 5038.8 18515.15 5769.25 18741.49 6898.65 18177.51 3288.14 9054.78 2551.89 13886.33 3289.75 8535.94 5412.34 36205.75 11798.63 8718.27 17682.73 11390.18 13501.67 28928.65 9891.87 17073.46 11991.93 14812.77 6392.96 9260.32 9383.09 7320.96 7909.26 11693.34 15153.59 13583.46 11369.42 22369.81 21840.26 11315.15 16644.16 12863.48 14814.38 14764.09 17614.15 12684.72 11686.74 11585.8 12314.29 12340.35 9146.59 14308.84 11575.52 12185.42 11669.72 1,3-Dimethyluric acid 6484.91 9877.41 6376.77 6432.27 10581.28 21582.38 2449.34 9105.32 11998.7 4120.98 2515.91 2458.31 7210.16 4218.09 12976.17 5405.95 6113.73 5949.41 5091.71 9422.49 17452.37 20601.68 2593.91 3941.12 9528.86 10407.15 8693.83 8404.86 6579.63 3281.03 9730.35 9096.98 6127.61 5550.53 5165.28 6191.56 6796.91 12246.99 2856.57 4397.24 9027.43 11242.09 3946.03 2709.89 9156.25 7823.05 9335.02 3156.53 3455.61 5832.81 6179.23 12081.55 7775.5 10372.3 6225.83 7391.67 4360.49 5933.02 6882 15331.48 5619.53 3453.11 7804.55 4248.22 2912.17 7611.4 7118.03 4972.93 4967.61 10866.66 7330.36 5209.78 4966.17 6228.36 8383.76 3360.16 7842.35 4297.63 3067.44 2856.62 6045.43 4919.76 3751.24 12092.02 4440.99 3050.66 2210.88 2064.86 3366.66 1358.14 1745.86 7242.65 7303.01 3290.0 18853.88 32160.55 20284.26 12014.59 10995.76 39985.52 8586.43 8877.44 8637.6 8729.07 7947.85 8559.35 8879.67 8903.67 8588.21 Acetaminosalol 7916.31 4331.14 1785.99 4777.14 9955.63 12401.32 6250.61 2627.18 3133.35 14262.9 3562.4 10169.14 14714.72 5706.13 8651.8 11500.64 5987.52 9116.79 26022.42 8447.79 6717.22 8511.38 6256.62 5324.01 10177.52 8531.83 4006.88 5259.63 12018.38 3007.56 10350.34 14043.88 7398.28 10936.63 6412.82 13042.33 3134.65 5307.14 4887.22 4745.2 8278.01 4770.16 6797.73 4211.28 5744.56 854.7 2171.64 14226.67 3690.5 5413.1 1806.72 7652.07 7770.52 4264.55 5844.87 9681.78 19325.05 5822.89 5859.29 3643.75 5903.32 9084.32 7929.2 2770.72 5258.67 9037.98 2306.57 5748.67 7114.01 3028.21 5600.85 4638.89 3215.32 11859.88 8454.79 6783.88 7085.41 6985.97 6924.79 7405.07 6815.55 7378.2 7692.01 7149.37 N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine 1105.27 2625.87 2992.64 2003.96 2517.46 4027.86 1210.52 1482.63 692.46 1757.54 379.36 1984.93 2251.66 2628.91 2005.08 2300.85 2662.64 2144.49 2430.95 861.76 2311.57 2858.66 2641.19 1173.52 1381.72 2302.17 379.49 446.93 1571.17 1958.13 1720.54 6134 1802.34 4030.49 884.38 1634.25 2044.24 3323.82 1618.8 1382.43 4010.54 8208.94 1817.32 2727.17 6821.17 3945.87 2290.7 1228.84 5882.58 7645.54 3661.05 3124.39 3122.16 2385.42 2501.02 2727.03 568.56 1516.16 955.6 318.73 1135.88 314.73 3398.79 1013.35 461.4 5093.14 7212.32 2056.64 1591.2 1386.44 3984.93 2471.83 2874.08 2769.62 2305.82 18447.5 1040.8 1547.57 31789.24 35551.31 13323.26 25733.92 15137.41 39833.53 67924.17 70224.38 22858.84 40423.66 79859.37 76115.84 45423.79 92803.03 73980.67 30644.44 29213.22 73408.83 73612.16 82852.51 3905.6 3846.22 3887.63 3990.75 3886.78 3903.27 3865.4 3904.09 3852.69 3,4-Dihydroxymandelic acid 378.32 4021.57 5968.89 932.99 1663.92 3634.96 1880.67 526.18 1925.57 3969.95 499.32 1087.28 3381.85 1255.49 658.67 2186.48 1842.46 1552.61 727.95 399.84 1065.44 554.47 2746.38 1650.78 1220.66 507.89 527.81 409.63 829.07 9153.24 1323.23 1429.22 1243.78 8875.11 3039.62 787.72 1015.61 1394.74 952.9 900.35 417.75 588.26 1049.67 1174.44 343.63 1507.86 889.36 1265.4 1560.34 1555.69 1574.42 8270.82 1667.95 1868.96 1261.93 1534.84 5182.24 5129.34 619.88 9374.66 2602.99 8719.92 1226.37 1450.79 892.52 1313.11 364.5 2289.92 352.03 505.07 608.62 6775.3 1370.9 2905.18 1383.99 2295.34 2139.17 2136.94 2224.28 2179.21 1964.53 2218.46 1806.18 2228.82 Adiphenine 2315.35 1953.86 1254.48 1041.61 1005.98 1010.66 752.01 2012.36 3669.94 1567.48 1211.07 4078.15 2107.75 449.83 455.56 1897.27 707.81 1660.87 3382.11 1483.07 1559.7 16978.05 1451.13 2202.75 2310.61 1675.22 492.79 3462.19 999.9 2306.45 1049.04 2239.45 839.13 1033.79 961.97 2178.67 1201.5 460.14 1504.21 1031.93 1977.2 2882.95 786.14 975.77 1032.76 1634.37 1321.66 523.6 873.2 3763.24 1431.28 1415.98 577.44 1787.63 1349.13 1607.27 878.17 776.5 1605.81 1151.3 1119.45 507.21 1231.7 1237.1 1300.05 1794.38 1393.46 1853.29 2102.49 832.42 1633.79 1507.22 887.29 1110.5 1325.56 1794.55 1785.73 1642.51 1537.79 1992.72 1401.74 1484.81 1832.7 1397.54 Sulfanitran 495.18 458.97 4167.34 2331.04 210.86 5139.24 902.12 242.85 258.89 240.62 187.32 998.41 2067.02 243.01 619.09 943.24 383.14 204.81 618.56 305.74 399.69 5338.15 186.48 243.31 269.03 446.85 226.79 590.07 1412.66 187.32 175.19 703.71 260.74 643.11 486.32 421.96 324.93 6143.03 164.89 216.58 469.72 367.45 317.35 800.49 211.82 366.54 198.26 1505.63 551.61 231.06 222.33 237.19 198.02 268.5 350.82 475.57 2805.89 3349.9 174.63 6176.02 359.24 486.38 438.68 308.3 369.6 271.59 739.79 225.98 658.39 352.39 271.18 320.6 233.45 295.67 708.71 1208.36 1230.52 1287 1207.92 1230.76 1284 1286.75 1284.14 1284.28 Delphinidin 3,5-diglucoside 45987.38 15783.37 6321.2 3655.06 38165.54 6872.05 8606.66 70501.85 39701.76 10187.5 11860.29 29200.75 6194.06 15347.22 19247.07 18373.27 12371.27 43363.81 23111.56 26307.36 44159.11 1007.82 10068.68 12057.05 58954.84 20756.08 15116.74 29403.66 66570.77 35778 72612.09 25778.68 17886.54 2018.74 4258.64 62616.1 42523.77 16850.37 12298.33 19238.59 65093.72 57028.04 6323.03 8735.96 51105.93 9056.01 53175.93 21181.73 23123.01 36291.34 34207.97 11382.53 7475.14 12447.22 37543.23 5319.57 1310.09 1885.88 29468.17 1341.01 6758.78 10494.88 13543.15 1474.36 6065.59 34808.53 20980.54 23911.72 30898.2 45431.23 7087.5 25007.38 34526.36 7433.2 11903.15 30465.22 30796.85 29875.6 30127.46 30265.64 30481.08 30483.21 29335.06 30320.74 1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione 1526.06 2242.35 1828.64 3710.15 2227.01 4203.35 730.13 859.69 719.73 968.11 553.22 964.35 2071.73 1278.2 533.87 693.97 708.59 1408.35 1106.61 1902.16 1767.4 2865.65 1080.59 1846.82 1005.1 1082.54 1441.74 1106.71 482.37 763.1 1359.01 1517.17 1246.67 756.18 2199.19 935.37 1712.98 802.75 608.77 786.37 1598.99 1387.32 721.24 1613.61 901.9 900.36 661.63 1073.51 1183.73 1969.58 1244.96 1549.9 544.42 3155.19 565.72 3050.56 2743.97 1679.97 857.92 5525.95 1460.03 2131.85 1392.37 2031.49 2083.13 1699.48 3144.6 741.47 623.48 1020.16 737.02 1167.14 1092.66 3641.48 2415.79 1342.77 1262.73 1249.31 1053.43 1316.04 1176.95 1316.23 1348.71 1233.14 2,3-dinor Prostaglandin E1 985.51 708.55 917.35 22297.63 38712.39 41484.24 58429 347.28 1859.11 1301.94 1016.77 2171.75 17100.14 1100.31 1131.88 2094.36 859.15 1611.74 1432.21 1268.61 1807.51 5591.49 389.5 938.72 1175.36 612.96 202.81 340.54 1706.55 715.93 1140.26 4062.11 434.59 4368.43 2346.39 2309.35 822.09 2545.69 1620.24 924.67 22113.01 3886.1 2351.12 1600.41 2325.69 18468.85 1281.77 1860.55 3219.36 4118.92 3600.42 2153.09 1615.38 4436.35 7142.79 2558.01 2080.42 1730.12 1562.67 4022.39 2061.81 1904.93 1514.75 3310.23 1012.05 3956.48 2139.25 1169.51 1835.5 712.21 1560.17 1914.85 1315.38 9618.59 4274.58 10615.87 10334.94 10435.16 11099.2 10018.24 9931.86 10111.4 10208.05 10509.7 Sumatriptan 3903.64 2488.18 4712.12 3528.07 5458.52 1168.73 5178.14 3899.39 4462.98 5137.45 3250.06 2668.25 2004.35 2672.38 3762.82 1168.18 5028.18 1850.85 2027.93 2672.29 2254.41 7327.23 3755.58 2453.44 6018.43 7292.51 4387.28 3319.49 575.9 2473.54 8077.8 3645.25 8819.73 3101.24 6237.18 4923.62 2158.73 3143.99 3673.52 4255.45 3395.32 8003.02 4878.19 1684.74 9438.89 889.46 2895.38 4306.7 2386.41 3538.66 2313.7 8347.9 3359.22 3097.38 3417.52 4568.74 2836.56 4171.82 1504.04 6879.53 3978.75 5401.44 4055.87 3093.34 2827.97 3218.39 4266.88 6550.27 1490.93 2902.65 8513.66 3804.78 6850.1 1933.83 4351.55 5191.82 4917.67 4815.08 4262.4 5427.62 3408.58 5294.62 5310.02 5243.44 Milnacipran 2337.98 301.63 328.07 17685.26 54667.51 17602.79 32196.23 4220.62 243.09 2795.24 2293.57 308.09 25007 252.4 5688.76 4228.9 684.9 11195.97 8762.08 1950.6 2117.07 2758.88 253.92 1153.5 2905.2 291.52 1306.54 704.11 4183.22 4248.82 1305.74 8229.27 4835.02 10638.04 758.88 6537.93 5093.58 3618.51 1738.38 3487.95 41899.57 3981.75 2963.11 2236.56 235.87 13909.59 3334.04 2718.36 2787.66 3563.29 6622.08 4205.37 2434.41 6137.9 10686.85 3911.37 3327.41 374.26 6227.98 8462.47 263.39 5022.26 2927.5 2478.3 2459.93 4742.33 3139.86 440.17 258.2 3086.88 3070.62 2154.28 2717.71 416.6 7444.5 7701.66 8936.55 8937.84 8310.07 8939.79 8947.87 7878.15 8936.94 8704.2 Propan-2-yl 7-{(1R,2R,3S,5S)-2-[(3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-en-1-yl]-3-fluoro-5-hydroxycyclopentyl}hept-5-enoate 16935.75 5024.48 4790.99 3106.94 51391.95 4380.22 3563.99 18891.8 4197.36 4693.85 4484.97 5193.99 17430.31 11246.53 17684.85 8320.29 3605.58 10516.76 6660.13 16454.16 15041.1 10441.43 5910.51 6676.24 17952.6 6122.25 8348.6 5555.26 27331.44 4564.85 6887.31 10497.17 3012.54 7821.91 5426.27 18852.89 13857.75 5057.51 4140.66 3336.83 3253.18 44732.75 4975.93 6642.93 10449.7 7825.26 10134.99 9633.11 8773.5 6070.02 24271.07 3234.54 3872.86 6166.08 35408.47 2742.57 3061.61 2504.94 7904.93 6391.45 3234.87 6414.51 15785.93 3705.76 2021.16 13631.31 4264.14 3903.83 4997.16 17623.31 3797.03 6402.17 4103.38 4477.01 5329.31 10955.86 10470.92 9903.58 6458.05 11943.09 8516.69 6597.29 8797.7 7916.87 7894.86 6709.49 7594.68 9128.1 10146.38 9564.01 5213.46 6517.25 5883.09 5436.54 8823.57 9962.18 7804.54 9860.12 7102.64 5763.64 9837.81 9827.24 9883.98 10022.08 9882 9806.65 9875.26 9782.6 9820.71 Convolamine 636.06 2375.24 1696.22 6837.88 493.06 5683.81 1560.97 3929.14 2250.47 2378.14 2944.31 4501.94 15407.07 1443.47 7874.13 4339.24 1521.75 8952.76 4377.53 19336.98 2342.62 3979.26 2080 2401.64 2285.34 6036.18 2294.29 2776.04 8678.54 2497.79 9413.03 6241.23 4827.48 2217.98 2628.53 3332.02 3473.53 1120.76 1888.53 1603.76 1135.34 1096.23 2511.96 1605.77 10941.1 3651.24 8747.63 4203.92 2667.18 4475.95 2459.62 5387.58 519.83 3052.57 2053.29 2824.36 1586.67 1526.73 5903.29 2405.36 1351.21 1753.27 4103.27 1944.44 1536.32 3201.15 2252.45 2059.82 1527.26 4012.39 4044.46 1364.7 1062.73 546.89 1798.98 3055.5 2852.09 2821.46 2717.66 2783.19 2847.63 2332.13 2577.21 2622.35 O-Toluidine 886.13 2762.51 4027.66 14995.12 935.06 6722.09 4530.49 4516.16 4331.54 3875.18 3252.82 4238.98 4054.17 2441.08 4041.32 638.55 3096.6 942.99 5408.18 4257.74 3064.19 3487.14 1910.42 4128.16 766.35 1519.37 1486.84 2633.54 4012.67 2566.98 565.01 4329.85 3610.76 2860.19 3254.76 5383.24 3312.52 7266.54 3594.85 2890.49 4212.72 3080.02 4509.78 6214.36 4890.95 8230.45 6524.39 23804.75 7297.4 1848.99 3883.35 6568.05 3156 3948.51 5986.9 4414.42 3324.99 5423.62 3787.82 5965.95 6218.4 4405.79 5044.29 3637.01 3641.42 7021.79 5149.57 5661.38 4114.44 6499.21 3693.49 2170 2251.34 3626.67 4697.37 8875.42 10063.11 6891.71 6883.21 7205.47 6910.19 6773.27 7637.23 7084.67 Octadecylphosphocholine 1329.59 441.74 339.56 297.58 563.02 430.12 615.2 174.36 538.63 653.29 901.92 296.82 1571.92 369.59 258.74 374.94 279.85 329.71 651.68 254.18 292.8 749.78 365.3 1048.34 987.68 388.33 606.44 829.93 183.62 973.39 258.54 1125.56 667.7 855.07 2494.66 533.68 609.7 1111.7 578.05 635.61 2028.67 3155.03 654.52 605.87 879.1 25080.43 1007.96 1170.64 657.85 1366.6 974.42 903.82 1280.91 1141.74 551.39 759.72 505.88 937.63 519.47 502.19 737.7 550.15 563.37 793.62 833.79 3784.82 800.85 664.83 1022.41 807.21 774.96 782.78 1048.22 3110.15 1906.29 2256.07 1925.1 2258 2216.64 2167.8 2254.51 2483.63 2258.89 2193.66 Sulbentine 112.47 119.86 239.28 113.34 79.7 167.71 1033.58 282.13 181.26 315.55 337.56 224.16 258.77 271.01 332.74 182.96 234.37 374.33 309.09 73.75 418.14 235.56 208.4 145.86 115.9 322.14 220.18 93.78 491.91 187.93 388.5 311.14 447.22 328.95 218.5 282.55 316.39 439.59 391.46 269.13 226.67 288.94 288.72 338.62 272.94 144.96 179.84 269.14 147.77 399.59 370.74 323.48 249.68 223.6 209.16 321.14 288.53 376.16 268.67 229.7 314.39 191.08 199.69 154.7 307 247.85 454.74 388.35 268.39 207.7 339.27 289.6 237.26 239.12 278.72 5368.51 9334.45 6101.54 6059.94 5287.71 5789.84 5565.5 4645.24 4953.91 7979.98 4953.72 8649.07 5240.87 4816.07 4837.16 4583.28 5198.62 4744.8 4847.19 5360.17 5821.62 5268.38 5723.71 5042.66 4686.37 1880.16 2124.17 2185.95 2170.69 2162.08 2130.4 2189.03 2198.98 2188.06 alpha-Asarone 7077.51 6358.39 7003.11 7320.2 4459.63 6872.17 7209.53 12916.39 7320.83 7810.4 12309.2 6774.64 4874.55 8660.33 8773.04 5472.94 4705.93 6930.39 5326.76 6545.16 9620.33 5159.87 7348.01 7340.99 6012.17 8248.78 6964.91 6826.15 6550.99 8734.44 5951.1 6246.18 7217.49 6985.57 6806.45 6826.18 7489.68 6905.65 7524.21 4812.11 6709.78 6774.46 6213.51 7766.8 7478.97 7177.56 6693.66 6907.84 8262.64 4521.83 6025.54 7181.79 6419.37 6682.06 5847.29 6490.97 7884.18 7398.47 7022.34 8865.41 8429.96 4849.46 5770.44 7862.28 5066.12 7557.4 5951.12 7211.94 5999.29 6697.68 8625.9 5411.29 6808.93 6337.55 5247.78 7140.58 7636.06 6470.44 7310.83 7504.33 6236.21 7486.39 7468.74 7634.32 Leu-Val-Leu 15961.82 8816.01 1926.51 269480.77 648821.69 64494.36 540037.8 13622.01 6295.48 4755.65 2324.23 6437.53 99237.27 5730.27 7629.92 40510.66 5188.08 6579.08 8696.63 5286.79 6596.06 3855.51 1710.01 7736.68 18960.61 7983.49 11024.45 5304.79 8869.52 10210.08 5876.81 9138.26 1989.14 2889.4 4568.44 21076.88 8417.06 3546.07 2451.35 4834.64 51040.96 29440.31 2908.92 6373.16 5802.72 108931.08 13744.84 6529.19 1356.97 7587.99 3656.12 4276.34 3785.73 7987.75 32601.83 8570.54 3837.74 1246.23 8289.95 10522.5 4597.1 4946.27 6108.85 4915.77 2126 31060.48 7283.68 8040.67 10504.44 13192.39 3599.49 8025.96 2141.83 3339.86 13271.38 42258.38 51333.23 42573.22 51309.23 51306.83 42364.46 43134.86 50176.84 49446.96 Methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-4-hydroxybenzoate 6162.91 1446.87 2220 841.68 1068.22 1796.68 6915.54 3231.68 1749.63 1549.71 1741.2 2470.09 1021.91 2496.55 376.42 25487.87 1217.03 4939.14 1191.78 2915.19 2844.82 3126 2335.6 1035.39 730.49 3594.36 7027.07 1816.03 9023.56 796.19 840.12 5376.72 494.41 3229.54 2174.02 3922.86 3250.04 6229.32 1832.93 2502.38 1978.46 9481.24 3464.37 1275.94 5984.81 4609.36 3461.38 5813.65 5446.16 5047.65 6581 3544.79 4662.48 3615.07 7121.84 6164.45 2338.33 2557.89 4978.32 10915.52 3796 6871.1 3639.66 2990.7 2106.77 9510.23 1106.5 2473.5 1245.85 4704.8 4064.21 4431.81 3387.83 18501.38 4387 6312.41 6013.21 5379.7 6005.42 5842.03 6017.15 5856.75 6010.99 6008.47 Protoporphyrin IX dimethyl ester 6071.25 2725.59 1146.13 2410.08 4415.18 5263.62 4559.57 5591.7 17475.73 10321.42 4074.37 6590.78 4308.5 6386.54 8541.55 2941.02 1870.1 38587.77 28668.48 10612.52 13219.43 12269.83 2173.25 6263.51 7129.38 6943.39 2603.57 2558.82 5436.71 2675.64 9306.25 31235.12 19966.07 3847.36 1327.26 5154.2 10616.18 783.7 1326.76 882.44 831.95 25554.61 8764.12 3666.21 33667.24 5163.77 4636.5 3238.66 11664.6 16281.92 5295.36 15720.78 12861.44 1544.02 845.03 9084.97 1997.27 922.86 9489.91 815.62 860.91 2984.61 20620.36 3817.14 3765.86 1973.06 30683.3 4276.96 730.83 8316.34 1739.85 8506.59 6282.57 1942.66 601.45 1801.15 6269.45 6640.2 7614.16 6213.37 7062.96 6048.7 6778.24 6253.37 Syrosingopine 7319.8 1922.65 460.05 404.3 2327.17 892.18 1671.96 4632.89 9088.33 585.93 289.82 1707.5 970.27 1086.27 477.91 2217.62 2478.01 2154.98 2632.42 2099.31 6641.54 824.67 1400.98 1476.89 6575.27 1917.93 1866.35 1481.22 7715.61 4385.39 378.36 1643.64 716.87 1383.21 389.51 1547.24 4377.9 1357.39 1298.15 2832.46 2623.74 13323.6 468.93 277.46 6927.15 1705.97 2230.21 1493.21 1353.15 495.34 1038.82 490.45 430.15 1709.74 3690.26 1590.79 569.06 1692.86 5215.39 620.93 1232.25 565.19 1610.1 2793.3 1671.31 940.99 2506.14 788.53 1262.83 1051.84 1367.47 1494.04 2061.05 580.84 396.55 3108.71 2978.89 3155.42 2570.5 2767.47 2977.95 1175.66 3078.99 2745.1 Butyrylcarnitine 760.81 4620.74 3222.99 3685.99 987.05 3930.13 762 1830.61 1984.36 2109.17 597.91 1911.6 1998.69 814.82 1849.53 6911.52 1071.79 1632.09 2091.75 1769.05 1719.11 2712.62 1460.57 1873.21 1547.16 1734.45 1864.34 1771.96 1658.53 1784.19 1592.21 1599.77 939.89 1728.15 1674.58 2517.16 1677.88 2627 2143.99 1292.18 2345.19 1948.92 1223.39 861.7 1790.86 3014.64 1288.23 2130.48 1831.39 5175.09 1165.52 1974.22 1352.57 1542.63 620.15 3475.99 3187.64 1503.26 1762.96 3078.66 586.19 1804.64 1381.45 1201.15 1257.96 842.7 2475.96 589.34 582.77 1413.64 1252.02 2000.72 1640.22 3547.9 2023.74 1703.31 1697.56 1615.81 1439.07 1589.49 1703.72 1623.21 1705.76 1619.47 Thiodicarb 11387.61 21107.54 8332.75 7564.64 9956.35 6211.96 7962.23 12075.82 6309.99 15774.98 7574.49 9004.15 12304.78 12642.37 14853.29 11089.27 7829.34 11426.27 15103.93 889.92 3428.89 6993.63 8677.03 11596.32 17120.02 8945.22 18298.59 15147.11 17265.81 3730.4 5719.67 12876.63 12298.89 6872.72 7121.56 17428.9 10646.36 10518.18 10725.18 16403.86 5890.74 12223.44 12010.9 11342.6 9117.35 9167.32 10983.79 22980.69 11919.74 13508.13 8314.26 13447.17 9533.85 9801.1 11360.64 17566.88 8334.96 11359.25 14300.38 8369.09 8584.29 10122.59 11874.99 7749.72 13643.09 14345.82 7214.96 17851.02 17526.33 14140.37 11345.69 16006.88 11024.12 11679.29 10531.18 11125.81 11347.85 11353.21 11353.92 11588.25 9920.55 11197.77 11117.34 11356.84 Bupropion 10859.66 5062.32 2644.56 682 9332.37 1214.11 2150.97 20842.2 22387.44 9547.42 4683.31 11171.73 4362.75 5513.01 6140.19 9541.24 4659.06 14501.5 9543.46 11533.92 18121.3 5202.15 1062.23 2639.38 13657.99 9279.01 6097.64 14840.86 19979.95 17286.71 24239.5 12542.91 6810.05 1175.35 3953.9 16781.99 15697.19 2361.44 5153.66 6213.44 22930.37 19258.48 1828.48 3816.46 17157.85 3915.84 22229.73 6672.36 17029.8 20589.71 7132.95 3719.02 1398.71 4413.05 7060.61 3482.26 2041.52 2386.93 8204.6 1419.01 958.15 1074.04 2590.11 4115.55 6147.18 12524.62 9009.49 9515.63 12742.17 13636.04 3857.56 7307.69 12423.84 3814.55 5327.42 8829.85 8276.21 8863.37 7748.86 8637.62 8412.05 8437.47 8985.43 8841.69 Gentiopicroside 4066.76 3771.4 2980.62 5829.65 5555.29 11619.57 7955.19 5838.38 7155.55 15350.36 3466.17 4067.6 5205.69 3875.77 4606.23 7881.71 7707.66 6304.28 13661.39 10800.47 16391.14 1410.78 4839.33 3058.23 10720.69 25861.56 15900.25 9284.2 10102.67 3895.1 8464.92 6765.2 3019.97 7045.62 6165.38 8384.62 8426.72 10590.91 8375.6 5769.85 10080.84 7820.78 7097.21 2150.68 16696.74 1899.75 12543.48 5116.91 2870.58 7414.35 5092.38 5917.11 8308.07 5143.76 6899.51 4629.49 3391.79 6344.46 10805.41 972.6 3466.05 4371.84 2140.6 9142.41 5263.89 8883.66 7400.73 8451.61 5159.04 9390.24 3695.33 4386.35 6561.48 7278.87 3896.79 7186.76 7189.32 7079.14 7188.44 5987.63 6955.99 6893.85 6817.35 7030.9 Nitrofurazone 4818.27 4657.84 3346.23 2194.44 7846.93 6321.92 4302.17 8496.96 1723.08 4049.06 5326.07 2934.79 1441.37 4163.87 4632.3 2940.24 2779.13 5455.69 4427.57 5643.83 6752.69 2095.37 2057.75 3623.4 4641.99 5853.56 3027.85 3014.38 4982.96 1337.32 4635.74 3264.47 4735.73 1449.96 3997.05 3449.33 6097.22 7616.7 4016.92 2588.22 4974.65 7709.65 4400.53 4797.03 5299.97 7911.26 8690.87 3840.39 1551.89 4893.8 5774.54 5768.84 4107.07 4599.08 6965.58 5152.82 3684.53 3447.43 5817.31 3951.42 3071.35 1511.41 3828.08 3435.64 3509.62 5152.72 7833.55 3658.36 4002.75 7453.47 6472.9 3899.64 7006.76 2782.87 2574.07 4936.59 4918.29 5109.39 4911.58 4796.18 5037.27 5017.7 5001.54 5108.21 Heudelottin C 21881.19 22821.13 10499.87 14624.15 22089.44 63465.75 1346.87 21054.52 1023.09 40407.43 11339.65 2787.85 3799.35 7654.6 19792.61 44412.15 8452.42 14596.83 1510.61 46428.14 46766.37 13533.44 14753.41 5446.02 19120.54 26337.39 20270.88 14913.89 4306.16 2398.66 44586.5 3415.85 23872.68 27189.57 29267.33 7401.86 27941.63 1269.02 17960.58 7632.82 62744.68 43722.29 10283.59 6987.78 28607.87 15046.27 7164.76 4012.98 5636.4 2183.49 14670.72 22979.42 10089.63 11015.42 9202.91 11372.38 12989.47 5712.02 5344.46 640.44 13920.81 15610.19 11089.27 15696.36 8357.5 15052.64 37750.25 7776.15 11470.08 17212.07 21011.6 6125.84 13494.66 26102.72 13617.98 3059.96 6046.76 3752.16 3781.8 3441.08 3903.35 3090.33 4722.25 2342.4 1145.06 2463.45 6160.28 3137.87 6718.72 3931.66 3047.96 2114.83 541.72 2315.78 1358.76 3739.49 1693.17 2505.36 15308.27 16107.22 15960.72 16022.6 15818.46 15249.82 14532.42 15642.83 15086.09 [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate 29451.96 30825.99 19576.02 26202.34 33984.63 53282.74 41463.72 32647.28 36760.39 32444.01 25751.2 19274.85 33970.33 23026.19 31403.39 1202.47 19752.99 20163.17 1412.29 50202.53 33292.58 1698.42 30733.68 27251.26 29490.2 31226.49 32290.89 25692.65 19826.72 15848.3 37002.2 36906.79 26918.72 45309.31 32267.31 3222.09 34857.04 31754.63 30818.86 26458.93 49926.46 35435.25 24264.29 24332.3 32047.69 34420.45 8846.56 23598.05 17283.22 11999.87 31803.98 33515.64 23008.59 33519.59 30897.11 30735.36 21939.37 18934.87 24910.98 27608.48 21152.53 27490.25 31260.81 27544.92 17009.92 31893.91 43097.83 18081.3 24556.57 30550.24 28051.57 35497.79 22146.8 28607.41 29655.33 2953.56 5026.19 3356.22 2788.83 3052.24 3740.38 3259.57 2807.96 3582.74 3180.55 2813.49 3146.69 2431.15 3110.17 3291.47 1877.64 3190.64 2925.2 3305.32 6579.74 3687.55 2814.11 2831.27 4993.87 2827.79 31642.34 32034.48 32032.75 31652.13 32047.8 31713.4 31756.49 31681.46 31438.57 N-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yl-4-hydroxybenzamide 29753.71 46469.24 32141.53 22853.11 43574.92 39674.94 32632.9 32487.33 50847.58 39739.9 28495.52 40596.88 44344.97 31449.48 42479.01 92197.84 24309.79 51096.36 65052.76 55630.91 60028.13 33316.6 51311.76 9274.13 35755.56 41997.51 22235.83 25889.26 37871.03 48645.51 56939.55 59332.5 42541.3 22579.02 42982.61 31335 39511.28 30333.88 40272.29 32586.35 63009.23 58084.21 57822.87 19098.58 82345.52 43238.03 27845.83 47302.31 27054.99 68467.03 33920.3 40805.88 39767.41 57976.88 36194.7 51582.34 40939.46 14920.24 16459.36 41858.97 34043.03 31296.75 34270.17 40353.07 23561.52 46423.47 78254.65 40197.69 45477.1 44308.84 34423.11 40625.4 36018.34 59756.81 40795.84 53610.47 51362.28 53534.1 52098.68 57273.48 53590.15 53548.56 49445.48 52411.7 Mitoglitazone 233445.19 161128.35 61725.55 74364.49 190070.44 145549.02 124029.7 296533.24 315805.91 193532.81 105718.61 161160.54 91822.66 138694.97 216264.29 169330.72 107941.07 193179.36 188118.21 272897.84 227244.18 83340.77 71371.03 117209.34 250538.97 195333.04 153027.42 215755.25 264011.51 220093.34 282636.97 199678.69 139023.41 107729.48 92937.81 246234.41 234301.49 148041.48 141770.24 169276.87 298853.47 291667.31 105530.49 118448.9 219586.43 135766.57 273398.95 176438.74 214349.82 227023.59 206737.96 132726.85 91732.42 135113.84 206683.88 142883.84 55125.32 58151.41 216459.1 91632.41 85076.33 79180.04 151667.43 117580.24 163763.75 220490.89 219901.78 178227.67 205251.47 242599.17 268057.67 183779.86 218753.7 122928.1 146763.77 204814.15 202207.49 202335.54 200803.48 200817.84 199053.71 200787 202376.41 202697.19 15-Oxoprostaglandin E1 165.44 744.38 329.41 2034.28 4540.35 12501 22517.55 197.58 316.11 362.23 398.22 60.73 1739.46 82.44 273.42 1126.84 54.67 33.29 402.25 328.54 89.23 368.49 205.75 353.91 274.28 235.62 45.87 46.69 228.27 29.33 89.04 70.06 202.55 29.89 454.14 572.48 354.36 223.79 390.25 68.22 14497.73 1160.52 43.59 262.96 49.43 687.59 31.42 44.57 376.42 2079.73 160.42 222.56 316.94 87.59 299.21 37.19 56.78 161.79 122.9 1262.17 459.28 82.03 349.27 358.7 310.88 172.38 415.17 358.47 45.56 293.1 348.71 313.33 293.43 32.68 59.32 5430.46 5379.39 5222.31 4981.8 5258.61 5490.66 5359.48 5279.37 5224.65 4-(Aminomethyl)pyrimidine 3186.18 2790.36 2652.51 2804.88 2157.22 2842.78 2663.03 3029.12 2769.46 3020.82 3471.54 2556.24 2835.04 3241.89 2741.72 2727.81 2726.09 2214.35 2737.88 2598.81 2825.46 2789.04 2849.16 3131.63 2651.17 2355.32 3174.61 2811.35 2432.88 3158.7 2419.82 1784.33 2581.21 2603.05 2980.8 2636.1 3191.59 3190.82 3264.87 3249.89 2614.94 3110.73 2834.4 3066.04 2348.56 2371.84 3083.36 2705.33 2520.94 2613.71 2753.69 2722.05 2949.41 2654.13 2698.56 2765.75 3158.25 2898.31 2798.92 2654.82 3372.41 2829.45 3018.17 2900.85 2515.4 2034.73 2860.78 2583.85 3110.52 3239.09 3007.92 2574.24 2814.8 3037.21 2773.04 2635.12 2798.37 2670.31 2534.67 2632.12 2677.27 2634.5 2683.64 2864.31 Janex-1 7508.78 3830.41 9525.57 12346.39 7049.83 6355.93 13010.94 7591.68 1226.37 11112.47 13516.85 12515.84 10735.52 12520.98 3017.87 15393.72 9575.94 5557.86 13935.64 5758.63 6174.97 582.67 12065.58 15328.4 5552 4144.36 17084.98 21065.26 6317.21 10465.19 2159.65 20025.06 1743.01 12070.35 14737.59 6761.42 1233.84 3105.11 14126.5 12241 6388.06 10384.64 16401.22 11868.9 6104.15 12700.67 5623.38 11885.63 12340.49 17477.25 7318.45 3872.06 13351.92 16607.22 4463.98 2713.13 6871.25 8242.69 5274.99 2509.47 10277.1 10183.8 5435.38 11951.6 11183.22 6693.18 4122.52 13223.59 13073.04 2845.36 4831.91 11572.17 10701.58 15455.05 14478.35 9533.02 9379.23 9789.55 9471.98 9541.2 9421.48 9472.8 9533.87 9377.48 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine 56172.57 49474.2 73518.78 91630.8 67194.19 74771.89 110155.52 65984.68 57840.16 79884.64 100807.04 95926.79 86033.21 88017.99 55167.58 119050.09 73981.17 44333.51 116070.24 64714.82 52152.25 32808.67 77661.44 102008.57 59794.78 58585.96 110118.16 126658.5 65645.36 70582.17 54659.7 147956.96 30556.31 100560.77 98422.48 62653.2 51094.47 46051.15 95201.62 87162.08 59259.46 93467.05 116784.55 77672.55 61115.14 86294.8 55224.17 105020.37 86197.49 142374.2 62371.13 50064.92 93475.11 117817.94 48281.99 45035.09 50779.02 65991.91 47658.77 33323.26 71082.62 68917.46 45861.55 83468.23 75633.12 61829.34 60939.77 85360.14 87798.43 54604.28 43134.35 92420.47 84709.42 108591.62 102011.5 77409.17 75133.25 75680.16 75694.63 75142.36 75628.46 75133.97 76164.76 74011.87 Farnesylacetone 93592.34 48838.1 8019.39 5373.24 5782.84 140487.25 6862.34 89811.48 54836.4 47339.05 31352.56 27869.95 48488.62 34323.47 35330.55 24907.25 15434.24 33431.97 45123.71 20227.72 26914.9 35008.3 16592.59 27192.3 82639.89 81747.26 41987.96 44138.28 66308.46 10567.82 29147.48 63835.1 29613.86 28233.57 31680.78 120950.43 45693.17 25850.52 23074.1 21968.09 4896.62 131755.5 23575.06 21945.27 39785.15 6653.94 78096.02 46088.66 63201.96 46152.6 89986.09 47113.33 16983.35 28146.76 44775.02 33616.66 2219.29 952.52 53076.52 26841.95 18233.63 33032.42 34872.55 27465.88 15636.56 57057.42 36613.91 37644.44 29669.91 57381.51 51113.18 35646.64 23914.31 32846.27 34225.89 45443.67 46430.56 45341.66 45336.93 46152.35 45274.54 45586.07 45622.85 45635.16 Bromobutide 2166.1 774.77 1641.23 879.97 942 7191.99 1221.12 1042.62 16848.38 8194.82 9181.94 2261.39 14204.01 790.37 4604.9 3466.13 4530.27 795.37 586.54 13486.46 8186.91 4513.1 2068.36 1476.97 1877.06 405.67 934.94 1113.72 4350.31 845.05 1821.95 871.98 3660.15 1525.51 740.72 2861.22 5155.13 4717.46 1534.57 1780.77 936.52 1304.34 2022.48 2001.92 2615.23 698.77 2275.96 623.85 1704.59 2822.46 2701.33 2994.44 2079.46 2157.81 2483.06 10512.86 623.22 1926.93 4757.74 2641.29 1268.5 2113.51 2914.26 2426.94 3956.69 4401.7 9286.72 1567.01 1498.06 5534.83 7843.57 702.1 3358.57 2628.45 2701.81 2847.64 2631.17 2638.28 2931.16 2532.86 2785.54 2860.74 2481.73 3119.74 tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate 7925.37 5308.61 5006.95 6475.42 5815.83 4708.67 5088.25 12906.4 2684.03 616.17 1767.95 4234.18 941.85 3065.63 16883.6 6257 3327.96 700.47 3918.79 9076.27 7931.59 3352.91 3089.93 763.16 929.04 3581.26 4086.97 4481.15 883.39 498.82 10040.49 5477.68 3278.38 9010.47 912.78 5057.68 10087.77 1004.4 5295.78 7149.29 1468.17 4643.39 3010.46 2817.34 1083.12 13985.54 15748.66 7951.97 4685.17 1301.22 8481.86 9270 3497.3 11742.2 5897.27 2246.84 2818.43 5918.98 7555.56 843.55 2590.47 7984.49 6379.53 7739.16 2045.76 9640.78 4261 4626.55 1236.11 9155.07 9529.91 683.01 3183.49 6957.87 7475 2043.05 4815.16 3192.0 4459.67 2923.07 2937.57 3374.46 1362.47 1032.72 2553.09 826.76 1001.95 545.21 1552.0 1657.54 583.09 2095.27 4986.35 5783.29 6079.82 4461.72 3931.68 949.89 6313.2 6094.5 6621.21 6198.82 5721.29 6072.5 6091.06 6582.46 6051.47 Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)- 1350.38 1164.88 3874.01 1583.04 1064.56 4295.85 7165.81 2323.3 4879.47 1170.12 4949.4 1745.05 142231.32 11992.37 3257.02 8786.55 1903.48 2879.95 7689.59 3853.9 1619.19 4288.32 5291.44 6826.01 1809.97 1735.59 5512.64 5960.56 4797.81 8013.97 3198.15 11456.98 3336.67 6805.13 4948.05 7988.48 8890.87 5732.8 7405.25 11248.2 13193.96 3572.87 5136.99 5778.12 3328.01 52041.98 4314.7 7323.94 4363.54 19394.86 3251.65 14640.98 7170.31 6060.76 2548.57 6236.14 4396.77 8078.91 5640.13 8482.35 6505.32 9520.19 1634.51 7949.81 8824.35 6998.76 5438.75 4748.71 6677.3 3940.18 8127.76 50175.85 7391.7 6820.64 10354.4 10177.29 11678.53 10320.79 10871.82 10587.94 7804.06 10755.96 10703.76 10776.95 4-Hydroxyindole 1030.47 1658.77 1606.57 614.92 1829.05 543.82 1928.89 2020.53 1095.23 2283.45 1527.01 3300.46 1266.54 2117.97 2152.69 1698.91 1008.65 1906.07 3356.4 1065.4 955.98 816.86 1685.91 2156 2063.41 1329.45 2532.48 1780.81 2597.78 964.56 747.1 2406.2 2228.83 734.25 710.34 2183.1 1387.2 1262.13 1296.17 1154.53 872.64 611.24 2250.62 1019.03 1620.06 468.76 2257.56 2431.09 2139.93 1586.39 1751.12 1955.91 908.67 1400.16 1300.6 930.94 1113.9 1315.73 1217.62 1041.39 1941.78 2030.23 514.55 1497.42 568.61 2700.92 1017.38 2551.91 2195.53 1060.24 671.79 2732.28 1187.82 1240.97 801.96 1760.59 1761.27 1753.46 1731.16 1762.68 1694.21 1687.87 1171.01 1727.26 Betulin 7541.43 8122.07 2277.97 5484 4648.4 11332.77 747.17 1402.42 8432.22 11432.98 3598.72 1002.29 590.21 8435.3 6844.9 6696.38 2103.82 7402.16 6138.74 14040.76 530.66 14515.51 9927.86 5811.16 7196.82 8013.11 4994.09 5336.77 7972.31 8682.6 7433.56 7482.66 7907.27 3693.8 3557.17 3614.42 7442.69 10309.93 8110.49 8404.45 7102.66 7900.88 9269.01 4267.64 6501.65 4999.79 9461.59 5877.9 3029.02 7451.91 8102.42 6876.44 4714.3 3408.77 6744.69 7599 7003.73 4522 3476.8 7883.84 2858.79 2462.38 4646.89 3087.99 6162.4 4259.39 7050.85 5263.69 7106.11 7596.2 9288.49 2973.87 10890.35 3284.38 3659.64 6285.89 6432.83 6420.03 6641.69 6258.12 6778.66 6482.38 6268.67 6277.16 Amorolfine hydrochloride 1828.86 626.47 4374.47 9880.18 876.46 35558.57 57201.38 2434.54 3195.17 2089.99 896.49 2051.26 13047.55 2554.83 658.85 1188.15 2402.39 500.32 973.1 4020.9 649.89 978.44 2461.35 514.71 960.98 3252.02 2440.05 1090.02 3512.32 2776.07 466.13 8826.59 1366.84 3401.34 3598.7 5790.88 3619.72 3476.48 779.05 995.33 13019.69 4387.57 889.38 3268.74 4396.53 17258.22 3751.15 2357.84 1144.69 2130.69 1244.25 3399.76 986.93 3989.14 2483.29 2025.45 2190.12 3039.52 789.96 3894.64 972.36 4148.6 1160.57 910.07 2202.16 3337.09 1802.49 1360.71 2172.5 1067.99 3796.09 4715.24 603.74 1450.23 1416.02 3210.89 6008.57 3076.53 3204.9 2995.06 3210.96 3422.73 3065.8 2923.47 3090.72 3569.98 3029.51 3166.1 3078.82 3258.99 3113.43 2905.06 3518.2 3148.87 3245.38 3387.91 3124.39 2964.95 2994.12 3370.15 2362.24 2814.63 2510.03 2821.83 2582.86 2481.22 2647.27 2481.42 2427.4 Caffeyl alcohol 1618.21 14024.93 6699.63 6622.52 4042.76 2833.7 9025.15 8228.36 11451.05 22718.34 3362.9 5938.41 4519.86 10638.19 10278.92 10856.8 13188.43 13444.19 24044.58 6658.41 9345.25 16232.77 5520.89 7239.12 9124.31 38206.33 25799.2 11599.02 9146.61 9296.46 7357.56 13464.62 13144.91 6298.49 8817.61 19991.39 9699.85 16424.41 7556.67 6185.59 6170.19 4578.79 8554.26 6651.65 7768.69 6196.12 7151.17 10709.64 1508.51 7578.71 6784.13 9060.52 6211.05 5615.19 6438.45 15741.34 3439.1 7109.12 9873.99 20786.9 5756.15 5560.71 6673.52 4567.65 6790.96 4938.89 4851.42 14631.22 3798.86 8959.43 8338.26 12452.44 6167.36 7370.91 10028.65 2185.32 2880.47 1937.82 1866.9 2005.29 2385.45 2278.48 2048.21 1382.94 1922.88 2129.73 1889.92 2199.74 2187.0 2102.43 682.73 2292.09 1861.97 2427.62 2149.05 1823.94 668.11 1607.5 1979.94 1714.48 10835.91 10714.94 10931.15 10729.12 10715.72 11493.19 10299.13 10759.73 11037.78 Khivorin 1139.01 829.74 2099.64 517.88 1026.49 1183.56 3752 2063.15 1928.21 747.38 2172.37 1973.57 3643.83 2133.31 1673.42 2243.07 1332.42 1130.03 3512.81 820.97 2531.71 523.13 2444.62 2291.08 1310.18 1746.74 1694.36 2835.73 504.8 1087.88 1411.32 2315.42 816.31 3134.57 2831.76 1936.11 1044.67 872.46 2464.97 2640.01 1464.67 1192.21 2864.39 1185.87 601.09 2956.81 1159.78 1649.19 3591.66 1554.84 2973.89 699.33 2892.89 3491.7 585.09 963.7 1365.7 985.43 1027.6 703.77 1682.49 1803.65 1038.57 2524.51 839.36 2556.02 1391.34 1797.52 1258.62 1083.03 926.31 888.33 2338.66 3427.58 2994.99 1802.88 1768.78 1702.35 1768.03 1752.42 1699.46 1769.26 1541.2 1686.02 Dobutamine 2281.7 1618.78 2002.9 1778.48 1223.9 24463.34 651.49 871.67 3037.15 1896.51 2999.83 1563.78 590.9 1948.16 4874.36 713.87 1944.71 2344.11 2536.43 656.37 3578.7 2593.17 2503.6 3929.84 3820.9 2727.76 2116.73 1869.12 3394.64 4608.42 3849.1 6649.35 801.68 1317.99 924.72 3709.22 906.14 7064.69 2179.03 1221.78 5076.53 2128.55 1945 2287.42 3117.34 877.82 3052.51 2043.17 1258.01 870.8 938.87 3715.04 1084 2863.68 2784.18 3807.83 1644.05 1051.02 924.7 1971.41 2159.19 9905.78 1342.27 1313.95 883.42 1666.25 1022.93 623.1 3338.4 1683.69 2819.07 1631.24 1173.52 1795.42 2414.23 3356.77 3135.04 3001.62 3022.66 3243.47 3030.14 2943.83 3189.65 2238.88 11-Dehydro-2,3-dinor-txb2 5415.87 12550.51 1849.87 2093.54 15051.81 15148.61 1735.53 9819.8 4482.28 6255.4 432.75 904.65 475.64 637.91 6356.96 1888.56 323.22 793.84 749.67 820.23 10910.37 421.33 2221.99 1325.61 7201.55 14332.15 960.23 2305.04 1660.39 1463.34 804.75 4495.79 1864.28 2929.14 1197.32 2950.23 7166.35 15602.72 1698.47 572.25 1077.08 9503.3 1267.24 967.86 2243.88 466.9 2910.64 885.28 686.74 467.35 7260.73 16322.39 1617.8 876.04 10208.42 12071.91 1514.45 2021.46 6472.69 8755.11 334.44 1390.87 5934.84 2706.53 994.13 9724.51 9815.21 1131.61 1302.28 10430.07 4731.49 4261.46 308.92 322.79 477.42 3720.69 3836.74 3825.5 3775.52 3692.25 2970.14 3657.47 3931.71 3682.27 Butylone 11778.1 11866.71 2801.12 2164.05 19610.55 8694.34 7777.54 13627.73 15515.77 7040.52 4531.18 4798.95 6263.17 4163.46 13609.07 6746.05 4198.64 11500.12 13074.36 17459.86 12499.25 3391.08 4269.35 5630.01 12657.1 14127.33 5499.08 5094.96 11812.67 5357.29 15377.44 13510.36 9399.38 7039.67 4835.52 8703.31 13617.07 8867.65 4005.13 3656.18 14746.43 20372.14 5143.95 3741.92 16759.81 13042 10661.46 6345.95 6024.78 9562.81 12345.64 11219.38 4998.5 4926.65 10093.04 12255.92 2736.36 1566.71 11722.83 7979.92 3712.85 3512.91 9455.06 5181.61 2820.58 13857.39 14305.8 2133.38 3174.36 12704.25 9304.77 8526.2 5390.55 5095.42 6479.81 8704.04 8960.06 8935.16 8775.19 8881.67 8265.87 8942.33 9135.89 8700.87 7-Dehydrocholesterol 16740.43 22095.51 9250.62 13500.67 31138.35 81669.81 27234.12 20296.32 29936.78 17425.44 8784.04 29939.92 22060.78 16563.83 19466.89 15541.47 10459.83 17543.88 19559.09 40053.35 27973.87 25118.87 12210.94 9725.66 18184.24 26718.34 15904.69 14818.4 32321.92 21248.61 33158.46 48969.5 13331.44 29707.12 11663.18 33729.73 19107.02 22021.42 14684.19 17894.03 34731.43 46770.43 13222.84 13843.48 44779.11 27913.62 28618.35 19864.61 15790.04 50988.54 21367.95 26894.85 12675.68 23908.78 29096.22 21894.87 11547.65 21841.65 17367.47 14339.44 11371.76 17021.97 22321.79 11970.12 9063.57 23037.8 47852.06 13447.55 14947.65 21592.6 35100.39 34905.5 15515.4 20100.77 30898.15 26745.7 29657.8 31087.86 31497.54 31084.94 29451.26 35956.33 30855.3 28604.64 Dihomo-gamma-linolenic acid 5568.07 6434.37 5931.25 6702.6 4528.48 4765.96 7254.17 9768.86 6663.16 5671.24 7574.69 4276.27 4061.16 7046.29 5566.72 6465.99 6590.19 4435.48 1716.1 4401.16 6178.38 4680.46 3643.98 4913.31 6019.34 5825.15 5056.75 6589.08 5048.71 6782.5 5574.35 5819.38 3819.92 6020.02 4608.4 5722.59 5242.34 5116.01 5514.11 5293.11 4609.55 4601.63 5521.14 4915.55 4842.72 3611.31 5398.76 4867.44 1266.07 4685.84 6541.81 5055.16 5399.14 7287.36 6375.51 4677.85 5887.82 6441.34 4989.64 5260.23 5325.24 5862.02 5443.88 5238.11 5331.1 5297.54 5560.01 5334.36 5142.03 5768.58 6403.93 5037.19 4185.25 3849.3 5808.83 4609.01 5853.21 4128.26 4700.62 4111.39 3947.54 3675.46 3870.31 3533.68 3550.11 3671.77 3465.9 3492.74 3331.71 3675.29 4290.36 2951.45 2811.14 3229.41 3306.99 3222.89 2901.17 3002.3 2822.63 2956.45 5676.15 5709.85 5539.22 5538.57 5540.3 5657.45 5561.92 5668.93 5104.6 (3-Acrylamidopropyl)trimethylammonium Chloride 245925.33 231273.73 239025.85 239843.13 214210.57 241062.73 395271.48 516518.66 219274.39 218235.89 440468.53 181568.35 171206.51 225544.09 201111.3 194712.36 195478.18 204387.84 210191.45 190161.03 316531.72 167115.55 175385.34 231912.17 206904.33 212477.56 253943.39 219872.8 205581.8 230174.28 232593.11 204535.16 163128.59 239571.42 221678.99 211304.36 214086.42 213822.55 224641.39 224510.69 216734.35 208053.64 224275.41 215116.89 206819.56 211333.05 197610.35 207487.09 211178.85 199501.91 204464.22 220089.67 222157.08 219503.46 334470.68 221935.26 230091.22 221323.69 197677.23 206896.11 230501.49 217656.17 215974.49 212116.97 223932.23 207356.22 210928.46 220586.39 231579.92 211100.72 213716.03 227026.9 214768.56 210307.52 218793.86 177821.73 452646.17 173744.54 179612.04 181791.72 178798.81 175937.65 175464.09 192755.24 188239.89 201329.12 176918.99 174766.55 174176.82 181128.08 183518.79 176272.41 174978.65 172891.3 177236.92 171899.11 171185.49 172027.92 174867.76 175550.29 212736.45 210837.6 212734.28 209210.58 212666.61 211955.16 214856.22 209587.78 211480.79 N-[2-(3,4-Dihydroxyphenyl)ethyl]hexadecanamide 1625.58 2694.19 507.77 1292.95 1067.82 3240.89 1332.93 1933.82 492.66 1747.91 1612.85 2564.06 962.38 2374.61 1927.2 1321.93 1054.46 1235.77 572.07 2096.07 1386.01 1203.02 822.7 2601.96 1270.19 832.97 1076.81 1388.49 910.55 2248.81 638.17 1148.4 1850.54 1102.6 712.17 1974.88 1537.06 1427.07 478.71 657.9 1604.69 1268.79 1321.16 830.75 569.92 779.13 1880.76 587.69 593.31 1570.2 1002.56 1407.77 412.59 3439.25 1030.2 2118.9 640.32 679.67 489.58 1515.13 644 748.63 2786.2 1427.75 654.03 994.24 1168.62 2626.79 3779.39 2766.99 1185.79 1627.31 533.22 1471.84 417.91 1741.64 1776.74 1328.94 1606.83 1641.73 1642.69 1746.6 2163.95 1797.32 estrone 3-sulfate 746.03 740.62 3439.05 1874.85 785.08 725.72 3829.89 1372.65 610.83 3068.37 6236.34 2049.05 750.59 3042.13 1695.8 1347.21 4545.6 580.99 783.04 645.48 2103.73 929.68 5060.71 5163.24 2036.33 561.75 3102.41 5763.24 973.18 4536.14 390.34 2025.35 860.45 5273.45 5919.67 3870.04 3177.3 1734.19 4872.37 1562.22 529.23 1528.15 3262.8 5561.33 1708.37 2184.06 1055.1 2888.67 2243.46 681.02 1190.17 2583.48 4471.99 3987.91 3018.03 1073.95 3360.55 4444.82 997.48 1273.01 3325.16 2177.59 1235.83 2490.89 2765.05 2155.7 1639.97 1843.33 3345.94 2099.93 525.06 2456.13 1488.87 1840.61 1906.5 2622.4 2754.5 2641.62 2640.21 2870.49 2652.23 2766.92 2762.61 2620.39 Butylate 2008.08 5031.96 1001.17 1956.37 5339.32 3366 840.16 4678.42 3505.92 2698.03 1235.6 3622.73 4678.23 3295.82 6566.36 4637.4 2930.07 7678.64 5859.07 2676.52 4098.11 1863.95 660.4 3744.19 5070.1 3008.16 3114.81 1138.91 5351.21 715.54 5341.43 9096.86 454.58 457.93 1418.38 5458.99 3881.79 1658.24 879.06 3173.66 5680.28 7845.48 3536.88 2929.9 4853.09 2289.22 7166.1 4427.63 2925.79 6882.69 665.21 3517.86 2098.62 3933.25 6979.45 6130.62 2386.15 2355.39 4006.6 2516.6 2881.81 1658.97 4615.87 2516.62 2791.99 6580.3 3421.4 2935.66 6546.24 5608.52 2010.9 3371.87 2906.47 4179.61 3446.93 4044.6 4046.93 3992.36 4070.54 3831.83 4000.5 4045.19 4045.6 4039.03 Gibberellin A7 3676.17 9051.47 4439.89 6004.4 23674.83 39471.48 16447.99 7926.79 16200.39 26065.87 8673.81 6876.93 12737.86 8141.32 11940.98 13395.71 9722.21 27202.19 23656.47 50163.11 25642.17 7335.33 13257.82 3934.04 12759.63 6716.45 5894.08 1526.16 38983.43 4264.54 2107.57 4483.26 24466.12 10221.8 9256.83 14374.98 10548.56 13377.75 4949.09 6216.39 12462.88 12937.53 9536.72 12860.7 27264.03 22898.14 31226.04 16600.17 16884.65 17622.69 14397.41 30514.03 6953.03 15000.5 8445.78 23832.21 6384.7 5120.08 23729.2 9899.68 7061.52 8091.62 14990.08 12200.46 8712.52 11120.38 27858.8 8123.27 13710.76 11810.76 25765.35 17831.39 11331.32 9278.2 14461.78 16022.66 16051.45 15982.64 15472.77 15996.41 15983.74 16385.27 15170.07 16111.4 8-Cyclopentyl-1,3-dipropylxanthine 54563.23 74446.85 37312 41944.12 76290.32 103565.52 70002.07 71802.89 75161.15 56337.82 54610.72 46102.79 50406.96 42226.28 61403.98 86552.3 36470.12 53091.27 56433.02 82340.44 74299.17 54785.41 38829.15 47782.92 70905.59 67579.89 43702.9 56380.34 86449.33 35660.76 75637.02 71135.46 40406.08 54315.66 45308.3 72663.13 62017.84 66764.17 48907.04 41324.21 92665.42 84312.34 47975.02 40186.79 78963.91 44617.73 82561.92 48552.15 43451.01 86592.68 55884.29 59607.08 48585.73 51034.92 42367.42 57255.62 29539.31 30467.52 68061.13 47262.87 32975.71 33542.45 45385.66 73526.63 38185.09 66860.78 72775.53 42177.12 41744.45 58388.95 58895.94 51490.61 41025.28 80017.16 46035.27 8011.06 7080.77 10915.85 8776.66 1542.61 10697.43 8083.85 7910.92 5555.5 8777.33 8136.45 4640.12 8462.57 7177.37 7029.54 6734.45 8600.62 17149.98 7979.21 5663.2 16365.98 8129.88 8235.96 9932.61 7549.22 57472.81 56915.27 58234.07 57060.21 57495.64 57238.51 55734.05 57409.24 56957.75 Fumagillol 170.45 239.11 1035.03 26503.46 23071.83 32007.68 51530.08 125.96 112.38 73.77 160.06 729.39 10442.4 233.16 160.9 2707.08 1753.49 75.49 89.82 165.01 418.6 189.81 164.67 103.07 487.92 253.63 292.18 505.97 272.46 951.43 187.71 2261.1 182.6 3826.19 279.02 119.53 237.9 1298.94 565.36 556.1 17646.96 2691.16 131.2 155.89 208.55 18863.14 172.63 77.81 204.5 890.42 2291.85 162.27 988.99 2401.34 4232.36 928.38 106.88 63.88 442.66 2795.73 186.22 1794.2 1001.7 442.17 89.96 1949.74 288.59 96.11 156.73 254.83 170.36 380.99 81.82 1436.78 2784.37 3577.85 2917.73 3264.25 3482.39 3686.78 3542.11 3767.53 3886.05 3627.59 3430.22 3081.15 3767.47 3906.33 3520.58 3548.71 3404.32 3807.94 3528.16 3761.75 3684.25 3758.15 3730.54 3435.45 3819.33 3806.91 5306.8 5179.42 5179.36 5144.53 5179.91 5160.85 5168.66 5143.88 5143.9 Gentian violet cation 246.54 773.98 558.59 1011.97 10871.99 11233.61 2063.88 899.75 1228.05 758.2 534.2 484.59 1012.83 530.73 769.94 804.87 423.98 367.6 864.8 466.36 1452.97 504.91 1054.35 982.34 833.03 411.04 574.71 952.44 1778.68 503.57 603.08 690.01 650.87 395.22 607.15 402.84 540.6 1396.83 349.4 277.16 4197.86 1263.47 515.16 581.05 1237.66 1672.53 439.44 925.3 693.83 343.02 1003.8 886.11 769.94 700.36 1124.12 326.6 885.19 1008.6 1173.01 1366.53 504.24 1094.64 950.56 579.77 1007.95 721.73 536.67 813.69 584.9 1014.78 259.46 673.97 621.73 1192.02 1251.77 2011.72 2186.65 2289.28 2113.31 2172.56 1476.71 2197.84 2011.15 1930.52 Ormetoprim 7089.1 10899.12 2380.16 4832.07 13873.42 4058.63 2892.52 12250.12 8613.73 3041.34 3598.91 7691.36 11377.11 7899.01 15018.71 13610.68 7795.22 20332.86 16062.12 6374.72 10685.29 3683.73 1820.07 7467.96 11017.26 8550.59 4790.24 3302.1 11506.66 1619.75 13548.29 22428.3 1984.92 2248.66 6777.96 13389.49 8585.33 898.85 2047.03 8536.93 14200.42 19881.57 11264.88 7866.78 12818.38 8023.24 16492.62 10628.87 2981.22 15867.78 3272.14 4812.13 5386.89 9080.02 14904.87 16301.89 6373.02 9919.79 9596.55 5439.18 7543.94 2526.96 9838.25 5021.55 3276.23 14262.39 4692.96 4427.01 13648.61 12384.12 5706.2 10383.99 5541.59 7176.64 8275.04 10993.41 12308.03 6731.4 11121.21 5191.88 12375.47 11164.67 5992.44 5891.35 10786.62 8396.35 9968.55 11495.06 12365.53 9375.25 10946.67 12720.39 12805.13 12213.97 7151.26 12327.12 12726.07 12702.86 13533.38 8021.68 10383.09 10473.69 10384.07 10349.52 10460 10478.9 10753.52 10102.48 10561.86 Androstenol 762.65 488.42 245.65 21043.35 13613.03 6434.25 11741.69 1205.01 415.77 938.64 524.78 717.63 9729.75 646.11 904.74 4261.88 2422.69 1263.07 806.56 265.12 958.22 408.19 257.62 220.72 739.31 788.78 2512.33 549.46 297.07 1586.43 288.02 1281.44 405.78 449.14 373.29 267.89 376.71 716.32 407.69 802.82 28968.02 6730.22 565.53 1062.41 654.96 9289.16 458.29 971.41 596.72 1308.05 851.69 217.32 702.9 1883.75 9896.63 380.74 998.71 871.91 1471.24 3452.64 1386.42 1892.63 1579.15 540.04 1929.52 3232.04 1909.51 419.96 2754.48 1209.77 1083.38 710.58 1098.01 1419.08 4413.88 4655.94 4812.16 4743.72 4735.83 4584.61 4811.97 5297.25 4518.37 4660.25 Acetylsulfamethoxazole 7416.28 7338.58 2122.02 3665.23 5961.58 6234.68 7007.43 15228.9 11006.07 8167.51 4323.89 5417.45 2097.79 3133.96 7833.94 6515 4496.94 8299.99 5641.62 12127.78 7580.2 1793.09 3429.57 1466.51 6888.18 5091.67 3554.73 2302.21 8731.55 4917.14 6930.4 3789.47 6722.23 3649.6 1148.39 5257.68 13752.43 7902.39 4559.79 7744.89 6100.31 15348.51 5330.62 4736.4 8729.21 3041.13 17735.59 8434.5 5670.96 12204.9 6194.82 6454.5 2569.31 2948.86 9173.89 7130.11 10812.42 2409.54 10289.27 1646.72 1499.33 2099.69 7716.13 2559.63 1796.52 8900.89 12136.77 5943.53 8351.99 11616.17 14547.81 7068.2 11563.04 4090.52 8509.74 9255.82 9042.99 9053.76 9050.34 9476.8 9366.27 9964.74 9405.94 9005.04 2-Hexyldecanoic acid 34958.29 2588.02 6281.64 7121.75 19972.04 15049.43 54795.39 41206.42 43218.92 36343.58 27733.88 31384.82 2606.76 37520.22 3174.27 1831.8 41256.98 47478.73 61529.18 1744.66 15324.2 44085.68 5116.04 43664 37054.99 736.2 42399.04 33081.38 32034.68 58860.64 35450.06 60337.09 1951.1 33290.26 42246.62 45689.01 37142.09 31360.03 40995.64 48271.41 48373.77 40047.74 39733.82 33527.97 36146.05 44126.13 41219.1 77053.07 28921.64 43541.47 32777.11 35704.26 21470.11 41967.62 17326.59 45129.14 37199.4 39525.64 41063.83 56461.85 37106.34 40263.15 39344.78 51132.46 49816.43 39742.71 54288.67 34090.52 32137.65 38280.11 46403.39 34746.73 39349.35 54125.86 54327.96 48696.87 48698.36 48337.75 48371.49 48188.86 48404.07 48529.6 49197.92 48708.59 Ilomastat 6523.42 8838.85 1306.88 3481.72 914.67 6424.78 12340.04 9313.07 7602.94 7777.26 4737.28 3884.4 8535.38 8472.59 8474.64 7936.67 6162.61 7879.21 8669.75 10858.06 10018.67 7411.74 4348.43 6976.72 7456.38 4338.38 6148.12 7438.08 14878.03 10616.55 11055.09 16651.65 2097.68 9613.74 7313.47 11950.67 7950.18 7945.99 4869.4 6633.63 17332.32 13419.96 5305.56 5846.98 9533.81 6294.73 15753.71 8486.11 7576.9 12238.44 4239.93 6985.65 6148.2 6730.36 7352.75 6979.34 4476.94 3096.56 8017.64 7939.63 6351.66 6073.23 3001.58 6652.74 5086.85 4663.55 9782.02 7051.55 3472.91 6930.62 5615.09 8019.9 5808.67 7322.64 7308.38 9191.88 8788.55 9521.96 9361.17 9511.84 10054.92 9309.03 9519.4 9522 Ascomycin 1482.83 1014.58 160.61 2258.05 2378.39 1141.13 11102.3 854.46 542.33 222.42 908.78 2262.64 2387.66 710.3 1043.39 204.23 506.6 614.34 1442.17 1159.62 546.13 618.46 341.91 237.82 1350.06 1882.19 821.82 306.64 1096.29 664.19 774.67 709.94 3053.82 1851.47 1082.81 931.68 1650.93 709.96 762.66 464.83 10381.84 4151.91 366.58 1066.55 777.53 6152.28 2162.93 524.58 6304.27 517.72 3498.65 942.85 1311.21 3635.53 6006.53 1517.43 2248.47 1197.98 1338.51 5076.75 999.76 1564.5 3432.82 1380.45 1832.9 4486.57 2109.92 1200.66 1018.93 447.67 825.11 873.33 6901.68 8674.41 3811.29 3324.22 5531.72 3082.09 3696.21 3841.62 3495.24 3954.8 2393.35 3157.83 2763.31 2776.81 3756.4 2698.15 3791.56 3929.78 715.11 4501.96 4738.31 3735.66 3043.76 4597.31 4525.01 3700.49 4082.65 3457.91 5997.94 5508.11 5579.78 5445.83 5564.11 5023.63 5451.68 5521.29 5524.09 15-Deoxy-delta-12,14-prostaglandin J2 31082.78 63048.83 8035.06 7625.48 55853.18 30337.83 2694.08 30688.79 35072.79 13783.96 6877.86 19990.43 7035.99 24312.9 38592.02 17450.45 17362.57 38205.83 47614.55 65716.26 34787.09 14538.22 4247.42 20978.87 27806.35 33532.63 14884.77 14285.63 40051.42 19220.2 50209.97 43706.26 7587.35 5387.95 8935.33 42019.51 21450.48 8920.89 3995.49 11625.94 40346.98 58035.41 15898.14 14720.31 40931.1 1202.37 34008.69 37346.86 13684.16 82481.2 19247.08 24337.96 7966.24 17817.74 39675.16 42590.78 10057.59 10316.95 20495.03 8445.13 15772.54 5948.53 32678.1 11177.02 11895.13 37549.34 69152.35 19677.17 31638.77 36783.25 25413.72 22678.35 9823.43 12319.46 8912.86 20620.95 21546.89 20852.27 20853.29 20860.24 20625.07 20618.68 20789.02 20203.33 Populin 551.76 5070.8 871.77 470.85 6803.32 3205.99 774.74 616.61 16468.2 1216.85 1501.02 1136.63 1777.06 330.85 4068.33 1048.1 1955.42 857.09 630.18 1171.64 2641.95 9108.3 867.98 2404.46 1509.1 4705.43 1068.6 1741.34 1756.48 1003.18 2061.7 3466.76 2263.04 1272.76 1430.68 1523.81 3334.98 8524.78 924.23 447.38 2215.81 2054.11 841.39 380.63 1963.41 1080.1 605.83 910.91 1816.3 2436.17 817.4 1106.45 346.3 358.56 1394.12 744.19 1474.77 1152.36 1965.32 3771.14 1093.83 1278.8 1391.47 2482.9 1850.32 1153.04 982.95 2342.43 3990.68 1777.27 1931.65 605.85 1962.44 455.76 609.11 8070.82 10127.91 6098.85 9851.47 6433.2 7192.81 7630.18 4766.31 6279.02 13014.26 8128.79 6293.32 6468.17 5159.04 5714.63 5938.41 10353.3 13232.54 4019.51 13142.47 8360.06 15578.21 12709.0 10592.47 10304.55 1931.92 2333.03 2158.38 1706.09 3168.2 2562.67 2489.4 3067.33 2094.37 7,10,13-Hexadecatrienoic acid methyl ester 12415.88 8859.75 8912.77 14625.85 18987.54 15975.87 19230.2 9590.47 8614.35 10438.01 6375.03 8112.19 9311.6 13163.61 11121.51 10446.99 5373.93 7934.16 9787.75 12177.07 6680.4 8473.59 7034.64 9514.28 10217.77 7572.75 7785.05 7013.33 11304.86 21391.22 8168.74 13374.2 8228.73 11657.65 10525.48 10143.55 9289.61 9624.82 8538.46 10514.9 20951.57 12163.53 9171.8 12524.62 11460.47 13121.11 15480.49 10074.93 17938.98 12235.73 12217.7 13783.24 11731.7 9649 13419.48 14031.62 7819.29 9142.25 10208.88 12174.73 6008.41 9598.85 9497.75 11429.24 9078.9 11213.31 7604.01 8868.89 8928.46 14519.25 8392.3 9085.1 11428.92 9876.87 9942.79 14987.92 15177.15 14214.57 15060.15 17190.26 14487.49 14044.18 14038.27 14015.81 Neochlorogenic acid 3011.83 18749.63 648.54 7447.23 2587.48 4644.61 3923.65 3394.03 1581.05 20215.44 4293.69 861.99 1300.25 6425.57 10295.03 12883.29 12892.72 12062.19 23930.43 11465.85 9356.45 1088 2852.79 2581.57 2257.31 55185.92 7727.3 10749.71 8886.59 4375.94 9794.28 11763.77 12738.31 775.16 2556.48 20212.67 15549.16 15103.77 2240.3 1392.72 6683.06 7446.14 4268.76 3614.1 7873.54 855.72 1446.45 6826.21 2393.13 1914.78 3964.92 14476.88 1062.21 1219.33 5222.05 18165.5 2680.78 1812.62 12086.88 23456.25 1009.08 5315.29 7621.32 3951.43 2796.24 2854.11 6764.95 13027.47 4221.5 9794.04 7061.35 10340.91 5008.23 7007.26 10961.84 8705.95 9040.97 8629.92 8159.87 9113.78 9064.62 9051.96 6157.14 9169.81 Physostigmine 17051.04 15064.11 10920.89 19620.23 27097.8 14848.97 23752.1 14170.45 12018.09 17189.91 14609.87 12099.38 11519.49 15648.64 15120.03 23278.6 12340.24 13438.28 16850.64 14000.95 14519.52 15255.82 8727.66 19419.37 17673.44 15517.71 15476.37 13859.86 16330.84 25520.52 13384.11 23800.66 16275.93 17690.87 17366.14 15193.48 15351.57 15649.74 15001.45 14363.03 17463.98 19729.01 17906.01 14329.84 17312.79 17792.76 14639.54 15024.56 14989.26 20126.52 13101.15 12236.6 13198.01 17898.16 13258.57 11381.94 17495.86 16025.22 12531.12 18729.23 12591.84 14879.75 16507.36 18568.85 11655.32 12245.88 12832.79 12836.64 16604.28 17942.94 17161.74 18048.42 13548.91 26630.71 16576.68 15994.26 16061.44 16006.44 15548.46 16063.99 15949.66 16018.7 16061.32 15983.35 12-Oxo-2,3-dinor-10,15-phytodienoic acid 35636.14 19482.99 4442.64 12934.06 35219.2 48490.14 7781.5 34945.14 24664.33 21872.07 15793.91 14288.31 20164.12 16504.48 20657.2 10982.94 4277.92 15672.51 25804.37 9518.51 11819.7 17283.97 9236.05 11226.28 30351.79 32438.86 17645.74 20020.33 24456.74 3005.38 13767.28 23883.77 16813.6 16991.6 15277.21 40468.72 18877.87 13041.99 10984.23 12904.96 12566.7 55129.29 10908.78 12079.6 18055.4 20234.12 38412.28 16300.46 24866.36 18960.36 37371.3 16324.05 6901.07 11700.92 22255.46 16193.77 3278.84 5410.18 19119.37 13736.52 3378.21 10925.3 12665.97 5949.31 1174.3 24553.49 15356.14 15899.9 10610.09 20374.32 22871.77 14424.5 9279.39 9751.62 17829.02 26004.78 26073.89 25937.8 25755.27 24190.52 25649.77 26898.03 26758.26 27823.61 26350.79 32979.62 26261.12 26681.5 26430.82 25557.68 28413.15 27060.18 27118.34 27382.65 27797.95 13802.11 12912.42 27668.4 28206.69 25311.95 21490.93 21064.19 21949.14 21968.55 22902.3 21682.74 21516.55 21474.13 21537.54 Cypmpo 6413.2 4926.04 1562.51 1039.3 3345.04 5322.59 6196.72 1418.71 10198.48 5772.07 3577.04 1081.03 5416.62 4637.51 4405.65 13206.01 7056.88 917.38 3463.97 7761.05 2662.83 4354.5 4309.32 4376.1 4480.47 4444.53 5216.89 8271.01 1373.68 1940.26 6512.35 8397.53 2202.47 2482.78 1226.97 8069.71 4093.86 3979.24 5197.25 7965.01 3776.76 6382 6911.99 3819.65 3399.3 6191.71 2263.93 6754.43 4740.53 13407.4 9048.43 5390.74 6230.27 6537.99 4055.86 5433.57 1762.17 8957.46 8272.53 5677.06 4051.66 4423.87 6223.23 5473.8 5331.98 8203.82 4863.08 6041.02 5826.69 1473.87 10336.28 5954.22 10881.32 3875.19 14812.47 4652.09 4212.85 4586.09 4618.51 4183.29 4433.53 4234.01 4509.39 4535.62 4562.91 3737.83 4795.93 4357.79 4654.57 4710.12 4186.78 4910.59 4835.35 4535.75 4490.59 4438.47 4568.28 4251.26 4709.41 4250.14 6088.93 3069.38 4768.59 5887.15 5563.57 5514.68 6944.2 5846.92 5339.36 Deferoxamine 594.16 2042.58 277.9 459.69 739.37 1794.15 468.9 1072.47 677.98 882.56 1218.64 514.97 949.85 418.07 566.89 655.68 331.61 617.67 302.39 886.51 1185.27 556.06 473.03 726.41 595.59 632.79 572.11 562.05 440.18 643.86 514.21 1359.08 324.31 1995.76 627.13 3171.66 281.34 1667.91 467.27 764.68 3100.91 2865.1 744.56 921.29 3813.15 2868.07 3308.42 1162.42 807.48 1596.4 931.82 1208.26 920.66 1857.73 685.31 2200.4 1006.68 990.73 736.9 1966.9 1143.4 931.03 1485.17 3431.81 496.78 904.8 1196.07 1047.05 805.68 992.91 695.55 620.41 747.84 1259.61 1529.15 1504.64 1693.18 1770.14 1713.25 1692.38 1681.09 1780.99 1903.15 1591.6 24(S)-hydroxycholesterol 9723.47 60591.02 45420.19 73048.6 69410.71 96970.12 56123.38 41510.41 50688.81 45322.37 51872.32 89640.98 121706.41 103200.37 55904.14 78364.91 71032.32 100815.38 99396.8 81546.61 71157.87 50254.28 60723.81 42030.05 38390.02 73528.34 7822.47 59596.32 64455.87 76056.22 91108.26 78553.42 58907.33 62450.16 55761.11 71449.83 54359.43 85432.86 73567.16 56926.01 103637.92 113987.29 66487.97 70430.99 93664.46 67883.31 65812.39 80307.07 89210.78 53088.2 102539.47 114655.76 80467.43 107764.29 56591.31 83951.58 61440.76 52827.66 51905.6 45457.49 52056.9 44408.7 52398.07 52735.61 43254.6 75321.85 123586.77 73437.62 57811.96 33254.84 65531.89 58081.27 47291.11 98072.79 95538.81 83362.82 84731.34 85586.04 84778.18 88322.55 84738.76 86131.28 86702.65 84219.04 Nandrolone decanoate 17791.39 22771.69 8402.36 20926.07 75601.81 76109.74 15407.41 14632.92 22593.44 21276.29 9405.68 21911.63 31631.27 7282.57 10426.8 34236.65 13092.64 2166.98 19524.74 7438.09 28021.86 27642.05 10887.52 7273.42 28088.58 49236.33 8606.79 9358.39 13732.66 8932.75 20729.78 34783.99 29293.77 16095.19 16593.62 14324.03 28147.21 24381.07 8304.56 9708.07 12088.24 37475.7 6152.83 5322.81 8310.95 7777.8 19184.47 12890.47 6741.56 69805.88 18839.25 12676.97 2784.84 18555.06 21796.99 10486.96 18256.55 11247.66 28253.08 26492.41 11291.12 9062.57 22510.36 16266.36 10238.77 36152.55 42444.05 8225.75 9030.77 30196.32 35887.37 25011.76 16054.16 20666.83 23180.44 19930.88 21656.35 20638.69 19923.97 22019.09 20658.14 19980.21 20644.1 18196.84 Arachidonoyl-N,N-dimethyl amide 6253.86 5852.37 2134.59 5360.77 7396.18 6710.65 6048.77 4868.21 5464.85 2015.93 1221.11 1054.93 2824.6 3063.55 7024.43 7308.56 6478.51 7813.89 3962.35 7550.4 1866.34 1107.73 2523.05 1902.86 4535.49 6345.69 3487.45 3131.14 1159.14 3360.32 4243.59 6248.44 777.42 3061.86 4675.16 5607.85 3869.19 1142.11 2722.9 2148.59 5063.56 5750.41 2167.26 4492.36 4093.86 2186.91 6824.06 5941.07 1424.24 3451.11 1829.89 1595.6 2583.19 3276.84 6780.26 5520.2 4219.98 2637.44 3307.02 1988.93 2809.2 1903.76 6047.56 3045.07 593.51 4481.46 3120.54 4767.51 6918.63 8351.94 4288.29 4836.1 1479.24 2670 5439.67 3460.75 3549.28 3401.18 3481.38 3319.51 3297.25 3479.51 3292.29 3295.93 Anabasamine 19717.28 2555.8 2239.14 1032.93 3965.67 2439.61 4663.08 18023.83 17176.3 7484.8 5210.6 7194.92 5954.15 11317.01 16478.78 9899.13 2226.83 6500.29 17189.77 29981.36 11765.4 7942.14 1157.44 10087.82 3974.98 19329.88 2915.91 1719.47 23300.77 4275.28 7673.75 9714.57 10478.76 11739.96 9457.85 11620.88 13584.69 882.65 7656.29 3722.75 29806.52 17371.47 7495.45 6452.12 4702.49 13876.13 21568.61 11000.79 10767.77 6741.39 15106.55 13406.69 3893.97 14016.64 17896.46 2555.01 2966.17 3210.75 13066.7 5521.33 5744.78 3304.57 7998.9 1980.49 2361.61 11996.14 16210.23 9157.33 8330.34 21875.58 20611.15 8269.31 8365.91 734.68 9936.65 11259.14 11713.7 8786.04 11247.23 11334.38 11779.75 11734.32 11718.08 11339.98 acetyl-Tyr-Val-Ala-Asp-chloromethylketone 621.97 4178.57 7534.82 689.36 1202.48 1674.79 3572.96 3136.55 3956.84 3428.69 10315.81 11040.86 6694.99 9897.4 3536.03 11938.4 430.09 3097.44 11098.29 3963.74 1375.97 1418.37 10055.46 10824.42 2979.88 1170.76 11358.54 13523.72 2717.16 1301.06 3091.42 18905.32 2416.8 8351.13 9390.04 1501.54 2560.9 1176.65 10412.46 10877.52 1559.69 2205.3 14748.79 6616.37 4267.63 5284.48 5239.81 18110.37 9085.33 17934.71 1501.9 2074.03 12795.98 13043.27 3624.99 1325.94 6666.81 6256.89 1747.62 1044.8 8322.61 3069.87 745.23 10147.9 9964.68 5404.49 1509.15 11172.97 11530.85 3950.08 1902.72 8460.03 11523.45 11339.22 10298.77 6857.19 6679.26 6505.22 6759.8 7748 6496.52 6523.09 6836.57 5655.45 Pipemidic acid 16880.2 12625.43 2233.61 8247.15 26805.26 7227.96 14779.73 24004.62 22297.54 13537.42 16711.28 23727.08 21948.98 16099.33 22372.1 19111.28 15744.95 25945.37 22999.14 34323.78 19527.89 2514.75 8926.1 15452.66 7462.66 16135.56 18171.69 19379.72 41714.08 14630.35 29003.36 24555.43 11127.92 17887.64 17737.31 37343.04 16615.06 5325.72 16069.32 11572.11 46320.26 27387.03 16740.3 13752.11 32658.31 14180.2 37197.23 20091.38 19272.26 25095.15 20639.56 17103.5 17659.85 21225.17 15590.05 13537.42 7616.82 5553.79 15225.98 2721.09 12730.1 4258.83 14620.31 9470.35 6966.24 22739.39 24908.19 12718.15 17246.09 18095.08 13683.05 4820.44 11903.65 6717.95 17762 20572.03 20539.92 20577.48 19912.47 19961.96 21623.89 20519.72 20532.31 18278.98 Tetrahydrocortisone 9855.55 423.14 9156.85 31034.18 404399.47 88819.62 123907.74 1556.17 10706.21 676.55 210.64 7769.21 12848.51 10265.6 7098.04 12152.96 274.61 207.35 552.82 9832.27 1451.21 7528.54 15261.18 236.11 205.64 1037.73 11640.58 359.81 461.57 468.71 308.07 510.97 301.72 14865.64 292.94 13852.9 10072.1 639.92 12598.65 223.74 146674.57 5135.7 13986.49 10006.16 7898.79 7864.91 10881.14 18176.44 11697.93 654.59 263.38 16360.93 557 517.6 1589.77 478.17 26052.34 10317.88 1243.44 20161.39 19703.94 801.29 298.34 17943.83 10813.02 883.88 13275.95 10193.18 10912.77 14962.75 7136.23 571.66 12093.64 14181.63 952.25 25250 25307.28 25036.15 24767.63 25325.19 25330.29 25035.71 24623.26 26229.79 Dehydroabietinol 2786.24 3253 1410.13 1849.13 5841.12 7592.75 3580.66 4033.44 3963.84 2106.95 2303.08 2394.49 4905.76 2413.48 4236.45 4375.94 3365.52 2822.57 4588.51 6707 2927.46 3914.41 2683.71 2531.61 3392.28 2705.65 1865.08 889.4 5439.06 1752.5 2088.24 3686.9 4288.55 2711.19 3650.63 3330.43 2727.9 2327.19 1926.14 514.31 2354.88 3611.54 2221.45 1846.94 2528.77 3039.53 4962.25 4489.25 3468.8 5026.23 2741.61 4008.96 1374.23 3233.57 2703.1 3472.45 919.53 829.43 1944.8 1723.95 1759.46 2376.8 2735 2272.78 1353.46 3293.38 4519.96 1960.55 1999.73 2932.9 3612.95 2059.68 1324.18 2931.34 2930.72 3737.37 3479.35 3332.76 3476.82 3429.53 3443.96 3419.6 3448.75 3414.79 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one 4567.57 1017.71 4142.98 1943.97 3695.5 1264.89 1002.58 3745.5 3826.27 2977.94 1840.63 3932.81 3979.08 14126.09 3361.57 3592.04 973.19 4225.92 2865.03 3378.33 2212.42 10721.06 835.16 1337.19 4079.21 5406.34 1024.49 3725.38 4378.81 2472.28 5479.15 3734.5 3255.15 3328.51 4650.57 2524.13 4987.73 4357.24 3960.02 2551.3 1460.72 7154.71 10614.6 2743.63 6029.62 917.32 2685.73 6505.6 757.53 6858.77 4243.5 4121.13 5044.6 3403.84 2168.18 4021.26 2336.38 3023.86 2313.97 2509.84 2663.64 1663.39 4046.51 3242.38 3502.86 4018.51 2163.61 745.06 3429.28 2232.35 4176.05 3537.34 3410.51 1887.95 4060.87 4840.42 4406.9 4555.81 4859.15 4693.97 4297.17 4770.71 4579.69 3719.93 Ropinirole 3852 8574.78 3150.66 2836.04 10778.01 5702.22 7251.56 2572.99 1240.86 3675.36 1247.08 4263.49 18335.32 4217.28 9489.47 6973.86 4366.88 6110.81 4249.42 2159.15 4540.23 2312.03 3603.37 2923.48 6044.23 3244.07 4324.37 2341.55 4121.57 4327.5 693.26 4355.48 538.43 2786.84 1633.02 5034.94 4799.09 1631.83 3565.54 5665.68 3657.15 5697.32 2869.46 3807.16 1540.64 3501.24 2567.54 7159.02 1767.2 6239.54 1467.41 4929.79 3050.54 5304.48 5601.06 10019.28 4964.96 3926.32 3106.27 1250.67 3939.28 4939.34 6428.43 2824.17 4170.97 8490.19 1778.77 9781.27 8860.14 5426.65 3399.35 2908.99 2988.11 4006 7016.19 4869.67 4591.53 4636.26 4617.51 4529.22 4640.3 4580 4583.57 4530.6 11-Aminoundecanoic acid 2592.22 2520.27 1586.35 2503.26 1783.44 877.07 2646.84 4485.36 2195.9 2349.62 3295.41 1171.88 1651.48 2416.83 2235 2072.89 1994.98 2918.41 2729.75 2943.22 2784.86 2025.67 1404 2099 2070.88 1791.6 1458.48 1940.73 2051.43 2144.9 1942.38 1985.35 1378.01 2295.76 2253.45 1724.87 1804.84 2139.64 1703.72 1914.36 1869.36 2073.32 2391.36 1658.99 2094.23 1526.19 2521.29 1944.6 1830.1 1952.6 1603.91 2509.15 2088.72 2014.24 2683.17 2142.35 2083.9 1872.33 1773.97 2048.11 1854.85 1053.7 1944.78 1408.02 1895.85 2192.17 846.27 1596.4 2118.44 2263.22 2760.14 1887.56 2217.73 2651.23 1521.11 2124.71 2296.31 2127.96 2140.61 2073.8 2088.31 2103.46 2069.27 2086.39 cis-5,8,11,14,17-Eicosapentaenoic acid methyl ester 8082.12 11153.99 1851.06 4170.7 16971.74 6793.36 23110.41 11008.52 16848.61 5928.67 2823.16 18518.5 2116.2 2650.32 21285.04 1600.73 2199.55 5597.99 4683.37 6849.46 22375.31 8165.32 2762.66 4237.15 18764.06 11786.45 3381.97 1182.85 17549.39 2366.42 7706.53 9270.73 29364.41 5993.53 915.45 13022.66 12210.98 17365.53 2946.41 1154.41 10312.92 13229.16 4549.55 688.4 21089.93 6476.66 13325.75 15799.61 6573.1 3384.21 14582.14 16496.05 13503.22 5394.09 15677.84 23533.1 1358.48 760.14 20292.02 12968.33 13603.98 3872.74 19987.97 4828.08 1672.05 26623.3 40162.36 1338.19 1764.28 20713.11 16735.32 580.12 6621.41 565.49 8455.96 9041.01 7946.19 6907.63 9035.67 8949.85 8546.71 8611.57 8422.27 9026.09 Gly-Ala-Ser 2536.95 1460.07 1422.73 685.51 4455.29 7458.57 4368.16 5380.01 2361.68 6539.07 1587.01 2157.13 2015.55 2754.29 4293.41 2903.81 2120.98 2585.72 3638.27 4775.01 3729.63 5326.7 3081.49 1729.34 3259.8 5408.53 1792.21 3204.45 7291.38 2691.56 2252.58 5671.84 1930.06 2586.67 2141.65 2400.91 2526.82 5461.53 2466.08 655.83 5732.7 3885.45 3124.54 2530.27 3388.06 1878.22 2230.21 1620.51 4497.56 5823.68 2604.89 786.04 515.13 1898.95 2595.06 2485.12 556.37 528.22 5676.11 729.57 1164.12 2072.31 2925.44 2997.39 2725.52 5632.24 1721.87 4110.21 2366.67 2900.45 4282.94 3115.18 2885.98 1982.36 2100.3 4444.24 5724.61 4571.74 4902.65 4795.63 4536.83 4686.08 4530.28 4979.39 Ethylene-glycol-salicylate 291798.88 271892.16 308130.39 287603.24 295401.86 219385.04 151532.57 209977.16 328648.93 313085.89 92287.02 278451.84 296541.3 308416.65 296335.78 297247.79 268871.34 298109.52 328190.4 285716.31 161297.32 234508.14 281110.38 294866.16 310838.41 303554.98 311918.14 310776.33 322935.34 258407.2 266744.82 303240.66 265709.88 315418.58 296086.98 306355.92 303626.37 170674.24 280883.85 258116.36 240093.83 271964.54 297493.45 280398.58 297588.31 241322.84 307404.32 299922.43 220110.53 255186.92 232156.25 262373.02 274345.93 243101.37 126178.36 280280.76 277269.24 256564.45 276671.95 197409.82 259902.98 251500.09 252168.96 271473.79 295955.51 273232.18 251955.69 292296.73 265626.14 293776.48 264608.29 252890.67 181296.25 214516.49 249888.12 265983.86 265190.35 263418.9 265199.66 265443.92 265195.74 265266.77 265976.89 265977.1 Cefadroxil 4052.79 1143.48 15816.67 17903.52 2365.13 859.3 4107.35 12327.6 5099.22 560.09 2641.99 4609.04 3345.87 4265.71 1113.6 7335.93 621.41 13069.12 4027.14 1563.23 9033.76 2142.09 2685.79 3833.14 3438.4 873.51 4100.65 4337.29 8711.97 1743.98 14997.92 2624.69 549.32 1393.73 5382.37 6437.21 12745.9 3107.74 783.26 1841.31 7665.64 4600.82 3683.7 4175.08 9537.98 2619.49 16917.19 5176.7 2997.88 4007.84 4061.42 4206.76 1342.81 965.06 7801.38 4389.22 4404.78 952.87 10119.6 2944.45 1233.01 860.14 2893.82 956.64 3497.93 4961.24 8054.09 2013.89 3857.74 9471.17 8359.13 1527.87 4457.45 5252.15 2194.65 3591.05 4012.1 3750.32 3539.97 4165.95 3495.53 3562.74 3632.08 4196.11 Phenethylamine 535.41 773.27 553.62 804.21 1584.75 689.76 426.74 1617.34 513 1522.95 1990.19 619.57 2016.17 2211.53 3907.2 2792.18 1651.49 1061.81 1578.93 637.85 1109.71 1476.19 594.08 484.05 1389.99 1517.87 2585.05 777.39 891.4 1145.38 746.34 545.68 1258.76 2016.79 1717.93 1836.28 1562.78 1180.64 1919.29 2255.5 1042.82 1344.36 1774.17 1413.4 1488.47 1489.99 986.94 1367.07 2025.93 2033.68 1756.67 1109.96 1470.3 2767.68 2597.7 1464.2 2256.74 2260.6 1017.6 1550.67 1959.92 1110.24 2898.29 2549.6 1164.21 2375.94 1328.81 1736.14 1921.76 1329.89 1521.22 1408.78 1891.41 2994.14 2230.37 1642.52 1819.19 1804.75 1789.27 1635.35 1830.11 1825.4 1824.16 1768.26 Hydroxyvalerenic Acid 30860.69 40064.77 25806.71 27614.52 37982.15 62611.46 36207.27 35420.81 1005.38 33492.21 23054.53 12415.75 3051.51 22218.68 35453.65 13923.83 19621.26 24574.32 16549.71 12552.92 10847.88 29834.12 26181.22 28423.59 36610.16 41779.6 30370.64 1869.66 21081.92 1740.34 8982.21 29719.08 22421.4 38747.85 28844.81 33644.09 33501.48 39950.91 29236.95 23801.22 18362.99 47825.64 33685.22 22347.64 26314.57 14921.93 29802.01 26650.03 20321.23 22220.78 31826.35 43412.77 37597.53 33847.98 29902.2 40769.12 20402.25 17603.68 27833.51 28812.32 20605.87 25188.15 30252.22 28066.09 19425.52 40346.05 12730.47 17360.61 20567.13 32330.97 19077.29 33389.52 25325.18 28470.06 30496.88 32100.01 34551.32 45696.27 38958.51 28162.23 39344.75 49689.72 42165.31 35321.65 46899.45 66417.92 35134.97 37742.83 40888.2 43494.28 66575.61 49638.26 43412.09 36833.28 46715.42 60859.5 55060.66 47478.56 62987.83 33468.9 27252.99 26975.97 27254.8 23796.05 26528.06 27664.15 27284.98 26577.04 26864.31 N-Desmethyltamoxifen 1529.22 81.37 180.72 47740.79 140682.31 208931.8 167984.33 1341.62 177.25 100.31 758.72 1527.8 16286.47 2248.3 232.39 16646.91 3155.45 261.87 381.69 97.25 1681.15 606.57 4674.44 136.65 2057.6 973.86 408.22 304.2 2046.73 1027.6 86.51 3916.45 342.71 1140.53 1010.72 6811.42 229.86 3644.61 863.02 464.91 68719.5 5804.06 180.31 3491.45 4136.4 11108.94 6451.15 6728.68 160.04 1570.99 2574.41 484.28 1475.66 2322.23 3817.52 4150.04 6075.42 3130.22 2200.01 12097.21 101.45 6286.92 166.32 1149.93 4211.3 2727.05 4280.12 854.44 600.09 4766.87 160.5 1176.86 81.9 910.32 7634.2 15087.53 15058.26 15076.83 14973.07 15076.75 15073.96 14975.2 15058.26 14946.74 (Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide 2796.03 2575.8 6459.96 4389.9 11510.04 4886.33 5669.54 3975.5 5825.45 2310.8 2096.8 3343.48 3690.22 960.56 3717.04 4195.64 1839.73 1494.76 7563.19 8699.17 4846.79 4131.91 4417.82 3433.34 3747.6 2209.17 3675.61 2000.42 8195.54 2600.15 4112.74 3966.43 2383.03 5302.69 1898.86 4201.75 3221.08 2791.59 2132.35 1990.64 2528.44 4053.97 4325.22 594.61 3310.79 2617.83 5480.07 6592.51 4389.06 5372.16 2937.88 2863.56 3396.5 4135.02 6137.63 2126.7 1210.64 1296.03 2641.14 2997.2 2066.18 744.5 4548.49 7195.2 1883.36 4480.69 3668.05 2098.8 2717.78 3347.14 2594.7 3693.09 4844.94 3037.72 6691.97 3476.31 3673.43 3616.38 3613.36 3719.02 3623.78 3878.95 3624.33 3655.74 Phenthoate 32049.51 31381.08 39788.39 31376.9 33456.27 15653.87 18286.91 39838.5 38118.45 29109.28 5691.2 25201.37 25882.15 29710.34 27870.1 22959.71 28500.43 27892.04 35231.3 21927.19 27009.3 14645.22 28352.36 35755.08 41519.65 46978.33 40195.92 39268.9 38055.03 23169.51 23760.48 34154.83 20293.64 36271.29 28410.45 47462.79 25997.11 9508.65 29959.84 26747.72 18903.93 19288.68 32956.06 24797.95 32890.96 17853.33 39360.17 36033.26 15107.28 20481.41 21670.23 22110.1 25963.55 15274.16 21395.38 30395.04 26430.64 22509.9 28302.66 11431.41 25596.81 26201.91 26833.46 27632.6 36218.82 36245.06 21015.73 46437.48 30804.08 36614.36 28043.52 24336.94 10670.28 15668.03 26337.37 5972.83 4805.69 5142.4 2655.64 7545.86 8190.31 3490.81 8181.54 14769.34 7711.33 14948.82 7189.9 3163.31 8739.13 4584.53 6839.51 3573.59 2544.9 10037.4 8463.5 1826.83 7456.36 5705.68 31007.72 29775.55 29292.41 29802.88 29294.29 29745.97 29202.87 28404.03 29373.31 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one 30487.01 31062.8 37048.38 19355.64 37135.15 4561.04 30472.51 40440.73 50385.65 33492.97 30723.03 19636.32 31203.4 26346.52 34257.14 32066.46 30311.34 16875.51 53794.84 29437.79 37709.91 13371.38 39176.87 38905.06 45460.21 24874.59 45444.29 28324.74 35985.72 12580.96 14872.85 33423.16 26921.79 39050.88 34988.26 45319.51 31519.36 11330.21 31150.49 26330.45 21710.58 34689.52 35795.7 19992.21 34816.71 25424.74 37370.91 36481.86 59449.94 38717.6 30417.83 31470.83 32673.47 32964.97 36860.35 33364.88 27999.82 24264.28 26290.91 11016.99 34037.78 26013.09 45615.93 35069.54 23191.4 33344.26 23883.36 30971.47 21162.7 44638.08 43170.86 35096.46 28647.24 32152.27 37868.82 34819.17 34786.71 34870.65 34867.84 35221.5 35207.93 33155.13 35205.6 35209.21 Tetraphenylphosphonium 2955.04 8748.72 4310.33 4693.17 7500.4 13723.6 477.89 1574.43 13799.42 3927.88 7317.16 7158.62 13171.9 4577.76 5550.4 2419.24 3927.84 5270.32 11689.47 11737.27 9159.99 8931.59 3344.75 8823.83 14699.59 5671.14 7746.71 4517.1 11886.26 7747.96 12733.18 7387.45 6756.2 1410.78 784.74 6014.08 6827.99 532.58 4231.93 1955.98 988.18 1674.27 4176.62 968.47 13591.87 11137.17 10827.73 1482.45 2767.02 3788.36 2989.15 3979.29 4428.51 3836.66 6535.35 2331.15 1263.81 2897.81 5302.84 6810.49 7630.96 2042.48 3032.72 1253.77 1404.23 1297.25 8035.25 1832.81 3846.42 5733.25 4007.05 8006.38 3399.93 4328 1154.02 4589.08 5344.32 6254.89 5690.36 5675.11 5803.49 4791.32 5727.32 3375.53 Senecionine 3291.71 2755.08 2471.28 8477.68 6175.7 10766.31 8223.61 3623.3 5087.06 1859.54 4923.1 964.81 5259.41 5388.8 6779.66 4440.68 8592.3 3288.53 8845.96 9786.34 1785.71 6724.19 2790.24 2756.14 2810.55 3353.89 1062.14 4545.3 6985.62 1241.36 2338.38 2582.32 5889.49 6301.43 5806.94 1423.87 2408.16 2679.3 1199.95 5037.32 4139.62 5471.14 11268.89 1166.04 5911.02 5289.19 15730.6 14733.92 4528.22 1818.68 15197.63 15043.87 10457.05 6669.1 5340.65 7459.05 5228.34 4472.49 3587.62 5855.46 5239.71 14214.19 6830.59 7018.6 7676.05 5279.1 11430.17 4884.01 2839.69 3740.68 9539.82 6445.41 9285.56 12155.24 3923.89 5788.78 3973.98 5347.79 4963.53 5494.39 5070.54 5371.74 4512.14 5071.8 Glu-Thr 4010.39 3015.15 10183.45 4497.35 2864.89 871.14 3674.75 10227.2 7508.62 1968.31 2240.08 4244.03 1753.5 6803.68 8282.32 1503.15 6616.26 12250.31 3872.62 8954.85 12340.58 1080.1 2951.1 6835.81 1284.89 3534.98 2434.15 4217.65 2525.69 399.63 15568.23 4606.25 5777.45 4515.55 5840.3 4100.59 5086.63 2322.29 1290.5 3946.1 3460.73 8186.19 3658.25 4085.75 5251.67 4121.72 1280.27 415.8 4360.2 2361.02 4598.07 6397.69 1264.51 874.02 6349.28 5211.01 2172.8 3012.88 7111.65 441.72 1808.19 2331.78 1731.35 9019.16 10900.65 6720.99 6589.09 4897.78 1747.63 3608.66 6091.04 2307.48 2576.81 5551.05 4727.56 5417.2 5430.42 5931.39 5759.31 5890.31 5837.82 6733.76 5488.62 5575.66 Ala-Ser 25415.27 13596.38 51853.57 32177.15 23927.91 19227.2 43973.75 21366.63 19945.57 15601.59 15507.85 13167.78 14992.13 18148.57 11292.86 18875.04 16083.19 21843.81 11803.69 19264.88 30901.74 11964.15 26985.28 21529.52 20149.88 14146.9 15958.88 29837.68 14663.6 15137.54 24098.64 15618.34 9769.45 26460.08 22608.58 14397.4 20968.57 14684.74 24660.09 17936.86 12586.48 10169.42 18775.53 15098.41 13219.52 57912.23 14423.01 12565.75 16072.99 17409.63 24966 17557.13 25524.15 27304.88 15433.2 10919.14 21358.18 18784.78 12793.42 16976.32 22217.02 15965.75 20370.91 26751.14 28216.89 16843.21 12341.73 16694.99 14906.36 20358.21 13097.38 12324.05 20786.42 18404.75 41983.54 19029.75 18979.35 19632.96 19288.63 19458.5 19504.32 19311.73 20163.28 19708.72 Dapiprazole 1105.52 606.3 4429.16 6295.32 1727.02 1375.18 6842.03 2044.22 1449.81 5702.51 8320.34 10024.83 9561.55 7156.65 4379.08 3417.49 9509.65 2920.38 11489.61 2675.12 2699.32 2950.6 5623.49 6824.41 1742.36 4781.18 6835.27 4589.59 12503.82 3200.45 1336.55 11396.4 1119.06 7300.46 10753.79 2995.53 1916.6 3333.76 8710.77 6637.06 3755.43 4391.06 7577.93 4962.02 4073.44 6872.29 4508.52 8202.41 7911.61 19185.29 4093.19 2419.23 6730.5 9514.9 708.73 5088.76 5938.5 2392.4 5121.18 1835.63 5322.99 5656.11 1526.46 8895.65 8418.79 3598.59 2770.64 3367.15 5772.56 2638.6 4742.3 5203.12 3031.6 8472.77 7875.03 5941.34 5910.06 5929.97 5712.58 5790.65 4363.46 5736.28 5727.93 5924.7 Skullcapflavone II 1781.39 1489.69 896.75 3987.44 7418.33 1783.63 5759.92 1598.83 1523.55 1309.71 497.09 1077.61 2056.24 825.64 1366.13 2851.74 5157.85 901.14 1650.97 1367.42 1368.6 1801.58 1996.34 702.43 1556.7 945.13 1223.83 475.39 1330.11 2328.67 908.65 1855.04 802.53 3379.63 4622.7 3083.18 1276 778.45 3814.69 2716.56 4507.46 2124.4 1705.85 689.97 1515.82 873.25 2113.36 2802.26 4807.02 2318.06 1362.86 1519.03 2557.13 424.02 1290.19 1905.19 552.27 1863.72 2323.11 3325.35 2231.45 2018.23 1741.02 1061.13 1349.28 1925.9 923.64 1660.52 1234.1 587.13 1575.76 2084.4 1666.11 5428.11 2803.65 2852.08 2307.67 2250.85 2294.2 2438.21 2575.87 1962.06 2145.88 1265.09 4-(Dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide 13783.1 16123.38 11711.92 11732.22 2285.62 5243.34 14795.09 19707.99 12460.7 6757.68 13113.94 4156.86 5673.13 11071.63 11270 8326.26 10538.64 9528.42 7006.52 15727.36 14724.34 6802.79 4897.21 9642.38 3906.79 17102.07 14738.52 9484.37 9128.59 6800.03 8315.64 6286.08 9697.35 11863.07 8757.02 6665.98 12357.53 5756.56 9193.72 11188.52 7784.34 2056.62 8498.47 7859.42 7227.94 7276.38 9201.69 2593.21 15856.41 4497.65 14518.3 7852.8 5204.56 2590.57 16433.6 9916.85 11748.59 10395.26 7158.14 11975.63 13735.82 11236.66 14904.28 15936.15 10859.93 11634.63 9831.62 11190.83 15408.94 11473.89 13268.98 7159.41 16368.93 15794.79 8268.11 6875.68 6518 7293.84 6853.09 6367.22 6811.92 5219.23 6375.05 7770.59 Methyltestosterone 3018.74 887.49 610.45 15638.54 2487.27 6376.75 1584.04 4706.77 2481.36 2440.63 1272.9 3537.37 1466.06 1044.37 3535.56 633.58 13130.25 1859.97 2312.59 5224.4 9349.46 2669.69 11845.4 1769.89 7103.47 683.39 681.25 2323.92 1499.17 638.23 1141.79 509.01 2118.24 2224.74 689.59 4143.14 6274.78 5266.56 2176.34 2960.93 3390.22 5532.24 564.95 2062.74 5035.06 2307.07 3947.02 4564.74 2447.88 3507.35 4339.01 2929.42 1997.99 626.61 3240.78 2987.39 1340.19 1156.63 5420 2838.6 558.27 2109.27 2944.81 1766.76 2538.22 7657.37 5205.22 2672.04 626.89 5481.59 3998.7 786.38 3033.93 3390.83 2276.32 2803.83 2880.09 2763.81 2885.76 2740.03 2871.08 2768.32 2874.05 3169.96 Sufentanil 10721.16 14115.15 6168.51 6801.29 15365.59 20873.63 19230.19 11891.02 17396.9 16389 11392.15 4882.98 1321.29 4735.11 14293.42 5321.44 9907.8 14652.07 14892.23 29867.15 15019.2 12620.84 16267.39 11249.66 11775.42 15329.58 15518.35 8709.15 4545.47 6839.26 17949.71 13685.91 9195.89 19480.17 9238.95 4946.16 16181.37 14650.46 13269.94 12568.75 29646.16 1959.63 10560.38 9716.08 24041.51 9377.28 5365.58 4656.7 5517.38 5037.9 7247.77 16196.38 10778.56 5732.27 11660.87 14142.74 9137.69 6164.12 12211.51 13011.75 10966.1 11130.34 10583.6 11625.59 3566.81 16688.68 19587.88 7455.15 9395.28 15183.53 11678.58 17458.88 12412.33 12328.84 12042.73 14161.78 12674.91 13861.47 13846.01 13839.11 13861.63 13829.25 14201.48 14190.55 24,25-Dihydroxycholecalciferol 2623.78 3320.41 4269.9 8491.34 2371.21 1846.44 3533.85 5432.64 4384.63 1891.11 3370.92 2964.28 588.05 2009.71 607.55 2108.28 3619.14 1470.67 4047.11 1420.14 2114.97 1157.91 1091 6990.62 2987.49 3001.14 5542.41 4003.14 3513.36 8543.61 6765.07 4166.61 824.01 6887.4 5109.17 4974.01 5819.1 6208.9 3810.66 5129.54 6992.15 7251.98 4936.33 5400.87 3982.12 3185.51 3156.9 5052.98 695.82 6432.48 3894.26 4232.14 4534.67 4901.62 2409.1 3046.36 7005.25 5835.76 4902.73 3564.37 1220.27 4850.02 5886.34 5807.57 2826.58 3312.16 2469.63 4532.79 5758.47 4972.35 5631.31 6494.38 1234.18 1973.04 3413.5 4838.73 4438.29 5020.66 4462.77 4331.54 4482.37 4953.97 4574.91 4838.76 3,4-Dicaffeoylquinic acid 1321.4 3705.48 1006.97 1064.15 1615.21 1107.25 962.24 908.24 3527.27 881.52 1596.28 1238.55 1003.71 980.28 1317.71 1029.19 1522.73 769.58 704.54 974.68 450.43 744.87 1035.24 1469.53 373.82 3067.99 513.71 617.95 792.37 889.72 1519.09 599.52 1074.39 770.68 397.81 1075.25 1608.47 600.24 643.51 4260.58 1339.47 711.75 1046.42 589.81 390.42 738.05 1908.54 1323.18 1577.37 3288.34 1142.55 1399.14 876.51 950.73 1761.09 1898.39 1018.82 3363.69 488.84 379.83 946.11 573 1773.74 3370.56 3040.63 2417.35 2986.71 2015.92 1721.48 2547.9 852.92 2462.49 959.36 2566.03 4299.48 1626.02 1435.23 1665.05 1489.15 1477.4 1835.37 1631 1481.84 1674.25 Soyasapogenol A 1460.83 22425.4 2271.84 14220.69 15054.38 3074.84 20870.05 5147.42 19851.08 21872.02 3530.88 13883.85 19423.74 1671.55 15059.18 20760.46 26782.9 14286.77 30664.83 22218.98 17290.53 8770.03 12133.77 15375.67 12043.49 15971.7 25100.62 16531.43 22491.43 1720.29 13191.62 25467.14 15327.01 9759.73 8368.29 8594.41 13529.28 7083.64 10809.11 16291.91 13283.44 13560.7 17004.72 12819.79 16353.18 11498.71 10916.12 19283.56 21297.22 18162.77 6498.42 15681.07 16842.92 16391.91 11207.94 24123.6 10519.54 8612.16 14898.07 8056.04 11586.1 16769.19 13035.57 10158.63 9992.73 14717.37 29585.09 17156.77 16226.27 13355.57 17179.18 11786.13 10842.78 16259.77 21390.65 14540.58 15018.03 14656 14681.84 14681.75 15013.25 15043.95 15011.78 14689.47 L-Asparaginyl-L-lysine 580.2 779.72 522.51 318.34 103 328.12 272.85 638.48 391.39 561.96 645.2 604.07 400.08 516.01 710.06 289.59 479.07 797.97 537.85 578.76 633.87 565.46 547.78 379.79 428.63 699.47 523.43 564.93 372.18 420.75 983.19 529.94 675.75 611.9 430.09 668.35 699.5 843.28 681.91 555.24 442.51 784.04 569.05 649.44 496.26 205.2 518.16 471.12 185.34 755.66 569.89 612.5 531.39 467.44 407.17 549.93 573.17 594.53 562.3 389.5 624.92 563.25 407.98 426.04 657.44 425.23 785.25 636.61 677.32 629.35 904.87 567.15 436.9 418.12 530.95 6394.09 6182.49 5710.2 6320.24 5267.05 5041.93 4727.04 4037.37 3532.53 4667.35 4158.43 3495.14 3274.91 2766.98 3546.26 5266.98 3567.49 2909.86 3292.01 2879.81 2799.84 3538.99 3307.99 1886.58 2344.05 3391.68 3830.64 3845 3921.76 3899.13 3954.65 3837.26 3907.41 4087.67 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 2954.36 1515.25 5636.9 1792.62 1154.78 1019.09 1164.91 11276.85 8965.21 4381.33 1627.44 3874.76 343.14 1152.69 1118.24 915.45 919.88 2077.55 3111.28 1677.78 1413.16 785.87 1185.92 1696.87 1906.76 2221.64 601.08 1430.35 1888.17 1389.4 1383.85 666.75 2849.24 6991.97 7737.88 10420.06 8284.81 759.93 4388.22 4017.4 4015.12 5153.78 10177.01 1463.73 3880.92 5288.68 7885.35 9623.05 9606.23 6675.42 3858.01 5363.23 7949.57 9345.26 7577.08 3840.37 5814.96 2681.63 6167.99 686.62 3453.18 1789.4 9732.36 19034.51 4182.7 5153.88 1728.24 2003.2 1387.82 12864.09 6989.05 5612.98 10331.72 7946.97 6765.1 96948.62 722.26 1478.76 30583.32 104146.3 113008.84 110153.47 104415.67 129724.58 38586.91 43339.77 107938.72 119345.29 118868.66 94617.65 49261.37 106693.46 111900.07 68570.5 6122.02 6187.94 6843.7 6139.98 6168.77 6355.33 6128.92 6176.8 6121.26 Inositol 1,3-bisphosphate 60230.83 47664.42 47475.61 51253.59 56615.11 43790.14 49865.88 58995.84 60476.22 77915.04 29127.27 62243.62 70772.58 69385.68 62415.23 53338.22 45453.9 55694.72 65147.93 52041.66 39658.19 34936.03 45014.14 61468.52 56575.07 54958.93 56117.13 58625.48 62672.98 47200.71 41567.59 43486.53 54434.69 63820.71 49279.6 57886.94 53623.58 34212.63 62404.16 50050.08 55044.2 68732.32 58990.08 56814.09 51661.41 48628.26 53729.94 64551.97 69796.43 61200.04 59269.68 67908.73 64476.54 47446.46 54312.08 60245.55 58614.12 48663.56 58345.92 39949.75 65143 74116.1 57284.2 39145.19 43888.16 69878.75 46520.47 66053.13 62712.27 51882.99 53453.82 53718.11 38006.14 47844.36 43075.7 58449.9 57772.98 58447.66 57983.92 57350.22 57850.75 58730.09 58648.38 59226.51 Esculin 6755.7 8967.79 13318.96 12498.18 10314.08 3232.1 12349.69 9127.06 8035.14 11443.68 17476.02 11978.24 10423.5 11822.15 8482.02 16729.62 12102.73 2289.96 11936.86 9787.63 6473.38 7641.45 9729.93 15579.39 8922.72 7882.81 12381.11 14199.17 9766.47 12171.28 4127.4 14521.54 6295.88 12810.9 14683.31 4929.95 10565.9 8157.82 12290.76 13292.58 7644.37 11958.2 14465.05 10351.77 7931.8 12758.22 8447 11369.84 14665.04 13568.52 8987.35 8499.04 14917.62 11761.81 8438.84 8671.48 8173.71 11012.64 11879.75 1374.88 11192.62 13439.89 10554.2 13376.19 12057.32 9086.34 11198.11 12252.66 12499.47 6040.72 7574.44 13577.73 6947.03 17200.69 14044.93 11198.79 11507.98 11514.49 11505.73 11009.06 11217.75 11534.48 11080.73 11604.34 Clonidine 191.48 343.78 5050.35 1690.83 982.58 4436.29 1275.14 676.36 1431.89 395.43 247.85 1128.13 242.02 259.84 811.39 483.18 1270.59 403.75 254.96 419.99 289.13 3475.13 235.75 351.47 591.27 256.33 255.17 287.23 525.93 200.57 376.42 1456.31 811.72 2020.05 470.95 285.9 751.92 6087.16 1173.93 284.55 283.42 288.36 328.94 766.49 582.11 319.34 190.65 1500.33 341.9 199.24 204.28 373.52 517.13 227.01 537.37 601.52 6451.63 9680.54 660.08 10042.58 1159.56 1370.11 447.9 579.66 788.61 732.55 618.4 418.34 334.21 618.72 422.91 336.35 764.81 1828.34 333.55 1927.48 1551.18 1783.04 1624.8 1548.87 1476.62 1590.39 1378.48 1375.33 5,8,11-Eicosatrienoic acid 3230.48 2904.61 3543.54 4060.3 559.51 636.01 876.11 3441.54 1114.07 3127.51 4004.14 3382.41 3891.39 3522.32 3356.06 2349.68 3208.66 4121.7 4424.52 4204.75 4186.37 5459.2 3817.04 586.15 1299.57 3648.66 3570.1 3532.28 2529.75 1558.79 1117.7 3225.65 4586.07 2901.72 3426.38 2566.74 3487.27 4024.09 3598.06 3835.03 1510.8 3531.38 4403 3746.05 3643.1 3203.72 3466.81 3273.97 1691.51 3587.86 2389.92 2886.21 2169.58 867.79 1542.6 3232.75 2198.63 1959.65 2190.84 1976.8 1778.5 1070.99 1711.15 1940.45 2515.7 1742.58 2866.59 1643.11 1763 1765.75 2472.47 2624.01 1791.99 3392.29 2030.34 2167.21 2165 2318.56 2355.98 2316.34 2193.88 2223.44 2189.27 2949.03 Kenpaullone 81566.95 86833.45 77461.83 79584.13 50816.01 63694.72 71594.9 111782.22 68083.89 73560.58 113649.06 52378.23 44038.87 73564.11 64171.94 78775.61 68926.17 94526.42 65757.14 70753.06 75581.14 48928.96 45623.49 75184.78 73883.22 75390.55 77569.66 78007.58 68414.54 77389.69 76617.68 66665.67 55193.58 101710.29 74861.23 69083.52 107307.36 105162.86 77464.19 87808.85 66570.58 95801.24 74694.3 75590.63 66354.05 67381.17 91520.62 77110.96 43119.51 84760.46 101740.13 75837.63 103375.52 68063.87 87619.92 70321.12 80282.42 82413.64 76299.83 75504.74 83468.12 74209.41 77703.28 77154.83 84604.53 74850.4 104308.09 85470.42 113352.43 100966.35 78996.94 75688.17 67063.84 62684.86 42450.07 78374.35 120179.66 73698.78 76412.52 72075.36 74388.1 77031.72 71106.37 72733.78 71565.59 93941.23 73002.23 70596.94 72241.9 97481.67 78986.92 79825.87 71809.27 87712.92 72099.12 70802.71 70674.09 69103.37 71148.13 68998.86 81172.15 84690.4 82906.88 81181.03 84355.03 83122.18 84304.06 81179.72 81190.33 (2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal 25903.59 8342.14 3363.84 3092.37 14166.76 4996.73 4224.1 45369.34 29922.17 12278.24 8215.21 26784.53 6649.02 14624.95 11582.99 19240.35 10178.46 22497.91 12124.03 33598.1 22394.69 6537.37 6633.14 527.87 49759.4 14765.96 11388.27 31989.67 55309.13 47455.47 58502.32 20076.71 6850.69 1088.38 5717.7 61458.3 34441.11 646.7 9667.69 20068.33 51007.77 33674.16 10885.58 9740.83 38058.32 8241.61 63990.26 17352.33 34548.32 43348.64 17350.14 7048.05 6854.55 11933.15 18142.95 2736.91 1930.5 1371.89 15802.4 6656.01 4573.41 2131.4 5866.1 7620.83 16451.92 26270.3 14789.33 24429.39 39458.44 26721.9 21878.88 10298.29 29751.87 9397.55 12140.63 23614.03 22922.38 22930.63 22521.6 22669.45 22667.92 22933.25 22924.96 22597.09 Streptovaricinal C 3299.66 664.87 1027.27 5799.9 1691.13 4168.53 4907.88 891.83 2398.94 1242.04 4481.71 6164.77 5909.48 2242.34 3580.14 1707.85 5053.55 1990.49 1319.64 6672.99 2459.54 3000.87 6575.86 7669.36 3058.94 994.57 10757.77 8398.39 6350.35 2096.35 1215.45 1229.61 923.53 5916.79 6422.32 2485.81 574.51 2524.68 5786.4 6264.37 1924.88 1300.11 8058.2 4661.8 1341.67 3491.58 1327.35 4802.54 3179.29 8657.13 2131.5 1965.79 7659.84 8680.9 4768.87 1335.85 1012.55 3495.51 3603.97 3062.2 3994.31 4139.21 5568.77 5873.9 4882.72 1418.16 2501.1 5608.59 5751.33 3764.82 2291.25 7278.76 3229.34 8801.73 6702.27 5870.74 2705.79 4666.26 4894.74 4376.11 5057.32 4881.73 4995.69 4993.89 2-(2-Naphthoxy)propionic acid methyl ester 20038.42 29871.72 9998.7 20918.85 20394.43 16656.27 3747.08 16322.3 22410.85 8835.12 3767.66 9589.7 14269.87 10468.42 22096.69 14625.43 10849.81 29744.62 4510.37 20292.84 17311.1 15943.74 7730.14 12257.5 25534.49 26151.35 17844.97 14134.99 6047.51 6430.76 7672.71 21806.1 16594.25 20228.34 7318.83 11685.51 24775.04 25785.8 13401.68 16601.56 14964.13 12948.69 12620.45 6512.09 11372.26 20858.32 10437.15 5244.94 4830.84 14591.53 13835.17 16573.81 10712.37 14899.84 17854.61 14845.61 13718.14 23334.45 15330.58 11417.33 8651.7 16034.14 6471.13 3221.02 11365.76 10709.04 15259.81 4328.03 4140.17 21344.12 18360.29 9320.21 6386.51 18439.61 10016.56 11401.6 9945.11 10263.42 9259.56 11560.43 11053.92 11630.34 10625.94 11664.87 Dimethindene 2478.26 2059.33 4407.34 2079.36 8808.86 9365.3 1498.5 3098.23 600.19 2751.95 2758.78 715.91 10511.48 4936.43 5662.98 8180.5 1547.85 2126.54 2511.64 5068.66 782.46 1366.13 4399.65 5046.24 1329.85 1459.84 710.22 1263.13 1124.1 2609.03 1770.55 9828.69 657.19 5312.66 896.15 805.97 530.58 732.1 1094.68 4790.89 4426.66 1066.9 1559.98 1440.11 2493.69 6050.13 588.22 4070.79 616.96 8430.11 1995.27 2984.77 3271.18 10751.62 831.18 4171.44 3883.62 1232.59 2542.99 3126.89 493.1 2861.62 1516.27 6052.56 1174.5 692.94 920.14 691.2 3863.88 670.38 3105.4 3709.5 1251.13 6358.88 4743.2 6158.39 5975.97 5255.66 5306.96 2159.66 5867.52 5189.88 5272.81 5306.43 (E)-4-Amino-2-butenoic acid 726.21 6148.55 7158.8 10952.91 7370.41 6937.62 10945.16 8513.88 6779.88 8314.25 10629.56 12594 8557.3 8242.98 6751.41 11300.47 7753.42 5578.42 13509.88 13720.86 7111.1 13066.23 7765.06 9684.42 7021.42 6427.28 12746.73 10790.56 7301.75 6925.33 786.23 14653.17 4386.8 9476.03 9451.59 6724.33 6728.52 6207.51 9053.32 7931.08 7614.41 11777.62 10550.89 7444.51 10421.97 7967.19 4355.74 8784.79 10875.85 12145.77 6806.53 6231.79 9090.08 10627.69 5906.73 5256.85 5742.29 8338.36 6374.9 2036.89 9445.56 6926.28 5356.37 8093.61 7507.82 7385.2 7077.33 8986.65 9777.6 6621.48 5842.83 10865.85 8889.27 9485.02 9394.33 8776.96 8578.15 9012.01 8722.12 9396.99 8766.58 8984.15 9015.15 8754.61 Fasciculic acid C 8142.41 10268.71 6332.01 11143.22 5008.32 9385.61 21027.97 10009.93 6484.27 18234.76 3643.35 8636.55 1514.01 7989 8389.9 11931.82 7837.55 6920.69 7933.65 11315.59 7778.36 7358.02 7288.47 7138.73 9220.67 11616.15 6895.18 6478.49 9718.91 13161.05 9515.66 12620.03 1951.77 8739.05 6612.07 8524.95 8247.68 6988.07 2754.54 8544.25 13204.42 2954.06 7755.48 8824.05 2074.41 9071.92 2090.05 6670.58 65989.4 11855.22 9924.33 10376.34 10409.19 8633.62 9557.97 9630.13 9332.76 7978.97 9424.57 7396.28 9476.99 7185.14 7992.57 7310.24 7510.47 8184.71 7750.26 9687.25 7506.35 7822.59 8230.67 7008.93 34952.17 48180.63 17722.93 13431.6 12979.38 13483.29 11110.48 12662.75 15903.75 12996.82 13182.66 12548.79 2-Diphenylmethylpiperidine 13514.11 15699.68 11488.4 11499.66 15974.03 22865.93 17198.73 15382.41 42219.98 13839.85 13638.66 28201.23 44356.13 12634.13 13822.37 41992.32 8770.17 11022.83 38539.29 5397.55 40537.96 12275.87 12671.36 22448.1 17013.86 17244.36 18033.97 41407.5 53025.27 13753.41 32895.78 13930.15 9812.13 27082.75 16859.82 14362.65 15316.34 15678.44 14861.54 11739.38 5619.81 24234.94 27017 16653.36 29053.91 39170.74 15385.24 13390.93 10537.14 43509.46 21932.08 17496.23 33141.95 20877.4 13276.2 15220.83 9805.73 11686.76 17007.17 11915.25 13287.8 20354.53 15987.23 14499.25 10474.92 15729.32 29359.09 35300.93 35472.82 14920.14 40347.38 16428.45 12895.07 15014.88 22572.37 27743.22 28226.91 26374.29 29655.42 29661.96 16707.91 26913.65 26786.62 28153.06 Cyasterone 613.29 1648.58 1031.62 2767.89 2989.34 6745.81 15451.76 5660.77 6586.6 6718.5 6380.63 467.43 920.8 811.5 4061.15 831.52 4153.44 7516.71 2030.26 6204.8 2730.01 6441.06 1793.65 1170.26 4414.76 5258.51 8095.79 6367.1 2215.19 2361.91 11276.5 9376.62 3352.74 4111.02 2288.79 905.5 10093.78 4906.13 5665.06 3856.48 13551.84 12483.64 2057.93 4157.93 13566.67 5360.31 1414.91 929.45 1321.33 6645.91 6105.05 5894.35 2109.25 2686.56 1155.12 3655.64 2022.91 722.35 6279.66 5541.9 2665.03 5898.75 6159.07 935.64 396.39 3842.92 7051.73 2782.18 3583.11 6256.26 4183.05 6796.64 2551.98 4299.93 5433.13 6186.76 7847.35 6000.79 5191.39 6033.58 5891.53 4714.0 4207.15 6589.38 6611.91 4085.92 5599.45 6400.71 6349.77 6932.47 3855.67 5505.74 6552.49 3837.63 6620.31 5550.26 5943.49 5583.86 6190.6 6449.05 6194.49 6544.96 6093.33 6347.98 6585.95 6777.05 6188.8 6469.71 6011.31 1-(4-Hydroxyphenyl)-2-methyl-2-methylaminoethanol hydrochloride 1111.64 1528.97 3082.82 2920.39 8154.66 3216.84 505.02 19852.14 11479.87 8744.71 3659.91 2252.53 2997.68 2272.02 6095.12 2712.33 2531.74 1577.13 451.07 4096.05 6823.8 3664.28 1546.29 2836.31 8894.35 4848.18 6739.41 1273.38 10952.35 2683.88 2560.68 3353.28 5520.15 3905.41 4399.54 9745.83 8465.19 546.91 2516.56 11445.91 2151.86 2777.21 9641.34 1616.55 2055.48 1346.73 4717.45 476.15 4814.02 3158.02 4842.87 2791 4869.43 6694.4 8751.39 1976.11 3333.36 4742.66 5347.29 3591.27 2408.7 3006.93 14566.27 5986.19 4856.38 4437.01 2558.55 1140.51 1057.86 11172.45 13538.05 2197.77 4052.5 3945.42 660.63 4295.56 4521 4522.76 4542.64 4457.98 4459.42 4455.64 4454.73 4526.04 Rifampicin 787.7 6021.49 1989.17 2593.06 1829.28 2778.33 1962.95 1817.71 2539.02 7200.81 1967.15 1959.54 582.69 532.79 771.36 801.19 863.56 1073.68 645.17 1757.71 2010.2 2077.08 512.89 743.1 590.22 638.88 2184.86 2452.74 1703.07 12246.59 547.35 1747.83 795.45 8179.07 3532.91 2402.91 4822.88 7345.01 4762.74 4534.2 10992.47 10420.01 3182.33 3385.11 6761.43 5166.17 682.72 2031.71 1729.35 566.68 6941.47 4647.68 1893.51 6371.76 3825.2 4830.24 3257.97 4011.13 3372.94 4808.94 3157.77 4241.78 3657.18 3043.75 1495.12 5307.94 5552.12 2568.74 3468.62 5577.15 3083.14 3692.04 4617.59 3830.4 3559.51 3536.62 3474.16 3285.42 1441.85 3261.26 3322.59 3550.35 3379.87 3771.37 Cholesteryl acetate 811.28 43090.46 35060.87 1855.89 44934.81 1976.15 20465.95 1358.53 29826.67 70409.36 2430.4 58676.83 67729.3 89698.89 46535.21 1040.17 97869.43 44915.11 52491.56 111028.2 64240.52 63698.07 78075.59 3301.96 31380.76 53668.52 59432.38 30128.81 45740.31 25975.39 40375.02 55655.37 42797.68 14727.13 25394.97 54123.61 51324.91 55370.14 26681.91 60413.42 13902.14 7511.27 67914.76 47068.24 15350.27 20423.92 20264.8 56827.75 81020.58 16236.78 284028 30375.71 43484.5 21853.16 23747.07 10684.27 38468.54 121105.92 37755.55 120128.86 46440.48 12014.67 29554.39 30314.84 152311.56 20297.02 33137.16 40020.19 21681.36 37708.05 55267.33 33372.78 57393.1 12767.15 51337.69 22617.32 21692.99 24874.68 23727.29 24729.98 23664.29 25163.34 27432.55 24962.86 (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione 109983.76 97111.19 117338.49 101951.67 110163.61 83044.88 34630.78 54742.89 89219.61 81733.62 12788.63 47286.94 52119.73 73720.44 70413.11 63372.97 69440.14 67722.85 70655.83 63510.56 36031.97 37078.57 42614.83 96811.18 115220.11 123706.67 105277.79 90906.9 90230.79 75925.41 82441.14 82039.92 41561.41 111120.4 92335.72 107056.01 88055.02 49697.59 93243.85 77055.34 67354.03 80511.01 85334.3 78015.29 90084.75 60776.54 94919.91 83803.32 57674.16 65687.94 79814.56 73610.35 77829.53 57844.98 34378.95 78786.57 77821.56 74704.02 74373.05 51139.4 69156.92 74146.95 79503.67 83492.61 89161.45 86527.62 70011.89 104033.07 87545.81 90116.18 82913.95 77708.53 52957.12 64138.34 78848.31 85569.23 83183.21 83358.09 81848.11 83340.4 82695.22 82756.76 79219.11 82585.38 5,11-Dihydroindolo[3,2-b]carbazole-6-carbaldehyde 7208.55 7031.39 8392.63 1944.26 5413.8 2668.22 8194.62 3755.35 13268.91 11697.75 6898.98 3277.11 3842.83 8515.36 5925.91 8246.95 8676.03 10573.55 2290.23 12481.16 7727.76 5235.68 8549.31 7621.03 9323.09 9525.72 7688.92 7808.94 9665.58 4647.51 5026.48 3494.57 10609.12 3357.01 6902.21 9164.81 13689.59 10255.74 7917.84 10150.52 5326.95 8223.45 9523.14 8449.53 10277.11 6534.18 6587.33 7595.44 7270.93 7699.19 8669.69 11291.76 3884.46 3791.57 5190.28 6335.65 6438.52 6644.26 10009.05 7571.21 7257.16 4572.39 8091.31 6842.29 7016.9 6369.17 12480.17 7202.86 7326.92 9139.58 7193.57 9952 9066.31 10740.17 5156.19 3172.75 6247.25 3537.6 2475.46 3350.81 3015.84 2435.12 3034.83 3897.97 2636.54 2912.27 2322.57 3546.79 3511.22 3606.02 2224.06 2676.58 4516.64 4256.78 3609.19 2533.75 3748.97 3461.6 2452.94 3966.63 9646.05 9570.58 9495.51 8927.48 9386.68 9390.07 9400.92 9597.7 9609.94 Nomifensine maleate 473.03 308.56 486.65 581.39 2544.17 838.28 2083.67 309.89 501.66 554.18 285.67 708.72 817.84 553.78 443.89 722.62 436.23 651.27 1198.76 331.62 395.03 566.33 579.81 548.07 994.51 1452.45 407.36 503.44 895.84 262.31 449.64 605.63 452.08 726.01 447.48 295.57 688.77 224.37 425.11 374.42 446.14 525.85 442.07 505.85 593.39 3414.43 462.72 783.6 435.09 1214.7 560.03 293.21 705.02 809.12 746.33 508.21 562.12 402.91 524.33 496.94 431.98 391.7 839.51 735.97 616.46 932.99 341.65 611.31 627.93 971.33 586.09 233.24 306.72 1001.38 713.11 1302.77 1371.65 1356.58 1396.72 1369.31 1373.57 1355.51 1333.31 1365.24 11-Ketotestosterone 5348.26 3847.6 2550.47 1573.68 6832.95 33495.21 2857.55 6729.36 7179.39 2712.23 1634.17 6677.97 7766.49 2433.54 1544.67 4158.21 2344.98 3183.73 1575.9 5931.06 7830.6 26520.83 1196.4 2356.35 3307.33 3700.5 1467.53 2452.45 9092.99 3353.04 7001.8 3360.75 1993.23 1902.11 1372.43 7847.27 6483.23 8622.01 2518.88 1277.37 10932.75 7221.07 3320.92 2545.07 8416.47 3499.8 7793.1 4360.02 3403.25 6176.83 3580.86 3021.64 5315.26 3456.64 3450.66 5124.19 1432.99 1215.2 3770.49 10926.79 1228.17 4342.74 2066.65 2222.83 3838.17 7368.03 5521.19 1851.07 1602.98 5312.86 5229.93 3934.42 2870.36 1541.56 2756.4 4220.69 4137.24 4025.96 3295.25 4051.24 4214.03 4190.43 4207 4171.08 Reciniferatoxin 77979.56 9739.75 24948.05 48550.26 4248.24 12371.53 51619.52 16365.08 20222.05 6845.24 2390.89 21514.94 13546.51 1018.11 136689.01 38115.01 13113.6 10787.54 1685.82 162444.83 4885.49 8347.52 2670.16 17213.79 10178.29 19416.54 40146.96 20082.65 7845.05 18230.18 7741.27 6419.35 15624.06 27657.7 39084.04 14796 3881.98 12168.65 21661.51 34079.62 3902.28 4599.43 5238.43 15726.42 16285.13 52916.96 4696.67 5249.01 6705.15 14481.47 2294.8 19299.91 47658.98 56716.21 9432.96 2268.15 27431.68 2282.07 11058.19 8720.93 15125.01 19443.83 5298.53 5065.51 2643.99 12280.66 3621.83 4345.26 10064.99 18943.2 12574.81 2009.68 8157.98 22097.15 56638.55 11070.75 12389.77 8694.75 11193.8 14994.4 11399.33 13053.81 11434.66 12191.12 Fenothiocarb 54269.67 72058.19 167527.19 140034.19 58604.96 20816.69 69062.46 38014.46 31433.74 52998.55 87712.05 79973.38 60406.58 97357.68 73920.87 94293.55 72717.08 68880.58 40633.68 21925.08 25918.04 18757.87 71588.08 98203.63 50035.58 44868.74 63150.73 47079.95 38292.71 15987.54 58341.03 25804.59 26424.58 135081.06 150487.73 52113.39 53010.89 36571 73629.98 124801.55 25447.43 33446.7 116826.25 109473.57 52765.74 45815.89 55307.1 63635.6 32202.36 43959.85 44508.21 94258.27 122301.58 103687.71 85608.33 111412.71 199988.44 158878.17 40636.03 37912.91 89447.86 134065.77 127895.83 152636.98 102916.26 94868.99 49401.3 82453 102609.07 56506.43 29788.94 62399.46 116227.75 180323.8 137575.07 76593.54 77508.19 75312.38 74854.59 76655.34 73319.4 74206.77 74811 78401.69 Demeton-S-methylsulphon 9608.02 5376.54 673.04 1255.45 9740.74 4975.36 3564.22 10144.48 8996.22 6260.33 2152.36 4687.51 2351.15 3843.42 6093.17 4990.42 2270.9 5532.48 4980.03 8987.21 7049.58 2670.6 2059.76 3009.17 8181.05 6082.65 4091.18 5612.72 9576.62 4627.12 8192.24 6900.11 4928.22 3214.47 2517.9 8977.75 7332.42 4466.8 3636.43 3767.19 8336.64 10699.21 2989.69 2547.39 7599.19 3989.92 8554.88 5095.4 7574.11 7781.82 7003.89 4713.95 2861.87 2695.2 6137.22 3828.74 1388.75 751.75 6752.91 2695.6 2695.2 1972.84 4417.23 1550.06 3850.99 7860.45 5287.96 4896.19 4862.82 7987.48 7654.07 4626.08 4497.72 1052.46 2660.99 5782.73 5779.79 5748.07 5779.42 5734.59 5676.97 5701.54 5702.31 5768.15 20-Hydroxy-PGE2 3416.2 183.6 952.4 115451.91 666792.81 864624.52 525904.77 15820.52 411.96 974.29 212.68 7894.66 63230.01 22928 1101.28 54028.06 8066.01 346.81 22231.24 170.64 4764.32 134.74 92.81 17285.32 6179.48 4199.87 6964.65 976.75 4498.81 131.3 1073.23 10969.5 119.81 3839.65 1096.69 1961.54 1515.51 17389.62 2221.7 16515.08 361932.59 28442.07 18515.03 19677.14 17129.92 46536.27 30381.61 17624.58 30075.64 2322.54 7482.17 1018.97 2977.37 7426.76 10204.09 17079.33 11058.17 16640.72 7977.67 44183.5 11368.7 17644.59 931.41 1000.24 14817.36 8153.58 184.65 1902.86 1004.83 950.1 10723.03 3040.9 21990.63 1479.56 20361.83 105076.29 105576.54 105087.97 104711.94 104685.82 104455.27 104826.63 104437.11 103947.07 Etiocholanolone glucuronide 18620.09 11929.55 11046.19 8340.52 5564.72 7189.79 3386.09 6741.89 4074.42 13766.22 12491.86 2578.34 729.9 10160.34 15980.43 2304.11 2388.7 12625.13 1598.37 5226.95 1808.47 4370.96 1201.5 3369.51 14411.44 13687.52 1279.98 12097.5 6386.92 3113.4 1356.64 2210.69 818.72 7636.01 8286.01 8444.3 16833.11 6196.45 8224.73 17524.42 3570.23 14735.41 9991.16 12337.9 9297.05 9991.74 11911.02 4275.91 1436.73 6883.69 12204.8 10738.96 14671.49 7755.94 15147.6 7765.51 8655.74 17770.94 10260.01 4339.37 11444.45 6331.73 17868.96 11297.09 9600.97 15191.77 10293.25 11527.3 11343.49 11665.94 5500.61 4434.24 11582.54 12697.52 6026.94 11559.55 11790.96 11416.79 11658.73 11762.99 11763.61 11778.69 11381.8 10802.09 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluoro-5-bromobenzamide 37824.2 33458.72 13916.75 10372.84 39640.03 78140.24 17628.25 23863.51 9004.31 68156.64 65755.29 38081.28 29135.42 44640.34 34253.4 37842.66 24033.06 33370.12 70702.13 18564.94 16976.08 28336.27 25239.58 29427.76 56984.16 51826.8 36807.34 30255.19 77341.59 16084.81 31765.42 18241.86 27129.42 19865.06 27528.06 43460.04 15713.7 103055.34 61001.48 55563.62 36029.99 93570.21 49774.26 35121.99 66544.76 9847.54 32819.72 60063.29 71379.87 85479.44 67250.73 46231.38 43278.87 26419 20329.38 43663.23 9298.03 8770.11 30163.31 27066.21 38569.19 52248.59 27708.96 8643.72 15191.08 62013.83 21133.81 34616.61 48168.89 27664.91 17598.5 38433.55 49964.6 32063.18 15247.96 41022.49 43133.42 41691.7 40731.33 35126.51 41690.61 41049.25 39581.82 41253.14 Octrizole 1151.36 634.51 14188.37 14779.71 4482.46 2707.81 8572.79 3864.55 1707.79 2418.77 8356.39 895.31 15489.25 9467.39 10884.93 16675.68 14505.67 3979.58 15479.27 2319.56 1850.1 2534.69 4668.49 12099.27 1600.91 1223.66 5133.25 7432.58 1463.08 3627.06 3053.54 1468.44 1776.28 11320.3 15047.95 2395.98 3953.66 1188.38 9257.39 11082.79 5720.8 853.47 14642.39 12028.66 2481.32 9862.34 4130.02 13760.04 1018.91 14913.05 2832.48 3528.77 12433.61 17206.7 4136.74 9794.09 14539.14 10749.67 3246.6 1807.51 10241.73 8331 6374.04 17175.53 11674.37 3880.57 9870.64 7627.2 9582.82 3018.47 2789.97 5402.48 11786.81 21031.54 16787.91 6769.62 7129.55 6767.22 6835.94 6778.52 6308.47 6275.5 6380.99 6440.97 Purmorphamine 2038.21 1499.25 2862.95 3179.49 2912.27 2699.01 1639.79 3670.01 1784.93 1430.67 1388.7 1789.79 7349.06 2445.94 2058.05 8130.67 2251.56 3351.89 3813.56 2751.8 1355.66 844.89 3467.81 3027.75 609.37 1881.66 2543.5 2501.52 2045.97 1371.55 1816.6 6198.7 981.56 6041.64 1054.01 4728.09 1307.6 3290.85 3853.18 2357.62 3074.77 14365.39 1367.42 1080.32 3967.14 10318.91 1856.81 4666.93 1537.7 3774.28 16140.7 917.6 4904.13 8425.34 1163.5 2621.78 2883.34 861.43 1627.96 1135.41 2584.05 3091.84 2642.21 1429.86 1720.47 3562.57 2504.58 1839.52 853.79 2620.38 1974.38 1509.53 2368.83 5607.68 1269.31 3415.23 3682.9 3262.91 3730.59 3972.44 2799.25 3290.06 3431.71 3302.31 Chlordiazepoxide 1313.72 724.89 15951.21 17337.38 992.21 10862.22 19718.45 5876.72 10484.92 12721.98 15984.14 16346.22 17098.67 16407.57 3601.31 19812.24 19654.23 2177.1 22739.58 6218 11844.27 2474.27 12247.97 18896.19 5194.72 9674.99 19702.01 20952.25 4534.79 21865.85 4220.99 19716.18 3847.8 18419.04 19740.69 7679.82 2192.03 7211.08 17573.41 17878.87 11445.14 8197.09 18994.83 16148.12 7694.36 18588.63 12039.52 18466.84 13571.01 23020.09 3690.62 7860.38 17474.35 22520.59 6714.42 9282.32 11912.07 11427.8 5559.41 7238.73 13900.71 14418.48 7135.44 19086.01 15113.24 9668.46 14537.39 20759.51 17703.27 8264.06 8977.48 19972.73 15728.79 24339.31 20691.19 13330.52 13630.65 13720.26 13635.81 13638.37 13543.58 13466.75 13534.58 13439.35 Sclareolide 5336.46 6508.84 15135.37 3827.84 37453.31 4555.02 10506.4 5084.38 5469.63 1352.11 5901.37 6234.66 6279.76 9580.02 6269.85 8484.37 8636.67 9654.17 5942.94 21464.62 5807.98 6423.75 8964.76 12473.4 8924.11 6401.21 5060.92 7604.03 8439.91 5346.17 4728.51 2366.21 7398.23 8561.42 8819.02 13064.55 5065.71 3267 5699.88 10966.54 5378.93 2632.43 7959.98 25428.32 7231.4 3621.72 9624.14 7887.59 14187.25 6371.4 21937.57 5860.68 7598.79 16123.98 12368.58 5503.04 8703.35 7606.59 10996.02 6758.56 4363.45 8294.87 11232.16 7479.48 23402.38 6840.97 2419.62 6169.67 7840.4 15603.87 3440.7 6297.75 12093.11 9492.79 13325.32 10022.39 9539.27 9444.06 9354.79 9575.47 10013.41 9885.69 9315.15 9882.83 1-Amino-3,3-diethoxypropane 10002.96 10065.64 7378.45 7843.63 14608.74 14606.67 15871.37 14354.9 12845.07 12821.57 10449.86 12038.5 10032.67 11695.36 9901.95 13850.87 8367.18 12224.19 10933.73 21996.34 4239.73 9060.02 10470.96 10794.46 11500.85 12698.56 13221.63 14270.35 18316.4 11375.91 13962.83 16613.32 7241.27 12582.59 10823.81 18549.91 9323.28 10272.16 10361.47 9048.7 19388.06 16455.08 12283.98 9082.88 18773.64 6635.65 15263.82 18070.65 13505.92 17902.65 9577.1 9811.13 9593.9 10914.45 7264.68 10194.71 6523.43 6788.16 9570.33 6371.79 7339.8 8799.5 6512.8 9437.49 6110.09 10607.17 10941.93 11072.42 9876.65 9617.98 9820.31 12689.87 8107.73 10491.42 8347.69 11467.4 11591.67 11588.82 11875.38 11761.21 11589 11752.44 11752.62 11659.64 1-Cinnamoylpiperidine 5035.88 2568.07 2247.59 1514.61 10937.89 2333.28 575.49 3918.73 11447.58 2952.29 1765.62 1053.4 3927.47 4964.51 9769.13 1723.69 3598.42 10795.78 10344.99 5395.05 840.89 4884.15 3656.42 1082.28 10909.14 7087.52 6565.73 2036.54 8103.75 2355.72 1052.69 12243.3 5035.53 5763.52 5687.66 9197.87 9689.47 3431.24 4927.02 12464.29 3361.34 1749.57 7499.1 4143.91 5434.41 6648.85 4425.29 746.85 5274.64 2535.05 1549.68 1337.95 10469.22 16562.35 4041.07 3325.55 816.25 9682.93 5981.63 1853.59 776.36 4277.92 6539.94 20303.35 5741.26 6980.98 1205.59 4070.78 478.26 9512.91 7505.33 2672.49 6011.26 9953.17 7126.91 5806.08 5182.98 5155.36 5242.93 5390.58 3875.45 5156.73 5397.82 5386.63 2-(Ethylsulfinylmethyl)phenyl methylcarbamate 2516.68 1466.27 1425.64 899.63 1812.82 2023.21 19995.09 4107.02 3940.42 1682.93 889.68 2206.85 530.73 835.24 3153.6 1799.36 469.91 2533.66 1351.82 4804.01 2996.18 1119.75 1374.42 1262.69 3493.55 2672.89 850.14 1139.44 2701.69 3447.98 3649.18 1417.66 2197.85 1453.36 933.08 3679.06 3003.07 2459.58 1228.64 1874.32 3564.21 3962.6 939.38 883.52 3641.92 909.53 3985.51 1194.56 468.23 1685.78 2352.37 1132.96 1211.7 1059.26 2418.86 1160.83 1181.96 845.26 2143.06 1920.58 1248.57 1077.77 915.24 1024.8 1664.87 3868 708.32 1279.13 1875.79 2822.72 3781.13 1310.82 1748.1 1087.55 1436.91 2039.32 2094.79 2102.41 2126.99 2094.54 2011.89 2048.13 2075.63 1399.86 trans-Dideoxyclovamide 11258.45 8942.21 16634.31 17628.49 5963.42 7027.19 19237.49 13616.08 12579.7 14593.59 14991.67 14978.09 12610 16955.27 17903.92 18783.78 17200.47 9436.08 16297.43 12300.39 7522.58 8169.25 14519.83 21250.51 15233.53 4745.43 18838.74 22045.71 18057.37 16956.25 14518.8 23931.83 7697.36 18663.37 18234.05 12286.55 17494.16 11196.1 21501.92 20144.25 11674.57 20297.08 17430.36 15176.97 13533.95 15672.91 4713.85 16049.93 15388.1 22395.23 12705.56 12209.95 19494.99 20503.31 12396.65 7815.13 12152.4 14051.13 12430.38 6031.07 15191.03 11798.43 13480.88 18323.58 17364.83 14773.95 8407.09 14654.61 19989.03 15118.42 9240.02 15876.46 18716.52 18694.41 20989.1 16568.74 15972.79 15053.1 16078.91 15728.45 16039.81 15719.16 15852.93 15910.57 Fumonisin b1 1378.7 4245.75 3390.37 3735.57 800.48 5569.37 2368.84 7353.1 5269.27 1628.16 6444.82 4209.23 6759.04 4734.65 1954.46 2845.52 794.89 3016.94 6599.38 2074.86 1539.91 3959.99 6525.17 6681 5121.24 1220.88 3937.12 3613.94 4950.33 967.61 741.32 12918.44 2502.73 8211.6 3532.36 11249.97 3688.48 5130.61 2724.96 3831.09 4394.63 8721.3 5180.48 5418.5 4008.25 2743.84 5676.17 22303.8 3096.62 9836.77 6545.57 7632.79 5697.1 8058.22 6128.31 2851.22 2473.66 841.48 7179.18 5084.12 1811.63 4296.66 5220.41 5405.75 3232.51 2796.91 2910.15 3872.43 2650.59 6543.95 857.1 3265.77 5531.98 6847.25 4413.24 4680.92 4692.44 4713.71 4713.97 5668.72 4431.68 4342.12 3320.41 4302.96 Bispyribac 15037.73 13843.99 10081.99 8790.2 11732.71 12998.2 11288.98 14455.86 17146.35 15926.33 11522.18 10400.63 9134.63 11349.9 6424.16 11339.57 11507.73 10862.02 12054.63 11974.65 13354.54 11852.2 7725.08 10810.84 14475.67 12818.55 12063.31 13912.55 13257.72 17151.97 13593.68 12309.85 14365.3 11663.61 10353.8 12786.42 15960.9 13597.47 12959.33 13967.34 15886.99 11022.64 9587.64 11320.14 14068.42 10624.6 12028.23 10453.95 12055.04 11834.83 12002.75 11964.33 9479.4 12017.81 12074.34 12651.58 5558.11 4277.51 12771.32 12300.28 11774.01 8136.81 11936.87 11213.16 14712.31 11825.29 14606.54 14305.94 15804.38 15915.26 11962.11 11647.45 12544.66 11262.36 12983.24 13433.76 13718.74 13433.15 13325.17 13206.75 13332.4 13695.47 13696.52 13325.69 Allopurinol riboside 3704.73 5515.74 4386.24 448.14 3331.54 3232.02 4104.88 2274.93 4590.04 1806.48 9880.68 9753.92 6194.43 11428.66 2808.61 6423.24 7224.3 2868.85 13442.82 4870.89 2051.43 558.34 7241.61 7656.05 2816.59 5116.65 9694.17 2460.8 4049.6 5393.91 1558.17 22196.17 3471.53 12358.3 6406.15 2237.83 857.89 4327.99 6690.81 11218.68 6478.55 3823.89 4060.24 10582.96 2016.95 3298.19 6138.49 3332.16 7294.61 3599.03 4313.63 4942.7 11753.28 6386.19 8170.67 2405.45 9419.03 9866.53 1754.87 1194.68 3228.61 6617.41 2635.6 6442.55 14158.57 4265.28 6284.71 9148.44 9451.32 2650.7 2284.12 9620.97 9889.48 13558.95 2721.18 3054.13 1520.16 2676.41 2315.46 2543.25 1507.59 3062.79 1422.72 1783.31 2449.92 5347.98 2391.3 2491.66 1333.88 3645.06 1233.56 1007.3 951.72 3546.29 2456.1 2325.27 3428.05 2133.73 3762.19 2897.21 6740.93 5846.6 4592.27 5910.43 5768.56 5810.77 5197.65 5297.74 5368.1 Cinobufotalin 27185.13 8974.96 28982.97 18041.04 7498.65 34724.57 5850.21 24998.87 24276.4 28372.45 19152.53 12526.1 16471.79 18180.59 11717.49 33705.9 6302.73 41830.32 7174.76 29827.19 33841.72 7808.42 16257.51 3677.57 4798.48 6012.31 39651.73 6664.96 15236.66 25552.73 17046.64 30202.74 20335.8 27907.12 20967.12 26328.08 6682.73 13445.8 13413.27 12059.86 892.97 37990.47 40072.94 18103.86 40144.3 6031.23 29076.13 7967.19 13931.58 22657.68 6268.18 7925.6 35347.76 8256.85 30342.58 8332.17 35448.54 38556.23 32045.05 6649.36 9774.81 19507.31 6473.29 30218.99 16181.02 6667.25 6990.27 19791.58 23463.7 7433.94 29962.56 34577.16 26958.39 17903.53 35439.55 5173.06 8876.87 3517.66 5600.42 3985.54 5361.71 5141.82 5031.09 5277.55 5575.33 4532.58 5554.54 3285.97 4915.56 5325.59 4304.19 5302.73 4396.78 5039.12 3719.42 2405.9 5302.66 5285.78 4148.12 5239.29 15990.65 16950.21 14755.62 15542 14114.79 18471.17 16318.3 15622.87 17689.02 (1S)-Deltamethrin 48640.53 29289.04 39957.62 45761.68 23421.22 47684.25 45167.72 70640 64676.06 62205.26 54774.69 50360.07 30063.98 61644.09 41515.94 47662.45 69407.65 47826.86 44138.26 34779.43 56127.3 37732.22 57756.57 32209.18 56791.33 33836.37 51089.31 70812.14 35309.92 65206.51 24266.39 26541.96 51361.15 46468.39 60426.5 61482.6 68079.42 53131.21 68257.27 66817.72 45969.54 48121.94 62786.53 54922.66 51401.88 22209.72 54219.75 60270.94 39132.71 39513.65 51653.55 37496.44 57874.38 47290.38 48635.18 27907.65 55008.91 61829.4 52978.77 59793.84 61569.7 37430.54 53191.83 65235.35 48804.95 48893.28 30714.76 40421.28 60896.36 47324.97 39140.54 55876.45 63219.99 46515.72 49909.26 47034.53 44532.8 43201.95 45935.21 45054.59 45039.52 41874.71 43079.77 42026.63 Butyl linoleate 13648.37 7971.27 3826.01 4495.37 7142.98 4678.88 7903.18 6193.9 5763.28 6896.65 3080.73 4601.61 4579.25 6531.33 4991.55 6882.97 5029.43 6363.5 6295.42 9604.09 5670.46 3924.04 3036.94 4863.05 4318.72 3117.37 4356.57 3438.56 4642.04 6583.79 4691.34 4718.64 3863.46 4044.33 5556.4 4156.38 6519.57 6340.7 4135.72 4605.4 7947.73 4704.04 8807.93 5056.65 4811.83 4511.69 6719.19 6357.71 11046.9 5322.4 6012.65 5484.49 5736.58 6495.72 7726.58 5921.2 3442.83 4423.85 2543.11 7756.43 3377.89 2283.55 2399.18 3094.32 2983.34 5202.78 2975.28 3978 3850.5 3741.53 2992.98 5725.7 4557.3 3314.48 3678.84 8733.35 8931.76 10213.36 9304.11 9410.58 8869.03 10414.3 11881.68 8805.43 Levoglucosan 87311.9 90228.86 92857.99 89724.78 95773 66105.95 96307.47 113373.93 104137.07 97559.93 52751.11 95572.56 106305.75 104585.93 101595.33 94784 91299.79 99935.38 116116.22 92659.37 112628.76 79624.06 96707.49 90837.24 103656.87 101761.08 100213.59 103214.61 102177.07 82857.38 78929.7 91216.19 94880.32 101836.11 92688.99 105911.08 95939.33 52295.41 93115.18 79350.6 74670.3 81192.46 103018.28 82047.95 92903.11 71673.3 99290.26 89002.21 64139.71 76093.42 69494.27 79801.79 90198.57 68264.08 82252.53 87703.12 84480.99 78634.87 87371.02 56196.46 78171.23 80435.98 79050.79 79304.26 84325.54 80395.76 73870.07 93548.35 87179.28 94835.37 79588.67 78722.56 49126.34 62938.22 77966.56 368578.43 413212.19 319695.4 403603.37 303006.02 373156.76 390114.41 367902.37 376157.61 373715.41 396469.04 374475.79 364720.68 331887.41 396394.5 369116.93 366651.54 328627.68 368661.37 375888.95 366279.84 400144.56 380710.07 310375.4 358977.06 82646.65 82338.77 82649.4 83228.47 83242.05 83098.3 83232.1 84310.9 82663.78 Alteichin 6384.19 9042.68 7786.26 3851.05 3262.82 3807.56 1222.54 3154.58 13317.53 5194.44 5631.53 1850.17 835.28 6980.55 7216.82 11353.63 3964.22 2217.6 2798.79 3254.46 4368.17 528.3 526.49 2800.22 4518.77 7294.47 11552.92 4701.66 2408.45 1394.27 3036.37 2655.18 571.32 4224.69 6031.78 5758.91 9970.24 5812.72 5830.56 18205.67 4495.77 7238.95 6147.79 4954.03 4305.25 4784.49 4178.81 806.85 2661.13 20106.41 5379.14 6857.97 3963.06 8760.65 6385.78 8279.38 9338.39 5425.64 3090.48 2154.46 3433.75 2795.33 11712.49 12793.89 5697.17 8310.71 4392.84 6855.81 9023.39 10482.02 8385.9 8355.67 9657.2 9219.52 11699.86 6188.81 5504.2 6196.08 6200.89 5967.49 5977.43 6243.52 6011.17 6091.61 Lupenone 20441.91 24664.25 19290.62 18357.96 25360.58 33113.83 13959.35 41077.17 51230.65 26797.99 17396.52 31963.59 23083.56 30365.39 25601.58 18572.15 700.1 27933.19 32228.61 47923.64 65234.02 25091.15 18157.64 43920.27 25416.77 36206.26 20493.66 30888.13 44939.69 24675.16 48425.33 46680.33 13434.32 21895.38 24175.36 26572.55 24403.86 14475.43 17648.61 19572.81 51493.33 31458.82 22525.89 13073.59 45352.84 15184.36 65251.7 32930.63 15318.16 53955.67 6217.34 15317.51 18141.49 22288.22 11183.13 18777.72 9843.06 17549.09 21812.28 26701.78 14243.28 20189.61 32181.86 24726.78 11884.34 21199.88 69875 15170.14 17767.84 32717.2 23519.5 22377.62 20063.15 17995.5 25460.92 23447.82 24705.84 25012.16 24692.4 24259.98 24055.92 24727.48 24705.42 24694.01 1-Tert-butoxy-2-propanol 30643.04 36197.62 36480.88 5919.47 10528 8422.41 42934.96 34821.26 33768.23 36409.9 27769.45 28339.37 4951.9 35736.22 42084.38 49182.15 33273.04 40025.85 45938.35 3590.28 36882.84 29513.8 29988.57 39020.28 33108.48 43865.44 39863.98 32652.4 54395.78 43690.63 16099.71 5067.27 37029.4 45957.28 38764.92 56725.4 44801.1 45543.8 49995.58 39675.54 51520.34 51361.87 45384.08 42684.22 53869.17 37270.25 56292.37 37697.26 62289.45 29468.6 38254.06 31685.91 40651 37705.93 49530.78 41057.89 21335.19 28213.1 11094.72 40911.15 32220.86 16251.97 26797.78 55637.89 39378.51 40953.84 37839.98 51533.33 36167.32 33010.63 39681.75 50341.07 51550.57 43441.28 41712.61 18072.69 15502.7 16411.21 14050.99 15365.98 15893.66 16491.64 16457.72 15542.16 Polyporusterone A 18329.36 20086.33 7368.58 17854.81 8250.7 2019.52 15105.91 18626.93 2877.04 17996.77 14546.44 12594.44 5830.5 26638.24 17984.51 13245.14 17697.72 3302.7 6165.29 13817.53 14685.39 17928.97 12125.8 24745.77 15444.2 19675.41 20026.21 18692.8 2541.58 18535 10559.03 7883.3 20198.34 12437.66 22687.54 3325.05 2937.74 20416.84 24999.76 20492.16 4661.54 2500.63 22434.2 21571.58 18149.68 11841.32 20503.08 5834.71 5597.24 20191.05 21008.87 9887.9 19847.07 12716.35 15925.72 16028.88 18527.41 24477.26 15534.77 23829.12 17345.24 24037.09 19882.44 11609.16 19076.59 17287.42 17299 21238.35 10684.55 14520.67 11721.8 17485.79 18874.44 25361.95 22941.54 9738.03 9087.91 9586.83 9739.03 11151.7 8653.53 9739.53 9462.41 9760.35 Prostaglandin D2 Ethanolamide 45556.27 46010.89 15156.39 28025.94 115255.49 102319.56 22993.57 56354.09 64923.6 27147.76 19791.38 18808.56 1341.29 17403.64 50146.66 31628.22 19815.08 39293.69 46198.32 88331.4 69537.04 50565.17 15068.38 24506.84 52388.4 67052.69 12413.24 14864.67 57492.34 14280.83 50547.23 28003.14 42208.5 29021.94 21530.23 41794.43 45664.35 45485.4 17465.47 15335.87 75283.43 66788 24674.72 13046.66 64795.46 20699.85 57437.38 27049.88 15569.27 31624.82 42172.25 42308.8 13306.5 21028.4 35902.03 31079.68 6727.42 7320.82 47760.12 37287.9 16646.7 9987.95 35752.11 25403.57 18085.16 58419.1 89642.51 13993.19 7036.97 53107.36 57390.27 27089.53 20267.31 23360.88 23060.53 39127.14 38685.91 38626.19 38230.06 36352 38444.1 38223.46 38424.09 38692.21 Tripelennamine 1493.6 3495.68 5168.21 6040.46 850.03 7102.04 5127.85 728.71 940.26 3956.56 6360.66 2717.63 5460.51 3044.55 1109.31 4972.72 2534.23 797.5 4842.58 902.46 2156.43 3419.83 3510.83 3894.21 848.24 4494.57 5004.23 6130.46 1320.96 1348.48 1936.86 5437.56 1665.18 7646.01 3975.9 769.64 1087.02 3875.72 2558.79 2388.46 1965.35 2660.6 6757.32 4486.18 937.8 1081.78 4030.57 6050.17 3700.9 3753.39 1337.82 1070.93 5495.1 6416.27 1701.84 2073.64 2920.88 4747.06 1015.99 1081.91 2223 2460.02 800.52 4461.13 2626 1423.05 2345.15 4314.71 4352.73 878.05 1848.34 2696.4 2812.15 5701.95 4502.08 3076.78 3035.99 3042.22 3317.93 3357.31 3163.93 3030.87 2127.11 3133.82 Thymopentin 3801.82 4553.88 11599.91 782.07 10310.04 3779.36 2546.55 993.09 414.34 5796.81 380.32 2983.6 2154.24 1604.6 11098.89 4911.96 2313.27 2843.3 2981.05 3058.9 4789.99 2788.26 2772.35 987.21 1437.2 7372.02 1442.75 1475.08 2662.35 1577.94 2155.14 4079.65 2460.83 1090.54 4563.1 5476.66 5448.17 19176.22 3960.72 4920.23 2086.19 1184.25 1729.57 259.96 6901.98 300.35 9400.61 1949.65 4013.22 17461.21 4463.02 10174.21 408.95 13147.96 6009.25 21015.98 7117.24 8090.43 892.61 9667.83 660.27 6229.37 17676.64 3173.39 1902.7 5237.13 918.28 3612.98 510.53 5705.23 5677 843.81 1457.73 9617.46 5438.05 6537.5 6472.45 6861.84 6926.64 6374.44 6270.71 6479.06 7183.24 6612.2 Santonin 6208.9 7952.95 4343.81 5274.43 6762 7934.98 8074.52 5358.37 3637.55 2433.45 3672.75 6317.77 20452.48 4701.32 8185.13 5404.05 1569.34 8317.85 11150.53 3406.37 1642.05 3663.07 3465.18 1502.58 6376.3 1744.24 5446.3 7369.84 12463.22 3073.88 2080.77 1081.51 4073.92 6247.69 7740.65 7459.02 2962.29 2335.94 3603.22 8231.72 1734.97 1922.64 5584.66 5072.32 2859.14 10628.67 6029.1 8702.08 1653.01 7988.41 3205.66 7807.22 8418.47 11943.42 4937.08 5657.05 4695.8 2079.82 4460.47 3405.57 3465.8 3322.71 2876.41 6594.05 4689.68 6063.17 6348.11 8028.05 5396.55 3134.32 4161.17 3080.99 7477.91 8329.61 11640.72 3862.04 5986.75 7208.07 5164.05 4158.81 6745.45 4192.34 4677.23 5339.7 5282.3 3773.0 1183.42 3718.82 3675.68 4401.56 3586.55 5082.87 6500.82 3331.02 6731.79 9148.57 6233.68 7584.1 9389.26 5632.98 5822.04 5873.96 5840.88 5044.13 6000.71 5989.5 5950.12 5990.53 5993.86 Acebutolol 3780.16 1621.79 408.26 637.78 3056.37 1355.08 7204.61 15567.91 5925.28 6496.15 2403.38 2766.97 3255.96 2767.81 3910.78 3258.51 760.93 19910.64 20720.16 22089.76 11112.15 2696.56 1841.73 2522.84 2465.11 1036.37 771.67 964.06 4163.96 857.83 15005.9 16573.77 12376.31 1145.81 1071.29 12502.06 9743.05 2256.07 1503.72 429.63 6190.74 12909.33 4882.29 2723.56 11771.29 5871.36 13093.25 7187.92 13692.69 11205.97 8672.97 6229.21 2763.24 2459.95 5568.94 6081.52 1261.14 1894.17 18690.38 3450.96 2046.29 1907.68 6947.61 6688.46 5834.21 4157.04 6107.11 1370.83 2675.65 11291 8728.69 6253.34 8022.69 1670.83 1859.77 6802.42 7827.84 8014.98 7837.9 8015.61 7831.1 7827.76 7933.45 8150.37 Zotepine 1906.96 2253.91 1185.51 705.33 2664.88 2544.36 481.28 3412.63 2433.36 2248.89 1482.09 1735.4 1222.14 2144.63 3205.47 2951.15 2011.17 2301.03 3208.04 5251.02 2031.49 2128.37 1542.96 1591.2 3953.41 4293.99 1724.64 1478.85 1702.46 1948.28 1802.71 3345.3 3020.5 901.48 3741.32 1715.94 1797.37 1285.48 947.97 1991.08 2284.95 4100.79 1065.54 1643.21 3264.15 3020.12 3187.02 2390.13 987.16 2077.97 814.4 1275.48 1837.32 2065.11 1523.14 1206.53 848.54 1196.41 3347.12 935.86 2069.33 1955.5 1453.39 1546.04 1316.75 2814.04 2364.03 1869.34 1339.15 3467.22 2305.21 2511.06 2417.99 2462.97 1909.44 2605.88 2432.82 2476.4 2584.74 2669.88 2619.36 2208.91 2458.74 2619.75 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol 1291.85 2373.03 2605.12 3824.46 12722.68 5644.98 3464.05 2725.22 9985.82 12507.67 4192.17 10592.55 85201.99 36218 43173.17 4533.9 5418.26 1297 4066.12 44896.2 2107.23 192278.7 3908.84 6646.66 12135.7 2278.6 2886.23 13364.5 5007.18 4744.94 3814.88 7935.26 7114.43 7112.16 6729.59 9456 16130.23 24813.32 6558.77 10848.31 19599.92 6616.27 39124.85 40010.29 37777.32 9462.5 34852 21054.65 27570.35 19083.95 49764 20418.93 15697.38 18149.73 22746.15 15673.61 11966.92 28649.42 16578.99 35346.51 9955.84 12141.34 11813.62 3866.15 35218.95 20691.12 21623.06 35789.91 36232.42 27250.22 21279.52 17154.29 16600.09 48803.45 42201.17 21688.78 21188.63 20935.37 21560.75 21101.75 22233.24 21376.48 21225.58 21658.85 Isocarboxazid 1381.6 932.39 1834.54 1914.49 1511.91 1225.15 6590.05 2898.82 1362.22 962.8 1441.64 1695.53 621.82 556.8 2361.56 2800.22 3590.75 5241.98 3227.3 3057.51 2318.39 14346.32 1049.5 2196.06 837.9 1266.1 3272.88 1742.51 2041.09 2073.16 7810.77 3686.78 1245.21 1101.22 2623.76 1609.73 2165.78 1150.5 1529.9 1041.93 908.21 2253.93 1132.49 702.68 3408.75 2008.47 1709.15 739.37 2302.06 1639.1 771.52 1256.06 1664.37 2729.17 1803.17 1246.36 1541.11 1089.34 2162.93 1522.08 3018.89 1157.3 700.73 2103.81 1089.91 755.43 2537.65 1238.74 1690.51 2187.97 1182.79 1727.65 1604.98 1693.94 1039.72 1654.81 1385.5 1380.99 1559.51 1478.92 1802.67 1643.1 1610.7 1612.3 11,12-Methyleneoctadecanoic acid 18125.5 8625.46 33170.62 37658.61 39108.31 34613.28 14573.68 473.58 20270.75 17209.12 14811.54 17931.72 24347.18 18847.88 13097.74 47648.74 70424.14 97402.6 1895.1 50905.22 16447.75 12153.28 14209.05 3696.5 23549.02 16531.57 8093.71 17384.31 981.63 13025.54 28804.17 15104.59 7689.18 15216.35 11384.53 33470.02 4761.09 15595.47 20337.88 6222.25 30684 25272.89 8976.83 32724.99 16834.46 10951.81 20316.24 16600.54 39684.91 35604.94 36135.38 3040.95 13573.81 12810.61 30230.06 12666.55 53569.62 33100.9 39170.77 26255.63 44938.85 35664.05 14807.79 24046.61 25253.67 17705.25 27763.9 24463.54 9916.44 25925.89 16811.6 11957.71 13134.28 21878.35 38709.71 23965.51 23582.82 22109.35 22504.85 21044.46 23380.1 22239.12 23582.17 23638.67 Prosta-5,13-dien-1-oic acid, 11-hydroxy-9,15-dioxo-, (5Z,8beta,11alpha,13E)- 136.97 501.08 1289.28 21901.95 158178.69 195395.03 168433.64 1727.68 49.61 2309.94 1342.79 48.71 10666.35 50.87 826.89 9556.63 2385.85 417.93 1060.56 616.92 123.61 452.76 3724.23 1120.65 106.7 232.42 3329.04 1562.1 147.5 99.32 1991.95 3807.3 58.4 461.09 87.02 7073.87 3847.75 3050.5 174.34 81.35 85135.83 3760.56 51.38 2390.23 51.44 10958.86 71.69 108.19 6349.4 145.01 319.37 5473 6096.84 259.93 315.83 3408.25 7631.2 3180.92 630.49 8443.58 87.08 3864.58 58.79 101.82 5267.95 518.68 2915.58 4600.8 66.21 5878.72 82.94 875.96 4056.61 4971.67 5257.14 23232.77 22780.67 22552.27 22772.3 21982.4 21815.81 21990.62 21799.83 21793.25 3-Aminosalicylic acid 46602.84 72878.51 97737.22 126809.39 28619.39 6211.99 40288.46 41707.74 35487.74 43229.13 72250.7 32762.07 49574.91 76256.48 97881.95 86602.19 82739.25 69562.58 19311.85 15491.48 30782.28 13074.61 34585.58 74206.01 40319.92 34522.57 57618.91 46042.21 35580.33 23660.88 36786.11 23215.87 37776.63 81151.53 77180.06 36495.68 69260.87 56406.9 98078.41 139549.82 26125.01 22426.99 92526.61 118931.69 46697.95 63538.66 84159.8 57140.11 28146.9 20251.86 57460.54 84639.08 80316.57 84619.36 89847.52 98310.25 149217.09 135445.22 26093.78 51557.08 81487.38 123339.95 142897.5 124159.32 70845.44 81826.22 63271.06 63688.52 75605.92 83440.81 91732.8 40513.21 139273.76 74419.16 119560.19 57523.94 57438.37 55986.01 57416.05 57393.07 55160.98 57693.67 52780.24 57020.18 3-(3-Methoxyphenyl)Propionic Acid 14578.47 20461.88 16263.45 17574.74 18622.72 17022.79 1887.08 2004.39 13198.7 6225.98 12965.96 15631.44 19680.3 19090.18 19591.85 4147.68 17339.14 12391.11 22845.28 9098.45 5457.19 16980.86 16416.82 19943.53 15910.64 11177.66 17118.05 15873.13 22085.28 1641.61 11032.06 14644.46 15555.41 26023.24 19491.15 24558.97 17910.71 14292.48 19876.7 21964.22 7906.61 15849.22 21177.13 16585 14985.93 16765.88 15527.08 31049.82 17031.83 18128.22 12346.66 16442.8 25498.29 19127.13 5830.74 18677.14 12546.05 13158.74 5762.5 16482.24 25242.11 18833.28 17310.3 15774.44 17532.08 17506.21 13637.58 17707.03 15752.63 16994.25 13865.91 5771.27 13669.87 18122.72 16516.97 11327.95 12621.79 13029.55 12391.65 12523.3 11986.89 4817.9 13089.94 12670.19 3-Vinyl-1,2-dithiacyclohex-4-ene 498301.9 520198.54 417916.31 403262.69 478992.62 432676.9 407791.25 465601.97 403321.58 381643.37 116988.26 109325.16 103752.73 450416.21 393317.03 429597.42 380333.62 401281.82 454335.4 403539.85 424397.78 276316.07 323419.85 444344.26 490575.63 439966.26 472204.12 484310.49 468416.06 458938.23 506402.75 403955.69 319212.69 430470.52 433707.33 425641.9 419281.66 453760.91 492849.75 484123.31 448537.53 443044.94 428972.24 404998.47 520678.78 489770.15 388694.72 463714.45 371821.36 403927.48 482379.85 397062.17 408540.39 370429.8 476303.25 416075.61 444874.63 399302.05 581197.83 411585.12 389281.09 418192.91 368847.67 437061.72 423209.08 400230.66 383308.27 381706.36 198974.88 403336.72 363146.73 402993.9 389101.06 432683.78 408214.8 101290.41 112277.28 112094.08 103218.18 117496.22 97388.19 101533.35 107415.34 128360.61 131015.88 204075.9 150891.3 129027.47 140060.17 142194.15 56329.84 102823.94 100818.33 99429.27 292952.73 101750.06 92223.89 103203.45 146159.24 319362.04 406024.24 398985.97 398874.22 401336.12 399005.84 402055.62 430740.94 399697.28 398861.04 gamma-Undecalactone 16595.13 18037.63 25992.83 26822.12 14332.06 15394.83 27753.88 21266.31 14472.85 30995.97 29837.64 27299.58 41418.56 34064.52 15956.96 28002.58 21622.55 14645.2 32270.72 13820.79 13615.27 18762.25 34305.17 28728.08 19182.92 20592.56 29347.39 34130.18 19651.51 6344.51 9919.15 43390.13 12795.17 39270.3 30652.81 20397.38 17448.9 17600.9 31894.25 25998.95 5537.92 27154.9 33305.14 27768.05 15983.69 29513.57 14758.86 27995.47 25705.14 36594.86 18463.78 23326.59 35159.93 35902.87 16165.48 19879.4 24597.29 21911.94 12950.11 13090.3 25247.34 28786.37 16441.73 37189.16 15686.75 22070.03 8662.16 31476.49 27965.8 15040.18 11845.12 31075.92 24508.84 29858.14 33159.02 22295.05 22185.49 21617.93 22184.32 22363.25 22306.88 22185.61 22057.65 22295.72 Friedelin 6275.44 5386.45 2214.2 8637.34 3397.35 3536.73 5131.6 7117.53 7953 6103.3 8848.04 5676.96 3667.53 6819.13 7920.94 3220.97 5632.06 8056.68 3198.99 10093.93 12597.39 3637.3 1467.25 5582.63 4099.09 9046.65 6205.78 3593.18 5460.75 4381.08 1280.56 6405.86 13352.24 4938.4 9951.35 7620.94 6721.63 7271.66 6629 6198.25 1199.3 2795.51 3767.15 6914.75 3750.09 1374.08 4189.16 4120.82 5617.29 3835.95 5350.72 7442.03 5263.5 3381.51 6351 5212.8 4820.41 1284.66 3082.57 11113.5 3779.09 10030.01 6107.92 4843.61 1167.15 3576.59 5367.44 7645.8 8367.85 9104.94 8826.15 8756.31 4033.69 3317.37 1184.88 6280.96 5856.32 5846.61 5939.61 6310.74 6089.46 5736.77 5864.61 6237.49 3-[(1-Carboxyvinyl)oxy]benzoic acid 2383.11 3593.99 3346.51 3077.02 612.33 1110.08 4312.4 6034.17 741.1 2957.6 5468.66 2973.66 2855.37 3593.19 2447.98 2932.74 2510.45 1378.08 1343.86 1436 3447.6 1930.23 3794.07 2794.09 2720.49 1863.73 4225.86 2986.11 3615.81 3317.74 2425.49 1487.29 1809.21 2955.93 3711.06 1534.72 2380.35 3491.32 4015.92 3920.23 1658.27 2062.15 2561.18 1853.48 2390.79 2494.42 1497.98 4205.92 2314.01 2115.15 1271.31 1930.91 2631.24 2884.57 4201.37 3018.42 3151.21 3304.17 1575.06 3419.69 3551.6 4037.39 1790.09 2425.22 4472.38 3867.5 2257.46 7032.24 3060.05 1754.62 1744.18 2461.72 1875.49 2791.1 3305.37 4944.96 7901.08 5380.99 5314.69 5326.07 5195.38 5082.37 5236.73 5347.65 4989.28 6228.82 5223.87 6300.74 4720.94 5148.48 4773.23 5307.83 5117.41 5153.26 5581.07 5411.73 5094.2 5380.7 5303.86 5132.09 2705.1 2818.83 2709.83 2855.85 3079.17 2872.4 2748.37 2801.78 2860.55 Bovinic acid 4345.43 5862.47 73360.75 32989.06 33854.59 7950.9 3542.19 2560.99 813.81 4022.15 3196.06 8354.39 19602.79 12535.24 4507.21 14169.36 27374.02 3671.28 6428.67 2555.16 6612.35 9970.1 23649.69 38833.99 2129.48 1693.98 2402.74 16042.01 11836.43 4553.09 3766.07 7229.29 1879.96 6545.87 4396.93 1426.33 4184.76 8511.15 12991.43 5111.36 6031.3 4853.13 6512.16 15097.78 8363.47 13638.1 3982.89 7248.57 7695.96 4879.78 2349.78 11580.14 7339.66 9619.83 7520.62 6926.49 61462.96 10207.5 1798.96 3300.56 35060.09 17622.51 8297.5 2096.49 4460.25 9886.06 4388.67 25011.49 6625.27 1748.47 598.18 3000.26 7015.61 9249.15 12370.4 13009.62 12766.43 13272.09 13064.99 12962.7 12894.06 12897.81 13035.35 13059.94 alpha-Pyrrolidinopropiophenone 4636.46 3689.06 3110.18 3654.57 3674.82 4180.21 3272.86 3834.36 4866.3 3560.08 3354.23 2983.99 4148.98 5525.88 2129.67 4054.1 2517.54 3744.93 6140.52 1442.78 2199.92 2869.74 3437.36 3398.53 3341 3515.59 3717.96 3723.13 4545.08 2128.14 4422.46 7897.6 2277.93 3473.9 3612.29 5426.8 3537.2 3281.76 3164.21 3158.7 2282.03 5882.99 3567.03 3520.38 4948.38 4281.25 4119.71 3960.41 4307.19 6890.31 4531.37 4469.79 4115.79 4761.39 3460.99 3586.6 2523.99 2764.26 2759.36 1207.06 2543.31 2770.15 3087.14 2820.48 1553.79 4466.21 2491.34 2971.58 3589.82 3401.33 3875.24 1168.92 3985.41 4117.54 4122.66 3734.33 3847.14 3919.57 3920.03 3853.58 4039.8 3848.85 3920.34 3849.88 Catalpol 2594.45 2560.84 1668.38 730.65 6238.94 4101.83 1769.15 2400.85 2737.12 3208.27 2080.32 1680.17 2182.15 1676.8 8465.78 1258.13 2524.92 4155.1 3070.73 7228.17 4090.41 2478.94 780.86 1454.88 3971.88 3059.66 1417.5 2639.32 4832 683.78 3292.46 2260.85 3715.06 1721.11 1210.24 4153.95 4598.49 1779.49 2938.69 4750.1 843.29 3837.9 1842.68 1863.42 4657.68 2555.6 2379.03 1472.2 8987.3 876.47 2081.42 1797.79 1944.24 1888.47 2626.67 4337.41 532.28 1412.47 3605.26 1923.98 2143.91 1998.53 946.49 544.6 1827.46 4174.03 4130.4 1488.07 1266.74 2691.93 3701.82 6996.93 2190.47 1557.54 2604.95 18925.01 9250.94 13169.54 16802.93 14555.35 12578.7 12630.07 13909.61 12428.63 18065.37 10133.81 17448.24 13284.54 19748.15 11868.94 10428.01 13633.56 13752.74 15117.4 18798.23 14146.81 12712.35 13386.77 27269.37 12698.12 2346.87 2824.04 2104.04 2313.31 2438.23 2437.68 2561.83 1410.27 2428.25 Amitriptyline 96005.87 87082.08 60122.17 6266.05 340509.46 15092.04 314122.52 69463.76 149157.64 69027.2 56546.32 101079.24 95390.26 101251.97 1598.1 205833.03 47222.05 137466.54 70790 109325.71 20544.23 67030.15 56116.87 98920.1 2188.67 92405.83 64546.85 96052.56 73105.4 119232.52 179548.57 95879.91 78844.39 75737.16 149494.61 36206.25 42128.43 102353.18 56081.69 59325.68 158426.27 129143.71 76578.4 92507.96 121849.34 107771.37 86024.61 82528.59 72312.05 229472.77 67289.53 106140.22 107511.25 250768.98 36402.46 82144.14 80738.27 116834.72 16935.67 66119.71 68478.61 43642.6 59484.42 47191.9 53791.06 84211.33 157391.39 91070.21 104111.47 36563.61 56000.75 58075.83 93593.24 64710.69 77074.33 80412.06 83488.5 88676.58 87262.61 84069.99 82280.39 86956.34 84098.83 87235.08 Homotropine 6084.74 7297.48 5271.27 3159.09 1784.32 12634.55 8284.9 19045.05 3012.48 8053.57 2982.88 14223.61 3264.52 6775 54354.97 11734.2 4133.83 41615.62 51108.77 15807.8 17708.69 33383.58 3215.41 18349.12 19982.99 1484.74 3856.15 2164.93 38828.17 6611.9 9555.77 61536.37 31619.58 1033.15 1519.48 22473.62 2902.1 2315.53 4844.09 842.43 6831.44 11727.06 10670.06 2577.43 35501.19 6463.22 9728.12 24548.98 4241.23 7328.33 8324.46 9291.66 10853.42 5618.97 3600.7 25116.12 4042.22 4436.2 32837.19 4585.67 2276.04 1186.72 4565.31 10898.67 4204.74 6600.84 13353.67 5075.22 4405.59 8245.7 5518.49 10628.35 5749.11 1540.42 9299.71 4953.04 5869.86 6907.54 9218.15 6602.88 7258.97 6928.29 5490.2 5921.53 Einecs 234-275-5 775.54 1184.26 3359.75 9333.81 10758.59 1353.6 9893.19 3413.87 4203.94 1949.7 1518.43 1887.08 3082.6 2012.58 2398.77 2585.71 543.95 742.01 2945.45 3099 3506.81 1150.4 2516.17 2240.63 6995.07 3484.01 8119.29 1166.09 2520.09 589.43 6017.12 1882.39 1423.69 4611.44 8035.34 3205.98 2912.8 1812.94 2674.43 3738.77 4761.11 5105.81 524 4694.26 1641.4 3725.82 9273.53 5974.6 32450.7 3365.98 2218.83 1288.35 10305.21 1191.61 1185.22 1636.11 2050.5 1623.45 2132.69 2646.71 7144.38 4108.79 1892.43 4267.24 1091.67 791.28 1014.48 2239 3872.03 3066.91 3203.15 1811.69 7513.21 43293.7 23732.8 3143.28 2799.92 2896.91 2960.87 2935.84 2584.69 2461.97 2584.65 3290.68 Benfuresate 2151.24 5214.04 3646.21 1037.01 6652.34 4718.36 6761.29 5763.2 1348.83 4159.02 4384.72 5352.97 5370.77 5120.71 3913.63 4007.11 4194.97 4431.03 6568.13 1319.33 978.23 3570.23 3979.38 5506.93 5447.55 3465.02 7533 4899.2 3357.64 971.21 2576.85 5616.31 2831.94 2355.17 3428.62 6053.18 3291.81 2426.61 4429.76 5032.75 1454.69 6015.34 6465.99 4295.76 3939.17 3569.1 4423.96 7161.94 4911.59 4066.33 3421.98 4515.16 5231.17 5341.12 3629.04 4287.78 2362.11 3295.32 1614.84 2963.84 4322.12 6238.02 3676.2 4914.27 4667.75 5208.24 3742.13 5099.28 3706.15 3756.85 3193.49 4990.3 2961.25 5902.98 3970.64 4507.13 4755.85 4815.25 4827.81 4800.91 4494.23 5101.08 4586.29 4584.11 Manoalide 5629.99 2684.54 1212.65 1309.07 16239.54 2459.25 9783.33 6078.14 4236.73 3235.3 2751.2 2720.24 3449.81 2937.39 7512.98 2809.19 3055.86 3024.04 2487.38 3908.97 3417.3 1929.89 1598.78 2533.22 2378.27 2276.63 1487.7 2348.79 5347.52 3481.71 2881.66 2760.24 2294.51 4526.79 1887.05 5638.74 4593.77 985.07 380.58 994.49 1290.49 5683.54 1457.2 1779.26 476.48 437.1 6124.12 2320.59 3395.67 7301.78 8191.19 2728.61 1839.86 2513.66 3234.37 1398.24 876.53 373.2 4841.27 1401.1 643.83 3721.11 5717.45 1074.78 896.67 3557.19 4534.33 993.49 2650.51 4322.69 3939.21 4562.07 8079.86 2589.26 3464.71 4035.81 4407.07 4125.21 4127.58 4156.26 4202.45 4149.37 4119.88 4197.87 2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone 4279.83 6261.16 14055 10385.83 717.5 556.04 3214.44 2634.36 5293.52 2996 2981.78 4052.81 644.5 6196.81 4732.63 6448.84 4530.66 7454.31 922.01 750.11 500 514.12 4528.85 6758.83 4668.57 4651.81 5382.4 4704.54 2698.77 821.2 4044.79 1861.37 1034.62 7983.48 9537.52 3635.33 4264.32 2052.54 3776.39 7224.91 756.33 986.32 8498.63 5127.04 2811.68 5053.32 2968.12 5446.36 1656.52 2126.88 3721.21 2594.4 6626.48 6376.23 5206.34 6970.58 5996.36 8363.01 3341.92 5312.71 5214.76 7041.02 6852.25 12134.24 6834.86 4277.81 5276.55 5612.2 6813.88 4445.34 1000.09 4571.27 6491.02 9857.94 7533.84 5371.31 5535.82 5393.41 5351.82 5516.04 5349.98 5867.79 5524.61 5517.4 7-Xylosyltaxol B 770.67 954.51 1616.89 1410.38 3667.58 1067.59 6307.86 6245.83 4806.18 9051.6 4874.73 537.18 1691.4 1948.87 1024.28 2786.78 2884.16 3611.14 2106.63 1347.24 2246.11 1094.9 1293.78 1469.75 3967.05 756.27 2373.39 3406.58 1193.62 2386.46 1765.49 700.5 906.21 7700.31 7075.24 10052.35 15648.29 7239.89 3402.83 4890.15 3898.94 19353.87 6013.27 6357.75 11864.9 10706.97 12039.22 11649.35 3988.99 7877.87 12411.77 8901.18 3273.34 7044.25 26322.97 9508.94 6736.45 5632.18 18299.73 3686.64 6986.07 8773.55 23681.25 7642.09 5168.45 12158.94 6835.77 4884.15 7944.99 22691.87 5989.17 8486.86 7632.83 7829.28 8639.88 10952.17 10774.16 12485.26 10970.39 11291.49 11270.42 11118.31 11280.17 11277.49 2-[3-[(4-ethoxycarbonylphenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienyl]acetic Acid 6704.43 22200.99 8934.14 11531.16 22277.91 24157.75 18575.58 10864.89 17285.39 19128.69 18654.82 22288.27 24331.61 11947.68 21437.27 26445.69 11797.14 18398.01 35698.2 25672.29 25378.28 16665.88 16509.2 12897.49 6809.15 29740.82 17680.55 20771.14 32075.49 17115 22704.2 7629.79 12024.48 15718.03 16462.68 2957.47 27937.78 21637.96 18676.57 7030 12563.59 4298.07 13506.58 13109.41 28267.33 13478.74 14348.63 19046.66 25058.63 39616.52 1452.91 18243.37 11308.98 14874.49 16143 25894.8 7747.79 7464.89 8516.43 7745.74 8462.39 15205.76 20315.36 13069.13 10308.88 29461.6 33641.36 23679.66 19273.39 21049.99 18027.12 20260.14 13133.01 11855.97 16420.05 18211.15 15394.93 18781.39 18125.17 18148.75 18200.07 18992.07 18199.85 18462.83 Gly-Gly-Ile 5811 13584.5 11318.2 12463.47 11793.53 10691.59 11053.19 10143.08 9513.42 10425 10856.08 9300.59 8940.28 11109.52 6883.56 11578.65 9016.73 7299.59 11395.85 13998.2 9941.65 4614.55 6817.16 5317.58 5372.93 5279.11 10671.19 11799.1 7747.31 5529.82 6900.09 15062.43 6171.59 12949.72 12006.96 7662.44 7758.06 7327.64 9984.41 10629.39 10533.88 15280.37 18234.18 11466.83 9425.14 16946.53 8195.83 14113.96 9040.17 16959.26 8363.65 11083.99 14572.86 16962.82 7260.22 9965.34 8207.88 8304.76 5407.23 5075.47 7909.25 7800.36 7437.65 12373.14 13402.96 10858.31 8805.86 10529.13 10213.81 9151.97 6366.57 10301.73 12476.75 13647.19 18947.38 9254.14 10064.55 9847.32 6408.15 11179.67 9597.25 10090.9 9632.79 9968.06 Tyrphostin B44, (-) enantiomer 5603.62 2343.16 1318.39 2691.49 1012.66 3208.06 3144.03 9817.69 7146.88 7842.71 3710.16 5995.94 1494.23 1999.85 2740.14 4859.89 1470.85 3254.69 3385.61 977.41 8270.07 3496.92 2679.69 4112.02 5922.47 3408.5 2249.6 4672.36 3632.1 15053.69 5519.61 16001.82 3397.91 11165.34 2351.35 6020.47 8575.18 4457.29 3071.07 3139.37 2961.94 12166.95 4959.1 3397.92 8604.98 2396.45 4849.14 4182.61 10246.82 8125.14 11893.38 5627.23 4162.1 1724.24 4200.33 3162.65 1310.54 2595.37 9989.89 2804.89 2959.9 4422.46 4339.45 4688.03 3759.8 4734.59 4392.5 4409.96 7791.07 5851.83 3801.71 5705.41 4760.06 2758.65 4773.03 5508.21 5642.84 4430.86 5447.69 5470.55 5867.84 5570.7 5621.48 5437.53 Batyl alcohol 1039.6 1378.82 2833.88 2041.72 823.77 767.69 8701.42 1306.89 1299.77 2008.41 2542.8 3724.14 4347.17 2052.27 709.45 4827.62 2187.82 2408.23 3533.75 2942.59 1043.01 823.76 2680 3063.55 427.82 556.51 2920.25 2894.03 3943.91 2237.32 2503.61 3398.28 461.95 3327.89 1904.67 4070.46 728.97 443.84 2104.46 3668.74 3459.54 1820.28 3187.45 2375.98 3029.07 1588.32 3787.08 3793.98 1426.31 4813.19 697.7 1060.74 2912.52 3743.38 576.85 1136.92 2518.21 1735.49 1669.05 667.19 2865.51 3601.65 1055.85 2762.97 1338.03 1851.26 1521.08 2660.64 3302.01 1138 697.92 2552.32 1920.54 2466.05 4237.99 3008.96 3022.52 3024.27 2981.28 3023.47 2808.07 2983.07 3032.39 3008.05 N-Acetylcysteine 78096.19 74917.29 83775.4 72670.48 84555.09 64217.46 33832.1 41776.19 90231.42 83230.12 19803.96 76649.7 77755.08 80610.25 76286.17 72147.14 73588.25 76182.71 85042.8 74680.88 33982.58 63391.81 72145.09 79788.13 84531.07 87024.69 88938.29 78204.72 81075.56 64118.92 65814.16 76961.31 70124.7 86282.95 72685.63 85544.77 71527.38 43032.9 76912.48 66000.37 63465.52 66966.9 82408.88 86549.82 70801.38 67576.34 90225.83 81302.94 59527.25 68094.61 71218.73 70282.55 72640.6 57507.45 27521.92 76457.35 78356.55 70435.34 73472.95 56480.58 70224.66 69414.94 70251.03 78211.29 78410.17 76563.56 58234.08 83007.76 68610.87 77827.9 73711.47 68742.86 55378.21 56627.01 72597.99 73270.11 72949.79 73274.03 72948.93 72999.31 72955.53 72950.29 72952.7 73771.83 Isopropyl hexadecanoate 1065.06 22931.73 2928.56 1979.62 34415.76 43889.02 14882.83 18863.13 7303.26 10016.92 4690.17 382.08 561.68 3822.56 29345.84 8125.34 2098.19 70533.34 33983.48 27617.62 21747.47 6069.31 1428.38 4375.18 5501.06 3974.44 4381.33 13098.55 8067.69 6376.15 588.26 9276.26 12438.01 6034.41 5313.06 12311.71 3845.9 9401.04 3643.2 20940.04 13405.37 16820.58 7829.84 4029.94 4677.37 4865.67 15902.62 12454.99 6511.02 12042.8 15253.35 16897.97 3305.57 2988.4 17997.28 58685.59 1788.69 8458.97 28300.13 10808.55 2444.71 970.15 11368.91 21022.09 23667.08 15058.16 3765.02 1004 6643.88 8572.79 18977.18 7226.26 6733.94 21613.5 11762.59 12515.26 14085.64 13740.4 14269.01 14339.77 13266.94 15117.23 14360.29 13041.95 Ergosterol 22155.31 40810.35 15358.96 24244.08 16199.08 7922.72 8621.87 14370.07 11572.32 9237.09 8208.49 15928.69 24539.91 36321.43 47105.12 26136.96 31317.87 75188.41 25089.18 59599.62 15238.24 14676.27 5363.31 15863.44 13405.25 13716.33 9754.44 9992.27 24851.05 27838.34 64705.36 47884.66 7309.61 6997.67 14405.32 24623.47 11665 10930.56 8700.68 19534.08 69026.47 34464.05 22064.29 24559.43 49069.72 18778.23 45564.36 27063.7 6090.91 49881.36 11986.5 25249.42 15032.58 26146.49 33484.88 55468.8 20060.15 25225.75 11757.57 18980.82 15209.1 13157.21 31897.81 22653.29 26715.98 35866.85 48513.92 16603.97 37785.1 14991.93 12460.52 13226.52 12286.9 23477.05 22731.17 26082.54 25749.63 25906.69 25747.11 25749.53 25938.48 25669.9 25905.28 25752.25 2,4,14-Eicosatrienoic acid isobutylamide 562.85 1027.23 1098.88 3131.89 576.23 1530.88 645.92 1255.22 1119.22 987.54 1405.6 1943.71 961.46 2242.73 700.95 1111.48 1916.13 994.35 462.11 2661.39 1483.54 2501.23 824.7 1336.58 1364.12 448.87 1432.54 2657.54 596.31 1189.82 714.45 1226.75 544.22 1250.24 1516.67 1923.78 2017.76 901.17 1126.69 1872.79 993.9 1561.71 1818.97 2022.22 1450.35 1355.78 2569.07 964.56 1091.97 1394.51 2175.4 1314.69 1385.91 1129.18 2526.35 2134.11 1628.63 2491.08 2173.27 1878.96 1051.58 1336.54 3817.59 1645.53 1632.7 2009.68 1238.9 1233.17 2821.08 3522.69 912.71 2154.66 1016.99 1897.55 2058.84 1660.94 1897.39 1709.12 1682.11 1669.11 1664.06 1685.59 1679.42 1660.88 Benfluorex 6325.17 16155.66 21027.5 2347.81 9273.9 21334.71 11420.6 9472.44 8817.57 8713.74 4692.09 3536.58 778.6 2065.17 18224.34 3217.27 12603.95 3287.81 23259.87 1397.04 5540.24 28068.16 17661.7 11427.61 713.09 6824.74 13961.47 18267.41 18559.05 2808.48 1290.56 4446.69 24802.04 19613.71 30071.94 10474.46 3524.78 34003.85 9088.3 7771.08 10118.31 6441.79 17663.55 14610.37 15861.67 8807.68 23729.3 9856.1 13747.24 22787.14 3480.48 18483.98 15069.94 11285.37 5393.11 14840.27 14491.68 20628.35 14456.41 16428.45 15772.1 12794.85 14394.22 12574.25 12504.78 6957.64 13253.64 8177.27 12869.45 6705.06 14253.26 12728.9 12790.55 12984.96 12482.48 14350.05 14568.97 15024.17 13928.51 14262.7 14196.73 15078.97 14072.15 10545.63 Isorhynchophylline 886.22 912.27 890.08 1203.17 1050.17 18012.13 2902.64 2058.55 294.26 343.7 963.55 342.5 397.54 117.42 1081.75 188.42 681.5 367.17 576.88 306.83 793.63 5075.46 502.52 324.64 569.72 367.5 417.14 314.79 508.2 1215.98 543.86 14247.41 152.35 903.21 450.6 1553.93 559.62 924.15 370.18 995.64 528.72 1456.33 151.89 1254.13 219.43 1393.45 284.23 203.2 705.4 280.34 704.21 608.52 517.06 1713.31 153.28 688.62 453.81 538.11 302.36 423.61 661.39 603.96 579.91 237.34 437.4 877.86 916.1 534.32 910.73 476.21 135.61 1020.44 257.19 565 347.02 3363.19 3378.21 3301.64 3360.52 3311.4 3303.85 3368.72 3359.61 3301.25 Fasciculic acid B 3445.07 2499.73 1593.24 1667.75 2297.93 2973.49 2458.11 2020.6 809.88 1365.1 1661.41 1609.2 2035.44 850.57 413.48 995.36 980.6 1528.61 1077.82 1538.84 1671.77 1823.63 1782.08 2134.25 1924.69 1780.57 2643.2 2261.15 2318.37 1788.27 2649.83 1756.19 993.68 922.35 517.25 2073.46 1970.56 1114.24 1440.8 1823.05 1168.31 2279.39 892.22 1227.48 807.81 405.97 1254.68 1632.16 1108.15 682.6 2274.28 2441.62 601.56 1506.11 612.55 1438.39 1124.54 802.47 1599.29 849.47 396.72 1019.2 2232.29 860.02 354.63 1948.73 1899.13 1616.39 431.31 2053.01 858.16 1441.56 2400.02 544.45 1637.7 4742.95 14598.51 6770.25 4246.43 4089.7 5168.58 4632.61 6303.95 5317.7 3637.46 7451.4 5252.11 4529.13 3951.33 5450.61 6433.27 4508.22 5863.92 6114.36 5070.83 4320.11 3732.83 4643.04 5428.42 5808.57 3280.14 3206.81 3186 3288.5 3197.81 3284.65 3241.77 3204.44 3199.01 Alverine 17950.96 38396.71 298396.63 118484.47 34239.29 11026.4 43171.77 9994.2 3166.28 16148.65 4802.7 24494.22 74698 32304.57 10971.3 64331.71 98060.99 7774.71 19419.12 1033.73 14589.59 53600.01 88590.95 65841.09 7664.91 7451.37 10991.13 24003.48 35271.13 13968.01 7773.98 18975.78 3222.34 38310.37 11007.09 3589.15 9178.69 24145.87 47228.09 10011.33 7384.7 11574.26 20656.4 48755.23 16828.87 37946.24 7664.17 21627.97 22137.88 18019.18 15208.46 43253.62 32018.4 20624.49 36774.51 18160.34 247755.09 28024.3 21658.11 22425.84 133438.42 59371.51 15514.68 11902.88 7342.95 44616.83 11410.96 23341.68 21680.76 18897.55 19351.77 4154.94 17550.01 28294.97 38351.76 47024.28 47074.39 49235.18 49464.88 47732.81 49673.97 46940.9 49626.82 49417.35 NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside 12633.83 5118.94 3508.95 6130.96 13832.61 12317.17 5007.03 26332.96 22196.61 14662.5 5372.09 3954.28 2001.39 10785.28 7574.52 12124.66 2469.85 6102.15 10618.89 25555.01 17079.84 5915.75 1374.11 3515.81 16068.15 14863.3 9829.87 9204.63 8209.2 2919.42 6813.55 9934.07 14934.61 1664.75 3675.29 13284.32 16755.14 16941.36 6069.05 2181.08 13863.97 18436.31 7272.35 7755.57 17321.77 2503.84 7111.86 10502.1 7810.92 16289.25 10274.8 19359.66 5605.75 9650.04 15444.06 11738.16 3901.63 979.95 16331.52 5357.53 5859.94 7020.77 4771.68 2072.25 12772.14 11648.82 19563.3 4499.32 4717.09 16625.01 14139.03 11035.63 5052.29 2527.69 1668.98 13670.65 15216.88 24917.84 28807.43 24851.91 23822.04 33787.86 40261.05 23051.84 12901.1 23887.42 13415.74 12283.56 35841.65 22567.57 23891.76 22006.96 24580.2 46777.89 30144.28 26215.19 42905.98 35741.37 53447.56 26003.69 9788.04 10508.91 11199.99 6451.04 9887.61 10690.32 10533.86 10573.22 9393.41 Cordycepin 5428.19 3553.66 10999.9 6701.2 2655.37 2683.34 1882.71 4822.63 5080.62 7933.38 12790.93 3263.74 5414.88 12181.18 3948.45 14609.43 8603.16 3711.73 4074.51 2287.31 6722.45 4269.21 9098.33 11308.87 1966.58 3311.08 4432.32 8365.62 5799.95 4014.44 3086.2 4211.15 3725.35 11803.94 14042.73 2246.28 5719.75 4507.34 11276.23 8422.69 2910.64 6985.75 15381.59 7093.83 4164.26 7306.59 3642.47 7473.87 5741 10446.59 10397.45 5623.34 13756.41 10339.89 5130.39 4737.59 7534.64 5428.39 5065.03 5186.8 9551.24 13220.74 7296.91 15429.51 9647.64 8044.3 4990.94 12801.8 8419.79 5343.62 4805.15 9950.07 9510.58 7154.99 5249.41 7145.21 7486.76 7361.45 7142.81 7295.48 7402.34 7143.29 7490.76 7151.77 Sesamin 5353.15 9847.7 14641.19 4570.34 7111.51 5432.3 4417.6 3613.43 8974.24 4389.89 4634.73 648.37 5139.26 688 9309.46 6446.77 9103.74 1844.6 8175.98 6161.14 4876.3 14905.68 10274.91 8625.71 6711.98 5351.66 9970.63 11511.74 10910.72 4206.48 3814.44 4577.79 12252.56 11416.1 15615.46 4400.17 4018.9 18681.75 6412.54 6052.8 4420.97 1059.93 11349.35 9241.53 8364.88 4332.96 13235.89 4585.81 7709.85 11282.94 3148.83 8821.58 8614.29 6931.94 4234.73 8446.79 7964.54 12755.92 9366.25 10556.16 9760.54 7842.78 8402.1 9710 9760.57 5651.59 8548.65 4183.47 10479.05 5077.55 8180.99 6476.05 8081 10888.6 6218.74 8793.19 8696.26 8602 8567.42 8813.13 8794.27 8602.85 8809.15 8716.06 Soyasapogenol B 796.48 514.31 1959.26 1896.06 3519.16 12139.88 3975.26 1676.98 2170.23 1595.85 1328.3 1418.24 856.58 1273.91 1014.98 1157.37 1480.35 2749.67 6458.69 1708.83 1279.21 6901.37 3057.99 867.36 1089.46 558.46 2790.63 1554.82 484.71 343.19 1317.73 3760.97 1660.87 6263.75 3882.68 2499.93 1316.94 3770.3 1244.21 2283.37 3427.34 3872.2 5681.48 1437.51 3451.74 4386.91 1946.67 5237.24 5019.66 4535.57 2113.72 3312.62 5293.6 5955.37 1061.69 5162.37 5747.2 7222.05 1523.05 2094.51 2535.11 3369.24 7118.18 7259.78 4344.25 2967.68 1905.23 4576.9 2490.55 2158.75 1572.14 3001.96 3081.66 7426.85 7961.01 2495.52 2512.52 2785.8 1878.48 2219.65 2027.71 2255.85 1983.17 3232.89 2475.11 1649.81 2088.31 2010.59 2570.8 3394.89 1314.08 3474.28 2676.21 1776.51 4457.62 2098.12 3910.2 4258.61 2820.78 2888.93 4992.62 4795.97 6496.57 4990.55 4968.2 4581.07 4391.7 4259.1 5034.07 Benzimidazole 3436.51 2723.45 3665.49 4380.96 3365.23 3012.99 5357.39 3982.35 3191.38 4448.44 5763.11 4784.06 4368.93 4814.81 2643.57 5180.85 4067.76 2912.46 4835.54 3149.94 2936.73 1344.81 4504.14 4872.15 3885.07 2603.42 5472.22 6260.46 3536.52 4245.33 3122.57 5603.81 2376.21 4539.12 5061.05 3124.6 3237.55 2585.53 5112.27 4999.5 3214.26 4297.57 5833.35 4759.68 3317.15 4574.66 3117.07 4296.59 4810.59 6102.13 3739.99 2951.04 5405 5316.2 3063.12 2743.39 3454.11 3856.28 2710.52 1944.45 4325.43 3943.1 3233.09 4591.9 4567.05 3505.53 3547.13 5104.8 4810.95 3057.91 2800.66 4837.96 4657.38 5247.89 4775.3 4236.84 4242.79 4245.98 4330.52 4213.79 4215.12 4044.07 4244.52 4183.36 8,9-Epoxyeicosatrienoic acid 1095.1 2607.89 9037.6 3519.59 3657.95 1762.24 2367.58 2891.71 3753.1 2666.74 1752.92 736.55 1085.09 2320.43 1633.9 2361.97 5414.39 1116.79 1285.6 2347.79 2129.8 2229.09 1308.96 4344.9 2586.81 1812.2 1807.35 1862.13 2359.33 2015.87 1098.56 2358.24 1334.67 1737.7 1968.44 2161.63 2623.23 1152.75 1074.86 3841.98 1739.73 2003.14 3801.47 2104.6 1531.67 2664.5 1179.02 1049.39 1507.74 1389.24 883.52 1898.76 1558.11 4099.58 1300.81 4068.41 6972.69 5542.74 872.69 4676.31 4927.96 1914.19 834.34 4242.3 2997.63 7847.53 4362.58 1369.04 1409.55 2330.92 1715.66 1315.93 3580.11 4780.69 1355.5 3104.16 3257.95 3265.14 2456.68 3060.85 3223.04 3257.09 3317.22 3260.62 Fenretinide 32861.5 8759.51 133361.27 28175.5 25563.64 21075.91 6085.48 64373.92 42714.02 28608.07 14470.07 9989.85 22493.89 3279.05 52540.52 25603.97 36211.02 21065.85 112838.13 14893.09 30747.03 2710.34 67484.33 63230.58 98547.84 61792.01 43964.99 43659.87 137681.33 12905.46 35265.8 69124.58 6062.06 114704.3 51685.65 141038 43949.66 8439.54 34090.2 29765.05 13770.81 25112.33 90741.19 17440.8 44199.94 33901.19 62709.71 82432.46 109002.31 142538.78 49540.9 39399.9 106305.41 56052.08 52544.43 29343.99 36846.1 21123.68 44430.01 1248.86 66557.67 21783.11 64415.9 135138.42 48755.01 30966.93 24743.52 25994.38 31197.25 62972.78 18453.42 34851.95 48495.12 50844.25 54781.5 25087.33 25176.34 23223.96 23742.9 25495.2 25395.59 23820.21 25026.43 19009.77 Psammaplin A 24047.89 6268.22 3619.03 3042.22 6054.58 13149.96 3734.81 15539.79 15926 21231.78 16690.4 13341.15 5542.27 6863.76 15253.81 15494.84 3062.05 6018.85 13827.49 12093.68 10100.28 10265.33 7941.07 7496.22 12729.33 9116.27 9987.91 11988.62 14611.68 952.44 14232.08 4199.54 2817.2 8298.87 2740.53 654.95 16961.41 2324.15 16309.94 16732.11 14681.25 28351.64 11637.61 10007.74 4789.57 7954.28 515.54 7067.5 29587.23 23049.74 8903.55 30578.26 14772.6 11761.03 10075.85 13197 2649.28 2449.71 15746.88 11817.31 17974.9 13182.52 19562.05 5962.69 4710.6 21581.42 16186.04 6173.46 3772.56 13352.64 10414.64 1849.8 13591.91 14092.19 3567.96 10171.74 10864.78 11128.6 11111.35 10671.81 10830.88 10577.83 11218.14 11499.02 1,2-Dilinoleoyl-SN-glycero-3-phosphocholine 892.71 2402.71 1610.67 2737.1 4306.36 5948.94 2697.18 1333.12 1600.49 1637.22 1516.76 2433 6021.02 3940.89 2281.13 2395 1491.44 3349.98 1771.58 1340.28 2509.41 3262.96 2535.56 10141.68 1422.31 3262.19 1618.7 1889.38 1533.27 2052.2 2774.09 4822.31 4934.11 4544.89 3537.23 3682.5 1135.2 1653.83 3037.23 2922.16 2784.14 5289.72 3595.23 2859.83 6397.34 5216.15 5312.68 4122.92 5462.98 15629.24 7720.29 2937.37 1899.65 4354.31 1696.01 2393.76 1592.16 3306.13 1071.86 1315.01 1803.75 1641.87 2843.97 3245.74 2961.64 2239.81 1813.87 1570.66 3566.48 1235.92 4791.75 3148.01 3560.25 5159.16 3672.81 4183.89 4017.48 4290.69 4165.59 4029.06 4176.69 4181.71 3419.42 4127.42 Ginsenoside Rh1 1111.71 810.24 3216.73 590.86 705.26 2345.89 2270.18 4662.85 3874.77 4251.06 3006.54 2306.57 1569.44 719.72 2161.62 2123.64 525.53 1376.73 1397.29 2224.79 2826.37 3662.96 2333.76 704.05 341.67 456.62 441.73 1483.14 452.34 2921.65 602.19 2245.61 2659.64 2846.94 600.77 2316.39 2108.2 2169.62 1577.38 586.3 1725.83 2412.26 805.58 2556.21 1508.2 1222.49 1847.2 2889.82 2981.99 5895.57 1815.05 4065.68 2194.57 4931.14 1455.46 1092.25 2620.17 1966.32 2430.09 4649.84 4024.46 877.68 2766.4 1899.21 2902 865.3 4859.21 3327.06 4136.62 1695.64 2648.96 1771.58 5749.57 3022.58 3087.88 3701.95 3266.45 3714.87 3959.48 4531.65 1973.51 2255.44 3742.18 3300.92 Dicyclomine 8681.42 9298.96 4305.04 5139.91 8198.09 12577.04 8570.43 9060.36 12485.22 12123.78 6068.02 7969.89 10336.37 4723.99 8855.32 9144.67 11022.58 7249.67 6838.29 11700.92 9763.35 7088.79 8342.68 6189.1 6839.45 8665.84 4732.33 4214.31 20028.73 8953.65 12181.33 14363.42 13245.02 15899.15 10555.48 6857.47 4841.46 4398.51 3904.39 3855.36 11234.88 13526.52 7614.1 5555.15 7943.88 5794.57 15097.7 11430.28 7819.74 9604.03 17937.87 12627.84 6789.03 14014.74 7278.97 6516.92 7498.61 4367.75 9714.25 6504.78 5405.38 4684.25 7808.19 7849.48 6265.78 9144.12 11296.19 7659.1 6453.4 6843.97 7859.52 9151.09 5951.09 5450.98 10437.23 9135.68 9236.41 9399.05 9135.79 9147.33 9137.38 9184.54 9238.42 9258.81 2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate 6149.59 3582.76 3407.97 36177.89 2449.19 12922.8 5187.89 1467.48 1417.47 3451.94 2329.92 1057.84 7143.14 2195.18 2158.4 15519.71 4308.77 1703.64 4019.08 164.79 125.01 1683.85 2824.53 1503.22 3177.12 2133.75 1985.31 1690.49 2439.37 6881.67 1916.37 40968 171.85 4638.22 7609.75 940.61 1595.3 868.04 1561.36 1427.01 22207.98 26373.81 1058.22 156.28 197.2 132069.05 184.86 1010.1 2346.89 10768.46 526.69 1145.06 1967.42 5669.95 1014.36 1551.26 1042.35 330.64 1261.88 1012.36 1430.33 1356.54 2141.64 1063.07 2528.11 20172.79 1254.6 812.73 2193.57 1428.21 807.18 126.73 128.18 15915.64 7129.38 8425.7 8824.17 8863.97 8831.05 8737.85 8738.56 8773.58 8741.07 8735.04 Protohypericin 1236.6 562.4 3314.78 2381.44 1388.01 1354.97 2384.33 827.54 2138.66 621.84 2795.82 1344.51 2680.77 2458.66 820.07 1040.72 1462.12 761.62 1128.96 944.88 565.68 1942.73 1876.71 1105.41 563.85 2693.63 3719.48 3728.38 1147.93 2593.84 1484.35 4311.08 593.8 3383.18 2124.44 533.94 1068.51 1370.12 2688.43 3476.17 1125.84 1139.58 3706.82 2014.31 1462.86 2866.24 592.84 3783.47 2918.37 3288.16 595.21 1109.37 2918.97 2159.64 1207.05 805.11 2200.37 2197.93 1015.16 961.57 961.77 1272.54 994.69 3501.95 2098.79 1160.83 1762.59 2108.77 2935.21 603.96 1146.21 2114.22 1722.72 2669.05 1696.64 1399.4 1393.61 1385.31 1555.12 1493.84 1465.09 1559.37 1464.38 1574.77 L-Alanyl-L-methionine 40434.98 86339.94 76226.77 33740.33 41687.16 15663.14 20580.18 37506.2 32790 43967.3 2133.94 19108.58 49222.85 29951.17 24148.78 15612.72 16827.65 27809.1 39917.74 14671.58 47754.77 8361.93 20101.76 50970.42 58017.58 32152.54 56647.45 52935.19 50469.85 52833.17 29743.34 32392.95 9831.74 67576.24 20270.12 85017.25 28372.49 10135.68 54245.99 91596.11 39552.22 24993.33 27465.66 23408.95 28273.6 22810.54 26116 39769.38 36199.3 18530.8 22476.39 19702.03 34286.95 16075.21 56524.59 34288.95 42189.51 25300.08 15770.39 15126.21 38200.03 60849.75 16316.06 15324.8 16534.7 38042.27 35005.31 72472.19 97166.69 30407.93 16170.11 21409.88 11356.22 19266.9 15815.14 33156.55 105172.91 66877.23 54182.2 52435.19 117277.32 90659.09 103374.52 74276.53 69857.42 63558.47 78578.82 100739.28 106089.98 100124.2 61484.38 68731.04 112169.09 72993.02 126455.75 78746.53 85797.89 82387.79 97342.08 125356.55 24759.97 24496.5 24563.98 23481.41 21634.18 24219.22 24133.39 24529.27 24566.49 N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine 977.42 612.97 6195.37 9880.74 786.92 15216.2 12015.68 2391.61 3763.62 6561.36 4339.79 8490.14 15303.53 5414.8 15474.73 25523.62 25360.13 13144.66 18153.47 30835.78 4942.9 9996.07 3609.74 5691.15 3987.77 23816.09 1975.48 7123.35 624.06 12759.65 4901.47 13886.9 14845.4 7343.42 8410.65 2759.3 4279.55 8410.44 3412.27 6701.06 19756.41 6141.46 8658.84 4465.43 8548.9 12697.27 17984.56 5671.73 7256.94 18361.45 7775.83 8722.36 9579.93 17756.84 5313.53 12195.81 8546.38 6944.5 11489.53 12168.69 4266.76 5273.22 2913.85 13155.93 5192.61 6435.44 3020.48 6058.32 4503.55 8492.41 5468 6460.86 3622.77 12211 6538.99 11030.98 10152.03 10686.03 10721.85 10512.04 10718.69 10509.7 10410.07 10787.64 Hydroxytyrosol 2575.4 3993.71 3593.99 3972.57 3443.12 3598.88 4684.83 4441.1 2451.24 4429.62 2749.15 4502.28 4838.57 3964.81 3950.35 3360.05 3417.49 3019.36 5390.73 911.51 1609.16 4776.21 3909.31 4956.35 3661.8 2397.76 4912.01 3815.35 4658.96 2145.46 1892.66 4006.93 3986.21 4489.04 4713.01 4375.79 1262.52 3408.53 4017.9 4011.6 917.31 3305.22 4440.84 3707.75 3281.28 3452.64 3455.17 4798.08 3404.83 4160.27 1996.45 3755.08 4366.04 4543.97 2881.15 3752.64 2264.81 2995.51 2584.53 2528.56 4834.83 5505.88 2487.68 3318.85 2877.18 4777.93 2578.66 4379.51 4049.27 2502.25 2810.77 3455.16 2388.13 5429.85 4498.24 3783.34 3944.12 3822.39 3867.96 3789.39 3862.8 3863.11 3867.75 3692.01 2',3'-DIDEOXYCYTIDINE 6189.1 7690.14 975.69 1083.49 6978.56 1318.3 1616.95 6805.16 10460.05 3033.23 1954.09 1582.55 1036.62 973.74 8432.02 2500.71 1299.63 6117.11 2883.28 8402.44 8179.07 384.41 1410.14 1545.09 4472.05 5347.87 1133.52 1405.54 9234.19 1394.5 5044.36 2532.53 4886.37 1443.44 1407.06 6840.78 7730.91 957.46 1397.1 1091.85 7285.53 11214.03 1184.94 729.22 8821.04 940.45 8601.24 2092.4 1234.43 6676.97 3488.64 1967.93 1061.77 1486.53 3767.58 4755.88 1839.99 1001.57 4833.77 1061.92 1072.18 2583.72 4165.73 3765.09 3577.59 6888.13 10601.28 1060.53 2884.7 6324.06 7738.19 4027.42 2758.92 2828.08 1473.08 5168.77 4785.32 4833.96 4838.92 4788.39 4706.18 4709.87 4703.88 4813.03 Monoacetyldapsone 6283.18 11596.67 13238.18 16562.08 2856.22 1251.96 15980.29 732.53 2717.94 2026.46 10592.1 5072.81 8625.95 9411.85 11763.2 13691.32 13339.91 694.68 5696.14 6183.32 2191.98 7089.33 3296.71 13482.61 6760.03 1236.93 6274.54 5468.33 554.02 648.2 913 824.7 4844.92 815.74 3648.3 5130.54 594.58 2897.98 11450.69 1891.3 1313.72 1215.23 10601.26 16210.22 1906.07 9457.25 1105.86 9493.89 589.61 2875.72 3732.9 9108.78 7053.98 3398.01 12886.04 11497.57 18018.82 10661.21 1719.61 10742.2 13960.88 8431.61 17646.66 3747.32 2151.4 11300.71 10915.51 14584.65 9043.28 1249.72 11735.78 8984.64 8142.17 2605.64 17517.69 7477.29 7551.89 7370.65 7804.89 7745.02 7610.17 7493.95 7513.42 7763.13 11beta-Hydroxyprogesterone 732.03 10455.42 18063.87 9958.09 42905.92 3264.38 16206.21 25758.7 8109.94 3550.96 5701.19 24919.25 25464.53 12008.01 11945.89 27527.06 17566.7 24922.53 37633.11 8187.18 19959.89 14774.17 22681.03 10646.7 16517.39 7171.84 4058.63 5037.77 41600.5 10408.28 602.49 16846.9 32641.21 25736.83 11950.74 42343.18 17035.49 10470.75 9868.58 5190.95 6983.6 7112.47 17610.25 3312.16 17831.3 12876.07 14892.58 37922.38 25347.74 19244.12 33231.43 44078.36 70988.43 24268.09 33591.18 12481.01 26706.4 3825.97 32366.89 5444.77 32066.38 24090.36 21387.74 46296.78 21179.7 16696.78 5548.36 4766.79 5250.58 33590.91 6788.67 5691.02 17206.5 10601.34 12568.76 21240.66 20725.52 20900.47 21236.24 21094.11 21542.4 20898.02 21340.49 20905.37 1-Eicosene 38318.74 45983.08 33823.1 30966.64 48361.27 50885.86 26163.62 31848.29 39735.69 36685.61 17933.23 23591.95 101715.22 39788.92 34237.05 34472.67 38623.61 36175.32 42326.02 37973.48 37786.36 22512.05 22280.61 26970.29 30852.08 44140.85 31488.84 36011.77 38635.55 42028.64 38348.03 53723.31 24677.62 36990.65 38659.81 40221.9 38030.45 45381.42 30328.99 38248.96 48324.54 41622.35 36535.68 39959.82 41717.13 20272.5 34505.38 39696.89 22114.15 69552.42 40667.87 40297.43 32689.12 41579.88 35593.47 37553.57 40540.98 31973.72 35879.55 37463.51 40621.36 32676.12 36778.58 37704.77 27759.68 25927 42689.08 35358.95 33588.18 33966.28 39456.68 40262.32 29512.94 39607.75 38301.86 3742.17 2271.85 2117.94 3944.4 3914.66 3421.35 2702.09 3295.84 3602.4 3231.02 2738.08 3874.69 4043.1 2367.37 2616.54 2499.66 4798.17 4022.65 4234.91 3614.92 4013.31 4259.82 3533.19 3622.63 3865.82 39847.48 40207.66 40110.26 40207.15 39910.11 40181.98 40136.55 39992.55 39899.28 Glu-Cys 10733.75 13506.24 9518.51 9623.05 9469.85 7651.21 11666.24 13653.47 9408.22 15784.02 10370.18 11308.28 10971.66 11727.02 12445.29 12506.13 10277.93 11719.15 14171.54 6040.48 5382.8 3541.56 9677.3 11046.52 13329.33 9615.85 14124.33 11538.4 13631.57 11796.11 7812 10108.6 10949.74 10308.36 9654.95 12401.66 11565.57 11127.81 11416.77 14926.66 7054.66 11139.6 11684.63 11704.27 10520.91 9524.38 10948.87 14580.41 11210.78 10336.36 10466.68 11179.42 10093.05 11368.15 10804.51 13932.22 10506.67 11215.53 11627.32 8327.05 9492.22 11186.9 10477.99 8520.76 12357.91 13519.08 9261.76 14013.41 14445.11 11348.86 11960.57 13054.36 12775.34 13315.89 11125.71 11466.83 11353.48 11504.83 11013.24 11470.79 11391.48 11404.84 11353.79 11356.6 Phenyl beta-D-galactopyranoside 19696.15 20971.25 23863.89 20780.03 22202.02 22335.36 15890.93 17516.54 11649.55 9115.78 10496.91 12442.63 13150.77 22342.38 19075.71 19782.06 9119.02 13186.96 13363.02 15345.82 14418.97 9323.45 14738.31 22105.25 18482.17 21584.26 23119.81 25674.64 25628.93 23436.24 17055.92 22936.09 8554.6 15111.6 17879.69 14074.7 17660.22 3370.1 18115.04 15002.28 19223.52 13179.38 17026.07 16956.78 19460.64 20469.99 15983.97 18121.52 15754.84 20358.77 16636.81 15194.31 14876.58 15244.98 12354.39 19732.83 5817.84 14544.49 11954.3 21654.92 12862.41 23129.15 19325.78 20170.1 4418.96 19095.42 20308.24 13541.33 12708.51 20020.76 18141.92 22430.62 7630.01 12563.72 17862.18 18207.23 17991.75 17016.26 18859.61 17132.26 18736.4 18636.49 15819.46 18708.51 3-methoxy Prostaglandin F1alpha 3821.26 4115.42 2031.82 13504.94 53783.46 14111.91 5647.66 4478.24 2597.31 3064.76 1873.06 1655.9 3300.27 1526.59 4903.69 3673.18 3792.81 3972.2 2882.86 660.91 2993.07 3542.81 3447.86 7058.26 5621.56 979.46 5044.49 1449.98 6418.83 2468.27 1720.19 2079.39 4354.4 4406.59 6565.07 4573.81 8401.8 4747.19 2925.46 6496.2 17473.05 6964.73 5528.51 6671.24 4891.19 5810.48 4631.28 2783.18 3556.97 3593.32 920.22 3411.98 4489.8 4170.58 11825.45 7046.76 15761 5799.59 8233.4 6411.19 3398.24 3747.28 10568.89 10370.45 4965.32 8626.62 8453.36 6985.99 10348.04 4900.06 2623.58 5639.08 6229.5 12253.9 9073.08 8955.04 8633.19 8520.97 8907.06 8236.86 8640.1 8906.76 8905.7 8409.46 11beta-Hydroxyetiocholanolone 667.01 8442.77 13816.72 436.75 775.34 26901.97 10864.13 1900.06 8398.77 2941.2 5504.8 5558.13 14054.09 10117.49 12817.19 57267.73 27072.85 21180.23 16659.81 16243.37 14125.03 4875.95 6305.15 8099.64 7149.82 10328.03 6823.6 1175.86 9734.19 4162.98 14651.06 20812.45 1328.73 4116.47 12512.6 3922.2 3040.26 2528.48 1761.96 3370.06 12270.44 11088.66 11969.18 6999.73 11238.38 13749.07 10228.38 9597.49 1209.46 41452 5870.84 7194.16 7809.64 18796.8 2519.51 18867.58 25745.06 11555.54 6916.14 18441.43 10318.16 2857.28 5972.82 14784.66 8062.21 13688.04 14910.08 3293.87 3884.9 6800.27 9597.52 2112.83 7043.69 16693.23 11929.6 12580.38 10535.02 12908.26 12939.15 12912.1 12600.64 12589.3 12926.47 12580.24 O-Methylsterigmatocystin 7658.71 11663.99 7513.82 5907.11 2697.86 1822.57 6572.28 7211.13 4314.02 9170.56 6587.68 6651.49 5820.43 9296.5 8755.8 7802.41 7101.59 7508.2 8008.3 4490.86 525.01 945.1 6790.97 9316.83 10438.67 6789.17 12728.79 9830.58 10037.69 5648.78 3261.31 6188.61 6500.58 6290.41 7017.29 9396.34 7880.69 8028.06 9301.26 12440.71 2900.89 4824.82 6647.24 7459.14 4778.71 6075.04 5143.75 9984.91 6801.53 4870.72 4412.35 7231.53 7031.66 7166.48 6551.47 8581.22 6810.11 8501.52 5923.18 6553.11 7378.46 8789.72 7008.18 6314.04 8987.5 7994.62 4058.58 10250.42 10513.91 6991.55 6867.61 8863.66 7518.15 7301.8 7385.71 6974.41 6974.86 7028.52 6982.22 6977.27 7184.93 6978.15 7029.36 6762.3 Cyclopamine 9806.98 12428.55 8726.62 12697.32 7619.1 12833 5237.43 10647.89 5377.18 9580.25 7667.52 4234.11 2137.82 7183.45 1857.51 1307.94 13451.64 11476.54 15391.48 6775.68 14542.4 2854.35 6599.45 6521.78 7396.61 8859.69 3051.38 6658.46 6662.15 12586.97 11868.35 7050.29 5397.6 9387.17 6707.43 12369.4 6272.63 10890.58 10668.45 6605.31 9821.17 8666.41 8316.9 13723.37 10280.75 899.91 7107.27 10341.34 10097.68 12388.68 10339.59 11696.17 9326.63 10049.3 12169.14 10918.25 7166.92 6208.1 10326.31 9222.33 7140.1 6306.44 6601.19 8328.74 6863.99 7478.49 9633.11 9091.96 10255.48 8152.26 8217.28 9760.31 9413.3 7441.46 11521.74 7387.03 7748.29 7399.34 5371.65 7311.57 7598.99 7743.93 7776.23 7815.96 7alpha-Hydroxy-4-cholesten-3-one 810.09 724.93 756.47 1066.03 773.34 1495.43 689.87 404.83 403.88 461.7 7529.72 871.04 1331.07 1285.2 431.58 1230.67 503.31 1791.09 1675.63 1522.75 808.12 961.69 696.26 613.87 478.35 722.06 348.06 409.19 773.21 492.21 1098.53 1645.46 1035.53 615.87 738.05 674.2 502.75 1516.11 759.53 919.17 1188.19 1567.24 794.14 707.96 999.82 3029.32 991.7 588.45 459.72 2405.84 803.44 1336.15 1051.17 1385.63 1003.64 1383.66 1029.16 1008.88 968.24 819.49 1352.43 699.31 507.58 762.08 1075.12 670.9 1539.71 854.59 710.65 904.4 822.51 668.82 735.02 1572.24 1595.87 1347.89 1363.37 1352.15 1429.85 1396.46 1258.26 1343.89 1403.03 1394.69 4-Hydroxyestrone 10343.5 9898.4 10890.26 8868.4 2631.57 3439.23 4222.85 18989.94 10070 10201.05 14314.62 8659.98 5826.52 12976.2 7140.05 4520.37 9501.98 7539.31 5470.2 2338.43 11903.24 8189.71 9061.55 12166.86 11552.01 8536.54 9429.63 11315 10738.6 10840.25 7590.18 6276.18 8824.03 10125.7 12358.66 3622.07 8331.92 7129.79 11875.24 13313.57 4605.63 3967.09 12625.67 12887.94 9142.72 8741.41 8128.66 7642.53 7623.46 5089.09 12094.29 10547.29 12539.49 8565.98 13337.43 6463.42 10601.19 12520.93 9793.14 11897.97 9709.7 11566.34 13025.01 10838.83 13460.41 8051.65 8342.09 9390.25 9007.65 9400.56 9077.77 8393.47 10960.55 5711.5 11228.73 7405 7687.19 7376.38 6627.73 7407.11 7598.84 8026.56 7637.83 7516.99 Tomatidine 22639.18 26636.59 11045.36 2225.18 8801.71 13181.07 5638.22 5310.81 5654.86 1215.54 22965.72 3627.66 12593.19 27630.91 21548.54 17881.52 14389.28 30682.89 3873.45 1132.94 9859.31 9403.87 1273.42 13276.58 10177.62 15727.57 26445.6 6823.79 2921.57 10889.93 31946 3749.15 8733.46 2062.01 45347.92 5619.29 29386.5 2490.01 3670.7 4385.24 10949.17 27265.95 10031.23 13839.31 30937.93 14107.12 13451.22 13472.52 483.65 27342.34 10989.68 16110.41 6911.22 17557.17 18783.96 22035.02 2539.95 6210.02 4897.34 3213.81 3995.37 3040.78 8286.02 12578.74 15402.29 15156.48 18046.67 29035.99 34904.74 9020.79 4149.21 3847.97 1575.88 12017.17 61731.06 12666.44 13244.89 13203.14 13164.84 13229.16 13058.88 13321.63 13186.8 13122.28 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione 87781.8 104201.89 77193.38 84830.75 100435.56 64437.17 33891.78 54074.31 101567.07 88566.7 5249.6 40434.63 48144.25 82974.79 73441.13 60802.2 66539.28 72141.02 76520.58 59979.77 41610.23 27585.82 39403.68 99532.84 109472.71 105262.99 96696.23 104949 107475.97 91047.51 82708.12 90757.07 40970.77 112504.7 90141.59 129920.03 81661.94 45324.74 91740.12 97572.24 76010.3 77193.07 86222.99 79880.26 83321.35 63080.75 92532.18 86387.44 60530.23 71038.34 68461.69 70931.25 88011.79 56606.32 43067.68 83659.7 85194.68 77694.64 84313.79 54110.08 76220.75 84803.27 84679.55 85305.5 81985.93 85498.95 80003.09 113494.61 110218.15 106002.29 72409.35 76718.21 48000.09 63257.53 80692.64 81956.33 82506.79 84040.06 81825.36 81827.4 82081.51 81821.96 82512.99 81843.24 Octadecylamine 2034.66 603.09 2382.35 4802.63 1865.49 2677.46 1634.95 455.87 305.63 886 2341.47 839.8 2570.47 478.24 542.31 3217.52 1663.24 941.66 1524.43 835.44 410.35 1833.64 1283.04 1594.99 1146.71 601.25 523.25 1131.92 757.02 2386.46 688.96 4854.69 968.16 2659.93 4799.06 493.54 807.24 485.43 1146.74 798.02 2276.75 3612.17 598.86 596.64 1499.01 11404.34 881.23 580.42 575.52 2370.45 841.34 1258.79 641.04 2264.05 481.45 1517.56 538.7 591.06 453.74 2190.83 336.93 1332.61 352.55 507.01 930.13 3222.72 671.97 811.8 508.77 343.21 486.63 689.41 518.56 3357.9 2209.11 1914.58 1902.1 2129.33 1971.33 1643.01 1900.69 1912.29 1998.71 2007.76 Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl- 2628.46 2123.31 602.44 1964.8 3149.24 841.87 670.96 3508.69 1412.95 1500.65 1593.29 1856.01 2069.42 1126.85 3985.91 2252.98 863.26 3711.54 3627.49 566.15 3347.91 698.11 1070.23 2267.08 2348.39 1112.83 791.84 844.63 3089.68 1307.07 2216.47 4229.23 1458.77 673.84 1283.98 1788.07 2564.23 1561.69 1715.16 1354.3 2385.49 3709.16 1764.46 2263.01 2132.64 1028.71 3480.95 2133.9 1260.65 2443.96 608.97 1913.67 1555.14 2463.44 2490.19 4035.99 952.7 3866.89 1310.62 2043.86 1818.67 568.77 2565.24 1507.33 3856.36 3101.87 2154 1158.6 2911.07 1436.56 1966.77 2310.32 1076.52 1239.43 2081.23 1375.72 1938.86 1816.53 1815.02 1924.49 1840.7 1890.62 1960.59 2120.54 N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 11516.06 11215.3 6663.48 15863.1 28012.66 17888.82 5984.18 13857.6 19497.26 12244.44 7515.77 22011.93 36299.36 18943.61 12742.34 27356.12 6602.06 19726.34 33667.84 20425.82 17833.15 8883.04 9058.61 4835.98 10733.76 10845.9 4619.33 8806.15 11307.96 11378.83 13947.36 22307.87 9681.09 11924.5 13782.55 8288.61 7466.13 6695.21 10405.29 7129.05 12912.5 20130.12 7701.36 4733.8 25646.18 12257.31 13222.73 13520.74 10558.6 47810.58 8582.84 8960.51 8449.65 22937.54 8593.44 7639.8 6050.07 8140.82 8968.18 7100.52 9700.32 9261.23 8757.05 16996.7 6854.46 17126.35 20970.97 7337.16 11595.33 9515.93 6710.32 8448.21 8228.87 27931.25 13758.23 14937.49 14944.82 15457.6 15228.25 16737.09 15133.8 14971.98 14165.53 15468.3 Carnosic acid 266.43 183.32 516.4 4467.11 28277.34 37884.31 31560.26 725.46 55.3 359.77 45.19 145.02 2168.78 47.43 298.89 1536.17 234.07 53.9 69.59 194.98 359.67 543.39 373.12 452.82 48.69 73.23 30.24 221.53 29.35 28.78 267.49 352.34 164.72 215.24 60.85 94.74 45.11 951.25 115.67 60.01 16676.06 904.17 66.76 109.15 32.77 2465.58 367.65 1337.26 79.44 170.77 317.93 26.8 165.33 259.33 557.15 70.51 51.7 40.94 188.52 1174.77 106.26 1026.85 455.65 73.52 205.89 204.04 55.17 36.3 288.11 28.72 228.15 96.18 397.44 82.47 1234.77 4432.42 4421.72 4168.32 4432.46 4363.79 4288.7 4433.63 4282.71 4278.15 Empenthrin 465.8 105 256.05 6828.44 11965.73 14660.12 18187.22 370.12 119.43 161.6 142.79 346.41 4409.68 352.99 164.67 1237.24 134.26 181.86 143.41 135.79 99.38 304.84 139.78 35.69 57.04 128.27 154.48 64 105.42 333.12 140.75 461.75 121.99 1281.83 257.29 136 158.34 1043.16 425.61 121.91 7754.96 1057.46 76.68 70.02 148.45 5603.38 150.03 136.32 277.91 130.55 1135.78 50.99 360.29 940.21 1802.2 154.05 370.11 163.98 303.66 1190.71 172 1264.38 341.89 150.42 124.2 1032.57 157.65 201 37.41 48.33 40.32 109.04 163.19 189.05 1066.37 3236.48 3222.61 3199.19 3222.72 3211.68 3222.71 3162.66 3203.03 3218.35 Methylthiouracil 10303.94 11630.45 17226.78 16651.83 11171.63 12521.58 10962 13217.52 16705.57 14824.66 10245.73 10682.7 25756.83 12709.71 17945.6 12491.72 13411.02 12240.16 14946.26 19361.58 11830.35 12099.08 14092.01 17556.4 12678.74 11544.05 15430.41 8422.46 11054.21 23591.99 10057.59 20006.25 17446.57 21069.83 12499.63 11736.36 19997.92 10309.64 18658.2 28391.18 23103.02 15105.43 10603.87 19126.73 14554.58 18976.66 17991.5 10922.71 14252.12 14986.86 9241.19 10289.95 15062.97 13606.4 26480.02 14845.28 26251.37 12497.42 13672.02 12350.69 13799.75 24109.96 12284.41 2380.1 13845.31 14274.96 10414.35 16268.59 12468.77 16702.07 22819.8 21034.8 10556.94 9718.68 14231.26 17204.6 15230.77 16006.77 15297.62 15764.48 13607.1 15278.32 15271.63 15949.72 N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine 6364.2 7443.67 6363.5 5894.99 6064.91 4798 3346.68 693.03 4938.89 5177.27 2696.7 2654.78 1017.92 6636.47 3848.77 5041.48 4942.71 5309.67 2870.19 5592.29 2618.57 1776.51 4149.38 5508.83 5482.59 6367.36 7497.93 6811.62 5737.91 5034.7 4221.45 4405.79 4134.6 3752.62 3989.57 5346.35 4806.45 1930.98 5247.04 4224.54 2279.85 3690.11 4450.65 2376.48 4510.05 5396.74 2246.78 3223.93 5882.98 3718.14 3654.6 1697.27 2952.59 2403.81 2447.41 3811.7 3529.59 3075.5 4784.12 2478.82 5472.69 2619.25 3573.51 3614.86 4415.79 4189.43 4420.64 3401.75 5717.82 4052.71 3433.56 6331.62 3777.01 1947.61 5265.04 4412.29 3871.6 4387.06 4170.12 4489.86 4725.61 4400.9 4428.45 3769.21 2-Amino-4-chloro-6-methylpyrimidine 88846.64 82595.44 36786.95 86959.24 86282.37 90365.38 82206.41 76839.53 75454.38 72902.57 17100.17 71598.1 54717.61 72021.17 79748.63 73237.34 66254.6 90045.81 28828.53 43328.51 74633.74 28902.13 70725.94 74234.87 83149.97 93988.28 86604.72 83217.47 93638.43 81295.42 83528 82882.94 23184.61 81710.49 80710.34 93625.27 95656.07 85451.73 86428 81733.57 81094.9 52344.88 64828.42 70523.11 73848.98 78572.87 86939.06 73971.66 54175.77 78546.55 68350.99 85910.14 71053.29 74957.98 82233.36 77390.46 78049.71 66790.75 69333.25 69234.7 67718.87 71045.43 81510.88 70641.14 78083.93 87356.77 93607.31 51355.91 71041.95 75546.36 62871.15 75196.89 62310.39 34868.37 66718.04 63542.21 30038.23 66415.11 62854.69 59891.87 22772.02 61472.51 60971.8 54072.74 55703.89 58819.39 55454.19 28169.1 56535.87 56805.49 54136.49 42052.6 34582.19 55449.4 42060.46 49234.0 59577.57 60422.38 23645.56 62705.2 68393.37 69814.13 70266.67 60694.61 68313.55 70317.58 69909.78 67458.98 68645.42 Imolamine 7435.72 11442.16 9495.63 5755.09 20330.24 24047.25 10511.99 12845.55 14645.38 7545.79 6499.08 4189.16 8721.36 5505.39 13335.04 6706.92 7756.29 11474.6 5334.91 17221.18 9683.43 8348.24 3109.84 6906.47 12892.92 15992.56 3260.48 8148.94 11312.88 927.24 6997.66 4895.8 10852.4 8703.26 11376.24 12515.81 12852.17 12751.22 3704.81 6331.85 18621.17 16476.1 12164.78 8088.78 14430.23 6744.77 13062.27 4902.98 5003.65 1529.11 5856.38 16737.61 10290.64 13791.24 6736.14 14966.02 8053.27 5959.54 9434.29 17449.47 7029.17 1394.34 7451.04 10506.73 6862.74 8003.28 17006.46 8968.63 7479.04 8903.49 15159.65 2632.08 4462.89 10858.93 11449.52 11431.2 11179.76 11280.2 11514.9 10284.41 11435.02 11434.65 11343.68 11223.41 Etalocib 9713.22 12901.09 24985.61 26020.21 12831.31 16846.84 20469.64 7526.49 7975.94 5783.2 16904.17 20321.77 20898.08 19229.73 10094.11 25470.59 22075.45 2086.53 31859.11 5770.79 2121.5 3843.72 16359.92 27781.52 11694.83 14351.33 20684.71 23090.4 14109.98 14225.78 11269.53 7723.57 2182.06 26578.44 27312.65 8778.57 8209.96 5409.15 20775.77 23603.67 12580.22 5647.02 35486.5 17189.4 7556.57 23347.6 16040.63 41121.67 14712.39 26321.6 8192.1 11715.38 32883.37 26472.75 3139.4 6235.75 18630.35 18310.59 9232.85 3178.94 8419.12 21213.71 10556.8 33901.48 21524.49 13342.45 11622.6 6855.23 17464.52 7883.21 13613.68 22135.87 30876.9 26183.66 38267.68 15433.18 15235.1 14080.24 15004.49 14773.71 15224.16 14710.16 15222.21 15130.74 Avenanthramide A 12813.55 16767.82 9963.85 10674.02 23466.19 20910.1 15233.17 9327.89 14024.2 12910.78 8408.01 14072.67 17530.05 6626.15 19072.13 13850.36 11045.35 14616.35 14388.06 23793.39 19707.61 14533.72 10040.66 12270.4 21774.89 17101.62 16709.93 8817.7 15691.67 8953.88 21821.25 12466.76 10202.86 10308.59 12105.97 22010.39 13611.77 6928.63 7860.6 7903.56 25040.87 9516.78 9703.41 6200.7 16057.56 9293.62 6598.08 12902.07 9866.98 10839.75 9260.42 15587.93 9476.63 10961.71 9211.6 9417.43 9530.12 3961.97 5934.63 17215.79 5453.67 8647.4 5581.48 3985.92 6778.29 24757.36 17496.13 7559.79 4747.3 15095.6 4700.05 13080.44 7515.98 10013.28 10710.48 11173.54 10663.9 7777.09 11399.95 13067.17 11036.67 11339.92 10694.69 10496.27 Iprovalicarb 73221.11 144724.3 44809.71 74254.36 32554.05 54377.01 53412.24 95907.89 95131.11 78066.12 106028.36 56728.98 20076.37 70658.02 160438.53 83945.92 155760.31 164481.54 82526.16 171039.88 95795.99 57787.65 40748.86 72557.88 84831.53 154850.8 96738 61991.04 78858.7 199314.61 125887.03 81295.45 217189.65 64305.37 103081.58 70973.41 178098.89 178938.22 75346.21 167043.15 143113.94 61594.52 78850.45 104100.73 71610.08 45228.66 119726.55 134778.13 38966.24 79522.33 75419.62 101759.79 63353.08 66716.91 78209.39 121980.25 119189.89 137494.39 186741.52 206517.75 119962.1 69825.04 119125.18 154004.9 185379.58 61163.57 99709.03 56284.34 93587.55 128564.37 208444.19 128484.58 134446.8 131900.88 112626.74 98684.6 100741.53 98699.27 98974.38 98534.56 99384.41 98697.12 99367.02 99379.14 Edifenphos 49517.73 51943.98 51911.14 51583.85 25257.85 33036.64 43797.63 67489.3 39582.55 48292.68 61893.8 35038.46 28674.03 53357 46236.64 34401.85 61207.33 55875.96 46645.92 57137.79 48961.3 41804.54 42283.89 47367.88 42154.02 47052.77 46783.94 49247.15 50768.64 51267.55 45834.46 39077.09 46984.94 57185.56 57843.69 46287.88 60423.2 55197.2 63307.7 73707.21 44685.25 44981.9 59681.53 90432.67 61279.66 48598.34 38889.55 56771.31 30171.19 31452.71 76449.86 58597.13 77938.62 52192.83 86138.32 46206.84 71601.25 74249.17 61442.22 62154.42 88769.18 63768.74 63717.61 58629.82 76549.28 49626.86 45032.72 64233.41 94170.21 76440.99 63777.52 82833.73 42172.81 36183.87 47189.16 48014.63 54689.7 52082.22 51818.47 53738.9 51981.02 56999.16 53610.92 51982.05 Tibolone 550.48 7042.22 5780.88 3343.82 2877.83 4993.94 2329.1 1754.22 2239.47 1506.26 2193.14 1142.08 2384.71 2201.14 3141.3 4229.03 3101.64 2156.84 5014.1 884.36 762.35 3047.02 1243.76 2937.63 2932.99 10241.95 3243.11 4493.37 1219.21 4085.66 1167.05 954.33 1457.69 1068.18 3885.15 3167.57 2069.57 6068.81 2312.2 4451.8 3874.95 2094.33 3053.55 3631.26 3414.44 5270.95 3554.2 4238.29 2327.3 5756.13 726.96 5152.67 2962.03 3879.77 1609.83 5872.85 6900.83 9075.2 2335.43 9251.27 3151.62 3781.42 1624.51 4300.08 4354.15 2833.03 2737.32 4039.41 2110.6 1441.54 2842.22 1835.03 3594.18 4946.08 4723.96 3134.49 3412.82 3126.2 3318.94 3297.15 3209.43 3348.37 3127.84 3324.42 Nifurtimox 410.97 975.82 3243.74 4037.92 560.47 4484.95 1386.03 858.99 1567.49 897.81 421.82 536.47 783.3 459.57 1321.88 999.93 1010.2 1345.51 764.37 1346.49 2517.26 3511.04 686.29 655.98 779.68 520.25 530.1 814.33 723.21 499.13 1289.44 639.75 1691.22 5872.29 1020.54 914.68 585.73 8182.59 649.41 648.28 553.41 1074.3 627.68 851.3 1727.07 647.91 1027.99 2719.17 959.45 815.7 373.08 2005.61 673.88 732.69 521.44 1027.32 5087.8 3005.24 544.6 3219.78 1211.11 1934.21 618.19 943.7 780.84 519.88 2106.56 1122.51 772.34 1125.65 1260.14 775.01 756.71 1291.24 1033.59 2797.29 2569.23 2794.81 2810.54 2734.52 2755.97 2663.95 2926.02 2043.76 Lys-Trp-Lys 2505.66 3265.57 2992.87 3816.45 1707.8 2245.1 1189.25 2708.6 2211.64 3205.14 2112.4 1016.23 608.24 1807 2842.88 1377.54 2186.75 2821.67 466.89 3590.04 2726.65 3090.91 2092.29 1170.4 2925.35 4602.16 3187.92 4085.98 2356.38 3387.9 4548.64 1447.2 3408.59 2841.56 3922.45 2904.67 3550.53 4762.94 3350.29 1048.59 2000.72 2365.1 3324.38 2557.49 2816.44 658.21 2148.94 1914.88 814.1 976.01 3495.51 2047.59 2512.68 909.83 3511.37 2141.39 2167.03 2581.4 3075 2847.63 2189.89 3526.67 2660.86 1399.22 2515.63 1800.04 1121.89 1453.22 3348.27 2761.07 2591.83 1593.49 1329.14 2552.84 1728.22 2825.97 2698.82 2470.93 2790.6 2676.78 2988.92 3613.61 2996.14 3209.83 Benproperine 8103.28 3413.56 809.28 81135 131011.07 253490.67 156558.88 6802.32 1508.08 6297.11 1383.24 5988.84 59846.44 1890.42 1046.16 14014.03 12271.1 1988.82 1721.25 1655.17 3332.3 805.84 921.08 1719.98 2196.72 5893.59 12100.88 5043.91 6230.3 5761.28 468.24 9568.14 559.84 9606.41 7063.38 6590.39 635.44 8789.06 2432.3 7367.12 90813.72 21098.74 1290.32 2336.75 7189.48 128466.72 1782.99 5120.09 111.88 17671.52 18300.36 5358.22 8111.98 13376.17 25190.5 4158.35 2675.83 214.69 6328.91 45148.95 897.34 8648.16 5599.11 4479.89 549.93 10777.95 3234.92 6443.19 7556.27 640.15 2481.73 1463.15 972.46 6674.6 19125.84 31776.73 31084.31 31779.4 31779.17 32005.94 32871.86 32003.52 32003.04 31774.73 Prostaglandin E2 p-benzamidophenyl ester 690.34 667.08 4523.94 4796 2289.03 3787.99 6854.55 2121.5 2492.47 2408.36 1842.87 2987.73 7491.6 2715.02 2067.52 2954.96 450.98 1623.92 3821.04 1224.18 973.67 5199.08 4870.92 2887.39 1930.84 684.24 3393.32 841.79 2381.66 568.03 1617.19 972.79 2475.39 1389.67 5525.26 2847.1 1245.22 7061.55 2685.72 3290.19 2931.91 1807.41 4625.79 1789.59 5511.31 4417.49 3765.65 3734.96 5023.77 4252.67 4613.84 6620.61 3507.89 1081.32 987.89 6044.43 5876.45 2203.39 3950.05 712.77 1007.45 5178.31 4000.73 1108.06 1441.77 2519.35 4665.09 5796.01 1542.95 4999.65 2662 1077.38 697.25 1672.31 3642.92 768.4 842.63 671.97 852.78 1002.98 1450.7 1348.9 1475.19 1712.65 1323.45 3290.11 1205.61 884.73 815.47 1067.07 899.85 766.1 1435.2 1630.17 926.06 572.66 1321.74 796.99 2902.53 2849.64 3136.49 2899.44 3037.76 2910.09 3068.83 2870.21 3073.48 Solasodine 1145.33 1435.92 453.46 1394.59 586.83 1825.06 1130.9 935.61 1938.06 1678.22 922.16 1152.27 2639.73 1782.31 1160.8 2745.77 882 1494.72 3129.42 828.28 851.53 1089.02 1062.37 1428.44 1179.62 1225.69 548.84 519.09 1792.35 879.07 993.61 1475.55 4210.73 1492.82 845.35 2133.97 796.43 3632.44 1369.18 4400.7 808.45 1717.03 1534.86 1693.88 940.13 1490.41 1953.53 3345.69 1611.5 1822.35 630.11 2587.72 634.2 1779.13 1054.68 2485.29 924.22 543.05 1039.46 1011.76 1248.51 1162.49 1367.01 2383.95 1231.44 976.69 4282.87 1415.25 2232.15 996.06 907.28 1908.76 1610.16 1416.26 4147.99 2432.11 3378.49 2349.84 2141.52 2935.3 2956.39 2759.27 2405.23 2432.15 Tetrabutylammonium 664.85 1656.83 458.59 11094.95 701.4 1116.23 8880.19 361.53 647.13 1782.86 1226.76 4044.69 16923.04 2216.25 3344.14 7616.17 1056.65 2737.15 2366.76 2994.93 520.72 1039.85 933.92 532.08 567.65 507.82 1943.19 2730.91 3356.6 3098.6 2043.2 3481.09 421.26 7880.09 2613.83 1966.16 2113.29 290.8 936.67 3053.74 3150.99 3922.56 2004.82 1072.49 2310.97 40576.29 1850.1 3935.46 1380.14 3875.05 3587.74 1416.16 2622.19 3532.92 681.68 569.13 732.07 697.75 469.61 1951.2 1099.92 1623.26 603.8 3057.01 764.1 2164.95 823.44 2042.59 2514.39 306.33 704.47 2036.11 1876.89 1670.15 3892.18 4279.76 4039.4 3972.95 3972.54 3989.12 4038.06 4020.96 3951.32 3970.59 5beta-Androstane-3alpha,17beta-diol 2116.94 5858.2 1713.13 2721.3 9210.7 4860.4 12684.23 3912.36 4685.44 1676.96 2152.9 2535.21 3057.8 2847.45 7823.77 4171.17 4838.53 3836.4 3291.7 7188.53 2377.67 5090.04 1384.4 2521.68 5958.65 4497.4 1452.66 1609.65 7526.37 1779.41 3022.98 3303.72 1915.01 3117.04 2954.62 4316.18 4419.28 2778.02 1220.77 2277.08 6784.9 6010.4 2864.14 2961.17 4200 5427.67 6196.04 4501.42 1053.95 6245.22 3357.88 4590.72 3228.54 5051.37 3816.71 5945.91 2626.65 2183.11 4247.37 4169.24 2934.68 1442.61 6603.27 3165.7 2351.35 4546.45 11476.35 1931.82 3076.79 5420.45 4916.99 3204.84 1765.12 4202.13 2778.3 4805.57 4387.16 4462.23 4739.3 5028.58 4833.2 4655 4639.36 4825.22 1-Benzyl-3-cetyl-2-methylimidazolium iodide 6279.51 21205.99 18857.35 12411.88 46577.37 22804.81 7026.56 12429.05 9678.55 6081.61 9869.56 16345.4 34579.68 3272.23 20260.61 47259.85 33607.13 12909.66 22195.42 27785.63 26136.85 15767.91 2517.82 18264.11 28386.75 11679.08 1898.39 13249.73 27715.8 13987.51 46540.75 51386.55 10798.46 23272.53 33594.6 19608.44 9459.44 24056.83 21384.1 13620.04 34820.89 43725.88 19264.35 13279.6 25611.71 43517.87 11529.06 16949.92 13963.73 33200.3 33213.99 16030.78 29198.86 26631.55 19829.57 3536.51 27410.33 20809.53 16705.11 18049.09 34520.56 25594.42 8828.54 12115.17 21052.47 13843.84 41236.73 13983.24 12617.88 18800.4 13867.3 21448.35 65123.13 41302.45 29798.9 21338.81 21289.56 22710.11 21136.24 24567.12 21993.73 9277.93 21387.74 21632.85 Thiocholesterol 23153.93 24241.03 6303.49 4391.91 26437.69 8228.88 15953.74 18922.46 17037.89 9504.79 16272.14 12806.51 2858.38 17723.94 17145.84 1592.81 4199.68 42358.34 32567.17 28612.77 2521.21 26309.28 14699.79 11686.21 14259.98 21269.54 1365.58 7872.76 33824.74 17963.48 39538.27 20909.74 9121.4 72916.62 6733.14 24565.43 9149.34 35991.48 10611.25 13738.41 11078.03 22685.61 9885.91 8080.73 27553.08 10137.61 11208.32 8255.97 12020.92 16818.13 16791.62 20635.06 11687 35124.34 13109.32 30466.53 11853.04 9357.97 16776.02 14640.8 12718.14 19434.78 20005.95 17149.34 8622.4 20407.97 53518.66 10985.55 9355.72 10431.35 11045.4 14208.6 8356.05 5904.57 6348.86 9190.3 9143.91 10034.72 9014.83 6749.02 9642.58 9669.88 9644.82 9121.17 beta-Amyrone 3265.72 3821.44 3953.34 4025.57 13422.06 1156.31 1685.34 5101.14 14786.68 17229.9 2098.89 519.02 781.18 2080.29 2911.62 722.96 1212.61 962.25 520.18 753.55 2578.79 3054.57 3923.02 4189.65 4308.54 2701.72 3178.49 2882.83 376.02 2508.69 3519.21 5589.91 4007.73 5447.38 8714.38 7942.99 10017.39 11454.67 12031.37 9962.8 14779.38 12192.66 7547.15 6481.47 12539.97 11393.26 14671.05 4841.23 5448.91 7486.38 12846.34 7321.98 3511.62 6026.49 9948.82 9058.23 5682.07 6567.43 5509.67 10805.48 4674.54 5699.42 11599.82 2900.65 7117.09 8572.73 9300.96 8978.2 7780.28 14579.26 11664.86 7772.98 14312.77 4163.63 8001.58 9265.1 9562.89 9563.82 9321 9064.93 9767.5 9613.78 9128.93 8111.1 Simetryn 12158.44 9854.44 15770.36 9470.34 10080.92 8663.51 5378.92 2547.03 2794.38 11698.09 2741.09 4011.18 7490.22 6794.98 7891.56 7749.05 8088.66 9268.92 8835.9 7225.72 9517.3 3438.47 6817.81 12516.01 13961.13 12418.72 12554.3 13319.98 15215.92 6851.12 9597.41 11704.2 6624.24 11559.54 7144.61 9209.28 9434.32 4176.35 11379.24 10154.31 7052.19 6210.87 12875.56 9926.32 8521.35 8190.3 11660.59 6803.56 5089.08 6948.24 7170.95 11359.05 7396.48 6387.28 9349.62 7739.19 12050.56 10314.21 9998.51 5579.04 7179.26 8929.57 9169.87 9550.15 11607.6 6990.96 8061.82 10394.41 6786.08 9454.61 9359.55 9529.07 6043.75 8255.04 8691.56 8813.32 7979.79 8119.96 7980.15 7915.2 8839.82 8001.21 6198.26 8413.63 Nelfinavir 3031.54 3577.32 1815.32 2239.95 3962.93 14216.71 6803.74 2546.18 7401.6 5127.91 470.47 2652.26 734.1 1197.56 3840.14 4295.11 381.14 2844.95 779.64 9106.49 4452.43 2504.87 1562.71 2376.47 4455.53 4055.93 1086.07 2506.67 3399.48 1736.52 7515.25 3387.13 1132.93 3203.68 3887.37 2774.29 1740.2 4427.69 2376.81 1034.4 8313.81 4698.01 2344.54 3080.31 5988.22 3737.6 5460.78 1134.65 1866.6 3785.01 3695.3 4546.44 1672.75 1650.56 2822.29 1799.18 1401.61 1957.45 2771.46 3624.4 2716.72 4187.02 1479.08 1860.73 1034.9 4957.29 8549.34 3809.87 3696.83 4084.94 3293.76 5277.81 1694.76 1298.94 2198.31 5027.28 4234.87 4259.34 4024.67 4245.8 4144.53 3891.55 4272.48 4001.08 Thalsimine 4457.05 361390.6 368134.84 338755.55 375952.28 318646.7 359343.33 356036.11 354284.22 389834.87 234450.37 272677.24 321204.15 399803.44 371278.87 376409.3 356399.13 374131.09 12489.69 362184.18 379844.46 254031.04 331691.23 339132.33 385995.85 354254.03 340195.68 350211.84 390004.34 314859.05 324853.17 350389.85 308535.36 574438.37 498861.96 247221.04 334660.76 309782.92 546975.25 379014.51 248275.06 356986.31 722257.65 436674.27 363428.48 204554.45 374826.83 655288.96 509904.82 749252.84 268599.18 238225.99 603654.95 238517.38 188402.21 250190.17 277370.11 366482.3 297504.54 60696.61 428029 360885.24 279806.57 706133.18 487846.55 221476.25 404411.21 483898.57 509417.58 319741.43 280213.23 500729.06 731202.5 417218.25 344463.1 384872.43 380404.25 380408.09 380022.67 378856.58 379396.87 379966.84 378032.05 380406.73 (24S)-24,25-Dihydroxyvitamin D3 6637.14 689.37 14590 3406.31 4469.26 2802.68 421.3 25385.66 19981.57 1766 6726.75 26669.23 5420.07 1597.78 4091.89 7746.82 7372.35 5801.79 11456.38 5106.3 36377.88 7660.8 15278.48 6495.67 1889.62 7998.04 1107.96 924.96 21647.73 16985.69 1213.35 4730.02 29152.45 9945.05 7987.84 17208.81 16408.94 3376.86 5438.97 5569.4 4479.73 5641.14 7167.25 1049.53 9605.51 1495.97 31969.24 20570.99 16816.58 3289.35 2512.39 16139.88 12808.92 9482.62 27113.5 5587.87 10301.08 1403.37 17209.45 2873.03 1825.13 1595.32 24388.77 17782.13 7694.41 14848.91 5310.2 1958.73 6560.38 16240.31 16527.2 947.28 1890.92 8513.72 6169.89 11805.94 12571.7 11554.95 11700.98 13852.3 11814.42 11843.9 11559.99 13164.99 3',5'-Cyclic dtmp 3228.9 10915.31 7417.48 10680.7 9315.88 10479.81 5259.08 5070.99 614.55 9236.78 6030.73 10439.7 13296.06 11463.28 9775.85 6932.65 7364.62 5478.34 16013.94 2231.56 2261.56 9804.44 9436.34 15520.52 7455.13 1389.29 13606.8 8554.88 13607.69 1504.57 581.72 11579.22 8013.09 9508.76 11388.02 10039.74 5354.91 6544.17 10548.16 9460.85 3281.86 8580.11 14829.75 9817.69 5450.57 8155.21 6760.55 21103.01 10822.49 9807.27 4101.31 9902.94 11872.65 11849.07 5306.83 10435.12 1296.39 5001.15 6272.69 5511.98 15454.75 17301.88 2859.63 6825.79 5942.88 11445.1 854.39 11363.67 8069.88 4838.85 4450.16 11318.43 3867.62 11661.36 8956.02 28881.37 46255.63 18250.3 19699.77 7742.91 46541.61 68908.15 12650.53 69240.01 86476.67 113647.72 92900.35 41375.58 31655.19 76955.63 24677.93 71396.49 51478.01 10016.49 64625.04 78539.24 72767.55 31254.23 67071.28 59209.07 9022.82 9203.64 8807.92 8805.18 8809.3 8485.5 8929.99 8750.54 8930.17 Idarubicin 2143.33 3391.03 1129.56 567.45 4669.17 3070.63 2447.97 3772.17 775.21 2309.39 4486.97 5362.84 1238.84 4936.71 404.8 2580.89 1675.06 4834.74 2792.33 3931.92 6646.56 2377.09 2963.63 2807.26 3208.29 1175.67 2200.08 1107.43 550.52 915.84 3565.15 10679.62 2526.65 2461.97 2804.71 1717.16 6752.32 3222.69 936.39 2980.52 2993.44 2063.74 2728.31 2628.93 6608.94 5340.1 2038 4226.98 2933.12 7919.59 3272.53 6147.15 4966.39 3433.14 5845.97 2414.86 2859.14 1985.18 5222.3 2117.21 2695.17 1195.97 3265.03 5254.88 2943.12 4261.18 1729.48 3329.24 3958.07 1292.75 929.02 4463.65 3416.35 3741.74 3836.67 3966.86 3952.25 4487.93 3165.5 3669.24 3930.26 3679.2 2096.77 4012.2 Virodhamine hydrochloride 2014.05 1978.43 353.46 1360.18 6489.18 20617.83 9595.4 2258.61 750.45 1033.21 240.57 1117.49 406.94 1363.4 2068 972.45 954.31 578.18 1696.49 275.9 553.57 1715.73 954.12 741.66 1978.45 1983.08 1267.8 305.78 1488.8 1104.32 1029.46 251.61 238.09 1122.46 718.98 1059.84 2752.71 1201.65 1082.41 1500.03 4428.52 2183.24 1238.29 1955.15 1578.47 3852.1 1753.91 1711.92 1772.31 777.68 1317.25 1376.74 1027.7 2507.71 3078.62 1920.62 685.23 1001.93 1485.82 2242.26 1222.03 1245.07 2379.04 1255.06 1327.42 3541.7 2809.52 1589.74 2799.95 3004.29 1258.89 1009.09 1449.86 2012.71 3032.4 3639.65 3438.43 3299.91 2980.26 3631.72 3767.04 3278.21 3354.24 3417.91 Zymosterol 1478.4 2914.81 3873.25 595.04 2631.27 4820.38 2047.3 4180.06 2887.51 2089.27 8144.24 13380.21 5107.75 811.67 12275.71 2561.48 2226.77 3096.21 5679.26 6217.93 14846.6 6098.28 4426.36 2988.14 2577.5 3130.63 1578.16 4915.89 6773.34 5870.34 4797.71 5095.59 6899.54 7296.2 5096.81 2069.08 9135.97 4455.28 4150.85 2770.33 4980.87 13223.91 4255.73 3393.06 12136.24 1249.9 12308.69 4329.21 3927.94 4423.4 5695.72 5008.21 8806.06 3604.53 2808.72 3289.21 10061.05 3404.92 5898.14 1860.8 3175.7 3891.48 1960.07 4416.22 1909.92 4501.5 4560.33 2018.83 5497.3 9099.9 7884.24 24342.25 3411.83 3037.92 4413.34 6717.82 6664.5 6283.83 6748.58 6972.82 3420.16 6200.87 6684.67 6303.84 4,4'-Methylenebis(2-methylaniline) 26234.13 13881.6 15568.43 23413.96 20425 19149.58 27542.51 14690.28 9135.67 14135.86 11132.19 11738.09 14843.87 13703.78 10322.29 14213.82 9595.23 12430.19 12822.2 15310.74 16678.18 11199.45 9076.37 15720.44 17652.85 9911.27 13704.96 13847.42 14421.45 35348.94 11484.51 14612.83 13276.11 16544.16 18679.89 11775.52 14694.17 14909.47 17522.22 14745.67 23863.47 19303.47 16446.14 15985.26 16671.03 22497.39 18041.69 16945.69 23195.93 19120.56 15098.14 18213.65 15069.42 15383.59 14196.31 17510.54 14885.69 13423.96 10819.52 15874.65 12415.97 16701.57 11429.19 13954.16 10185.39 12125.66 9985.21 12759.8 12788.25 15345.88 13867.04 14877.31 9924.6 17548.41 15742.79 19059.69 19034.55 18974.7 18996.69 19034.96 19060.57 19059.8 18996.18 19060.31 7-Methoxyflavanone 1126.57 4525.53 4694.48 3470.38 2342.76 1541.65 2800.68 5657.53 8930.05 7380.07 5494.96 2277.11 829.18 3189.37 2261.57 3925.42 2782.63 6272.54 8059.03 6836.47 6239.31 27552.85 1849.99 3490.74 2877.42 10097.03 4550.36 3666.13 2272.95 2813.52 11366.48 7437.2 1271.06 3491.5 2706.13 5913.81 5118.65 2202.52 4730.58 1115.13 1379.34 4238.84 2727.39 4089.96 4882.53 862.34 8018.86 4626.47 6690.5 7289.67 3733.62 1441.23 843.61 842.98 3895.05 3408 3538.65 1119.5 928.17 2382.77 3141.38 1118.07 7175.11 3857.36 1069.21 4526.57 6885.11 3674.07 6803.98 5064.87 6753.02 8293.23 4410.3 2617.22 5819.81 2767.94 3212.11 2903.5 2916.29 3295.02 3312.13 3114.02 3328.85 2356.1 (2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate 3313.16 948.49 4589.92 378.6 13289.91 11214.91 3253.99 16305.73 3651.05 7218.21 7094.68 4044 991.69 4813.95 13240.68 18153.65 729.12 522.29 4538.59 1229.78 24213.33 9194.1 4688.98 6468.3 11729.99 4050.92 2797.72 3678.24 8923.28 4547.81 8875.96 14934.75 3866.51 4734.52 2094.56 6851.98 18350.97 5041.7 2855.02 3386.84 17488.85 16606.28 2608.02 2516.99 5781 8785.83 2279.47 4461.54 1151.61 5977.01 49423.9 2765.33 2351.44 21309.63 15426.43 1318.28 4054.4 2974.95 12613.88 3014.36 2142.76 838.76 23515.99 1720.14 1812.32 9913.59 4115.74 1836.91 9583.94 14838.6 2368.45 4614.33 20121.74 5848.32 1159.94 664.67 1147.59 2383.75 880.25 1454.8 992.43 1647.94 986.63 1507.91 1722.89 806.95 1452.74 978.97 1989.64 937.46 759.65 2465.55 2749.91 1173.04 1852.11 1592.78 1802.56 1900.88 1566.23 1597.27 9180.05 9919.84 8990.86 8992.62 9331.15 9184.65 9186.53 9064.95 8516.84 Scopolin 1753.83 8352.21 6435.79 9419 7966.2 9717.12 10099.27 5584.48 1775.3 8625.15 2330.44 8325.74 10291.32 10263.83 9742.04 4963.03 8646.41 6310.6 9842.69 2259.66 1582.48 5213.49 7068.49 11542.09 7212.93 3786.68 2816.23 4004.07 6625.25 1765.37 827.77 9226.75 4831.96 7911.35 9375.81 8713.59 1126.16 4670.28 7910.44 7968.63 966.58 3095.14 11238.45 6952.43 6050.5 6898.19 3848.82 12763.09 9302.44 8165.45 2697.49 6804.15 9226.42 11305.57 1131.81 3297.78 2826.7 1987.63 3733.04 1214.65 10060.37 10835.7 3115.05 6923.51 3637.04 9688.2 2363.37 2379.24 7673.58 2264.53 3850.59 7759.53 4682.23 11030.99 1648.86 5135.4 6450.65 6631.56 6274.66 6645.76 6290.18 6649.7 6698.3 6220.22 alpha-D-Galactosamine 1-phosphate 4367.21 5457.85 2898.55 2607.98 5368.35 4815.81 4105.34 4469.73 3066.23 2158.59 1725.83 2607.38 4849.8 2417.44 5140.63 5027.32 2651.15 3248.55 4925.61 4821.37 3750.96 2946.51 2946.67 3419.4 4147.2 3836.54 3193.22 3519.01 5159.82 3209.47 2973.44 6684.78 2953.89 4318.91 3875.47 3814.8 3707.38 2203.16 3365.52 2239.3 4373 6234.77 3879.19 1547.43 2946.44 3090.81 4228.12 3990.55 5073.01 5216.81 4584.34 3364.33 1795.05 4219.26 4289.43 3808.69 2700.49 1642.5 2923.25 3577.87 3091.12 4469.14 3711.02 3915.93 3501.91 4287.27 3958.26 3507 2593.57 3539.41 3305.43 3716.54 3395.4 3919.12 3881.21 3520.54 3546.64 3569.01 3443 3522.88 3571.37 3570.84 3569.21 3520.84 His-Trp-Gly 99586.51 198680.19 154618.97 178226.99 59138.5 144229.64 57569.07 107842.85 190029.62 167875.23 105940.15 101775.22 60268.61 118460.45 101221.44 92874.26 167347.88 94844.31 194928.09 90731.2 125358.46 108542.33 80101.52 77627.98 141212.81 115165.99 182739.41 94272.91 87987.48 164754.65 85037.29 171680.84 105759.86 158090.56 152765.46 112056.84 206878.15 188277.66 121175.07 178655.26 76153.29 144156.42 124719.25 170293.54 79679.37 160739.06 131823.64 119467.21 130589.5 134204.22 199088.58 165401.14 97519.5 136702.08 141499.4 161254.27 135216.09 185128.29 72477.51 113183.32 107177.61 190150.98 111985.07 189168.24 162656.95 169336.47 172360.75 170415.26 185891.44 144019.2 146250.6 136438.65 157568.48 201013 151543.24 138883.63 139169.71 138955.33 138702.6 138111.14 142738.74 139194.54 138091.89 138093.96 Neotigogenin acetate 26959.12 1034.51 28676.22 24196.37 34011.14 3474.48 24615.34 38887.04 23962.87 999.76 29872.74 39741.21 33284.21 35993.76 45349.63 49513.14 29106 25924.84 67464.32 35845.98 874.44 20952.93 40757.64 48084.06 1020.9 22111.03 38138.32 42613.47 52189.83 42761.79 22057.94 49787.16 955.17 22328.77 43042.02 27532.5 37999.42 33553.3 35516.99 44326.66 32934.59 13169.3 51704.18 35665.24 38798.67 41329.52 41198.43 101482.96 34617.08 69203.98 33233.57 50121.46 53840.96 60243.78 23228.69 30673.1 31062.75 21962.37 40769.5 74107.05 45585.86 52214.26 47459.97 72996.85 68245.8 42269.9 39414.88 20522.04 35597.98 49423.41 22980.33 17233.55 65122.3 50416.19 42383.5 33017.73 37511.78 36521.85 35789.64 35840.37 35807.67 35847.39 36569.49 36004.34 Fenpiclonil 1731.92 4799.53 1906.9 860.39 1940.55 2043.9 1991.6 699.39 3120.7 2083.33 1112.93 1464.29 1977.67 2302.66 3535.06 1649.49 3427.01 3381.33 1256.63 5294.12 2102.14 761.73 1444.12 2379.22 1640.3 5386.23 1687.86 1087.45 1058.71 1281.66 8952.93 1646.48 4187.15 1642.26 3018.85 2438.99 5209.39 6654.63 602.45 4132.84 1973.16 3322.7 1089.15 868.71 1011.93 1657.89 4065.9 2739.75 2713.12 1863.98 1721.6 2143.06 3015.84 1717.81 2310.77 1989.81 1822.76 1571.91 1718.26 1559.15 1853.7 1987.26 1144.58 2752.6 6426.95 779.66 2254.11 1831.81 1870.71 3101.97 4522.54 3226.51 4271.83 1758.4 928.78 1432.93 1564.06 1738.96 1645.13 1422.38 1516.07 1587.9 1862.72 1664.75 Leukotriene B4 ethanolamide 975.97 1915.67 6755.87 480.08 1648.91 1358.59 1907.05 1957.32 1421.22 949.27 796.94 2121.78 959.59 430.65 1802.84 2820.42 4765.5 1151.64 1480.47 1242.44 1993.12 1781.32 8349.13 2801.6 1212.1 459.6 860.09 384.26 4346.7 875.75 653.64 776.04 2571.1 4462.95 1294.79 3262.98 2185.07 1070.01 850.19 1039.37 1756.73 1084.11 3897.34 1147.06 2129.83 1888.07 1356.14 3479.27 3153.85 1003.75 4069.18 5167.91 6575.67 3221.06 6978.81 2128.88 4975.87 1086.64 1816.05 434.26 4446.07 3627.35 3346.98 4370.35 1807.69 937.31 1260.27 648.23 380.55 1903.95 814.48 1301.6 1321.06 4748.99 1893.32 3094.45 2890.51 2729.3 1707.34 2734.88 2659.85 2732.4 2688.94 2902.88 Docosahexaenoic acid methyl ester 1023.94 175.77 503.66 3897.25 56201.27 17487.69 15308.04 1425.63 303.09 109.06 350.73 516.19 5443.93 238.26 456.57 2720.39 524.37 290.67 180.77 268.17 445.74 103.9 117.59 558.71 345.49 200.26 399.38 138.82 128.95 179.53 216.52 327.6 373.93 220.73 618.53 198.5 321.07 346.34 126.07 802.05 9237.14 1780.45 332.12 448.07 137.17 4561.75 158.16 372.57 380.99 1003.42 236.49 172.67 633.85 1150.81 4883.81 592.28 1885.06 827.45 699.72 2692.76 939.67 682.84 1175.08 869.86 539.12 1733.22 205.41 259.98 1115.38 319.41 244.18 103.73 252.42 570.06 1061.42 3517.78 3510.33 3543.83 3571.76 3509.73 3487.71 3544.7 3511.85 3543.58 Pristanic acid 45252.63 195904.28 147265.08 106046.41 67301.74 331540.91 75743.76 89117.15 94026.22 63630.93 34125.71 60446.11 47908.6 35348.36 186991.79 83642.7 104805.4 115400.21 131825.54 204969.49 67413.92 187389.87 44099.66 104357.25 50372.39 66808.45 58852.34 42097.61 146681.91 98223.63 92965.86 189259.99 159044.41 133558.94 130161.57 60622.86 60455.58 79993.9 46015.72 134887.92 69866.05 77528.17 90051.12 54515.58 45208 39783.23 96313.37 427957.76 31738.01 67860.69 21588.8 44811.97 45641.37 58045.33 64684.36 154415.87 104997.76 113542.19 99190.47 306533.21 71786.06 138432.84 48722.7 132151.05 212707.63 60258.51 157801.04 73248.46 120823.95 106382.6 176454.67 91086.58 54998.26 167776.95 109368.22 99547.51 98773.05 98917.56 99062.91 98774.23 98171.04 98786.63 99066.1 99062.01 Famprofazone 208.65 918.44 2768.94 6037.96 62884.14 79205.4 37578.15 594.64 1608.16 906.27 913.24 415.23 3624.47 1243.43 910.7 274.24 849.78 1884.18 2657.81 1005.22 380.53 1878.54 2112.93 695.43 982.06 181.56 183.19 1190.84 216.8 852.33 847.16 774.31 1581.36 1590.44 547.3 150.36 216.91 1736.85 2069.43 1033.85 14967.52 2626.55 103.83 181.98 116.42 2480.13 956.58 2376.31 1109.99 244.08 208.98 248.83 1298.28 124.44 1046.43 1513.64 1837.14 571.59 731.87 2695.84 1236.12 1724.22 580.35 1821.74 415.43 797.66 92.52 1039.71 1805.26 814.89 901.59 1695.99 853.67 606.31 264.54 6191.65 6203.39 6192.99 6162.1 6162.97 6185.82 6191.75 6162.11 6162.65 R-2 Methanandamide 3679.63 3364.47 2765.55 3071.92 618.75 2287.98 2122.29 506.59 3088.08 8650.09 792.79 541.92 879.15 3804.27 4679.57 2574.19 4192.56 7895.27 2168.67 6524.98 2977.66 1744.57 1442.46 1256.66 2764.21 3728.88 2588.04 686.67 1400.76 2144.45 3649.7 2784.25 2948.24 3493.02 1769.12 3037.26 6290.96 2600.91 3903.69 3454.46 2136.12 5397.22 1251.97 2758.3 488.72 920.34 1170.48 2777.62 2994.46 2061.16 1383.23 2280.33 3960.63 2726.16 1861.47 3444.95 1317.52 2661.88 7465.73 3235.08 3588.02 2753.41 5864.82 1589.25 3108.85 2520.05 2152.43 7129.55 2414.27 5503.48 3538.17 5143.76 2420.73 3004.1 2570 103156.42 66435.69 107850.8 102776.21 98962.44 97092.09 102889.46 83873.98 94456.37 101277.2 68505.84 92482.8 89544.03 86907.0 82106.68 63059.95 92060.19 92570.86 92218.05 96613.91 94473.67 96626.53 93609.63 95700.43 86250.55 3103 3041.39 3804.31 3089.15 3024.92 2887.2 2745.35 2795.32 3059.35 LPE(18:0/0:0) 5560.66 3156.09 1274.25 1242.38 8935.87 2173.7 43146.49 6953.4 1607.82 2579.39 10953.12 2741.54 14997.12 714.94 10417.93 4069.41 1388.69 6246.66 2609.56 6156.75 1610.37 1202.67 4234.38 4992.13 2176.95 2475.27 3142.68 3182.41 16112.8 5180.92 4708.61 6795.06 2480.87 6747.41 14773.75 8721.07 27281.33 17019.17 15796.36 24452.43 4523.42 5840.8 18706.61 11593.39 8225.65 8693.47 14549.89 34586 658.48 22261.07 7678.79 17327.85 15934.29 23809.6 14011.25 8643.73 7012.97 3858.95 11373.62 6669.31 15066.89 19841.39 12103.81 26525.31 12051.47 21061.83 18830.52 8200.74 20168.89 18365.18 11149.58 2890.38 36441.51 12576.45 15405.29 5706.63 3889.83 6421.3 7651.74 6341.4 5489.09 1010.51 3175.61 6350.71 1386.25 587.47 2556.32 1288.05 1492.02 15120.32 1735.64 1351.02 3659.61 610.0 3626.11 6505.81 10941.29 13079.33 13393.77 13187.78 13139.06 13727.76 13538 13181.56 13272.53 13566.6 2-(Acetyloxy)-3-methylbenzoic acid 1317.66 9289.37 11448.61 20032.68 4308.88 5490.92 14307.91 5690.83 1124.72 1352.06 4572.4 3688.86 7152.58 10792.62 8751.2 15739.43 8705.96 2801.54 1248.45 3682.06 2433.36 453.74 2966.1 12235.14 6084.6 1013.48 3693.18 3355.23 4078.69 448.33 5691.75 1024.06 3407.83 3724.7 3761.73 764.18 4168.97 3394.72 8018.26 13154.33 1478.83 1399.36 10342.49 14832.68 1061.97 6756.75 7586.77 495.82 1039.24 2006.6 1339.54 10888.82 800.62 4154.44 10545.28 9393.55 23755 13837.34 5362.57 6501.06 15407.57 5557.05 11243.37 2491.49 2681.67 4707.39 11405.37 7021.87 7105.37 828.52 5873.86 5548.66 2633.27 5529.46 11883.38 5901.8 6000.47 6179.79 6170.51 5904.7 5917.08 6081.09 6176.07 5098.95 cis-3-Hexenyl tiglate 6118.33 3437.95 2319.1 4028.17 2508.33 5460.95 7361.67 5308.83 4609.04 1958.16 2933.28 2376.8 3368.14 5521.67 5035.21 5782.11 2956.5 4896.7 3866.53 4807.26 4882.03 3008.56 2434.11 2957.45 4032.59 3245.94 5415.8 3951.65 3512.39 7505.42 4021.21 3914.81 4098.37 3272.32 4041.13 2231.97 3334.87 6744.32 3993.8 3661.71 7253.4 5289.39 3637.02 5744.2 5668.86 4163.41 4024.35 4159.77 7165.53 4238.63 7202.1 7606.59 5598.55 4592.64 6504.93 5707.58 3564.78 5627.89 6243.38 5758.92 6109.81 5558.47 4730.91 6764.22 4916.86 4763.24 4174.61 6683.81 4961.51 6775.61 7387.84 4806.52 6707.05 7091.9 4700.4 4777.58 4682.38 4839.98 4699.92 4738.08 4911.08 4829.14 4577.5 4693.42 Glutaral 12523.55 13093.19 14210.58 11186.22 14407.37 6698.73 13729.74 19678 15417.53 13579.13 11085.65 10148.8 13279.45 11590.15 11401.6 10716.64 8912.88 10829.88 13641.86 9255.96 13521.41 7061.12 9010.46 12486.77 14482.4 13653.53 14741.49 13477.64 16033.93 9660.85 9067.33 14356.88 8894.47 14409.86 11560.31 17017.42 11865.59 4278.12 11030.47 10842.37 8507.35 10268.71 13219.12 9718.24 11809.82 8238.57 14775.12 11685.24 7488.1 9963.87 8675.48 9027.53 13374.42 8570.52 10604.26 10971.71 11734.57 11173.08 10469.51 6535.99 10314 11197.85 9934.28 11812.81 10867.24 11574.77 8621.03 15363.29 13699.32 14029.59 10369.54 11118.42 5556.33 8358.02 10226.25 10277.8 10428.34 10360.43 9811.83 10264.36 10358.91 10438.86 10426.01 10428.99 Agnuside 7170.02 5198.87 1471.9 1492.82 12588.25 9556.49 1168.71 6126.57 7515.51 6044.87 3901.24 11137.07 2699.18 2455 4228.4 5845.99 4165.57 1489.52 2513.46 8522.02 12661.98 1457.78 3808.81 4412.96 7497.3 7541.67 5351.54 3164.97 8624.72 3208.75 7950.45 7928.22 1562.85 3564.39 1585.37 2076.28 11765.91 4017.29 2472.9 2765.56 1892.54 4083.92 2896.34 1675.1 3616.42 6126.71 4398.95 1286.39 1929.82 4483.77 5004.59 4896.08 3939.03 3809.22 1235.87 2393.19 957.3 1429.2 3429.36 1017.26 3490.23 563.52 5371.41 678.81 2765.57 1501.77 1219.93 1857.64 1580.47 1889.98 1029.43 7101.85 884.16 1444.67 2425.25 4725.59 4757.83 4553.99 4750.96 4603.56 4605.86 5005.03 4758.49 4630.04 4-phenyl-5-methyl-1,2,3-Thiadiazole 1411.99 4244.1 6719.52 3124.29 3174.43 4102.6 3195.98 3490.57 2719.1 593.82 1261.04 1006.67 3839.15 952.46 4656.99 2045.03 3240.3 1144.72 4881.14 1700.72 3041.99 7329.38 5207.84 3510.97 1078.34 2637.58 4560.59 6604.87 4636.96 633.13 2435.69 1308.69 5211.25 5159.47 8902.02 2830.74 857.89 8222.15 1911.36 3233.13 1086.32 1797.78 4892.23 3500.01 4260.14 3321.85 4390.82 1756.46 3561.54 5308.35 603.24 4651.59 3174.74 3940.39 1197.33 2234.43 1877.44 5861.61 1560.6 4788.71 4449.38 3783.78 3421.78 2847.67 4743.86 861.58 3094.91 2619.38 4043.14 1398.61 2551.1 1854.34 2847.07 4036.68 3614.95 3042.02 3337.3 3242.59 3176.22 3332.66 3404.66 3280.31 3357.16 3335.57 alpha-Eleostearic acid 5888.48 12507.62 6742.19 1845.67 9426.26 20784.05 12423.18 10425.91 14298.45 7119.59 12246.57 13167.17 20371.64 13801.38 14775.33 17312.18 8266.9 12087.78 19685.07 2345.53 14618.41 9876.72 4139.25 12889.87 1164.57 10116.1 4886.46 1567.31 10321.48 6621.83 3809.24 15789.82 9622.16 22441.53 7805.93 9212.83 7181.35 10792.43 11773.22 10590.79 848.45 17860.44 13892.09 8884.87 11443.06 9639.89 10291.26 10770.04 5795.85 22276.24 8403.53 10264.66 11125.73 16413.83 849.25 1585.06 7210.33 7674.85 4131.08 3109.77 12575.65 12497.57 7702.37 15382.89 9737.6 12755.02 17570.48 9269.2 10338.33 6013.05 6916.09 9188.85 4750.96 15133.21 11214.46 13246.52 11352.58 12810.55 12448.08 12811 12463.03 12893.95 12417.68 12431.33 Silicristin 12840.35 27007.21 23649.78 32824.77 24427.73 25634.57 39524.26 15477.2 4704.47 25153.84 15488.44 36685.3 49141.41 34806.33 27177.72 17246.73 18123.14 15381.06 48216.23 12457.07 1504.44 27743.34 28909.91 49325.53 21350.23 19923.31 45133.38 26306.72 40690.43 9589.03 12403.45 30546.03 23149.02 26510.37 31716.08 29727.38 11890.31 14448.86 31264.17 25843.82 902.79 17815.47 38794.71 22519.02 14807.05 22419.29 16445.72 62631.08 26835.79 26295.95 8773.26 28015.48 35769.6 36625.78 12891.06 24518.8 7436.28 12687.51 14612.3 12768.31 48954.18 53620.54 11661.41 15079.02 17072.9 35904.98 3696.12 30968.81 23662 10904.61 11727.92 27707.15 9299.92 33625.67 24552.38 23402.52 23995.14 23042.82 23424.19 23179.47 23019.63 23406.4 23406.67 22858.47 Cyclic AMP 118187.67 110899.24 135815.58 107378.99 141668.68 49619.41 98084.35 211739.35 168022.58 136162.48 31168.4 87201.9 113063.01 130998.29 122008.76 111849.52 98305.78 82920.93 157916.43 106035.64 164321.92 62465.68 98221.59 121547.7 150311.03 145339.12 146683.23 145582.38 158056.26 89379.86 100645.43 120050.49 95878.6 146527.73 113014.27 164942.7 124348.77 31459.17 109293.13 80235.12 66395.22 99044.81 132154.76 93427.26 128100.75 63701.46 138101.69 123132.57 58261.73 87649.9 69896.42 86269.52 106246.97 68329.9 89071.56 114266.5 96021.28 86773.98 104802.06 40753.31 96293.96 87330.43 96905.84 92186.72 114535.43 100079.28 83817.75 143640.32 102975.61 138082.93 93590.17 91486.25 36147.83 57077.23 86076.53 5583.61 1209.35 5065.98 5538.06 6088.49 2662.8 6117.49 6884.51 5103.74 4081.15 4530.48 3898.73 9672.56 6207.68 5000.2 3497.9 4203.4 2373.5 12805.75 5376.0 7660.04 4767.92 7850.23 5794.72 7011.56 102480.95 102140.88 102485.71 101220.91 102257.35 102483.72 102331.77 102480.45 102286.62 2-Hydroxy-6-pentadecylbenzoic acid 8200.2 7275.17 3642.9 4842.92 4400.62 3736.2 3142.58 5240.77 3922.3 6063.21 3707.4 2642.23 3413.76 1435.42 5434.98 1188.89 4181.87 5061.9 2487.59 6433.5 2914.81 3186.18 3165.39 5740.2 6745.72 5970.94 5166.24 5534.37 5781.36 1213.26 3722.11 32861.35 2415.82 3032.97 4148.34 7767.77 6255.75 3746.53 3507.71 6031.77 2280.52 17341.94 4386.4 5500.13 4200.55 182731.68 5010.31 5044.36 1843.58 8739.45 2951.22 4350.75 4045.25 3351.81 7539.61 4199.91 1537.55 6443.26 5532.26 3806.08 4351.46 4867.41 6262.75 4053.12 4608.61 15827.15 4559.92 5878.81 6284 4753.84 2290.13 4480.55 2412.66 3324.65 8526.01 5307.39 5745.56 5442.72 5283.4 6182.76 5447.22 6183.75 5342.82 6090.82 Mupirocin 5445.38 11307.48 3525.77 4139.43 5596.45 20810.61 8500.27 11815.01 9354.37 6446.11 4977.11 12534.14 12529.16 12681.86 5834.38 3616.01 2954.53 10351.92 5414.89 9682.83 11829.11 5146 4111.04 3808.39 7152.21 7233.71 1236.68 3994.03 29812.59 9417.57 8067.48 5072.95 5087.97 3982.45 4190.28 23483.68 9931.97 3805.44 5601.36 4706.8 20278.58 17199.27 3112.66 3416.04 9530.06 4618.6 26438.29 12028.5 8640.98 806.81 5780.28 6454.92 2736.09 3187.04 5052.71 12009.64 1185.61 3301.6 4897.82 4915.2 2518.94 10389.22 4535.42 5571.85 1564.25 6975.91 9967.64 2933.02 3300.39 11078.2 4479.72 5199.41 4651.79 2761.23 5577.41 2385.49 2224.79 2532.39 1352.96 2259.02 1107.07 1030.99 2134.91 2279.75 1303.32 1518.71 3013.07 2080.96 1768.9 2129.87 1410.82 2570.3 1020.31 1668.91 2514.54 1193.24 2708.29 1639.48 2776.79 10021.1 10024.58 9764.9 9604.88 9283.75 6385.84 9363.99 9480.97 9477.21 3-(N-maleimidopropionyl)-biocytin 17328.22 731.24 1611.03 1451.7 837.19 763.93 5866.79 32522.2 27431.03 16819.57 580.69 8658.44 2916.63 1325.99 17013.79 365.05 5191.63 1076.51 15655.51 46650.19 11365.12 363.64 3177.85 3232.19 34748.21 14624.97 5391.44 1748.31 1602.13 573.26 33227.69 12064.52 6777.92 499.35 4347.8 38951.06 38294.73 6885.07 1507.93 1937.04 23303.49 38028.45 2098.3 4929.01 32064.51 3645.03 28315.67 9355.43 4776.69 16910.25 11759.62 8744.54 1727.93 441.11 10470.5 737.32 2199.61 1713.27 22037.08 553.31 850.07 2474.9 8844.76 2075.1 4040.31 12028.99 11389.72 3830.74 7312.48 35083.47 13750.23 1741.82 19028.31 973.19 407.22 12252.82 12549.02 12037.52 12158.07 11928.14 12144.22 12279.37 11920.62 12308.33 Azoxystrobin 10675.12 6793.59 560.21 489.88 5042.15 2374.25 1079.08 10850.2 7568.18 5938.08 5872.53 9434.93 5365.68 7454.93 9126.14 11396.06 4042.62 10755.67 5344.67 14001.98 11499.98 6540 1999.67 2312.11 8570.17 10781.1 4158.89 4949.23 12996.7 10409.78 9801.02 17626.46 10023.49 7786.67 4592.01 8819.66 10178.12 4670.73 6785.8 2195.67 6318.25 13114.3 4436.03 3880.21 11439.09 6612.07 6994.21 4103.68 12449.12 11813.22 11409.37 7458.35 4176.94 2739.87 9626.71 6548.49 3539.56 2907.4 10683.17 6037.91 5798.33 5250.29 7964.18 5880.96 6409.89 6720.94 9100.22 3548.43 5420.25 7956.13 8261.28 4957.34 7802.39 4626.17 7498.49 7058.36 7451.45 7362.95 7018.88 6337.12 7385.03 7044.66 7355.26 6961.44 Ethyl palmitoleate 1033.52 558.79 2250.25 1480.21 1645.88 2856.44 2594.6 3984.65 536.8 630.02 2348.98 1547.14 3034.04 2214.06 2060.95 564.81 1101.71 1594.78 2488.3 2278.18 4018.15 2809.99 1800.7 1725.14 3235.36 2579.58 1527.71 541.35 4930.36 959.6 2467.03 10155.05 1662.12 2811.49 936.7 1615.58 4965.45 1702.76 1583.35 2000.38 1290.16 4296.17 2309.11 1402.67 3895.04 2218.64 5332.54 2730.43 1237.79 5284.13 492.02 1258.59 1063.78 1255.35 3248.6 4579.63 1216.99 2768.76 6325.77 1568.76 1355.1 1259.58 1530.81 3808.13 1903.78 2879.54 2018.74 980.5 558.76 951.06 1214.85 1287.66 2047.05 2353.59 1201.26 2044.36 2009.47 1911.57 1910.64 1811.42 1828.06 1808.32 2009.81 2044.61 H-Tyr-tyr-tyr-OH 1239.28 967.65 1814.98 1111.74 1154.54 1972.81 2374.6 1393.34 1859.38 1557.76 1875.27 883.75 1501.14 2945.61 1644.4 1367.86 545.38 8309.35 2169.93 545.94 1903.27 1373.77 1370.77 1577.11 733.12 985.53 695.59 1137.86 1852.25 1746.07 5848.28 838.52 923.79 2300.18 442.57 2785.56 4044.75 581.12 1181.89 1525.13 1289.89 1338.5 2067.78 1357.59 2379.68 1312.27 4950.05 3733.93 779.58 1791.29 1540.94 3407.73 1846.99 1194.56 1700.18 2629.2 4235.14 2211.16 1200.82 1779.68 1526.16 1272.88 1060.32 1422.36 2148.38 3440.4 675.67 1969.82 2781.69 1944.19 2687.17 1552.79 362.85 2127.8 1862.44 2287.11 2107.57 1288.23 2207.98 2107 2283.94 2272.23 2285.3 2289.31 (4S)-6-Methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol 18788.1 1942.23 2104.1 3171.43 52681.48 3099.59 457.66 24575.04 9210.88 345.84 340.52 9248.52 13918.76 10921.55 9341.24 27489.28 3748.86 13088.73 1554.78 1796.46 25862.88 1829.45 3589.35 3255.82 13853.25 4566.32 1527.78 3047.5 25093.53 1066.99 11031.25 44655.35 13663.66 5292.69 12107 17312.51 13716.96 4616.6 3660.41 1554.66 5809.44 33090.87 3691.17 7805.2 14266.44 10140.57 3838.36 3152.7 22714.95 27814.98 16953.49 11902.72 5532.9 16919.45 22078.09 6930.24 2048.67 985.72 21231.8 8916.8 3691.88 11975.04 11153.52 2971.09 1240.88 16065.74 2145.47 6597.14 3653.51 4028.74 6716.8 14666.1 5748.65 3669.68 7754.1 13446.58 13451.32 13649.47 13452.98 12515.84 12612.53 13060.32 13163.39 12520.74 D-Glucosylsphingosine 4732.25 7606.61 6489.35 6051.7 6823.88 1930.27 10939.63 4642.92 6567.53 5400.04 3994.72 4925.27 4151.44 6821.71 9659.03 4975.75 6913.07 3158.85 7457.79 7211.78 8259.12 5618.48 4811.06 5837.81 4469.69 9348.47 5749.58 5404.04 8183.03 7422.96 6885.76 8033.01 7082.74 7950.76 5476.3 8236.95 6161.86 8896.52 6346.82 4612.48 10627.08 10109.86 5269.13 5284.64 7057.47 5834.5 8881.18 5868.4 2357.05 9826.49 8306.66 8028.82 4433.6 5558.74 5804.8 6587.82 8985.62 5212.41 6706.95 8142.49 7617.46 7865.69 6806.9 5195.92 4336.18 3601.31 9495.2 4765.08 5443.78 5225.3 6924.61 5463.48 3958.01 6074.29 7741.18 8851.33 9330.74 7968.58 8837.65 8927.21 8410.61 8853.55 8614.72 8855.8 Eicosapentaenoyl Serotonin 588.8 95249.77 69338.36 67645.59 162606.1 739.13 117392.38 161250.07 182288.77 111787.69 63725.01 661.74 66300.48 65956.28 111736.08 99659.59 58186.96 115689.71 106105.01 193502.58 157840.76 47177.15 82822.41 92925.35 131058.56 1466.61 89932.64 106593.12 202698.48 33688.47 132214.17 93814.56 91460.2 100986.01 88028.57 201164.49 129565.07 139439.41 80657.49 61373.26 203575.95 214733.47 96636.2 68439.19 169125.99 63124.73 167831.91 92806.67 70960.5 137806.07 85880.88 135071.03 83699.99 101272.44 74892.76 117529.14 48142.47 40167.72 115022.61 99470.53 52322.41 56121.89 92968.08 77160.12 60244.62 157221.38 156764.53 37132.84 79123.23 131387.78 128408.68 113348.86 67883.4 74428.79 86665 123614.6 125195.63 123511.6 123513.06 125284.49 125259.2 125222.41 123614.24 123509.83 4'-Hydroxywarfarin 12185.97 2808.51 1679.06 2404.25 7603.61 8647.36 2455.88 5667.07 13551.96 8036.05 4463.73 6816.64 2265.1 5783.58 10838.93 3474.59 1160.26 7244.39 8388.34 11482.28 9730.17 1657.49 5786.92 4780.39 8628.55 7942.98 6176.63 9267.9 6854.82 10174.53 10343.72 9769.8 5423.85 2998.63 1619.28 2454.11 6562.56 1664.48 7086.48 3782.04 13012.57 13537.05 7268.58 5312.56 9255.29 4940.99 4561.99 7827.43 12420.53 3871.8 9252.36 7761.84 2778.34 9405.67 9164.1 4163.52 2707.39 1557.09 7178.22 6127.98 4578.03 7343.9 6859.1 3118.09 6129.12 5824.7 10046.11 4049.03 8516.94 8221.99 7862.49 9093.29 5645.91 3706.05 2384.93 24341.15 25740.24 33791.78 18657.04 22773.21 26085.82 56200.26 29088.26 53353.09 35876.01 50626.09 52763.83 35509.59 29048.03 44664.93 29522.7 38883.97 33959.06 27597.0 27929.05 56082.54 54059.68 19068.87 85238.85 37779.45 6516.56 5893.69 6498.67 4918.83 6146.54 6520.44 5816.36 7011.6 6674.6 Orlistat 10258.9 13217.37 2337.63 6188.78 11935.06 15890.11 3767.72 5519.18 3552.62 7563.18 2241.8 4502.17 8033.32 10770.24 6956.6 7191.01 8234.64 12433.14 13486.43 10547.08 7899.59 7464.29 7341.46 1851.29 7480.53 11751.91 5352.39 7509.66 11995.94 10892.7 13369.74 14492.22 2243.3 10832.91 2148.89 10833.53 6673.55 9971.55 6760.46 8174.9 6821.59 10432.13 4482.37 7022.84 12914.69 11379.5 5038.47 8304.97 11074.11 12989.93 12310.3 10948.15 7421.21 12578.03 7677.25 10225.36 6858.88 6581.8 6880.86 6246.77 6813.31 5892.86 8380.35 8573.55 5964.62 1593.2 8706.9 7345.37 7729.4 5212.36 8314.61 8052.06 7429.84 5164.4 8127.45 7831.49 7808.24 7342.9 7718.84 7819.87 7626.67 6108.76 7528.6 7454.27 Isopropyl linoleate 3001.68 10346.2 4799.11 5401.66 7932.5 21103.92 12685.88 4840.94 6538.27 4011.62 2423.72 3942.73 3358.19 2012.09 2833.28 4185.75 6783.62 1756.49 3652.9 4951.59 3964.08 1045.75 762.6 4575.49 549.23 3573.7 3065.14 2889.49 2289.64 17676.07 3242.63 4296.72 5501.62 4740.44 4361.09 2382.85 3543.48 3922.64 2623.81 4178.89 4654.54 3577.27 4449.31 3930.65 2840.4 11309.02 4722.41 5822.68 1907.12 4924.43 1453.93 2454.97 3621.56 3605.51 4462.36 7443.53 5004.15 6662.33 2714.24 4951.59 4397.62 4521.74 5083.2 5527.42 6329.46 4631.93 12195.8 3835.71 4158.09 3726.2 6597.54 4174.3 2658.69 7689.2 6657.95 4777.53 5130.66 5227.1 4164.62 5180.28 6079.65 5030.21 4428.21 4803.96 (24E)-24-N-Propylidenecholesterol 835.21 2093.1 1004.09 1992.3 584.73 1598.54 3498.64 700.17 4142.3 2435.44 427.25 3374.16 3305.78 1986.48 4503.1 7054.06 1470.63 2130.79 3122.93 2903.15 2604.97 1008.8 1050.9 384.7 1935.41 978.09 1991.75 967.03 2972.72 2302.7 1076.27 5274.06 1418.28 2042.43 3490.12 2220.26 2275.64 1487.95 570.77 2571.04 1674.2 2664.78 4169.92 3473.68 1336.05 1842.5 746.18 5464.15 1355.96 3275.52 798.93 1274.18 3783.1 4017.89 1664.53 5454.65 2023.71 2112.91 813.74 946.85 970 379.22 1213.61 3899.73 1786.62 2531.84 10790.95 2357.01 2683.37 2360.7 1356.06 526.9 2728.87 2964.99 2693.33 3511.29 3290.75 3261.06 2744.5 2998.81 3454.75 3342.18 1969.22 2861.03 {5-Chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl}acetic acid 1257.61 748.79 1396.06 262.57 1044.55 941.71 1084.53 2141.95 327.82 2610.63 628.71 1301.57 3675.3 1085.21 1471.7 2772.81 2330.1 482.24 1915.23 1500.24 377.46 1343.45 4914.59 761.35 916.49 2906.61 3302.66 1672.83 2201.32 3661.75 1454.14 8317.07 1937.01 9315.95 7494.6 5392.15 882.36 686.38 4414.6 5203.95 4070.64 4311.69 6096.4 15982.12 2910.46 7413.48 1593.55 4835.19 1870.21 1984.06 1904.77 1776.14 5358.36 5733.34 8071.6 2510.75 2201.38 4025.21 2971.52 3109.58 1932.72 6012.08 1574.15 4703.55 926.78 2619.73 3922.2 9438.1 5663.52 592.42 3467.16 6474.45 2765.1 7016.24 808.29 5644.1 4659.28 5486.98 5042.01 5785.42 5545.32 5274.05 5504.07 1930.05 Menatetrenone 11275.75 15732.46 3481.65 5644.58 9443.4 7798.52 3999.52 7797.99 12941.97 4524.66 7796.72 5318.66 813.81 7734.81 16366.74 3086.82 11043.11 16235.43 12069.46 20786.17 11369.89 4604.41 841.44 15190.2 12379.54 15673.84 10659.61 2889.62 12370.4 4887.83 19232.54 9975.79 3070.75 6561.38 13003.65 9364.67 8849.58 2987.41 2775.43 12212.19 15176.68 19967.76 12021.01 11321.63 8982.52 11483.89 14883 15567.26 8913.49 15601.31 4787.88 9873.66 5525.53 12956.28 12774.71 13430.58 11097.24 10882.39 11840.36 9586.54 7373.05 1615.95 13802.18 13083.34 10413.88 13127.17 11134.57 9639.68 6893.69 19314.71 9579.87 11082.45 12172.93 13283.44 8746.87 9740.07 10102.83 10570.52 11882.73 10866.02 10393.3 10879.38 10622.02 10864.14 Nitroarginine 1424.55 3493.45 5033.21 5637.13 2424.89 2782.3 2422.37 825.27 1490.09 569.03 983.94 807.92 3624.42 2634.22 2540.82 4741.08 3578.5 3089.32 4834.21 2126.58 1694.21 1694.83 1041.89 3348.35 1879.99 1791.67 2251.24 1538.7 1648.55 2168.46 1867.76 1540.97 2235.59 3821.74 4270.77 846.57 1948.77 1421.6 3327.23 3674.96 4815.14 1917.55 3691.24 3262.58 2125.02 1434.62 2953.08 11448.52 1830.95 4603.47 2965.62 3366.65 4207.05 4870.73 3417.25 4598.58 8961.39 7433.33 2091.56 1136.13 5136.67 3678.59 5518.2 5369.71 2852.58 2719.76 1772.28 2074.58 1408.28 2346.01 1353.54 589.4 3747.7 7004.53 5466.09 3868.44 4281.44 3745.69 4034.12 4023.64 3823.74 3831.44 4028.34 3957.47 cis-11-Methyl-2-dodecenoic acid 2797.65 3493.5 8051.15 4935.59 5298.68 3318.54 6420.17 8257.09 5419.73 9366.28 3211.28 3826.42 9074.32 4958.73 1847.5 5091.33 2035.89 2724.89 10394.93 3552.62 10100.64 3046.26 4096.19 4026.14 3390.02 3365.5 8614.97 4880.4 3253.6 5108.9 3705.47 4296.06 2382.38 11295.26 5857.32 2976.11 3618.63 3042.01 8813.7 4577.49 3070.78 4990.77 11941.19 4194.35 3423.93 4290.13 3768.11 4348.65 3783.06 5494.68 3440.48 7658.79 4097.46 5947.2 2817.89 1902.11 5240.93 4262.01 2966.88 1295.24 3581.72 3407.86 2841.09 5377.26 4458.63 2559.83 3387.92 4735.5 4176.3 3168.36 2879.89 4873.47 4344.63 5586.71 10140.51 4751.95 4834.1 5015.25 4951.07 5038.32 5082.91 4947.53 4600.42 5095.29 Corticosterone acetate 988.93 774.21 283.98 522.49 3211.34 2156.92 1769.26 1842.31 2609.6 1223.45 1177.63 3282.05 1559.31 753.01 457.22 1932.88 800.79 4153.58 1296.22 2965.71 2939.12 1214.35 1318.42 365.91 432 2277.5 1389.27 1006.39 1678.33 842.58 1072.12 2531.39 849.54 1109.78 402.44 1162.62 459.78 1211.09 300.31 327.38 1918.13 4951.09 659.24 922.16 1360.56 3299.99 456.56 347.79 1395.79 3484.24 2536.72 933.21 743.14 507.87 2613.47 439.33 870.99 481.04 1674.33 2448.97 923.7 1202.22 2085.69 1462.29 364.94 1754.16 1132.5 371.11 976.38 1374.73 1186.4 1473.77 1867.51 1019.21 872.47 2262.4 2125.88 2248.5 2210.62 2083.42 2266.6 2276.16 2074.25 1761.13 Bupivacaine 2011.16 1635.63 1801.08 2076.03 18395.09 16872.91 12269.91 1515.06 2842.1 1656.88 825.57 1255.07 4760.87 1371.14 1690.24 670.61 1462.96 1556.47 1756.32 1149.77 2485.99 1120.35 1363.31 1337.22 1933.98 2856.8 1967.44 1612.82 2085.96 1045.51 618.2 992.35 679.45 1206.92 1018.77 3125.54 1409.9 1009.05 1124.54 381.28 2336.75 3426.81 388.81 2681.04 396.68 6402.98 2105.53 2091.25 350.36 818.23 2004.18 1268.08 582.05 1705.6 1975.82 562.13 2072.55 1051.88 1352.05 1554.16 1519.43 599.38 2377.95 354.63 1011.73 1972.94 3045.45 1575.63 1873.79 2326 1564.36 1318.1 392.64 817.14 3003.19 3315.8 3668.43 3420.42 3579.41 2875.74 3387.42 3442.85 5358.25 4775.75 5489.09 5175.49 3169.22 2708.64 2687.14 3157.76 5717.59 3152.03 2918.68 3048.75 2663.61 3865.27 4317.04 5550.13 4134.07 3911.92 2492.57 2345.91 2386.01 2445.65 2380.67 2298.5 2595.95 2533.34 2171.69 Tyr-Gly 3381.77 10346.76 8514.19 7802.67 9600.42 27819.08 8971.74 2128.53 4399.61 13332.8 2620.49 9914.27 11284.17 8553.79 13310.79 9311.34 8738.89 6159.78 17205.26 1330.06 6035.91 8831.37 7189.35 10498.25 9786.43 6533.09 8722.88 5712.72 13481.89 4504.99 752.86 9851.31 9243.44 5057.27 7691 8532.46 4070.37 3831.24 5402.1 8249.68 3534.88 3107.11 9189.54 4826.83 5295.98 3947.18 4694.06 13791.23 3983.27 9788.54 2617.43 4574.75 6931.79 10207.07 7146.43 11147.96 8877.11 8898.36 8582.39 8843.13 9700.38 11491.18 1920.89 6898.53 7097.97 8031.43 708.8 9497.98 8379.08 5491.5 1357.89 6083.84 5980.4 8911.66 3978.25 7243.62 6640.6 6762.71 4975.4 7047.5 6340.74 7276.65 7082.88 6834.61 Retinyl propionate 30382.39 46007.15 15550.53 33664.9 10942.93 28689.64 33100.03 2275.54 49404.31 44430.54 36730.36 3951.53 22873.09 44795.19 36482.69 14985.03 38459.22 41775.94 30940.39 8347.4 38545.36 40007.46 17396.88 52164.68 49702.35 34766.94 19618.8 26371.58 29914 36321.63 31902.83 28684.3 31863.66 22518.56 43980.09 38650.78 44862.41 51664.54 55907.29 48184.31 35866.13 13837.54 36759.37 44843.86 13541.63 41731.4 15462.43 22849.78 30758.46 33158.42 41141.69 41163.59 41001.47 33846.48 34551.72 37009.55 26508.63 4077.09 39619.89 50498.67 20664.23 46497.78 33634.04 44492.55 39160.57 30080.62 31013.2 48555.74 37618.22 35693.19 31301.34 46678.34 42300.16 36407.33 33282.65 22549.55 26019.37 24058.94 21487.53 24022.13 23356.99 24585.86 24423.19 19953.76 beta-Elemolic acid 7339.89 4995.54 1407.89 14469.19 5951.77 13427.42 8367.88 7825.41 6750.59 5754.71 6847.11 2637.95 19494.57 7233.54 5879.3 8663.41 1182.7 7498.45 4597.8 1339.78 9055.85 337.97 4702.18 4647.95 5861.89 5747.52 367.53 5364.21 1164.76 7548.61 8323.17 25562.63 5217.76 5967.63 10163.57 7409.42 7437.21 7100.94 5578.82 5841.2 11307.35 16298.82 6639.72 9584.39 16666.59 70695.48 5577.1 6668.95 4378.67 25198.13 8821 4298.86 7476.46 8149.82 8477.72 6426.28 6448.62 6780.63 5248.41 5838.34 6547.04 4689.41 7338.95 8625.77 8190.57 27951.29 7731.77 7099.87 4815.52 2672.91 6802.67 8343.67 6375.94 13987.09 6444.66 12258.58 12642.94 12378.18 11945.84 12569.47 13110.04 12608.06 12282.33 12883.23 13,14-Dihydro PGE1 2199.13 18091.58 57206.44 1197.79 89954.86 9204.8 38322.73 50511.4 6518.3 8100.23 1757.69 3789.72 15496.8 5032.5 16344.73 30279.12 2178.61 5589.42 55937.22 36242.51 37296.12 767.28 38293.8 25327.99 37552.69 2542.66 15097.45 13703.13 56313.01 29090.3 764.58 4224.97 26157.16 20801.05 29377.06 41055.41 19368.88 3232.36 19535.25 5718.41 5244.57 12319 30036.04 9118.64 20541.99 14009.25 33514.21 51736.87 44205.16 45389.18 27182.41 15250.46 47111.07 27614.02 38021.75 8001.12 12529.78 3730.22 23638.4 2503.2 26117.09 9641.97 16609.02 51423.94 23507.9 15644.05 848.52 11934.07 6621.7 37775.57 9739.67 14781.66 70369.65 25324.23 18213.29 13816.47 19442.02 18928.46 19048.97 18999.74 18793.94 19612.39 16357.97 19425.21 N-Oleoyldopamine 1917.54 2591.54 2214.56 4352.26 3618.15 3872.66 13422.92 2015.7 3046.42 2251.2 1625.7 2118.8 40437.23 3098.2 2758.46 293.98 3106.57 4827.29 5518.6 4931.99 3501.27 2376.14 2225.96 2876.25 2037.83 3678.68 3149.96 2005.39 3284.01 2971.46 4570.51 7944.9 2833.7 6249.28 2478.01 2563.67 2778.17 2770.24 1586.41 2097.51 4989.93 5584.96 2400.85 2465.87 5076.19 38877.34 3488.34 3029.37 2817.08 9735.44 2880.08 2999.3 2722.41 3309.24 3084.16 3759.91 2787.25 1125.67 2573.18 2417.46 2075.15 3562.97 2220.01 2828.45 2051.67 1766.54 4843.7 2225.25 2736.34 2660.48 1635.36 2832.99 1625.92 6938.36 18093.14 5362.19 5297.5 5432.77 5426.08 5436.16 5457.59 5623.81 5185.74 5415.89 Cholesta-4,6-dien-3-one 10333.43 12577.94 2126.27 9523.22 1792.29 2317.55 4094.26 3702.2 2288.83 3177.47 676.98 1417.31 13079.88 20141.66 354.97 3801.37 651.79 685.96 1777.92 18954.16 840.81 819.67 1182.45 731.2 2707.6 944.49 1265.24 1829.95 2421.95 486.08 12185.68 29277.35 1569.84 3077.85 3140.71 9089.96 5627.77 3211.37 1048.17 3646.82 23854.22 12014.62 6621.08 5505.06 17510.63 15590.11 10655.59 7853.21 14766.1 37600.7 15028.1 16459.03 7592.91 16826.44 5713.73 9343.74 3149.84 1845.33 4497.28 1378.74 1865.01 2075.05 9874.9 6443.73 6835.51 10031.1 20141.56 4955.9 6198.09 839.94 1891.89 3710.32 2143.58 9157.94 10317.6 8047.9 8324.1 7829.6 8296.62 8426.88 8534.12 8301.96 7874.15 7423.35 1-(4-Fluorobenzyl)piperazine dihydrochloride 74420.26 84745.93 59089.58 63500.13 100109.99 136116.02 89147.33 100598.95 110780.3 80258.67 57325.94 62332.37 66847.42 58048.11 81909.04 74634.15 53598.74 75245.88 80729.68 101671.12 90332.75 61191.48 52776.11 74189.28 93955.13 103282.66 65266.73 74519.79 114906.15 39276.93 102966.85 93051.42 54926.91 76073.23 73197.75 103038.05 83939.78 95810.26 69156.96 60351.48 113148.98 122787.2 72990.02 57497.62 98568.67 62440.21 99347.62 74894.83 59626.59 93151.04 66714.72 82362.56 70075.29 81499 60621.99 75742.96 48753.57 40279.28 73393.03 68973.93 44248.86 47779.89 66175.71 68260.67 55497.56 94562.68 96805.42 58716.76 64906.83 84624.6 85842.16 81232.95 67162.15 70837.47 72144.96 79404.36 79012.24 80269.92 79104.89 78709.89 78619.94 78843.76 79275.71 78691.84 Conessine 30587.85 27601.49 22166.03 23488.92 17065.5 15479.89 13435.1 28850.87 29172.63 2669.71 27108.09 21654.85 969.85 35972.84 27161.54 21112.7 26407.62 25219.37 25265.43 26740.36 26343.88 32453.55 27796.12 25989.91 30618.59 1061.4 25723.53 552.76 25582.18 27536.81 27975.35 23010.33 21758.35 15109.85 36271.44 29943.27 32748.89 33785.48 12477.39 37705.1 24846.99 26659.3 3613.44 34547.78 29373.13 26512.38 27698.58 27151.14 28617.2 23284.89 29261.06 29183.43 30227.2 25237.85 25197.98 19455.52 25829.08 31737.99 29740.23 35595.11 31140.03 34673.58 26840.6 33126.61 31428.91 26738.56 28795.04 27552.49 32063.44 29885.71 30501.76 32944.91 30817.88 26763.76 34325.22 27394.07 18656.5 29743.32 27312.17 25967.07 27540.75 27477.12 22400.89 25380.87 26546.22 18825.58 24879.56 23380.01 23049.97 21302.83 16842.49 24351.98 24795.4 24326.79 25335.02 24684.61 25387.58 23431.84 25253.29 20141.63 26970.48 26627.34 27554.48 27547.77 26721.24 27488.19 22530.74 27490.7 26746.45 L-Prolyl-L-methionine 15542.84 19240.85 2517.78 11699.71 21658.93 16366.06 11115.11 7482.97 16209.22 21243.11 12927.85 15672.31 5021.88 15560.35 18933.41 3850.8 1957.06 17545.87 21070.76 15538.86 9828.33 2836.25 4895 19819.88 20164.83 18116.59 15404.75 14982.57 22242.62 8096.25 18596.72 19755.96 10639.25 18228.97 15128.56 14290.08 7110.95 13269.42 9679.33 4958.18 14550.09 9139.19 14825.52 11437.68 17925.01 10504.92 18672.51 16881.31 7755.44 16039.66 12667.59 14787.46 2027.88 14338.16 9510.71 12146.29 11789.49 12218.63 13515.63 1196.34 9981.16 4481.4 11296.74 12335.24 4753.85 9558.73 11020.13 17375.48 1986.57 16622.77 12698.68 3689.72 12190.73 13064.79 11221.86 3811.08 2365.71 2547.59 5642.08 629.22 3658.07 4149.3 3293.63 4856.0 1675.25 2492.97 5142.35 5970.45 3770.78 3171.56 2587.7 6003.45 5315.6 3496.92 4564.45 4716.99 4679.67 3871.89 2447.63 3210.42 12657.49 12951.61 13211.51 12034.22 13206.76 13217.05 13193.91 12954.9 12712.36 Testosterone cypionate 6463.02 7761.56 3278.49 6851.84 27114.56 25742.6 4819.98 5618.58 9204.83 9518.18 2011.51 5910.45 7900.98 662.75 7495.75 13051.06 4406.36 821.21 6562.48 14587.09 8853.32 8809.67 3981.45 2399.13 9625.08 19062.36 3048.6 2935.35 4541.45 3711.59 7111.72 12015.45 10499.1 1234.81 5489.1 4457.98 8134.21 7459.94 3679.38 2988.15 4145.05 10102.79 2550.21 1397.03 4747.14 4287.32 5919.72 4830.13 2159.66 21055.44 5636.43 5133.47 2691.31 7876.89 6490.61 5306.79 5390.41 4132.67 7597.86 7986.68 688.46 3339.73 6721.24 6271.21 2994.27 11086.3 11506.77 2966.64 3177.17 9439.76 10307.02 7549.25 4610.2 8046.42 5807.78 6521.9 6668.79 6647.97 6473.07 7518.41 6482.8 6277.51 6414.43 6709.42 8-Hydroxy-2'-deoxyguanosine 2536.05 12471.79 5165.6 6931.79 6429.94 7272.06 6585.19 2226.06 2177.11 10144.84 2832.3 4011.35 8932.19 4182.81 3528.8 3846.59 7696.31 3091.77 5886.55 1795.73 793.42 4811.2 8054.32 6265.6 3191.68 3262.97 5018.24 669.52 4554.74 1828.17 1884.06 3029.77 5593.47 10306.6 8652.7 3434.22 2807.43 3552.4 3981.14 6884.87 375.22 2625.24 7069.28 3635.17 1049.36 3942.85 1958.1 7224.88 4497.39 1675.65 3121.46 15298.31 7033.65 6336.56 3785.19 9250.12 4491.45 5033.75 3005.07 3254.6 6889.27 13914.98 3753.11 6232.45 4028.4 5004.78 2804.21 4374.77 2366.67 3094.71 1363.9 13421.52 1767.16 9194.04 3876.18 12600.33 6081.61 4737.46 11918.23 6842.75 7498.94 17302.29 14433.92 6083.08 6442.29 6916.44 3557.5 11138.35 13539.83 9362.27 12784.1 6764.73 8421.11 17536.62 14959.83 6517.2 10296.21 19696.51 7902.82 20013.18 6102.72 6001.98 5934.16 5963.9 6032.22 5938.99 5933.97 5793.53 6027.1 3'-Adenylic acid 25667.55 23449.05 29861.32 23001.11 28696.63 13898.77 17290.46 35514.73 32222.47 29695.07 5652.5 21899.3 25728.43 26024.72 24125.97 21169.89 22946.32 23036.92 22983.17 22833.98 28534.76 13049.37 19797.89 25228.94 33339.48 36139.26 31018.04 31197.54 28637.34 18581.59 19319.42 28174.97 19188.14 26017.82 22473.1 24017.75 24674.94 7606.8 22873.15 18972.92 16026.49 21212.12 26095.85 21865.36 27751.16 13378.81 27753.76 27186.38 13724.35 19058.3 18583.6 17861.82 22719.95 12211.82 15655.65 21054.86 21209.5 18760.87 21082.79 9415.05 18877.54 20743.82 22443.2 20600.26 24782.15 22552.68 15636.49 30652.81 21889.12 25148.09 22879.51 18154.81 9977.35 12043.89 16987.17 4382.27 5112.1 6376.12 2463.52 1764.32 7144.64 7528.17 1568.62 20061.62 10065.65 28438.52 81141.89 3809.77 1012.35 22249.46 2545.03 9133.33 7994.73 1047.1 6155.62 10921.75 16764.46 3007.62 21607.48 2723.13 23485.15 23020.96 22736.79 22741.75 23024.91 22260.47 22732.72 22744.93 23036.13 Isotretinoin 12031.35 5320.72 10174.18 1559.86 2087.56 1551.53 2353.93 5227.78 1866.41 9124.39 9318.51 7013.06 1535.33 9258.25 7973.37 4241.39 10844.59 6459.47 707.38 26634.51 3621.65 6991.11 10655.88 10337.74 6693.7 18671.5 6646.2 12191.47 4020.54 7389.97 1098.75 6494.86 5211.01 13130.53 1109.84 6195.79 2841.2 9627.52 3705.09 9405 4920.43 4119.41 8139.57 14148.94 27676.67 1652.57 5106.53 5631.28 4881.31 2739.01 2420.63 4058.75 6958.88 10173.12 872 6822.85 858.06 2418.45 3458.9 3708.69 4512.94 3044.8 9349.7 672.84 6871.5 4385.76 8858.55 5005.07 1313.66 6907.84 5910.59 5532.25 2876.75 2082.18 1406.37 3255.21 3173.72 3399.45 3447.53 3447.07 3184.51 3245.47 2526.9 3525.87 Docosanamide 32150.06 278296.21 58463.5 130135.79 63893.76 203119.95 3005.21 3411.34 82966.81 65351.98 581.3 81647.52 82586.32 59727.63 107198.68 108421.85 92021.71 134718.3 116178.63 115967.72 443988.19 45109.14 61951.58 25848.11 67740.02 64222.63 42059.99 46220.94 76422.83 65159.23 70528.05 80979.1 63269.99 63043.84 42174.63 96362.3 73381.17 73474.52 63213.92 59272.72 67578.81 190347.57 36097.26 55893.73 94669.83 71022.92 49595.19 105639.1 59383.6 61075.73 97745.79 67205.92 44516.1 126530.43 53194.14 72797 64369.86 43197.01 42638.46 54694.85 36337.24 44066.26 65161.86 17222.31 33140.41 37771.19 50318.17 28020.08 34285.6 46721.12 48341.98 26967.17 28912.15 44136.58 52160.84 61808.17 62333.32 62982.12 62392.89 63388.22 63328.89 64416.86 62369.47 63371.53 3'-N-Acetylneuraminyl-N-acetyllactosamine sodium salt 6864 11178.02 13196.28 1954.92 1678.53 3615.13 2819.35 3632.88 1749.56 8528.08 9123.74 10011.36 420.38 10024.17 5026.2 10328.94 1179.06 1674.96 14873.48 5393.9 1821.81 4676.41 12161.02 17185.58 2817.18 6208.25 9394.98 12903.63 7838.44 13049.93 6349.62 13063.89 2336.34 15600.52 13208.13 10487.84 8911.34 8102 12096.78 9982.32 6225.55 3482.26 18694.49 9958.66 9130.19 6324.09 11143.29 16333.6 13776.92 15005.74 4626.63 10738.34 13886.83 5999.49 9447.08 8687.32 9231.54 12189.45 4272.56 2134.32 12960.4 12095.95 9027.05 18165.19 12007.25 11731.39 8334.97 14156.64 8604.51 4239.79 7509.3 12614.8 13346.23 16465.14 8572.96 9298.13 32507.23 26382.92 25552.67 16312.44 32584.07 39134.81 12249.33 25977.02 27927.72 28672.19 25286.32 41404.52 12230.65 12912.81 26585.16 25346.97 42021.52 20330.91 58739.75 92539.02 16739.51 34146.01 31757.75 23668.39 12901.38 11343.18 11442.54 11208.47 12434.42 11337.72 11343.68 11602.44 11423.7 Carpropamid 3565.6 14524.6 2523.84 1379.98 3375.16 525.06 578.79 2874 13838.65 7707.85 6986.97 2028.69 1423.07 2746.79 5007.76 2281.94 7736.28 1508.09 2898.94 1042.2 3479.62 1947.77 956.27 5864.59 5349.16 5800.18 4555 2393.08 612.24 3583.16 1317.59 2016.17 925.35 2484.83 4443.91 4410.79 12908.01 8008.5 5589.99 18734.74 1342.74 3938.03 3830.24 5964.79 7128.83 2734.32 2560.78 1296.2 2101.16 5402.38 3924.81 9585.61 3704.59 5606.26 4914 11261.14 31742.6 7842.14 3649.37 2784.81 3919.15 1273.65 14495.89 15861.38 5585.38 10981.85 1232.63 8840.21 9523.34 10287.19 7899.23 16501.01 7599.46 8471.58 11666.38 5877.5 5890.36 5709.34 5288.15 5719.59 6066.56 6387.03 5769.41 5875.6 Apocarotenal 32528.43 25068.05 34783.54 18577.31 830.96 9813.92 28361.91 955.69 39469.3 75912.54 5045.15 58187.1 14830.5 22755.65 25447.52 16286.79 42830.4 73806.78 24533.39 29082.81 27160.76 22307.95 31375.58 11813.59 21716.74 22470.55 52170.04 36706.48 16974.44 25335.36 37510.44 28920.88 29621.1 30898.43 34287.58 25001.47 31577.35 54373.66 103743.07 47859.74 24041.8 105537.91 18766.38 37019.07 20518.39 17587.01 16760.16 22475.67 17435.06 24430.64 43433.68 14603.58 42437.88 22297.17 18572.99 22831.5 19386.21 41895.16 38955.26 44073.56 53771.48 46048.48 41571.03 29469.81 64325.14 33113.23 22045.84 60122.82 29419.7 41959.53 40009.78 81726.15 31594.01 29278.6 40748 32033.29 31797.91 31800.69 31466.8 31802.53 31490.83 31309.81 31724.47 31424.62 Tacrolimus 912.46 3633.05 29471.41 2162.56 979.19 1265.41 2341.21 490.81 6900.89 1076.19 3193.95 1411.41 2953.3 476 4080.21 600.26 4697.48 3407.27 2203.44 1709.67 11562.5 1558.31 8069.34 1197.08 1042.28 1046.11 1103.26 1039.25 2332.33 980.37 1311.45 35413.09 1432.55 13765.87 11000.44 20534.56 9782.76 3757.59 6483.65 4519.03 4516.62 22624.75 10299.62 6632.27 19021.71 10604.79 8821.55 19967.34 46152.43 26578.93 15821.22 17201.58 18150.61 22177.23 18421.76 6092.08 15376.31 4640.6 9175.03 2881.46 15441.04 3895.84 12315.4 23801.26 12560.49 11171.92 4013.36 8241 5433.39 12149.4 4250.99 5343.01 8002.75 10657.02 11917.07 2878.71 5030.85 2324.61 2950.7 4527.05 2506.35 2928.48 3064.67 3024.68 2989.58 2984.95 3151.3 2458.28 2759.41 2458.14 714.29 2998.91 2708.08 3116.43 3960.03 4216.73 2629.87 2720.3 3721.49 2879.82 11613.42 11997.83 11450.67 12471.33 11681.61 11989.2 11608.38 11563.28 11560.79 Carbamyl 27860.85 12879.07 28298.8 24803.27 16053.88 8680.58 12829.98 16341.01 19542.47 7932.61 26035.09 10744.68 18486.81 32845.13 1609.07 13543.33 17267.73 12818.8 1070.63 1518.21 24964.53 2977.66 20765.87 28413.63 11729.9 3748.71 17356.22 24022 5455.66 7292.08 9515.61 10369.5 689.23 25830.61 24741.31 3678.47 25416.88 3601.93 59731.67 33979.32 2409.77 3464.49 18868.26 38002.98 13663.93 95613.3 7411.52 14847.84 12360.13 8095.69 43277.42 28639.59 25357.49 32832.53 34547.94 13306.1 19501.19 13438.14 8818.16 789.83 26815.97 20634.24 40908.5 14565.62 3578.47 25507.7 13868.02 11284.78 22036.81 24099.33 32925.72 9380.53 48762.52 26298.11 33982.05 16245.23 16292.29 16224.81 16391.26 16522.44 16321.44 16379.45 16381.39 16381.15 Lanosterol 5729.03 510.99 789.47 15540.88 5690.78 6916.38 506.43 1788.7 1260.64 7005.88 4638.67 4500.33 2459.93 8172.04 13777.01 15231.8 3425.18 3272.25 516.14 10456.7 2673.27 8997.84 8315.21 1204.57 2586.82 576.75 883.59 660.26 2254.5 596.66 13152.63 605.42 8405.86 4437.92 6967.18 3165.79 5046.82 4857.07 4001.33 3969.59 7000.14 3951.45 6028.3 4297.21 6269.02 3044.45 6546.87 3107.07 2112.45 3287.91 5068.02 3809.96 776.36 4157.59 4185.47 4180.04 4973.31 5163.34 3714.38 5054.54 3040.46 4550.67 5123.83 1393.94 3765.13 4857.93 3639.91 7218.47 5523.31 4689.5 6634.79 3584.81 8302.1 1421.92 2653.55 4962.72 4849.17 5106.27 4877.9 5088.68 5025.5 4875.02 5086.96 4630.73 Pivalanilide 3721.25 3050.77 3433.54 3224.19 3278.06 3788.25 5636.11 5284.29 2133.28 1169.16 4107.08 3057.03 2669.67 3866.05 3032.3 3021.04 4588.26 2899.58 3166.73 3142.92 4658.14 3762.73 3685.95 3578.87 2428.88 2616.07 3264.83 3080.13 3166.52 3228.14 3333.25 2872.91 3299.07 2674.47 3402.65 2624.57 3078.29 3377.67 2981.64 2836.71 2749.36 4133.51 3874.86 3608.63 2950.08 3242.54 3070.29 3968.49 3669.24 1360.75 2886.37 2323.09 4038.45 2428.05 4329.43 3235.54 3490.35 4332.76 3292.79 1794.57 2839.44 2954.21 2000.13 1107.45 2828.69 4143.44 2269.61 2755.36 2352.71 2535.64 2473.26 2100.18 2738.3 2994.2 2711.79 3148.28 3303 3174.76 3134.09 3164.84 3331.28 3305.74 3306.48 3136.26 Tolfenpyrad 429.54 538.42 749.05 437.3 1017.06 4101.22 813.45 558.25 3293.21 753.24 504.9 588.56 964.94 404.34 573.13 651.39 364.54 319.1 320.88 731.17 478.26 431.62 341.22 781.39 550.36 503.26 579.34 340.35 503.27 2259.18 554.01 645.35 850.44 502.71 547 1135.98 750.5 3067.96 576.64 492.64 565.94 640.86 588.94 523.33 1304.93 473.7 956.8 366.73 1218.78 2214.87 1325.74 2433.93 394.46 602.2 1086.1 1534.39 701.85 813.07 308.79 1896.18 626.88 616.44 823.82 767.08 498.92 1789.68 4166.18 672.95 540.86 788.63 518.62 720.71 571.83 798.24 329.31 2147.23 1849.42 1973.26 1675.53 1877.53 1326.25 2062.32 2099.88 1912.63 1706.86 1640.32 2014.59 1730.01 1567.62 1974.43 902.89 1700.65 1158.02 1778.0 1684.81 2442.13 1970.99 1887.69 1933.81 1996.66 1126.3 1535.9 1426.19 1585.39 1656.61 1764.24 1596.95 1582.08 1344.29 Pazufloxacin 3286.56 3147.46 3741.42 3681.49 2360.89 4019.15 1675.86 1535.51 4766.21 2219.68 1415.52 2712.81 2789.27 4025.82 3057.43 1750.53 3938.97 2839.34 1792.54 4896.96 2537.16 1409.5 1253.01 3604.68 2863.17 3889.63 3478.79 1890.61 2527.97 3657.81 5861.28 3375.16 2763.88 2671.47 2965.97 2586.53 2519.24 3033.26 2822.08 1899.08 2740.55 2887.55 4426.47 5414.91 3266.94 3749.47 3487.92 1350.18 1855.91 4830.2 1812.04 4258.34 2914.96 1599.29 1808.55 3539.23 4059.53 4858.62 2392.2 3501.84 2821.48 2218.13 4614.51 3377.1 5975.47 3536.85 1395.04 4775.17 5269.2 2695.35 7024.69 5683.29 3377.15 4124.72 4413.64 3588.03 3586.22 3782.72 3928.1 3556.92 3384.33 3525.64 3767.83 3784.71 Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio- 390.61 12707.2 3840.65 4767.13 5766.34 5461.65 4925.4 1095.5 512.92 8418.24 1271.54 2847.48 6531.86 2642.75 4158.05 3049 5989.48 3330.4 4456.68 1258.75 1048.77 4326.42 6231.21 5364.23 2954.81 2301 3954.19 1553.58 3949.06 548.78 1240.91 3478.73 3566.79 8164.05 6045.68 2892.98 2077.53 2562.33 4022.48 5284.56 350.45 517.51 5084.15 2973.56 956.99 2336.06 1568.32 5150.16 2636.74 1482.51 1417.31 12481.1 5544.4 4868.34 2967.56 8550.9 3893.27 3992.78 2835.35 455.87 5192.12 10858.74 3037.91 4188.43 2928.08 4188.31 2701.13 3857.29 2200.34 2030.58 2223.74 10667.79 553.02 7936.28 3303.32 5557.28 5677.2 5635.32 5633.09 5138.65 5475.69 5321.39 5489.28 5614.5 N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine 10436.27 2123.23 614.76 2627.77 30453.03 11497.91 5082.33 19856.15 18471.71 10653.08 6662.1 12922.37 10180.87 4333.13 5257.89 20099.83 4921.24 14224.87 18998.93 10560.24 15808.98 6293.3 6314.05 2086.43 13868.72 5172.8 4978.18 5361.59 15592.73 17801.51 13994.46 34626.5 9630.21 8283.26 6539.18 12565.62 11063.18 4533.85 5880.92 1762.95 12635.4 22871.18 6379.33 4505.92 16236.74 14516.16 10805.53 11158 22461.11 21836.76 20539.81 8277.94 6092.39 7488.47 11720.1 5310.56 3237.36 991.59 11911.67 7479.84 3735.77 4986.57 8614.23 7399.24 6105.95 12965.4 8477.28 6458.26 6483.75 11785.59 8949.58 11023.27 7729.56 8355.29 6072.6 10999.75 10659.96 10894.25 10664.53 10639.56 10884.93 10639.3 10655.64 10895.44 Pebulate 3311.15 2220.19 4188.16 4179.13 1697.03 3579.58 3654.21 3648.93 4068.82 2931.55 4168.16 3280.68 2350.03 4039.85 3282.18 2693.07 3484.48 1809.14 2527.65 5013.12 5895.68 5305.02 3256.57 3792.05 4703.52 2246.44 3463.62 3702.72 2074.88 5877.5 4562.75 2542.4 3208 4775.87 4596.13 3256.53 3830.04 4540.1 4976.51 3677.92 3761.93 3339.46 3792.48 4474.24 3834.66 1766 3660.61 2286.48 2960.98 723.29 3588.16 3342.42 3450.88 2166.43 4106.1 1583.46 4120.67 4070.86 3290.01 4443.85 4105.5 3836.95 3883.27 4608.38 3018.29 2917.92 3750.86 2706.19 2896.83 3423.45 3637.55 2514.8 4091.05 3414.18 4088.13 3368.97 3312.56 3299.77 3253.26 3267.67 3253.47 3315.29 3316.75 3252.87 C-12 NBD-dihydro-Ceramide 5028 6685.3 3671.68 15350.25 14168.73 15641.36 77155.42 4140.12 3598.03 3881.32 3076.69 4214.43 38249.7 5578.47 12658.68 11116.76 13135.52 16097.46 16260.48 17666.12 5821.57 11157.16 9572.37 2436.61 3612.41 6728.9 11598.69 3264.25 16816.97 6476.21 16816.47 13254.93 11408.56 41593.49 4095.93 5948.33 5325.66 8637.72 4264.75 7041.16 12312.21 10587.87 4878.84 5966.9 7599.96 185986.78 7554 4897.13 7562.18 30580.08 7377.47 7450.1 4992.71 9576.43 6524.3 6201.62 5141.03 4396.16 4836.32 4466.2 4647.37 15461.71 4669.82 4842.65 4320.06 5889.11 10491.36 5005.5 3895.57 3766.16 5191.67 5637.37 4549.12 25825.57 104552.84 4204.07 5768.72 4051.25 3970.97 4137.72 4837.36 3989.18 3410.09 3381.83 3523.45 3306.52 3403.24 3750.76 3754.75 3712.21 2974.35 3360.46 3589.77 3520.74 3445.4 3353.78 3228.94 3838.35 3458.1 3499.2 16004.08 16876.61 17491.47 16877.57 17607.74 17293.08 16229.14 16380.85 19383.85 Oleyl alcohol 1572.37 2277.39 896.98 1892.52 2684.4 2312.93 1565.62 4222.72 3845.12 3361.6 1349.99 2553.35 2355.25 5332.84 630.26 2258.17 5420.7 1108.01 1987.93 1963.79 3073.65 1311.49 1898.64 1506.92 1730.08 1554.46 1475.96 762.54 606.98 2009.08 384.81 1300.71 1180.24 2433.57 7144.29 4270.27 3759.71 3054.36 3487.11 2343.99 2571.47 2475.43 3810.32 1664.68 1833.22 2663.54 8101.41 4369.8 2385.48 2483.51 2758.35 2116.34 2427.65 2265.6 2192.13 3187.99 2244.16 2053.06 1915.37 3041.37 2942.65 2598.94 2316.59 2989.42 1995.35 2099.73 2927.07 2328.41 2885.58 2357.32 1952.28 2039.99 2299.84 2140.46 2072.06 3320.26 3524.05 3509.79 3424.27 3382.41 3599.36 3514.6 3428.13 3348.01 Sclerotiorin 51416.95 46964.92 61499.41 46276.28 56521.8 26067.38 24878.45 48995.29 55657.09 44589.98 7165.61 25948.76 38543.44 41463.6 40787.27 33998.85 31397.19 41383.41 48664.51 33331.61 34498.57 17577.71 27640.51 49613.91 61020.48 55825.3 56630.89 51928.79 60512.28 35834.77 39175.82 45472.29 25964.12 56483.42 41523.01 63703.54 44151.5 13583.38 38253.11 32827.71 26803.32 34100.24 43881.65 34850.54 44470.12 26692.4 52566.18 43994.51 23619 30282.17 27183.53 33092.81 38824.38 26202.91 22608.48 41035.24 38700.44 33151.87 37027.46 17477.75 31231.09 34030.71 36109.4 33264.56 43759.1 39135.98 29198.25 52049.31 43501.78 50181.84 35436.12 33510.18 15894.08 23681.17 34966.7 37830.35 38242.58 37526.47 37529.34 37580.9 36195.81 37527.78 37524.79 37835.46 Tyr-Gly-Gly 12509.88 8216.53 9439.24 10391.37 4380.64 6113.04 7174.87 8120.9 12133.36 12000.49 9512.93 11321.98 11603.02 11805.62 6538.12 11145.9 9300.64 9342.51 15438.94 5670.05 10266.04 9364.03 12177.75 12054.49 12407.01 11918.64 12570.23 14988.23 6248 5394.24 2754.59 17460.3 8186.24 21093.81 11735.83 6646.61 8854.04 10988.5 10304.92 9222.53 4534.67 14387.01 11735.58 9102.4 8477.4 13545.13 6267.16 16573.01 8551.11 12943.05 9261.38 10676.4 11939.03 10894.28 14314.02 10657.41 9499.67 7688.31 7162.39 6056.87 11712.59 11686.66 8299.11 11425.17 5130.54 8659.16 5972.75 12505.63 8704.76 12504.05 8159.48 14675.51 12348.27 12206.7 9742.09 10522.05 10341.67 9880.07 10057.61 9911.62 9039.25 10301.42 9915.06 10298.77 2-Isopropylmalic acid 5607.94 2074.66 13907.92 12155.19 3155.2 2032.21 1078.81 7341.76 1262.32 679.02 7916.78 2141.17 2219.28 9060.15 1536.92 2597.58 12854.21 2634.32 1102.02 1041.98 7719.38 3478.63 3084.39 10184.54 1954.35 1528.49 2827.15 7335.87 1019.52 1292.75 3512.36 1483.15 3993.33 7257.24 6218.35 2033.34 3807.49 972.73 16637.77 3185.58 1467.12 1674.01 4077.14 16181.98 2382.4 15178.48 1217.66 565.03 3078.96 642.49 12260.23 8233.86 7020.71 8002.45 10832.4 1254.02 9617.69 3404.19 1168.35 1130.34 7357.13 7326.02 10405.85 2349.66 5879.3 4711.69 2402.68 2984.27 4899.04 3847.79 2482.3 1242.53 12191.36 7965.04 16354.55 3680.91 3695.29 3051.43 3517.63 3691.86 3665.5 3517.49 3512.16 3683.98 8-Amino-7-oxononanoic acid 16658.81 12873.97 6030.13 8768.89 21281.04 21357.26 2790.4 17867.78 791.72 7928.46 10386.79 15549.19 38607.44 11259.89 17403.1 12804.47 9736.05 42783.11 35958.47 69672.1 12692.05 10567.18 9293.64 10044.69 18160.35 13420.52 10785.25 14148.65 29120.28 9594.76 19332.79 33443.08 10620.79 16328.32 11095.63 24698.06 16852.6 12815.01 11832.13 7778.49 38717.57 27137.29 10462.83 11481.36 53582.27 17182.7 23675.34 16358.16 12345.34 24230.87 17375.4 17763.41 13051.9 26978.12 12242.35 14139.27 6292.52 4185.63 13701.06 6260.17 7737.78 5673.79 12216.87 8333.76 5750.29 19170.23 20071.11 10878.65 11669 14597.59 14085.66 11104.85 11419.25 5762.43 11706.1 17960.42 17544.49 17670.14 17674.54 17430.48 17574.43 17419.78 17669.49 16985.09 MET-enkephalin 1161.91 1869.23 2742.07 2644.54 4229.89 2918.75 3507.92 2110.84 951.1 4087.08 5169.69 2763.15 2843.97 3421.99 1741.28 3626.86 5592.4 2676.44 2938.12 1938.32 1556.96 2100.64 2272.27 2652.59 848 1886.13 2123.81 3126.05 1150.2 1604.24 2405.18 10016.77 2094.62 2701.17 3675.4 2911.06 2902.37 1618.31 2150.16 2831.39 3089.26 5482.04 2778.04 2416.42 2694.59 2947.15 1392.94 5035.96 10530.72 9194.16 694.38 1122.79 1870.63 4602.21 3913.72 1557.49 1710.45 1094.42 3484.83 1831 2050.69 3294.78 2571.95 2746.22 3948.57 5473.26 4098.23 6239.09 3863.63 1844.52 1305.07 2522.26 5049.71 3576.07 5240.47 3184.35 3232.38 3150.85 2926.36 2568.39 3180.81 3216.66 3003.69 3184.59 alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol 2447.32 1669.01 2237.42 2631.7 2936.65 3261.42 2181.09 758.32 550.78 2603.87 1050.86 3270.21 2247.13 2189.05 1154.4 3030.12 2382.95 2114.86 2845.62 2704.34 865.1 1953.44 2115.14 2239.07 1698.94 2453.43 2407.55 1560.27 2047.63 2354.86 1934.81 2001.21 3110.34 2434.01 2484.39 2430.33 2682.64 3186.95 3863.73 3592.34 2801.3 2242.24 2556.71 2675.98 2612.7 2782.09 2560.39 2044.54 2727.49 2626.99 2314.54 2847.09 3317.96 2948.24 858.98 1741.08 6712.58 2273.53 2249.31 3158.27 2593.89 1915.97 1461.45 2116.42 2430.55 2373.43 2104.85 1136.54 1403.26 2177.33 2031.36 3058.13 2673.56 2841.32 2670.88 2184.46 2135.22 2273.05 2274.04 2373.2 2183.7 2238.8 2273.14 2265.69 1-(4-Fluorophenyl)piperazine dihydrochloride 4077.08 9936.03 9404.82 9941.46 8519.35 12524.6 17726.42 6745.01 9503.14 7839.61 8897.25 7233.9 8911.28 8994.24 7351.55 12503.9 8529.06 6253.85 13376.88 11336.26 7018.14 7834.84 6675.89 9742.63 6435.11 7470.85 8179.44 13633.2 8162.16 6815.71 7505.86 12380.07 5687.39 9259.02 10449.74 5575.14 6468.58 8002.8 7963.4 9179.5 8405.13 11198.33 12398.42 8869.2 10571.55 10722.08 9903.82 12797.24 10279.53 14392.53 6062.85 8637.67 11719.23 15137.82 5167.23 6958.75 7904.39 5922.84 8714.31 5683.61 6800.5 6210.06 6179.26 12530.04 9724.48 7398.27 7356.45 6877 7499.33 7555.38 6786.6 8236.84 12078.54 15116.46 10852.94 10317.2 10346.37 10343.51 10417.43 10691.96 10908.91 10661.86 9367.54 10288.24 Desmethyldoxepin 3878.34 829.06 12486.84 499.45 6105.44 6343.04 4973.16 3342.44 2705.1 4338.55 3362.53 2167.87 4513.44 3871.75 5619.32 9295.44 27212.39 3262.05 7639.23 3599.09 3702.18 3724.63 1628.25 3525.68 588.48 1201.01 4153.51 1219.97 5232.77 2653.5 677.5 430.34 10734.34 483.13 4232.26 757.67 2234.22 2401.26 1759.26 1506.7 2003.65 4725.59 489.7 5855.93 726.2 4797.31 4893.54 7502.62 664.61 763.18 6574.89 3446.83 3700.59 21087.95 3132.12 4507.17 43484.14 1053.13 3932.26 6638.2 1790.68 5914.64 624.14 2088.9 793.27 1012.94 2337.33 5205.3 2291.31 511.07 1750.93 3942.06 811.53 1752.76 4071.85 5020.48 4967.51 5060.06 4964.77 5059.64 5475.6 4930.29 5057.57 4817.06 10-Methylundecanoic acid 2744.9 2354.16 1195.84 1148.98 1738.23 3893.73 1697.01 4281.26 7885.63 2916.07 2592.15 3604.97 2459.83 2960.06 3341.71 3742.84 1972.96 3133.44 3909.44 1678 3012.1 2768.77 2410.83 3082.55 4043.05 3122.94 5339.14 3669.69 3734.8 3016.48 3658.55 4473.63 1961.67 2547.02 2159.91 3638.47 4091.26 3485.03 2950.92 2936.88 6004.22 5582.2 3258.56 2657.75 3823.39 1407.78 3828.4 3498.38 2731.48 4169.47 3864.69 1450.16 2950.22 2623.37 2588.78 2100.4 673.04 1015.42 3714.57 943.32 3003.94 1187.01 1563.32 2602.6 2649.27 6014.61 4148.33 2641.14 2895.02 3659.76 3923.73 2001.11 3492.86 2320.55 2910.62 3556.68 3690.18 3769.03 3374.83 3311.35 3608.36 3633.7 3380.55 1754.12 D-Myo-inositol-2,4,5-triphosphate 10952.83 5613.73 20177.46 18861.92 18106.44 34555.62 31045.35 8774.17 4994.42 16277.32 19727.08 19624.91 36479.27 30038.05 6656.5 17941.53 19864.1 5721.16 40388.52 2889.3 13221.67 40036.78 29530.78 26536.78 12810.05 10656.98 27891.1 14595.86 21119.04 23686.58 9756.44 50350.07 7904.63 37172.87 31451.25 16710.28 8737.77 17311.66 35336.56 25603.4 45383.88 27900.49 32791.52 35641.53 15830.93 29739.41 10262 19415.59 16043.89 20263.49 13475.41 6089.8 31191.91 35992.57 26790.09 7486.05 26908.22 24979.13 7976.87 30789.95 18524.59 30296.26 3191.37 20682.64 8880.04 15917.03 5479.37 21525.25 17383.98 7715.96 776.27 38999.8 28734.61 37624.74 26889.44 25153.43 25318.16 24937.45 25122.43 25004.09 25160.85 24900.39 24640.14 24894.3 Hexanolamino PAF C-16 4388.2 8786.58 11161.08 4660.72 3050.95 1187.27 909.39 9815.7 4192.31 1617.09 4346.18 1906.63 1671.82 2581.12 3921.81 3420.78 1561.16 4076.76 1903.93 1287.55 7383.66 1501.12 1069.92 10780 5140.08 2965.31 5595.91 3692.63 4992.51 1373.32 1160.2 4877.24 2943.38 10116.74 10197.79 2635.9 10570.22 3121.53 10311.18 3087.21 1766.14 2500.62 4001.5 2306.78 3170.57 2849.47 2305.83 4501.24 2993.37 2467.59 5377.1 4618.83 3990.44 1915.63 1894.92 1498.85 806.5 2835.13 5676.12 1626.53 1919.06 4102.6 6332.29 11316.76 3855.72 2063.95 3690.59 2693.26 893.57 3720.32 3746.31 5571.16 10107.89 13064.14 8286 3378.73 3748.25 3361.29 3879.82 3644.7 3854.65 3538.42 3588.13 1518.94 Diethyl sebacate 3857.9 2653.9 990.69 4359.04 12119.15 12329.22 14020.01 1761.57 1382.18 1760.19 3419.04 2110.12 2965.14 3756.91 3756.61 3221.83 2534.38 3547.87 2567.7 5631.7 1839.06 2138.36 1443.76 4496.54 2945.24 3094.14 2495.98 2193.65 4397.55 3715.09 3830.89 6723.98 1542.55 2562.6 2581.7 2678.33 1436.86 3244.11 1411.6 2632.23 6735.81 6624.62 2883.79 1878.25 3373.66 4059.33 4251.09 3047.69 3361.17 4948.82 4187.58 3031.46 3925.3 3588.17 5930.36 4437.77 1531.63 2670.91 2396.06 3020.3 1879.53 2382.76 3722.08 2347.8 2372.34 4750.86 4290.81 2736.18 3452.21 3506.68 3232.4 2106.92 1886.63 3702.1 3933.08 4439.03 4339.8 4440.84 4509.92 3994.5 4242.17 4846.9 4378.28 4337.36 Calpeptin 170.9 178.87 821.21 31212.78 66344.53 39682.15 54294.21 625.23 156.7 135.86 255.41 848.59 13666.05 702.92 795.3 5391.97 859.81 193.44 298.06 623.55 360.36 1099.86 529.47 174.34 1465.26 157.34 221.39 168.86 1010.11 169.12 561.6 1327.37 373.78 2406.99 843.95 1488.59 326.01 608.08 698.57 595.9 16694.73 1439.56 726.97 810.7 202.97 27039.65 347.67 707.16 241.12 2247.4 2059.48 365.23 948.64 2839.76 6914.36 171.41 1614.99 134.05 378.08 919.01 845.5 1376.45 560.52 394.83 140.45 1260.99 735.06 741.96 173.12 202.77 574.18 165.75 450.22 587.76 1804.87 5290.85 5295.97 5292.14 4673.78 5154.54 5229.05 5156.29 5146.41 5294.52 Ethyl linoleate 1647.17 525.27 2153.75 880.99 6623.45 22655.07 5896.61 2322.38 2519.96 935.39 616.96 19420.14 427.29 754.57 527.88 4492.52 594.56 686.29 1945.41 10699.69 4609.6 794.27 463.54 2076.69 2513.27 5682.03 2161.66 1903.91 5058.86 760.18 6338.94 9847.9 608.56 2421.66 2110.66 3373.97 1457.73 7451.59 1032.96 2402.03 7459.79 9646.16 2295.23 901.99 4670.34 4715.76 3180.97 2104.52 846.12 4156.6 2522.73 809.17 846.81 1493.84 1720.23 1324.1 1518.41 1366.13 1247.51 1336.57 1108.1 1157.03 2390.66 425.6 999.53 5605.09 2932.13 2557.88 1364.73 8780.35 2030.28 2139.65 1515.24 2139.9 936.12 2856.53 2864.09 2750.35 2859.51 2563.53 2850.73 2990.55 2745.64 2865.23 Secalciferol 4230.54 11280.82 4906.98 3889.8 11272.11 21516.79 5604.94 3727.11 8759.26 2778.63 3834.26 648.96 4339.75 3353.05 5874.69 2755.62 2724.13 436.2 3613.13 499.35 3776.68 5887.04 3779.86 3047.29 4176.56 11079.89 4090.26 2996.26 3698.99 2459.49 5822.58 5554.41 4800.88 7390.12 3627.02 3810.71 2428.35 12566.51 4937.37 1596.84 3395.31 8486.09 4935.72 1912.03 3962.1 3205.31 5526.9 5003.26 2124.39 6479.64 2753.57 6121.49 4014.38 3209.04 2068.66 11241.26 5607.88 2810.46 2544.52 1772.01 3779.95 3413.28 13499.21 4425.18 1303.66 2846.81 14731.08 9074.75 2246.35 3987.75 3586.42 4551.92 3174.8 7862.71 2226.01 5733.24 5444.81 5774.77 5487.86 5578.28 5804.96 5261.04 5238.04 6181.46 Napelline 307.46 5503.25 781.05 790.27 8294.87 1725.23 266.52 4529.41 5277.47 2779.32 863.87 1058.77 1132.51 538.2 1341.8 284.67 522.8 1929.71 633.71 2417.43 939.67 775.65 375.01 705.9 911.28 9603.46 6509.19 1464.12 1328.76 927.15 1045.46 1978.49 539.95 1225.69 2668.25 1423.53 1274.14 334.47 814.61 4132.88 2588.88 1026.65 6134.51 267.7 3364.26 1824.98 1009.4 1194.82 993.19 1244.37 278.56 355.55 2460.6 3845.13 1862.32 390.13 890.14 4087.45 3917.72 761.74 878.89 1018.61 4694.26 4861.46 4693.37 1279.85 715.74 923.78 1073.68 3533.41 6454.04 409.72 2534.85 4750.2 316.09 2526.48 2604.43 2528.47 2589.62 2199.98 2563.89 2629.34 2613.72 2581.69 H-Lys-Tyr-Lys-OH Acetate salt 2873.24 17966.43 8099.2 2800.89 2135.77 33228.89 23795.2 1796.95 2153.9 2809.47 4647.4 5395.67 398.5 819.85 1670.62 717.44 1640.83 4924.42 13104 2539.25 1966.25 10396.81 10870.3 1586.69 729.65 3265.87 811.92 577.34 1877.76 809.25 1763.28 7234.56 583.09 9338.33 7067.8 1677.1 2322.69 12643.31 2001.13 6771.59 5584.77 5534.89 9030.96 1962.34 2223.36 7738.35 9522.13 4289.13 4407.91 7326.11 5742.12 8459.32 1261.56 3854.62 4204.39 13201.78 7026.82 5020.19 4177.46 13454.08 3095.75 9124.84 8956.15 14959.34 8268.69 1163.88 7100.55 2910.87 2666.46 4679.91 13709.14 21917.24 4512.36 13249.62 12537.36 6232.01 6569.37 6582.72 5624.48 6994.77 6628.46 7298.54 6998.09 7110.87 Norpropoxyphene 2880.27 3703.29 4220.1 6927.7 5485.2 17063.91 11661.81 4379.02 4652.96 3574.88 4245.91 4706.35 2306.59 2074.21 6778.05 6850.96 5210.53 7577.56 12677.9 1385.88 4998.42 3651.55 3541 5447.97 5187.92 4426.26 7344.14 8007.55 8778.78 683.73 5998.78 11718.33 3414.25 6523.7 5355.01 2600.74 3166.23 4231.66 4577.02 5744.82 2014.75 10954.79 6095.09 3488.37 8542.92 7923.7 3964.83 6368.39 4976.17 8394.44 4151.52 2580.7 5934.46 6921.5 4369.47 2927.33 3266.22 3089.13 2522.35 669.85 4133.14 3992.76 1932.04 5651.56 7239.18 4218.02 3685.69 4954.73 5173.04 2673.65 6338.91 5084.73 4697.56 6528.18 7648.8 6427 5792.77 5555.16 5548.72 5888.36 5580.1 5789.47 5745.32 5395.41 Jervine 7097.38 15657.37 15623.98 16959.72 22806.15 113464.65 14470.65 15124.11 24589.98 14755.6 36096.51 33482.23 68079.07 39983.54 33054.02 41663.54 44284.06 40764.53 61713.08 66723.32 52205.93 62648.05 40224.79 13510.34 9008.32 15352.24 14389.74 20336.4 23337.1 10650.29 28633.81 58253.13 38953.25 40620.74 21117.54 21008.27 14673.82 45435.77 22251.6 31511.1 43024.17 43468.44 29204.21 28225.35 36876.26 12197.71 29550.55 36253.56 10800.79 64887.68 26004.58 26391.82 37216.77 118929.28 28420.59 44824.23 41834.88 46597.08 21497.62 24328.91 31808.04 23101.13 37488.62 41155.35 21306.92 47467.89 61410.56 33387.59 22300.99 16923.38 29156.51 22943.44 19821.91 74253.53 61873.52 31339.08 39997.5 38776.31 39235.63 38837.11 39927.71 40703.53 39500.08 40565.18 Campesterol 3632.59 4430.01 1067.15 553.64 6902.13 3141.03 1609.53 1940.64 3904.9 1850.03 1328.51 3992.17 5957.85 1898.92 10913.61 5554.71 4528.25 7600.27 3374.72 8593.07 1101.1 2333.91 1330.02 1985.91 3414.02 735.4 1952.03 1989.35 3133.08 1013.2 5126.47 4728.64 700.46 2080.67 1001.92 9900.28 751.46 1589.9 1753.16 1291.31 14300.55 13812.96 999.85 2004.91 7552.68 3144.31 3031.31 1226.11 2047.11 4421.56 1124.89 811.33 1541.43 1670.97 7185.7 3908.6 1789.36 2390.05 835.92 2075.71 2503.38 1421.51 3484.2 1943.34 1725.54 10204.34 5582.14 2935.77 3938.89 5360.29 895.04 2950.08 1432.37 2959.4 1717.27 5007.5 4760.93 3682.25 4705.75 4736.98 4783.44 5454.27 4598.23 4912.56 [4-Hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate 298.21 268.55 372.26 800.88 1114.39 739.77 1331.87 440.29 429.33 442.26 451.15 412.87 584.3 449.43 217.51 359.66 363.49 442.62 554.95 519.2 652.65 406.99 400.73 271.92 327.73 437.72 415.56 334.29 753.85 563.45 2635.08 890.89 499.01 122.26 111.97 134.02 346.25 291.11 102.56 136.8 3252.15 400.23 277.69 216.72 979.02 531.7 873.59 352.6 114.75 2882.42 564.83 304.56 164.78 245.32 249.88 739.57 256.67 132.48 181.49 983.45 462.58 401.75 441.26 167.1 331.07 404.59 433.11 444.3 475.91 1543.44 547.36 663.73 500.9 399.97 207.15 1238.33 2176.88 2376.62 2225.1 2267.52 2355.12 2470.04 2350.04 2358.06 13-HODE 16130.47 9170.94 11264.42 28856.2 74103.98 96355.92 110261.17 10995.92 10854.52 10394.86 2645.96 6145.24 4753.23 12974.78 2914.25 7810.88 3118.3 2273.99 1533.14 3050.41 10662.64 22340.14 18466.4 1853.89 11894.23 8399.07 13015.1 18582.97 20618.16 1766.84 2644.68 6146.32 736.52 20578.11 13481.32 12826.27 12387.5 20296.04 18782.98 8345.85 35837.68 1636.67 7887.33 15580 7835.01 31208.96 7845.21 10055.64 7840.14 8531.97 14796.72 14537.84 11303.18 46347.25 20227.48 11596.54 3245.97 2851.11 9257.39 17759.76 9773.42 17150.58 14209.96 12041.36 9211.79 19484.2 15783.88 23914.1 11636.76 7991.05 7479.7 10755.74 13100.16 20146.09 17975.17 15669.87 15082.53 7461.55 14519.21 15742.46 17041.38 13473.33 15729.99 14589.35 5-Nonadecyl-1,3-benzenediol 7199.28 589.96 13384.67 4813.73 826.41 2622.91 3526.06 4155.19 2577.88 4654.82 3960.2 1442.61 1137.09 2901.06 3423.92 1370.26 2441.68 8207 2332.44 786.91 2925.23 1852.16 2187.88 1679.07 3563.22 4123.63 8013.9 6155.75 2807 2360.49 6458.06 5169.17 3745.92 5514.07 5468.96 4738.36 5418.86 9051.7 8651.12 6741.8 3195.92 8132.39 1763.83 5540.38 1580.91 2306.65 2292.77 3776.86 3685.34 2785.65 3951.51 1210.81 6319.21 3709.08 3309.32 2596.58 6075.28 6493.62 5698.09 6799.67 6659.53 5823.92 5324.11 4411.7 6461.77 4632.64 2216.94 8394.74 5133.05 4167 6229.05 9537.96 4824.71 2048.04 5052.56 4809.74 4930.49 4836.17 4835.66 4779.92 4600.76 4736.03 4835.77 4737.48 Lenticin 36182.62 33884.2 4986.36 36859.62 33192.7 34891.16 1628.29 28860.22 26690.15 35298.7 38788.15 9975.96 7421.32 29687.45 33492.53 28986.51 42651.95 16507.37 41753.04 28354.85 25607.39 53547.5 5737.03 30576.81 29996.73 29386.17 27768.82 26714.13 7617 36445.02 32511.44 26871.57 29029.9 26986.55 35309.96 6201.26 21377.04 39079.19 27710.28 29700.63 29647.93 25592.68 4600.23 27761.97 26293.35 26267.7 27939.66 21634.6 23594.85 6990.58 28982.12 24984.96 24987.01 6233.86 28048.61 30059.4 26473.98 29951.59 28345.93 47437.98 33682.53 28775.19 41528.85 28931.76 21760.12 17792.35 32316.45 27059.29 25918.37 24497.12 26098.04 6405.36 32579.12 36500.08 49727.51 17724.81 15195.81 14397.46 14353.32 17736.11 17489.7 16949.82 17733.8 17098.23 5-Iodo-2'-deoxycytidine 3420.87 1489.98 1479.46 1003.35 2975.28 1293.05 1665.48 3731 1610.85 779.21 388.35 2413.37 1355.82 2035.07 468.97 1468.61 1336.54 711.1 1959.51 579.32 2552.66 1402.3 1258.96 1344.76 4196.82 1439.79 1707.14 2849.24 3601.17 4442.87 4868.27 2437.75 1620.06 1262.67 440.2 4388.86 2869.11 1669.93 1597.75 2047.68 6526.52 4142.39 1400.23 952.99 3028.07 1159.22 2800.68 1717.78 3258.55 2144.07 3464.15 1468.09 688.69 1337.5 3225.69 1410.56 1245.44 1409.44 1884.59 1427.89 560.02 1362.84 471.39 1163.47 1362.34 2317.07 465.89 3263.49 3080.09 2949.56 1070.97 1893.09 2452.16 673.21 473.49 2528.25 2454.35 2459.18 2412.96 2458.35 2411.05 2408.48 2408.58 2456.45 cis-ACCP 3627.34 4919.26 6229.31 4648.39 5392.67 15542.2 4792.3 5076.89 4311.52 5370.51 4717.33 4474.11 7571.44 4072.58 4624.32 4629.8 4890.55 5274.65 4424.67 4939.14 3979.34 13188.93 6182.89 4088.68 4793.33 3627.32 2839.6 2717.85 4623.82 1951.89 3721.27 2964.02 4201.03 8286.93 4820.91 3158.72 3186.7 10241.9 5325.84 3555.24 7186.36 5184.38 5353.5 9318.91 6345.64 5790.68 3781.97 4039.62 3857.61 4480.65 8581.74 7203.51 5178.1 6554.56 5799.4 7491.56 7004.79 4065.69 4323.44 7964.46 3988.51 5145.95 5951.29 5013.59 2771.5 6479.4 5031.61 4281.41 4487.33 4164.31 6360.82 4481.72 3873.38 6601.12 6601.11 5940.38 6037.63 5947.67 5856.48 6000.42 5937.75 6000.29 5901.04 6012.53 N-Methyldioctylamine 462.76 1113.69 655.28 707.27 1076.52 1787.83 1485.63 1188.62 1200.79 1051.44 1039.33 1688.48 1743.38 1477.67 443.45 1845.72 1185.45 530.98 1773.95 2773.94 1430.18 798.9 1268.64 1169.39 758.67 773.5 850.64 914.31 989.25 1262.49 1432.65 2607.96 813.31 1748.02 1401.46 817.61 933.65 1141.54 707.02 830.99 1899.87 1907.69 1399.74 767.37 1580.56 1489.78 1080.95 1773.87 1164.26 2705.52 1405.92 1215.14 1048.91 1229.55 641.85 489.92 925.07 543.43 901.28 901.8 491.19 1068.53 571.3 1067.57 953.6 1264.3 1285.81 1155.11 1134.62 702.47 1236.69 1229.44 942.42 1353.3 1447.09 1439.4 1366.53 1328.08 1391.22 1550.23 1444.71 1444.03 1416.96 1387.37 Saracatinib 2613.35 10236.42 2890.04 4618.96 2537.36 11032.93 2853.6 1747.35 2785.38 3305.07 1127.46 880.46 804.19 849.1 7708.15 344.2 759.74 2004.22 1875.04 2624.08 1331.41 1129.76 1205.04 2388.89 1927.44 2240.73 1601.86 799.44 5075.39 1877.67 5353.85 1415.63 3932.2 1809.53 5296.87 4840.12 3210.66 3472.12 1414.38 1864.54 1929.66 1007.6 655.97 743.32 3259.41 1184.72 1112.09 3174.72 1161.09 2533.25 476.77 7132.47 2326.86 3131.15 450.47 8680.51 1957.47 2159.88 1893.04 9611.48 2938.08 2610.17 4718.42 3380.54 3463.76 575.83 7213.3 1774.49 1908.07 4326.19 2435.24 1721.77 968.11 6346.71 2543.54 4200.93 4151.72 3379.39 3850.29 4290.99 3846.84 4104.46 3522.99 4197.87 Pro-Pro-Gly 26379.4 27987.64 15479.37 17872.98 29160.73 17262.41 15211.41 29726.2 30781.97 16144.65 16407.74 19440.67 13648.67 17907.95 30257.76 22736.27 16676.75 30480.99 25454.42 47292.89 27836.83 6189.56 11593.48 18886.17 25342.03 27847.81 22023.17 18067.99 45090.01 11373.73 36447.56 34091.06 23315.95 21916.62 19074.77 33913.24 26970.12 22968.55 15144.24 17699.43 26574.46 30729.41 26396.95 15987.65 29008.46 16106.48 37577.59 31101.63 17437.22 26616.11 21200.15 23128.29 22227.86 21866.01 17793.64 27704.59 14388.52 15502.36 20394.64 8898.45 12241.19 12040.79 29023.74 18967.36 24220.76 24613.51 37913.95 14766.6 20122.96 24527.96 22484.28 19562.97 18688.05 22297.38 13178.34 21784.78 22086.04 21811.29 22072.63 22033.2 22070.45 21941.62 22070.68 22076.6 Ciprofloxacin 8104.88 7622.89 1439.85 2096.01 5466.9 12589.32 4621.33 8690.38 9231.58 3607.44 2211.85 3642.13 2160.07 1615.92 13019.21 2869.67 3432.33 4883.78 5926.17 11540.91 7935.06 7091.72 2427.89 2026.53 5267.25 9707.39 4051.4 3871.37 7708.58 3253.22 7378.7 3688.64 7101.85 2336.57 2245.61 5126.83 6985.2 7845.75 3487.93 1609.93 4278.68 11295.58 4693.29 2924.14 8239.74 2492.5 9257.34 5302.89 3237.01 3625.15 8579.58 8591.37 3481.06 1736.3 5333.47 7028.17 2080.39 5471 5604.08 3930 4207.22 2338.94 7397.78 6251.98 5756.63 6399.09 9893.14 1738.91 3473.72 6993.51 7502.32 4789.46 2569.36 3050.4 1905.97 5985.35 5510.12 5621.4 7081.09 5624.38 6164.13 5627.87 5891.47 4869.17 N,N-Diallyl-5-methoxytryptamine 28817.96 49974.82 22583.63 36439.8 7645.6 21525.61 17005.19 35287.96 32234.83 27935.24 32163.09 23206.09 1858.42 24427.87 48998.34 29176.88 57366.64 48293.86 28215.5 49186.61 33498.48 22000.6 17937.22 27402.78 28342.2 48754.59 30319.89 23810.64 29359.65 54922.16 37614.95 28299.64 64573.59 21893.22 33181.94 24526.45 51395.97 56760.42 26037.48 51671.86 41419.91 24156.74 33397.82 40202.43 25174.68 18606.48 39972.91 45583.71 5044.11 26139.02 24079.29 35138.66 25643.81 28024.83 29562.97 41855.32 42463.77 42737.66 59559.1 57135.3 39732.42 26022.61 40827.38 53958.31 53539.75 37643.6 35024.04 28927.92 32223.42 45254.61 59537.31 42674.75 45203.99 46756.15 40715.88 10741.0 7518.87 11904.69 6307.28 7700.23 8424.2 7089.85 8985.25 10396.61 11889.67 6770.93 10300.23 9410.47 7972.75 9181.27 6362.71 9794.91 9417.37 6261.24 9308.64 11510.11 9552.88 8480.76 8822.71 9071.01 38467.1 38724.65 39494.03 39792.85 37367.55 37513.05 37542.81 37396.67 37364.78 Butein 3959.66 5404.58 4426.92 4085.61 8169.86 5857.61 5905.72 5004.05 4378.8 5568.7 5439.35 6378.63 6188.43 5853.2 5527.34 4412.84 4703.83 4592.66 4645.19 3651.74 2615.05 6101.6 4961.27 6188.71 5124.74 3520.75 5218.27 4851.67 6170.51 2211.73 2648.1 5607.68 5685.37 4820.23 4849.8 5069.58 5146.22 4843.74 5377.15 5417.78 3537.85 5111.56 5514.62 5080.34 3957.41 4521.3 5322.24 6591.48 5427.58 3109.69 3788.15 6151.99 5781.02 6111.78 4747.66 5429.69 3190.66 4016.77 4490.38 3940.92 6079.26 5162.24 4680.62 5030.53 4786.61 5670.89 3974.25 4906.64 5221.22 4291.16 3205.88 5921.4 4130.99 6228.74 5848.09 5415.1 5425.48 5336.97 5360.2 5489.62 5336.34 5427.52 5324.77 5429.04 (R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 13694.34 7445.27 2037.86 1728.1 53836.05 14617.6 7396.12 41494.07 29706.18 636.97 1502.7 9330.83 2991.09 3412.99 5445.71 4197.51 2791.94 6971.06 2310.42 19588.74 43511.23 4802.97 3025.41 1173.62 62424 50150.93 1685.63 724.81 4442.71 2232.19 55351.83 4605.46 42541.85 3346.69 1221.31 28783.98 35181.87 13163.79 1394.3 4312.97 15646 35997.71 4457.78 502.3 75224.53 5478.41 33296.39 26390.15 2964.94 698.74 19981.18 11228.07 4142.98 3412.36 17861.39 18668.8 2870.54 2827.51 28175.67 6520.02 652.73 1526.23 24488.02 1249.17 4175.3 24111.12 73714.94 1189.13 3306.43 28295.82 25731.94 2159.49 3081.51 903.57 5212.7 12964.32 12408.52 12538.95 12163.58 8207.55 12081.31 12127.6 12731.13 12035.03 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride 423.65 1359.51 507.4 839.32 4212.62 2431.8 1378.45 898.15 447.8 1578.33 935.98 1006.12 1493.22 1555.42 612.15 1101.06 3428.65 607.27 1427.93 1508.32 1446.91 605.42 706.04 643.91 1017.32 836.52 2019.33 1768.07 1549.6 2589.5 1268.91 2975.52 2045.12 870.56 1032.85 1405.13 902.57 1906.26 2307.54 1580.24 2003.29 967.63 1407.14 888.03 1778.82 472.73 1439.12 1496.37 2013.64 3985.36 1291.66 1500.71 2154.05 1368.99 548.01 1111.72 974.87 1439.17 1581.57 1398.66 1133.17 1480.95 924.22 1022.67 942.05 811.93 2042.31 2396.5 806.14 1193.13 2018.72 2412.68 1384.6 669.2 2501.31 1924.6 1727.84 1789.85 1767.97 1932.13 2006.36 1755.55 1901.38 1905.61 N-Acetyl-S-geranylgeranyl-L-cysteine 294685.74 453130.72 375917.74 399610.5 289742.28 430093.5 330618.21 504578.14 348441.64 364251.97 395973.86 304815.04 297765.12 375779.5 414164.49 339084.08 403905.1 457533.11 424866.65 387287.67 409726.74 305780 303997.24 322229.89 294200.76 391191.73 322690.04 378668.16 356078.08 8414.99 368008.25 463748.69 314187.6 370446.69 328826.72 380670.76 383897.95 421851.43 400337.63 372558.38 362299.72 361671.87 403016.01 355047.8 343214.49 348365.14 357607.7 361231.94 144591.45 248203.7 219772.56 252269.45 276513.69 281608.11 342135.27 335390.54 312172.93 380019.31 352747.08 331896.47 377328.43 386464.2 364534.57 379793.24 431906.63 390439.53 453805.92 414296.88 425532.66 330446.56 382354.81 365034.09 276777.62 332820.95 243580.96 10143.39 15586.55 17195.14 13953.58 11779.45 9149.85 4348.69 17489.6 16409.74 4050.11 4635.05 15482.18 2678.38 8902.37 4199.88 22340.07 9010.76 2733.77 13261.65 2801.93 8217.12 10228.36 26344.19 287350.15 311512.9 317615.66 314261.4 310351.3 320294.31 313370.42 311859.94 317429.53 D-Erythrose 4-phosphate 6195.92 4526.7 8107.41 13871.9 8059.84 9125.9 15747.44 5598.98 5715.84 8205.58 6740.62 9204.55 14998.72 12273.54 6007.34 9498.96 11176.16 6488.07 11519.02 6568.33 6340.04 14024.96 12330.21 12973 6434.49 6080.04 9682.97 7659.67 8232.21 14221.45 5147.25 21230.58 5383.31 12408.84 13826 5476.35 6380.18 6679.93 11101.5 8423.48 13064.53 10955.52 13069.38 13913.55 7562.1 17095.94 4870.96 8107.28 7008.24 8870.97 6704.91 4330.31 11512.83 13002.37 12219.8 6620.81 15733.35 15638.88 6075.04 9091.93 9051.25 11667.76 6514.41 14507.55 6930.92 8716.06 4272.06 9474.17 8036.42 4305.43 3518.21 16173.07 7555.69 11752.78 15755.78 10743.56 10750.69 10645.92 10900.6 10478.91 10749.39 10663.82 10641.95 10741.13 6-[(3Z,6Z,9Z)-1-hydroxypentadeca-3,6,9-trienyl]oxan-2-one 4838.28 5843.72 4745.84 7446.13 3215.43 6332.81 5031.11 5681.91 2525.69 5410.71 3661.92 2558.85 6281.45 2240.27 1534.39 4143.6 3300.33 627.65 1586.17 4543.76 4896.19 5490.08 4437.55 5259.74 5036.31 4535.22 4622.07 2762.91 9265.46 3778.69 3753.98 6419.67 3209.92 5684.12 4319.08 3671.65 4712.68 5267.27 5034.71 2490.77 1877.47 12191.6 4764.63 1157.7 6412.65 7802.52 4605.08 2179.25 5171.85 3968.1 7881.08 6836.83 4957.89 5427 3668.35 4432.35 2650.92 3128.36 3424.37 1001.65 3568.87 6022.76 6997.65 4871.92 1425.36 7319.42 3319.26 3402.91 2254.42 3929.88 2085.31 4911.98 3751.05 5989.17 3915.86 5099.54 5235.94 5071.47 5337.25 5328.26 5712.5 5295.81 5109.07 4984.94 N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide 25375.51 44542.53 43135.74 22243.79 27887.09 11776.67 15023.96 24655.58 25245.69 36301.64 3147.02 22075.3 34434.62 28232.25 20362.05 16834.63 19124.64 23955.38 34599.06 10591.17 32932.12 7860.3 19701.43 35255.04 37286.19 25776.59 35854.12 40169.38 34590.65 35985.93 24186.62 27351.52 9184.18 44999.66 17087.04 56477.7 24302.1 7319.97 40186 50246.54 14213.71 23744.27 20368.86 22873.82 22809.96 17963.26 20778.07 31993.9 25816.35 14544.79 15933.17 22563.59 31276.06 8177.84 41143.06 24999.23 30902.74 20818.07 14286.78 11732.99 33677.48 46168.39 14502.34 13516.6 12068.17 29054.83 26260.43 49968.4 57960.12 24933.44 13668.93 17754.32 8501.61 17992.99 14187.25 22465.82 22276.97 21597.41 21794.1 21837.22 21351.14 22310.47 23174.71 22285.8 Oxeladin 4665.71 7289.53 2790.07 4125.71 6207.87 10995.43 4686.99 4582.25 5303.19 4560.65 3610.23 2443.06 4132.22 2883.22 7007.26 1475.48 3655.37 4164.33 4166.14 8892.57 2402.09 7358.93 4080.31 3929.38 831.97 7701.16 486.99 1938.38 7318.5 3230.55 7837.89 6551.63 4699.99 6337.24 4080.47 2970.09 4603.89 8445.91 2821.5 2468.67 3114.23 5064.72 4138.8 3653.63 6505.56 2523.07 5832.71 4428.67 2120.41 5960.09 2025.89 5788.61 4271.73 4645.34 2066.62 7440.56 2751.53 1950.92 4794.24 4552.35 2730.8 3455.17 5349.66 4028.28 3380.41 5155.48 8369.58 2504.8 3282.4 6415.9 4818.79 4501.99 3166.37 4454.32 4721.95 4998.95 4637.74 5361.33 4947.69 4960.64 4895.46 4999.9 4831.95 5002.21 Desogestrel 85570.67 102832.35 104036.52 58036.72 80262.33 63761.67 23003.15 98399.62 85905.37 129603.18 64723.44 54071.57 29992.95 88719.33 86780.44 54527.53 74412.99 87990.89 89300.4 84721.51 74470.38 67570.08 75589.02 99522.04 92416.93 118743.55 97896 98713.89 77591.1 146625.63 79321.57 66602.39 109196.89 87237.81 97237.9 96109.67 119574.8 108823.4 109986.1 128146.54 16628.36 70734.67 108456.11 118885.29 81526.68 51373.92 93254.2 90879.49 38802.87 50108.32 74483.55 130597.33 89463.13 66610.25 63983.03 94472.09 90500.98 108035.1 94977.56 69995.36 107502.87 81274.61 91225.51 103425.77 97107.33 61368.7 71432.4 96747.94 93940.82 98908.51 103544.78 114593.48 55602.63 59486.89 5530.54 62864.17 66532.11 66080.2 66090.24 66826.45 66832.61 66713.88 69089.44 66093.11 Estazolam 8839.5 19463.62 12485.2 22128.22 19184.95 20654.44 27625.52 15968.28 7109.8 21598.81 11875.54 24049.42 33756.05 24029.58 19516.55 15540.75 14477.75 11320.2 35995.27 12977.68 10174.9 19875.99 19485.27 29730.84 19039.65 2534.8 28658.38 17391.03 26994.25 10180.11 599.08 21516.65 16526.19 21573.74 24742.97 20232.92 10485.23 8344.6 23201.57 20378.49 2072.27 15572.36 26484.16 18253.84 12817.83 18176.85 13496.6 35675.66 19019.05 19324.94 9254.05 19133.63 23427.13 25416.25 10667.57 18512.71 8269.85 11529.68 12686.63 6867.29 28315.6 32869.18 10464.75 14100.83 12739.55 24736.61 5700.78 22160.28 17041.27 10520.56 4513.53 20021.4 9764.73 24145.96 18568.18 17569.07 17577.57 17389.06 18313.66 17286.83 17373.92 17573.73 16643.89 17285.57 S-Bioallethrin 2039.33 1685.89 2597.14 2995.1 1351.16 1861.81 2540.4 2016.1 5313.67 2512.15 4728.86 4108.44 6143.73 1024.11 585.22 2187.7 1251.78 1386.91 5695.87 1802.84 3093.68 1829.32 3997.21 4111.06 2162.35 2635.04 1271.31 4919.91 2327.3 1843.63 1807.53 4495.12 1960.63 2970.73 2822.57 2628.49 2451.21 1029.81 3074.45 1333.77 2530.81 5749.31 2286.59 2147.69 4139.21 5955.31 2373.63 4519.92 2395.69 3038.18 2271.07 4226.49 1940.35 3262.26 1772.21 852.18 3305.88 2743.55 1561.56 1815.27 2305.55 1785.22 4253.41 3553.25 1706.86 2898.99 2989.35 1741.25 1075.26 1833.42 1803.52 4049.75 607.6 2674.73 4289.55 3171.51 2903.94 2923.16 3135.46 3014.2 3008.73 2734.64 3579.28 2783.96 Deoxyuridine-5'-diphosphate 2348.69 1673.28 10056.52 29009.85 12541.35 15215.91 35363.61 12714.74 11797.98 15056.19 9000.66 10713.02 30831.73 19853.51 3443.57 12965.96 10176.61 11411.19 25326.27 9961.68 16643.04 38028.47 26470.49 18238.04 5341.06 11058.15 10788.56 9004.41 9871.48 39760.6 11392.41 52668.24 8302.62 24225.11 29691.65 8188.55 10849.39 5159.32 22635.05 10306.69 24402.24 17909.22 27530.95 33823.62 16663.15 39415.87 10101.35 14264.26 11227.8 15063.24 11291.49 7399.43 26663.22 32947.68 23937.61 9497 36370.86 36851.89 10676.45 21733.99 11410.91 16942.67 9418.74 31780.01 8566.36 8391.44 5479.05 10610.87 11929.76 12405.85 7499.74 30341.62 15280.66 31042.99 36740.58 20966.71 20600.91 21011.56 20471.38 20129.54 20961.48 20472.61 20394.18 20768.7 Guanfacine 1164.29 2111.43 2471.22 14826.9 2376.1 4591.55 2240.98 4159.72 7833.29 1552.24 2641.46 2059.34 544.89 2762.67 6119.27 693 1800.86 1013.65 2363.13 2619.87 1714.9 1299.23 579.52 2558.45 2873.11 1603.37 3039.48 1637.65 1127.51 1962.82 2599.24 7063.95 1237.38 5821.69 7534.06 1633.21 2536.27 3756.06 2153.03 2887.94 1661.55 1902.95 2610.74 3987.79 1423.78 3239.49 1033.66 2806.81 2251.87 5249.62 2523.95 2241.83 5193.1 13158.64 797.96 2430.21 4786.34 6330.59 1350.7 3055.96 3615.11 3685.06 2584.82 5481.93 1941.63 3979.8 1628.22 5778.69 2619.54 1771.56 498.16 1086.94 3380.48 4642.33 6605.06 2674.22 2671.41 2615.66 2889.73 2644.37 2809.37 2573.93 2681.78 2879.76 Gluconolactone 3494.76 809.29 2631.99 926.11 4418.81 7287.02 851.84 692.5 1010.27 1059.78 789.5 3519.18 3510.52 2476.47 888.19 2055.51 2038.23 1238.47 2138.17 1172.92 1466.41 15643.47 2092.54 1915.04 829.36 647.43 1335.35 1301.42 657.18 6604.43 858.07 1905.91 760.45 761.02 686.08 863.82 2075.72 5403.18 2897.21 2184.45 2161.12 3588.84 1361.93 6969.9 2969.86 2722.4 1162.12 804.78 3285.68 1434.96 3038.37 538.78 863.06 2751.65 4768.96 2698.14 16331.02 6000.19 3007.82 1920.29 9142.94 2271.05 1769.99 3370 2808.02 1450.07 1089.06 4156.37 2674 1743.25 746.53 1624.92 3612.1 1080.71 3318.38 1798.71 1731.55 1945.43 1682.04 2043.49 1776.08 1931.71 2028.27 1952.29 Calcipotriol 2282.68 3560.4 641.05 1221.11 1742.46 1327.64 3146.96 2597.72 3976.73 698.04 3976.39 4681.82 2585.31 810.6 5939.46 1719.53 716.53 2000.45 1514.75 3096.83 3262.95 620.61 1371.79 1336.6 6292.12 3115.59 2350.24 412.27 918.3 1343.08 2671.11 3511.18 3216.97 1597.73 5641.95 3853.33 6676.26 5829.26 5478.99 4859.67 3878.86 2955.75 1608.54 4344.57 3358.89 3989.08 3377.31 5302.67 3963.2 1301.31 1467.13 4384.77 2840.93 5377.56 4680.2 4095.44 3122.24 4886.88 1907.67 5181.5 3624.91 4611.56 4013.42 1912.65 3585.94 2885.89 6834.05 3718.9 1973.26 6485.49 6088.1 2991.8 2270.48 3251.64 3746.41 4074.79 4227.38 4326.08 3837.53 4039.43 4212.45 4093.6 4220.27 4020.83 Cauloside C 15810.36 10859.93 3048.55 6075.17 21079.84 16453.11 28565.55 17627.92 23494.26 17068.9 5234.29 4040.47 6378.74 954.01 5413.22 3181.11 451.62 1507.95 8132.49 591.8 16590.27 6697.55 4325.71 10443.8 16567.66 7126.24 2433.98 10458.3 2375.84 1305.85 5227.32 40380.2 2776.54 16583.96 12721.63 28145.31 17675.68 15233.22 11372.09 12751.82 29620.75 21246.87 10127.88 9645.72 22876.04 10531.72 31716.85 14848.06 13179.3 24546.71 13142.69 15804.75 9582.74 11334.43 12361.92 13201.85 9316.98 7371.06 12859.96 13524.99 9778.14 10278.76 12507.81 11765.4 7537.58 16039.98 19633.59 9269.77 11722.9 15948.78 14717.29 16808.94 11011.59 13570.74 14502.79 17486.78 17366.5 17200.37 17341.37 17487.37 17336.74 17336.86 17486.51 17402.42 Pantoic acid 15570.8 26998.63 22211.43 22218.3 23910.36 27003.69 25523.19 19379.64 7126.34 30564.13 14719.84 27847.38 29688.66 24633.29 30630.78 26154.89 26088.44 20954.95 34454.18 8453.05 1929.53 20754.15 22461.01 28549.92 24703.82 21404.44 26656.58 20554.31 26768.17 12130.61 8587.65 27708.3 25103.99 21571.54 24244.71 26490.66 18913.95 19604.62 21550.27 29386.96 6584.04 19127.12 26929.03 20765.48 19587.11 12468.39 21639.82 31254.86 19428.97 25236.91 12719.72 22220.39 26223.88 23849.02 22657.32 30279 27095.46 27432.48 21933.82 22886.29 27301.36 29974.81 15793.44 21413.53 21938.65 28276.73 7081.04 29205.62 22552.72 17354.19 14139.97 22626.56 16742.38 27785.71 19460.29 7436.43 5983.54 11621.23 7166.32 6023.17 4176.96 6645.07 8065.0 7008.36 14049.41 10071.02 14109.26 6594.04 8229.11 12307.68 16718.65 19484.64 16471.09 22149.36 10724.76 10645.64 22442.99 7329.17 27200.74 23090.48 22312.71 22323.79 22222.12 22230.44 21881.9 22295.32 22221.61 22278.96 22490.77 Glucose isomerase from streptomyces rubiginosus 1779.02 10442.7 1570.94 2110.75 6517.17 3072.77 3736.96 3275.18 1417.04 8206.32 3804.97 10448.45 5439.57 3380.08 4013.15 2947.85 7243.38 2965.62 4748.47 1712.68 495.65 1922.07 5493.7 6158.65 3607.31 2024.97 4521.87 2752.3 5493.04 1276.93 1853.59 4534.09 2792.11 6267.24 3534.56 2312.89 1507.49 2903.09 2791.52 3744.18 903.76 1255.05 5986.41 1833.38 3225.48 1489.94 5474.96 6399.23 3504.19 4107.58 1797.82 15510.98 2786.33 3254.21 1526.47 4739.66 997.42 2277.84 726.43 2487.48 6449.68 11463.74 3010.03 1556.08 1922.04 6887.31 2154.93 4667.19 1560.47 836.41 903.05 11772.48 1537.6 3681.81 1809.19 3575.53 3830.41 3806.57 3701.05 3633.52 4158.74 3666.7 3666 3675.03 Angiotensin I/II (5-8) 1130.96 413.92 459.04 4674.86 799.89 2010.22 2666.1 731.64 1474.35 470.67 2338.32 15365.46 445.3 1221.13 1473.8 641.42 1863.6 436.07 1003.7 1333.77 543.18 1350.76 1960.95 1892.59 459.41 6163 1599.14 276.89 1577.48 1616.71 287.31 867.12 971.41 280.6 423.51 981.38 524.48 304.41 2074.81 2171 1218.46 850.77 338.45 2212.88 691.17 303.29 824.06 3199.57 444.99 942.59 1234.6 2760.23 2669.9 2905.26 405.48 1100.53 2021.05 737.5 639.12 54992.8 3227.79 1690.08 1251.2 3085.69 1840.44 425.4 1659.7 1818.95 873.61 332.02 2704.81 366.47 640.8 606.3 596.06 1476.6 1731.89 1894.39 1894.95 1858.39 2135.88 1847.64 1574.44 1806.31 1,4-Dibenzylpiperazine 25782.31 26017.43 22319.5 46983.27 69427.72 53114.07 108265.31 34481.82 11658.07 33309.05 18731.91 21306.95 38562.35 22707.53 15791.57 16537.08 14227.22 12731.07 10479.8 1767.04 27675.53 53087.16 29776.71 31570.17 38956.78 18571.49 11866.57 21037.87 51056.51 8829.07 18648.37 29864.72 13926.5 27966.58 22008.91 20467.3 27471.28 37592.12 40710.02 17209.08 45309.12 77915.43 25607.03 14589.11 34166.54 50222.86 20586.71 18408.32 21548.6 17199.64 41759.58 35184.91 24948.46 21926.56 36112.75 20390.43 12198.05 16620.21 20841.1 21021.85 19256.06 34960.76 25842.87 20589.99 11340.15 42550.01 11642.77 13336.75 14254.77 16198.61 7306.19 18600.87 18391.42 26219.35 16612.44 31968.54 31965.08 31542.43 31973.76 33249.75 31968.93 31679.47 31847.81 31660.91 2-Butoxyethanol 3637.79 2625.76 3261.42 3112.78 4556.03 3138.64 4374.04 4158.53 2406.21 4693.12 3207.53 3558.77 4948.7 4071.27 3307.2 4362.45 3454.62 727.04 4134.51 540.1 651.49 2634.19 8734.18 8946.27 3809.19 2718.46 3151.16 5695.7 1302.16 497.07 1575.26 5375.23 2243.06 5429.98 3911.85 3398.25 3352.02 1530.72 3468.67 3171.43 1012.79 4629.26 3405.55 3979.12 1639.51 10678.16 2041.83 3872.73 4245.23 5776.39 4171.35 3556.41 5094.7 4434.17 2109.16 2370.52 2388.44 2375.89 1871.61 699.6 2887.55 3245.69 2270.31 3452.14 3064.22 3813.35 675.86 3648.71 3151.85 2955.12 2136.29 2209.17 3043.69 3940.12 3889.51 3601.28 3506.55 3009.21 3567.66 3553.19 3702.52 3544.12 3496.63 3612.83 Archangelicin 3247.75 4496.25 5883.85 1217.99 3424.78 490.07 495.79 3858.64 2391.69 4183.81 3401.45 3365.77 2078.35 2748.78 3264.14 1380.71 762.9 2403.9 2628.4 1646.47 2269.66 1614.38 2100.5 4254.49 3045.91 5393.12 5511.08 3837.29 1638.69 2137.89 3160.35 2702.99 1197.76 4936.93 5489.56 4165.5 1361.46 3278.86 4772.53 6136.37 2286.65 2933.52 1432.94 1631.35 6429.86 1447.17 1814.23 1160.47 928.01 4653.07 2850.74 1955.65 834.02 1876.45 3649.17 2907.01 4428.07 2666.27 874.88 1491.29 4332.45 2594.45 2300.9 4885.45 3641.32 4230.32 5153.18 2981.09 2580.49 868.8 1226.49 1379.47 945.03 2643.32 3148.84 6434.14 8937.22 6832.37 6710.18 6472.2 6457.54 5964.72 6539.02 6081.89 6381.23 6098.95 5915.71 7136.85 6761.4 6618.86 5795.09 6801.31 6269.42 5730.97 6127.13 6601.77 6477.02 6449.89 6677.62 6349.21 2944.64 2749.69 3064.86 3142.94 3071.74 3122.46 3397.03 2893.59 3158.95 Prenylamine 1940.99 1796.39 7379.22 3741.73 5898.14 5538.37 8125.15 11076.37 9088.88 2325.03 5138.75 4888.21 2359.97 3124.09 8517.41 4418.02 5315.23 1737.56 6303.37 12220.24 9186.08 4286.89 752.73 1498.71 2238.34 3914.17 4110.04 2230.07 14104.28 2159.62 2457.61 12018.78 8501.64 2571.91 7515.5 10936.04 6464.28 4178.12 3588.82 6629.01 5758.23 13544.22 7150.86 4777.54 9955.38 7071.35 9574.37 4899.3 3501.93 10044.33 8990.32 11297.24 7959.37 9990.25 2651.06 10000.3 4303.88 5858.34 9620.17 1506.43 4976.67 3349.45 8377.46 11144.73 5712.64 9407.21 10472.1 5916.99 6802.41 6966.01 8050.76 2525.4 6847.31 9535.82 8851 9477.69 11480.99 9823.0 9325.73 8738.81 8859.82 8496.89 7781.28 8895.09 8683.34 7465.36 8046.87 9059.98 7200.51 7853.75 7101.9 8326.78 7134.75 7838.37 8516.69 7409.82 8051.59 7960.82 8255.8 7295.6 6309.35 6448.34 5541.93 6523.23 6389.79 6107.77 6469.19 5952.51 6443.98 Pyrethrosin 24895.3 23921.44 31765.36 29392.57 10317.06 10923.9 19298.42 24230.32 16279.38 30232 29146.94 24817.29 29319.35 35201.63 18694.41 24340.44 26428.35 17442.31 30929.19 13608.58 14043.49 16199.47 28225.8 30623.67 23943.72 28918.36 34173.96 37925.63 23273.96 7830.16 14434.48 38459.85 12945.76 36434.46 29769.59 24481.17 20630.99 25111.92 37081.2 33625.91 2634.79 28188.08 27054.11 28592.62 19195.94 27440.46 15152.05 26476.25 23837.69 28056.59 19447.08 25350.33 30423.47 30885.37 16932.05 23198.76 22943.53 22660.26 16726.42 16370.43 27650.84 30465.01 19544.76 26529.3 18071.54 27225.65 4666.09 34923.59 28926.33 18488.26 14542.64 30564.05 21585.8 30243.83 31565.13 23665.82 23511.45 23569.02 24064.19 23498.46 23868.63 23500 23389.62 23596.28 Dolastatin 16 6411.79 9137.69 602.8 4236.27 1448.8 290.46 294.41 10156.96 817.69 977.79 5323.3 1685.54 4988.12 416.32 7672.53 871.59 6517.06 6978.4 1643.49 1253.07 2103.7 879.22 1855.87 3696.51 5957.44 966.38 854.17 3139.19 1187.03 917.13 4647.85 3662.46 383.73 22248.67 25402.39 8936.1 20576.7 8162.89 5911.03 13341.23 1874.2 10245.78 13711.32 26799.93 5286.42 7023.52 17685.47 8749.48 2909.74 10315.19 7096.39 16590.38 12129.6 7938.17 18669.96 26790.61 37203.88 26556.85 10423.11 6493.05 17869.04 6845.1 46104.6 13623.87 15216.3 18309.52 14242.31 8410.57 8968.71 17187.46 10258.34 2064.1 21306.66 17766.02 13106.25 4200.35 4306.28 4164.47 3789.91 5365.04 5531.61 5498.21 6540.23 4090.63 6236.52 5322.6 2133.01 6314.74 3302.44 6923.94 4492.0 14916.35 14847.97 14938.46 12797.47 14552.1 14684.35 13803.62 14122.49 14897.52 Budesonide 1183.78 30322.87 4985.98 4835.57 23267.74 35485.11 13062.25 13233.27 22010.09 5015.81 2184.7 847.27 3727.22 738.18 2325.6 3430.78 3301.45 2484.11 2578.18 2852.23 3154.21 1224.76 3667.54 1663.43 11663.87 24704.84 2718.21 1514.69 9391.12 2487.68 28127.46 6429.96 2038.75 13558.49 8407.49 9171.74 16789.4 30005.62 7642.19 3564.06 10437.54 30267.1 4853.32 7361.67 24822.64 12798.62 10123.17 5607.34 9503.57 10778.71 7220.32 18059.75 6315.88 12497.42 12631.34 25119.74 6039.17 4465.85 8121.57 18961.78 3922.1 7145.74 18052.13 6077.65 3166.43 22619.83 27489.23 6349.76 5674.79 22459.41 28575 16000.62 5929.79 9566.7 6017.44 13035.96 13260.41 13037.07 13169.58 13324.08 13699.01 13346.29 13339.84 13261.9 Escitalopram oxalate 597616.78 563485.98 841259.91 571479.26 960108.96 499292.41 1196679.08 783795.22 924520.94 855273.16 1120460.78 1178008.34 985817.75 989455.26 713346.61 1806847.06 933089.54 456988.16 1605691.46 790374.71 796112.04 456424.92 974644.62 1266114.63 798184.32 789113.6 1195188.41 1337265 610914.12 811996.38 640887.22 1981065.36 423016.67 1365552.75 1195792.12 607733.85 712530.84 457485.39 1020406.62 1005994.74 614258.88 991559.46 1445240.15 780082.04 602609.71 792375.96 623625.94 1235544.08 1057153.5 1938098.47 602412.22 594729.05 1109205.75 1351853.49 559889.92 580174.27 715226.94 534576.15 669893.74 247400.23 835587.29 846034.92 486299.7 1259456.27 895626.74 752530.59 920005.74 1148206.13 1112867.76 647337.14 642511.05 1171712.65 1101162.75 1269526.82 1236599.06 916546.94 914578.17 912799.88 909708.56 913852.65 914632.79 909623.33 914713.95 906155.67 1-Kestose 39551.69 29552.72 60709.87 63029.53 38661.14 795.58 69548.9 51535.5 24990.87 16491.63 10078.83 25266.64 9789.2 14313.24 52057.65 33744.42 19101.17 75408.69 2913.26 28131.54 33689.48 2866.16 22526.54 19784.63 41882.91 11601.87 10157.09 30878.31 49492.05 28062.53 48408.82 27907.81 19204.08 30680.94 15260.99 28738.12 51970.57 14813.4 26070.21 44830.46 25198.3 27812.94 25382.94 9705.38 19198.8 63604.94 49515.18 28349.81 3469.88 9899.24 36352.37 45508.23 31412.35 59340.53 43825.36 34718.53 49601.76 33392.61 34975.21 24697.12 18916.96 56859.55 36071.16 51139.73 12055 65915.5 6810.14 14703.19 26331.99 54807.72 33252.83 12877.11 33323.63 57130.26 89733.85 32095.77 32032.51 31753.36 32150.88 31753.06 32161.99 30853.22 32152.05 31758.55 2-Methyl-4-phenylthiazole 395.17 6678.78 2194.91 3689.02 7134.37 3738.59 3671.41 4760.28 4693.08 4551.39 3426.44 1112.02 7391.51 3384.44 6698.46 2834.02 1567.53 797.13 12783.91 885.72 5038.42 2647.51 2374.16 3871.08 456.66 966.95 4307.06 2679.6 2634.44 3307.68 4412.91 4852.27 5000.17 441.35 1414.57 3310.01 463.34 480.38 420.92 2879.95 11123.16 1498.71 1032.21 2893.18 4909.52 3794.88 6986.93 43256.3 6124.21 8428.87 4164.95 1841.61 2854.72 3953.47 3952 1872.46 813.97 2305.82 518.1 1272.86 2370.41 2780.25 417.46 628.6 1499.29 5060.97 4448.87 1002.07 2149.45 3642.91 1468.81 3625.4 469.98 3283.22 4113.08 4541.06 4447.94 4547.84 4606.13 4618.63 4326.82 4443.35 4448.87 4452.66 3-Hydroxytetradecanoic acid 28337.55 26995.1 25426.08 49973.21 75103.88 88138.96 122708.35 34789.55 12774.81 31801.37 20653.58 22270.99 43567.17 22799.93 16977.08 16479.9 15844.89 14079.87 8498.76 2318.83 28464.45 54545.91 28533.47 31781.71 25665.96 18795.11 10568.88 19670.12 49201.34 10508.69 22608.64 29183.66 14809.77 28076.75 22130.87 21030.05 28582.36 39007.35 39849 16557.91 35172.94 77532.03 25913.85 15687.83 35766.9 55457.36 22476.11 14820.13 20168.48 18617.36 42995.29 36899.78 25788.42 21291.39 41592.74 20797.38 14484.52 16281.2 20881.47 22955.58 22020.07 34056.85 26695.53 18810.76 12449.09 44236.41 13498.96 15148.23 12419.6 16540.88 3368.61 18843.88 35335.64 25883.62 17547.21 10923.42 34358.46 23727.47 12736.54 9080.84 16169.34 15352.98 98136.94 46375.96 18042.33 14647.85 21369.88 23864.76 74285.37 8880.99 35716.91 16611.84 12864.26 12463.36 11910.26 27987.91 20821.69 22316.59 22996.88 9205.71 33752.55 33396.98 33559.59 33336.08 33557.07 33494.4 33557.67 33394.56 33390.82 (1Z,13S,14R,15E)-1-Anthracen-9-yl-14-hydroxy-13-(hydroxymethyl)nonacosa-1,15-dien-12-one 1590.7 1707.76 2328.76 4039.52 2870.94 1012.81 15386.07 1679.12 2469.29 2008.43 2730.67 1046.15 8077.07 3101.42 2699.65 4732.55 1907.46 1303.11 1131.58 1464.87 965.21 1864.92 2428.94 1302.86 936.41 1673.02 1432.24 2803.69 2588.33 468.26 1722.89 4249.2 2400.43 4974.1 616.15 676.66 892.98 1068.41 534.73 497.55 2562.11 1656.02 646.41 667.27 2457.58 24556.49 2690.17 1106.65 1131.81 1328.48 898.14 958.51 1239.54 1373.24 868.01 1097.41 1491.81 858.9 1950.02 501.16 810.87 2482.62 411.74 462.46 1080.69 790.33 852.28 428.69 1041.26 883.62 669.06 997.27 2830.04 3979.5 17816.9 8075.74 12896.0 8055.0 8209.53 7985.13 8539.36 7562.68 7621.01 7419.59 8185.6 7405.1 7465.17 7451.95 7532.1 7748.56 5464.31 6874.78 7198.94 7231.71 6879.44 6928.28 6957.46 6278.42 6497.35 6462.1 2219.35 2390.82 2384.52 2403.41 2097.28 2392.62 2455.92 2392.24 2002.82 Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone 3550.68 4438.11 1548.42 2369.51 5018.61 1180.33 8422.91 57860.24 24861.68 9943.59 1044.13 2830.82 24572 2723.98 11357.6 42046.83 5295.57 7711.34 3577.34 5817.9 49551.15 13565.43 29216.02 3355.03 32488.05 2493.72 828.02 3940.01 49653.44 24802.41 4546.62 5797.53 4167.17 29154.88 14077.29 48817.19 24374.22 3473.81 17434.57 6062.52 11761.85 24523.05 32359.72 5702.13 19690.07 14355.23 14305.28 23923.9 40877.42 45060.32 27787.17 20027.81 76950.96 21413.21 41616.16 3593.92 20992.93 7766.27 32614.56 4346.32 33166.1 27635.2 34996.02 39209.6 20879.34 20429.62 1016.19 10926.18 3013.3 36575.61 4350.9 9696.16 25665.15 11882.38 18730.18 4537.64 6206.73 4946.54 5921.03 5335.26 5663.4 5071.0 5024.78 4217.96 4469.2 4020.74 3984.07 3550.4 2811.69 3382.48 3923.28 3948.8 4092.41 3460.61 3908.82 3732.1 3983.66 3533.06 2967.81 3087.14 21063.3 20637.58 20735.9 20902.49 22139.71 21053.37 20608.33 20902.12 19247.68 Gentianose 2973.19 3707.56 819.42 3407.94 2798.44 1103.53 11249.92 1095.63 2115.84 790.55 2173.61 3716.27 452.59 4645.01 4219.54 3086.82 3064.7 4047.33 1104.21 1711.63 2631.61 2948.16 3602.8 1041.68 1009.23 1401.12 1746.08 1696.81 1129.13 3471.27 2863.81 1291.73 1909.03 2578.62 986.32 3540.59 4912.57 865.59 1895.92 3482.26 3080.79 2197.97 2052.02 2474.61 2090.08 5314.2 5864.48 3189.65 2741.47 2789.46 558.81 3758.39 1484.76 2117.49 3684.2 1587.1 6317.04 4565.26 3588.37 1386.57 4197.29 9557.25 3635.55 5848.68 3217.92 1768.28 524.09 3040.93 1831.27 6918.43 1662.1 2411.48 4344.81 6204.06 6054.76 3144.6 2281.33 3100.31 2997.34 3142.69 3145.47 2983.57 3056.77 3107.46 N-Arachidonoyl dopamine 1279.8 4173.62 2903.3 824.47 6335.66 891.58 3361.42 6870.82 8958.4 4118.63 682.82 2711.05 2218.45 1538.67 8975.88 5899.43 3572.93 5972.16 9028.91 9814.27 2849.87 1075.79 583.83 4273.15 6889.39 8487.51 3613.5 2782.67 2382.71 533.13 1757.31 3073.48 4332.78 2240.46 2073.99 5630.4 3562.55 1204.41 2694.68 4033.7 2207.66 2724.95 6391.41 1432.4 4106.64 2603.22 3828.38 7035.32 1615.6 3215.81 2873.99 2618.79 3789.23 4407.66 5516.51 663.9 429.49 4319.64 3351.56 769.11 2396.44 722.02 2843.38 3887.32 5282.27 5796.2 1093.05 1000.62 2226.24 6533.05 5138.91 3610.8 3426.15 7707.31 556.44 4220.81 3878.1 4082.92 4155.73 3986.43 4154.06 4230.75 4708.15 4214.69 N-(3-hydroxyphenyl)-Arachidonoyl amide 64588.07 65124.86 50274.76 51167.37 25998.99 31047.15 31625.45 49115.88 52457.1 63704.11 47591.6 38262.54 37946.05 62431.27 55087.93 42993.36 47789.54 53251.69 38009.72 53573.7 46819.41 52126.18 22324.16 55322.16 46870.51 62749.74 69052.84 60769.03 36233.44 59994.18 55748.47 51685.06 29282.83 51373.35 56714.65 51956.91 55901.74 71321.83 65257.92 73905.72 54440.39 57245.48 60822.17 73539.2 60049.59 50004.21 56089.7 51218.85 39694.16 52064.26 50349.29 51209.59 50270.89 51767.58 44132.37 60970.16 52254.34 67110.11 54644.51 72508.18 60325.24 65785.81 50686 42276.41 45850.89 55981.39 73971.04 67316.95 73574.39 54047.83 67193.5 67015.82 59718.29 56964.25 61703.06 36955.23 29142.55 37445.48 32389.78 36360.8 34941.55 35913.96 33799.42 33567.82 35058.26 29881.6 32816.21 36363.76 34100.11 33342.91 28273.43 35250.94 33143.21 32930.06 33000.28 33910.05 34835.67 34338.93 37160.34 32755.69 49478.14 49595.65 49218.59 49205.98 49482.23 49211.17 49479.21 49215.23 49377.57 (+)-alpha-Thujene 1674.48 1676.5 988.49 2542.55 10161.55 4387.82 2547.73 3791.45 3717.41 1448.17 1956.46 548.04 5899.32 413.54 634.52 2040.54 1410.22 1715.13 1234.25 2564.56 3117.34 1693.7 758.71 447.88 2367.79 1262.4 3020.57 991.54 1675.8 1347.42 1464.65 2575.77 1558.04 2597.53 1818.66 1283.37 1538.95 1747.44 876.32 2159.81 2401.33 3646.63 1864.38 1221.62 1947.99 3160.47 1495.52 674.88 1759.31 5079.98 601.77 1401.71 646.79 1967.21 3352.67 727.32 1938.38 389.55 1582.22 1347.21 503.01 1718.65 1988.76 750.29 1444.52 3241.54 1244.66 735.24 607.11 1834.3 2018.28 886.48 1802.68 1544.52 1591.38 2230.16 2303.47 2331.01 2359.04 2175.8 2328.9 2620.42 2268.31 2346.66 Uvaol 1108.75 9195.1 18018.28 31043.54 3894.77 46214.04 16771.22 4639.96 9275.45 20485.18 14709.9 13100.62 11405.05 17296.37 6947.02 14562.09 14801.17 6923.31 18459.5 9879.86 2982.41 22124.18 12416.37 14929.61 12454.51 9815.41 15310.77 33429.59 8538.26 17730.82 10183.7 15769.38 980.36 16646.06 26974.75 4913.76 8231.17 39355.09 29243.25 14878.59 5740.07 6182.05 19967.8 13726.91 7017.54 12286.7 5643.59 16499.1 13496.11 17968.69 2466.06 6897.1 16159.67 21441.11 4635.84 9330.26 12493.41 15457.67 8118.15 33630.58 12702.66 14981.67 7185.39 20276.87 14865.88 3370.23 11225.16 15366.16 14977.74 8820.55 9655.45 15584.86 15162.69 22085.26 17140.79 13777.35 14332.62 13953.47 13555.59 14367.32 14316.52 14280.83 14249.47 14277.26 15-Hydroxy Lubiprostone 12227.29 16422.88 9885.47 13917.43 14599.71 14996.55 8052.47 11698.76 10800.41 7417.04 9163.19 9518.13 29073.94 13288.87 36503 19128.59 14637.23 12424.02 15961.61 14357.29 13907.45 8144.68 5561.73 9559.3 17693.61 10593.98 8295.46 9056.97 38996.86 9494.17 44974.59 21070.51 8586.99 8623.41 17151.06 26888.95 15178.81 6583.98 4562.79 16373.84 6740.18 41816.13 14142.16 15461.11 66635.23 16112.15 14502.51 10221.09 8455.29 28390.72 10168.51 32138.18 12352.2 46423.97 39091 18489.81 19149.67 18486.54 16177.2 12600.37 13288.5 5486.52 21274.09 13278.28 17008.81 43677.38 49272.35 17684.33 32488.45 11056.09 19261.59 10071.56 18259.34 53066.2 13576.7 24410.55 24736.92 23319.36 24217.06 22594.17 25584.43 25731.56 25448.74 25722.35 Metrafenone 1240.48 647.41 5787.63 1067.87 1139.35 5575.94 1071.76 332.89 571.5 558.09 479.87 906.18 364.84 716.32 400.86 851.46 315.9 575.89 721.81 1010.68 749.86 3117 350 404.07 579.05 448.22 311.89 306.01 999.3 7749.22 494.77 950.11 648.46 1615.26 544.32 823.48 351.75 2679.93 634.95 333.53 657.98 1331.68 390.69 665.95 742.09 469.97 991.73 682.19 513.95 1960.22 743.65 615.08 381.55 439.66 586.52 629.19 3575.72 6501.95 360.48 547.08 438.52 933.84 316.83 407.53 341.13 332.13 447.13 383.19 1125.93 515.87 544.72 662.45 612.7 466.51 888.69 1182.44 1268.54 1172.33 1134.84 1191.03 1152.25 1122.5 1079.23 1193.49 Bropirimine 3911.82 3746.74 2354.32 3564.18 5426.5 463.71 6984.41 19561.85 18266.09 9036.39 12481.72 5060.43 2622.4 6676.85 27868.07 2936.18 554.92 26398.37 24535.47 11424.86 10224.32 5150.12 8350.4 14224.34 11268.51 2734.06 9194.9 8411.07 15546.11 2392.42 1945.44 6307.48 14705.72 7430.4 8055.9 7826.45 17071.81 7849.02 8076.99 24081.51 2877.09 11862.16 11423.79 4223.15 25107.89 6278.98 30545.48 9746.07 6126.08 12477.46 10314.62 8034.84 12790.85 12368.15 10638.47 5434.19 1975.28 11970.99 10593.01 1716.14 7295.99 1073.66 17229.35 18805.14 14574.46 11047.73 12958.09 2880.91 5635.35 19205.67 15365.1 7385.94 16375.78 23479.12 10517.48 11113.38 11780.07 11687.89 13272.17 11803.73 10821.69 10828.29 12102.44 10368.99 4-Methyl-5-thiazoleethanol 25316.55 25799.12 31708.2 29132.95 26570.54 18219.52 16007.56 16542.1 28587.53 25962.5 2978.24 15094.38 14066.3 22139.1 21203.75 13775.5 15829.13 18309.14 10269.33 16923.49 16217.48 9859.52 9742.26 28964.46 33700.99 26629.85 24632.21 31755.46 37426.18 21970.7 22097.51 28620.89 11152.12 29505.1 21082.05 36068.94 24403.42 10365.04 27803.1 26339.82 20944.63 17235.28 25071.11 22637.06 23949.95 23406.93 26664.38 24060.42 12805.8 19201.92 17547.29 20524.68 24681.65 17873.62 13973.69 24336.05 16897.58 20713.74 20955.77 14236.71 20670.52 24520.21 21470.78 16455.53 25584.14 25639.11 20236.14 35008.78 32017.12 32352.8 24332.03 22796.47 14679.82 18416.42 14113.75 20535.32 20724.24 20963.22 20510.27 21376.08 17258.19 20635.55 20823.38 21086.52 Guanidinosuccinic acid 1573.67 481.84 377.34 3398.78 4900.13 981.96 9361.62 1565.9 2426.04 1706.59 2447.55 2438.56 8820.08 2540.63 2089.79 2949.53 2091.33 1457.12 2230.4 816.27 1959.9 1383.39 2125.61 2179.22 2335.31 654.5 2274.24 1669.65 2011.94 1133.84 2193.85 845.49 363.82 3088.89 2478.62 2287.75 2045.08 1368.53 1885.38 2613.39 1863.22 2095.77 2620.09 1049.39 1927.58 14261.05 2164.99 2121.81 2585.74 5199.15 7095.81 3424.25 2883.21 4676.68 2160.59 2137.26 2722.72 2210.18 1154.65 3016 2770.77 2707.45 3642.89 4104.25 2339.91 3295.06 2632.52 2300.96 1974.48 1913.52 2358.5 1914.54 2039.47 2958.72 6534.95 3224.72 3295.55 3288.99 3253.67 3251.94 3254.09 3297.39 3354.98 3276.05 3-Methylcyclopentadecanone 5275.97 1903.23 5431.7 11748.23 54549.5 26788.81 33314.88 1520.67 2247.74 2595.01 1597.73 3539.19 7240.74 4236.2 3049.26 5454.43 5228.74 1727.51 3255.48 2087.02 2596.32 3020.35 3891.39 11432.11 1712.38 948.75 1414.83 1709 2237.54 1519.64 1075.28 3507.18 3707.91 3369.96 3636.35 2186.87 2437.07 2990.02 9177.35 2645.73 11210.68 3395.61 3123.37 4586.4 3214.76 5969.29 2410.26 3630.99 2794.04 4096.18 2430.83 3527.54 2944.81 4551.4 9586.72 3445.1 6367.05 2843.81 2479.68 4819.01 4174.68 4361.65 5173.49 3907.93 1755.84 3910.35 3799.45 3215.78 7452.29 1903.12 2303.19 2113.12 2428.71 4774.08 4482.21 8562.86 8625.28 8354.98 8568.87 8386.8 9349.08 8429.75 8386.15 8921.26 Methyl cis-9-tetradecenoate 315.46 151.25 369.49 5165.93 10253.8 11360.97 11218.13 246.06 177.44 202.86 181.07 332.67 3234.58 343.96 293.73 771.81 267.26 157.38 271.4 554.9 247.81 337.27 216.91 361.98 239.86 118.09 313.6 266.85 223.3 315.05 151.85 548.89 363.34 709.22 282.12 203.94 287.52 497.7 382.31 203.41 3976.25 943.93 140.91 194.79 174.37 3531.65 289.03 380.29 323.57 692.5 423.87 373.59 382.22 533.16 1159.79 308.39 134.31 265.49 289.78 674.35 101.29 415.96 434.94 438.78 144.22 833.7 158.21 169.06 103.86 102.06 432.29 295.22 288.42 376.78 855.67 1700.84 1719.13 1720.82 1644.8 1693.86 1611.23 2061.26 1703.68 1614.18 S-Hydroprene 2660.11 3039.88 1752.75 2379.61 1503.1 4657.45 2399.04 617.42 2091.82 2675.39 2130.62 2908.31 2928.6 3154 2835.52 2400.85 2572.5 2922.53 2616.43 2799.18 1708.93 1718.2 2082.76 1897.62 2742.77 3279.47 2043.38 2306.47 2231.47 3270.37 2584.11 2696.06 2867.64 2538.37 2818.3 3257.61 3485.99 4230.45 2776.47 3853.45 842.98 1911.38 2523.04 3393.9 2084.85 2392.5 2712.4 3839.23 1536.15 3569.87 2364.21 2274.95 3163.15 1962.08 1908.85 573.92 2446.02 1450.12 2155.82 3319.67 3570.5 2043.33 3408.11 2193.28 2005.3 694.72 2028.96 2480.51 1912.79 1400.69 2581.46 2269.57 1203.01 2669.37 3634.08 2152.25 2238.54 2156.03 2145.52 2137.42 2236.2 2247.35 2137.77 2237.7 D-Valine, D-valyl-D-valyl- 12018.61 13464.67 14031.61 14312.51 12596.46 16893.39 9597.82 4929.73 17998.88 9894.41 12398.84 13742.03 17246.93 20605 25228.48 13127.76 16190.25 16307.53 11314.75 14690.95 14467.66 12265.93 8348.71 17654.74 17807.49 14044.74 11790.6 14042.59 22558.04 15694.31 18868.12 23833.86 14832.26 13107.54 15188.43 14783.43 15548.73 11895.87 7806.82 19626.59 10245.73 12745.99 10631.12 11906.85 11713.87 6912.69 12067.63 9109 7929.15 17875.99 9250.49 15893.77 11719.81 16224.24 17436.2 24546.16 15239.54 15085.64 9821.36 17278.36 15039.23 8307.76 18280.09 12371.75 15032.66 13047.94 10468.97 14511.31 14737.07 12437.32 18475.53 10827.02 17006.64 11181.46 18383.86 17822.19 17979.78 18762.89 16083.25 17535.66 18012.01 17996.67 17324.03 18018.44 Teriflunomide 1503.03 1204.93 832.64 849.54 1529.37 876.35 1401.46 3187.9 3120.61 645.33 1453.15 1111.1 926.39 858.64 1501.01 1196.21 814.98 1369.74 664.75 1854.96 2982.07 1238.77 956.03 943.21 2949.09 1887.79 1327.48 486.65 568.27 1379.59 2986.72 1395.26 1637.93 1040.28 902.37 1778.15 2857.46 1227.61 757.2 555.22 570.95 3519.72 1055.73 855.57 3799.13 1165.41 2250.08 1049.18 819.08 1774.63 998.62 2432.25 831.61 589.67 2615.33 2459.29 943.56 1183.04 3514.93 1066.57 1013.34 525.93 2095.69 1216.1 1188.12 3951.57 3301.57 1375.34 516.22 3671.14 1207.72 1614.38 1303.97 821.55 840.26 1363.95 1390.64 1232.5 1145.1 1304.22 1431.6 1390.47 1409.17 1269.85 Ramosetron 6326.9 947.68 2394.5 4573.74 14723.91 2765.16 4353.12 953.83 12114.14 3131.32 8162.9 5663.82 12593.79 11145.81 10630.46 15699.53 8499.23 12897.46 19956.64 878.63 11448.67 5825.49 7883.16 11206.01 19031.75 3326.32 9471.33 1333.77 8364.19 5525.9 4575.72 18766.73 9653.52 14717.06 7833.55 4503.38 2303.44 4896.45 6281.49 3701.49 5392.32 8496.15 5446.52 5530.21 16248.38 4941.14 1931 3117.67 4748.59 11689.02 3805.51 10430.42 5821.95 9114.62 15388.86 2251.34 3131.23 613.16 15357.33 4623.52 4501.26 4226.29 6653.92 7685.24 4838.26 5663.88 11281.17 4625.67 11789.85 4517.55 745.05 14112.24 12463.11 4704.64 8430.67 4505.17 5855.17 6654.54 6755.05 5439.38 7078.53 5708.49 6505.24 3930.87 Nifekalant hydrochloride 1690.98 705.33 4072.98 2974.57 1520.92 4656.27 20549.95 4841.38 3732.85 4676.98 6716.65 15244.12 4932.01 918.79 1636.58 2714.39 458.41 2197.85 16453.06 3861.21 3505.28 3126.92 8716.04 4215.86 1909.48 3213.84 10382.37 452.93 2677.3 3556.85 3665.03 8045.81 2396.17 7063.51 2445.12 2844.94 1208.82 4761.26 4126.69 4993.08 2967.23 651.08 5763.99 950.36 6954.22 9453.6 2349.66 10889.57 11734.14 12153.39 10270.72 2830.37 4589.41 14545.4 1743.52 2956.88 3362.25 574.92 456.11 3435.21 4935.96 1840.44 2166 5320.82 3934.8 2463.69 3912.21 1972.39 3743.41 2433.19 2985.09 20415.22 4671.34 6742.46 11259.17 4978.49 5259.25 2851.88 5368.3 5178.86 5390.33 4861.88 5394.39 5720.3 Dihomo-gamma-linolenoylethanolamide 6590.41 11993.81 667.36 3030.4 6014.86 16313.68 5156.55 7737.4 9292.64 9971.83 7258.8 3751.07 6645.96 5936.44 9935.4 4440.08 11685.42 6037.26 5514.11 5101.4 8917.36 574.03 6120.3 5641.67 6678.45 13258.6 9882.64 7005.22 6192.9 18655.2 9518.09 6983.97 9992.09 9157.99 8072.49 7574.8 12640.1 13804.74 10250.94 16061.27 15737.72 8349.58 6039.25 6057.31 5068.49 4074.09 5569.47 6515.41 6516.37 11183.15 3538.23 9845.76 5619.19 3448.35 3873.89 7151.52 3941.73 9758.54 11509.46 14602.44 9521.45 9927.37 8787.03 8325.89 13195.85 6264.71 17152.31 6814.35 6966.95 9251.7 17007.81 6675.33 10222.96 7504.46 10542.93 9545.86 9595.74 9552.25 9701.85 9710.34 9549.3 10166.65 9237.66 9796.81 Cys-Leu 14962.17 15613.76 17889.79 15542.96 17943.39 13851.83 7344.09 13202.27 18522.22 20843.32 813.46 8495.12 11067.78 14582.28 14569.96 13101.71 14834.16 8355.96 15261.2 12408.49 9821.04 7961.63 9873.22 17471.7 7385.72 16473.04 16626.94 17435.77 17724.99 12089.37 13588.19 11642.78 9933.63 12971.37 13610.55 16769.94 15197.91 7473.42 12054.32 12674.24 9139.6 9063.61 14643.1 13041.43 12751.22 11694.51 15650.37 13728.27 10579.35 14406.95 13230.24 12506.32 11290.38 11788.45 8054.51 14946.39 8435.23 11545.71 14492.32 12519.25 12253.02 13380.14 13091.27 10139.45 16868.59 15080.1 13732.83 8964.76 15133.78 17809.69 14600.19 13238.22 8637.12 10763.14 16675.91 11804.57 11458.17 11537.44 11587.65 11264.52 11196.39 9370.87 12029.05 11818.11 Norcyclobenzaprine 11296.13 16731.33 19926.54 26143.7 22688.27 24155.6 23335.08 16073.22 17973.53 15528.89 11470.23 11557.8 16219.25 14101.87 11914.24 23473.42 14701.92 11970.83 23990.2 14612.28 12573.4 9669.38 8377.92 20363.37 15354.86 18603.28 18916.62 26209.87 20336.3 13028.36 14746.84 25379.68 7480.27 18912.64 22476.99 12971.83 14193.66 13251.61 19018.08 17532.4 18743.99 21191.36 22580.52 16385.55 16527.06 20271.86 14141.58 23262.81 15756.16 29087.93 11013.66 12924.44 24143.63 27980.6 10511.52 14651.45 16530.63 14037.34 11560.87 10290.67 14323.03 14328.44 13373.96 22965.12 18245.24 15575.34 18863.35 18857.58 16632.59 16068.32 14440.39 19251.1 22980.34 21403.26 25068.35 17129.2 16946.41 16956.88 17118.35 16721.49 17135.4 16940 17139.75 17224.56 Etofenprox 1263.5 1196.63 477.91 531.24 791.34 2203.13 889.87 2197.37 1716.23 433.6 1226.58 798.84 494.22 913.86 619.87 1028.61 380.58 548.73 6468.56 1523.84 1467.36 1697.98 1079.46 679.51 735.46 782.07 1262.07 428.45 3175.85 679.18 547.56 2711.17 1652.5 1035.03 1800.7 2463.53 1753.73 814.16 2019.46 1622.37 2669.62 3628.36 1988.78 1828.03 2796 1213.8 5943.58 2088.97 1709.37 3990.82 2083.23 4653.92 3316.49 2756.66 2484.87 2941.88 2378.65 2437.83 2054.16 2078.84 1502.91 1621.65 3650.24 2758.31 1907.17 3263 3015.62 1682.01 1898.86 1924.04 1819.63 1840.02 2436.17 2700.08 1822.45 2695.46 3047.93 2871.6 2967.24 2980.13 2971.27 2870.25 2869.24 2912.08 Ergosterol peroxide 27661.54 17908.05 18374.27 40247.86 106197.33 60074.54 13874.89 21859.46 22840.33 25579.42 6842.12 32030.28 68388.17 24772.7 27464.38 59034.75 25702.26 39722.33 59075.06 57575.94 61814.64 20994.25 18201.51 16275.61 28324.15 39328.25 19256.3 21680.45 35846.67 22081.75 33717.14 103989.3 18389.56 50607.5 30478.45 4645.95 28488.91 38705.32 22673.09 22581.87 52094.92 54389.95 7288.4 14838.56 53728.68 58762.92 5024.32 5834.77 24165.09 81561.86 4396.68 10042.43 22920.44 11246.31 34194.79 24647.7 21672.58 15767.56 9033.88 20039.75 961.09 18447.12 2575.06 28151.44 2700.35 18704.54 56409.49 10690.27 21779.49 25511.94 24634.26 762.33 24151.92 42601.21 7779.4 30119.64 31280.47 31223.21 35681.54 7235.68 28751.34 31847.63 28368.09 31378.52 6-Methyl-5-hepten-2-one 2575.36 2776.33 5200.27 5208.99 2361.81 4021.75 4376.79 2030.7 662.1 4727.54 5942.49 1496.28 4613.71 5050.14 2202.22 6999.74 1901.7 1775.25 1764.85 1751.48 1967.57 1119.24 4665.23 5083.39 3025.85 2763.05 5763.05 6494.42 4364.64 714.2 1408.33 7193.48 1404.89 4568.74 4991.22 2763.4 3015.91 3825.33 4887.52 5016.62 2280.02 4989.09 5197.27 3676.33 3194.94 5285.54 3608.76 4867.57 11322.57 6837.86 3277.19 9974.2 5810.78 6787.98 3276.51 2915.5 10258.16 3825.4 2597.63 2752.41 3429.42 1469.75 3131.89 12927.83 3937.22 4392.34 1618.94 5189.62 4499.02 3056.45 2039.85 12939.52 4930.39 8280.28 15051.39 4171.03 4119.26 4113.57 4308.94 4111.82 4078.55 3983.6 4174.41 4074.96 Gly-Trp-Trp 4803.43 3016.94 10948.32 1010.96 5181.4 1161.07 11432.6 5331.52 4866.29 574.01 1595.71 7352.41 12361.84 4045.46 1719.04 5164.82 912.59 1071.18 8442.45 1786.37 3636.47 942.96 5518.37 7970.82 10145.21 3031.68 4211.93 8957.62 4184.71 782.77 2944.53 11342.98 1776.29 10742.93 9941.95 3500.22 5150.65 2745.84 7513.79 8462.06 923.6 2685.01 7395.95 3529.63 1613.35 15159.79 3682.18 3527.74 8254.01 4015.63 10520.97 4561.87 8360.47 16162.17 3236.57 2805.02 1953.56 3626.44 2261.88 3766.77 4252.64 5282.03 6880.96 8784.77 3287.92 2695.39 2995.89 996.98 4434.25 2437.93 487.74 578.37 7266.14 4310.68 10485.25 3747.51 3877.47 4319.68 3993.29 3974.14 1986.62 3972.11 3724.7 3676.5 Resorcinolnaphthalein 25925.56 43909.15 29846.42 20238.72 32285.72 49853.1 23922.19 39950.81 42685.04 36750.4 24111.94 13980.37 16734.74 21248.17 45674.86 31260.71 26738.56 37017.14 30280.19 50287.1 36106.69 30643.69 16300.89 27139.53 35885.42 56579.43 22773.83 22208.7 44951.85 10517.61 36978.46 23618.07 30793.67 18743.14 26546.56 31513.01 41537.68 42392.58 20449.84 28728.78 39599.29 38228.96 30724.52 20610.92 41363.16 9039.65 44113.54 28353.68 13622.45 29968.78 17806.49 34857.29 26710.83 26998.51 28657.52 40264.58 25565.22 22576.29 32825.7 35291.26 22734.4 17690.77 40513.46 30902.11 24129.7 40968.88 52812.27 23826 24064.21 40472.74 38305.77 22613.95 27449.96 30292.96 26909.44 31953.85 31903.82 32306.62 31532.9 32262.71 32279.71 31934.05 31805.42 32272.43 9R-hydroxy-10E,12Z-octadecadienoic acid 2923.52 1862.7 11451.33 7970.8 45993.63 46420.94 28315.39 12073.6 12376.87 9315 6063.07 28442.93 6790.48 18867.62 3018.71 33183.79 9912.5 16061.68 1563.63 4244.74 5642.08 4930.1 1887.7 4210.12 5227.1 4353.91 1007.55 3768.88 2597.73 9752.89 1005.67 20692.05 2141.81 28104.05 32982.61 12442.83 8351.61 13348.28 10475.97 12820.86 18300.99 14921.21 14091.45 15398.68 17473.61 21613.85 12263.51 14517.86 17048.64 22179.41 12656.91 17554.87 14349.77 13225.81 10293.07 39140.5 12795.72 16997.38 6855.74 12852.92 10268.06 8466.69 12158.33 14622.93 11459.42 17316.93 22128.99 11798.99 13921.3 8791.5 10973.86 7892.28 12837.84 13014.83 17382.91 18585.69 18733.05 18448.88 18654.62 18728.02 18620.32 18657.45 18749.19 18588.68 3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide 9681.33 11479.46 11601.15 24973.28 10852.37 13388.62 35358.33 12655.19 14235.39 11995.48 7277.75 6497.4 10092.75 15822.83 8121.15 5771.11 13436.73 9648.64 15615.55 8981.93 8342.1 40788.82 19542.91 8740.89 13624.66 14003.72 11526.2 13410.32 13229.39 40106.84 9041.94 6832.75 7754.26 21353.93 6594.41 12381.17 9114.08 4703.86 16284.91 6955.79 26386.58 11122.01 16340.64 26711.79 9548.9 40325.49 13954.28 11707.74 6505.58 8640.79 7504.98 8366.92 19605.6 28184.35 21933.75 12179.93 39091.19 44567.81 10474.76 17981.92 6686.68 5523.97 11696.45 33330.06 9424.31 9182.92 6536.95 12253.45 5549.62 10337.23 8273.83 30127.89 12692.72 26934.29 32189.34 12882.42 12569.65 13092.91 10521.33 13082.97 13290.3 12810.25 13108.2 12664.38 4-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine 18940.32 19853.16 17110.96 37558.77 44417.54 30081.72 71933.55 28159.07 7812.16 21265.92 14866.19 17152.94 34502.93 14106.72 9595.43 16918 9768.46 9820.21 8584 5270.37 21539.63 40244.01 21945.13 22628.36 18560 11017.95 5832.17 10550.9 41388.25 6455.34 13471.33 22551.08 10757.46 22903.8 15294.04 16149.5 22159.67 26932.81 28493.91 11561.07 19380.59 64919.3 18503.73 9473.69 24340.52 41570.02 14853.68 12214.93 14730.86 12274.2 36434.95 29437.63 23006.65 18619.13 32444.64 13589.78 10910.76 9292.86 17230.94 16188.69 15152.17 25833.17 21970.92 15507.46 7473.56 33623.66 7958.41 9049.67 7929.12 13830.42 4219.52 13267.69 16530.71 19776.84 14055.25 25337.99 25454.38 25526.03 25655.91 25481.07 25338.26 25338.17 25203.06 26254.95 27-Hydroxycholesterol 415.56 2438.23 9515.63 4556.07 1241.61 1282.56 7136.15 9695.78 5398.96 8986.89 4236.13 2034.9 15613.19 6497.55 2667.27 9796.57 1150 4112.37 17108.11 3354.89 1283.21 6952.95 11063.84 4758.47 626.39 932.85 6678.89 2253.34 578.62 2079.76 3697.83 2685.83 4268.98 15116.35 6961.93 6922.1 2903.67 3199.69 9519.93 1902.46 3883.94 2804.67 14701.01 1982.92 7313.38 6212.08 6551.65 10024.48 11673.21 6332.69 6318.65 13694.1 15078.86 11442.26 3345.26 8268.66 16410.05 5830.8 5103.3 3177.87 3330.27 9716.12 5507.53 10994.67 3470.97 4567.43 4300.23 7959.68 2918.67 12818.35 3862.58 15730.77 5140.23 7273.03 11666.93 8102.22 7411.44 7633.99 7641.25 7876.13 7426.46 7594.7 7425.13 7068 15-oxoETE 59926.14 63378.17 17823.24 40995.83 46957.99 39730.25 42880.23 41327.65 36046.37 22961.5 21519.17 19915.76 23948.64 35564.36 51290.6 57340.48 66344.51 50907.87 50077.99 63073.9 29488.86 30895.82 11127.75 26934.22 44293.35 40209.26 39023.67 25023.89 41151.05 22264.75 32830.63 38313.83 23924.69 13723.56 33652.57 40122.46 49414.1 18151.03 13086.74 18286.12 36928.77 36803.74 20141.43 49886.36 35617.32 13460.71 53674.91 44909.38 20336.45 32902.18 17899.91 20880.7 9622.85 13315.96 51574.36 38238.31 32896.25 23214.66 34017.32 24516.85 28389.67 24372.12 41892.27 16500.04 17278.78 33688.42 30625.6 70546.01 62780.8 62969.79 37495.1 41664.15 18193.6 25637.06 48714.48 33678.04 33959.84 34521.29 33816.32 33377.4 33954.53 33953.93 33564.53 33905.52 Cucurbitacin D 13033.49 15210.02 1839.99 1181.94 6825.07 19703.59 9836.58 1999.18 16832.43 12738.28 2509.91 1774.52 817.53 1074.4 1191.35 1855.23 7892.65 12625.5 2201.83 14720.78 13156.81 1376.71 10159.54 13215.4 15254.21 14466.7 12033.25 9936.46 2255.86 7706.02 14924.52 9349.68 4913.75 17701.57 12549.71 5793.63 10173.9 12753.26 14327.01 10566.05 19523.33 5773.38 9384.91 10675.14 5590.02 10298.36 8054.24 7307.76 4262.92 6878.29 5423.14 12339.74 5797.3 2528.96 3076.56 15418.44 7988.64 3897.87 6718.97 7296.98 11286.11 7517.27 10933.51 5585.83 5817.64 5899.61 17945.73 9510.14 9540.15 13967.26 13887.42 13857.52 10472.84 11716.73 14187.22 11614.81 11625.06 10911.56 11466.79 11383.46 11775.06 11308.03 11116.62 11445.57 Fenobucarb 3938.4 3777.44 3495.74 3148.08 3643.15 2546.54 2109.67 1266.81 4268.26 3106.35 574.73 2240.51 2363.08 3653.35 2992.01 3640.53 2474.6 3156.85 3198.71 2599.46 1681.42 1673.59 2306.92 4415.67 2924.62 2948.93 4951.66 2482.07 3856.7 2697.88 1562.34 2747.32 1210.9 4190.42 3214.16 3795.2 1634.15 2507.84 3244.06 2697.93 2655.36 2752.22 2025.1 3488.97 1757.13 2349.84 2823.78 2942.52 2823.21 2904.65 2351.75 2735.72 1970.94 1932.85 1135.33 2548.59 4026.67 2307.4 3656.6 2291.36 2766.15 2800.53 3212.66 3274.59 3159.76 3455.38 3210.87 2523.05 3545.18 3291.05 2355.31 3469.32 2328.27 1706.02 2425.27 2532.51 2683.68 2742.77 2753.01 2620.89 1762.84 2600.23 2741.11 2600.96 Malonoben 2071.19 2879.63 2339.7 4256.97 3387.34 7326.43 27413.4 7234.83 7243.09 11922.31 22862.65 21866.04 24568.26 13388.59 3936.68 17265.81 6038.79 3486.12 19153.58 2809.02 6025.08 6151.14 16177.51 8470.73 4256.15 3039.8 7746.64 4674.54 2221.51 8507.33 4669.98 23866.85 3835.36 16882.71 9967.27 4074.26 4039.52 9440.59 12377.77 16953.3 7650.06 8418.14 13557.29 10326.77 5596.04 16215.99 4716.61 8642.45 13669.48 26860.19 2426.54 3947.62 9101.06 14420.96 3696.63 657.08 5087.72 5249.95 2306.34 1630.88 5516.24 7212.95 2399.44 9818.97 5016.73 2455.17 6075.61 9960.02 10400.65 3713.66 4319.59 13982.75 20308.06 16997.25 20797.1 8725.34 9244.22 9210.15 8923.34 9250.86 9258.84 8878.41 8885.29 8898.78 Arachidonamide 187549.88 157196.34 153654.88 208110.81 350770.76 206679.23 220188.79 260982.48 268922.4 309231.3 223266.19 216357.27 306932.98 204359.89 163843.81 239734.24 321041.76 81111.83 272867.05 313549.72 282307.62 151242 195489.64 236979.47 216212.93 139973.21 151532.19 187931.88 455249.29 378537.36 374290.51 526040.3 200840.91 301145.43 313513.04 249605.58 119271.92 95879.64 120701.83 148766.2 383592.34 418434.62 189275.83 219605.57 160591.15 172581.33 338176.45 182949.04 259271.98 394831.93 380242.81 184860.6 250522.5 522580.51 178824.19 121675.25 156571.71 104052.75 231173.01 86883.21 182990.05 125603.1 140591.86 265015.5 193337.22 229111.94 245681.37 259139.14 190978.15 193270.52 132275.66 201484.3 169401.79 235370.94 281912.8 250872.79 251738.67 250918.11 246852.56 249576.35 249122.37 249586.57 249227.88 249087.04 Steviol 43239.03 24024.35 4553.83 11088.33 27338.8 35888.41 19211.19 33944.18 23278.78 20005.92 10915.99 9586.76 15892.88 16057.43 14689.49 7534.77 1366.73 11829.32 16494.49 9739.85 8122.07 13647.58 6288.88 9596.25 33576.37 36302.17 16613.78 19243.42 28819.72 5716.02 13625.98 30761.73 10901.49 9468.24 15470.91 49914.27 16490.75 9774.55 8205.09 18513.16 10246.81 58014.87 9612.31 18399.1 17684.05 16715.88 37604.68 17085.27 22200.92 19795.61 46698.02 16803.22 6194.94 12411.84 18476.2 13507.37 11705.61 7359.26 26044.04 9286.81 13917.47 10422.03 12011.55 6192.9 7140.27 28120.31 13815.48 12957.17 11949.58 28438.37 21949.71 15204.55 11513.38 21418.68 15692.77 20013.82 19846.72 19599.45 19824.26 19858.4 19593.1 19696.09 19332.63 19786.75 Beraprost sodium 571.43 392.95 330.22 1964.38 3293.37 1558.08 2737.34 1132.39 606.31 1103.07 325.72 644.25 460.14 638 757.76 1045.55 632.59 388.94 982.98 2002.64 495.3 10543.34 483.24 741.82 890.08 421.16 1480.6 535.59 3445.64 3029.3 929.91 866.1 362.49 979.42 1150.93 1889.21 405.57 1211.76 1202.93 1342.88 2158.05 1279.09 1168.85 1129.62 364.9 4605.3 2101.91 1097.44 892.16 338.94 1059.73 1228.67 1532.2 358.59 1425.49 1112.01 1065.08 1066.59 443.82 474.17 996.24 1160.77 1178.11 985.3 1171.17 1305.81 942.56 1056.23 2983.52 995.6 1117.2 1006.17 1537.12 918.21 1423.75 1615.09 1670.87 1617.37 1645.63 1694.91 1664.97 1377.19 1689.33 1784.02 Iberin 293539.92 69454.25 59452.13 64270.61 44807.32 91077.93 50828.17 56203.24 53911.49 103874.37 35734.11 29232.83 49991.02 7752.44 13782.11 66750.06 1499.89 59557.15 61805.9 297305.34 88500.54 89118.88 71866.95 311818.42 311299.28 87282.52 67091.27 360587.3 79083.96 68753.34 47608.83 44893.18 53013.14 25086.42 18944.7 155864.9 336518.8 99417.85 115893.25 80363.05 689.06 5633.11 17369.57 10648.94 82737.99 3718.03 16946.59 53382.42 26480.94 58197.02 70267.65 70578.51 4346.69 13242.97 5220.11 3688.94 1638.52 16614.49 45834.36 57564.12 6127.32 47660.32 77024.17 45772.42 26019.59 8646.44 37947.68 15322.09 69969.44 4167.34 52729.47 47428.96 48643.94 24119.8 1595.83 40918.63 27053.12 40053.44 37448.5 28201.76 38773.75 40792.7 27865.32 41256.13 Cytotrienin A 11630.8 6703.34 5659.41 3553.28 16129.91 40663.8 9411.58 5249.77 3822.97 7803.87 1526.36 4028.31 4218.88 3435.55 7635.44 5009.96 1788.3 3192.72 3413.18 2161.79 4266.5 7554.21 3129.2 3936.5 3315.21 4720.66 3200.81 1226.99 13727.97 4928.75 2482.06 5151.02 8350.45 5970.12 3538.05 2337.46 917.97 8664.49 845.31 927.82 7059.52 16170.75 1320.93 1760.29 11735.86 4519.8 2482.67 4074.57 12873.17 12667.49 10689.34 1845.83 1522.55 4805.22 17554.65 23590.53 5118.43 886.33 10001.29 3502.8 1149.33 2903.63 30974.45 2164.22 3715.45 13652.58 6147.96 4436.83 4536.37 3844.53 1403.65 3282.77 2822.22 3047.63 3220.46 4077.18 4908.5 4003.33 4079.34 4755 4262.95 4789.29 4448.91 4889.24 Ganoderic acid H 966.13 529.35 3153.1 280.9 7942.69 1806.31 2082.02 650.13 834.82 1128.96 3582.44 1625.38 1146.17 1785.65 4606.43 2652.43 10209.02 1119.96 1439.32 1565.47 1628.73 1244.54 2812.42 452.14 9994.33 9478.7 483.99 6098.2 1228.35 2347.57 1488.49 982.59 468.01 8323.07 2626.88 4555.89 11308.13 1049.89 6852.85 10848.1 3131.3 7181.08 944.74 7179.38 1814.51 4329.77 3493.51 898.21 1379.66 3564.36 675.14 2315.95 4029.93 6676.09 4461.32 2270.95 12411.71 5101.41 2773.32 3411.25 3057.76 1028.84 8265.62 4938.58 3470.33 11474.86 2239.63 2268.62 1437.63 7208.8 345.64 1092.17 4078.73 5283.26 4512.45 4762.0 2901.27 7248.87 6983.45 8408.11 2976.85 6325.75 3631.37 4968.2 9205.96 5245.53 1985.02 6783.61 3153.11 2956.71 3529.45 4950.66 7829.33 4426.46 4302.56 5126.59 6452.5 3606.8 5780.21 4672.15 4930.06 5239.21 5613.04 6227.45 6055.32 5649.5 4765.3 5059.5 5701.97 Propentofylline 3004.01 1027.88 1956.65 2094.24 2488.89 1584.38 2379.12 2830.92 5048.04 617.98 827.83 1547.37 2856.49 589.43 5387.61 1599.01 1639.41 9747.28 6734.71 2821.48 8350.68 2655.89 1459.8 2516.12 9794.26 7090.54 909.12 613.49 8419.6 7868.77 8773.5 773.33 1685.23 1505.26 1257.7 3764.2 7682.88 1782.95 728.53 1647.26 1748.39 1421.1 1589.35 1424.43 7821.9 1797.5 13858.83 2860.89 2278.98 11140.51 2279.96 2908.67 1618.79 2486.47 1167.84 2053.3 786.58 1467 3632.28 848.41 1330.18 894.21 3040.84 1987.32 676.63 3522.89 2187.82 2534.31 2840.62 1483.59 1966.34 1304.61 1214.97 2400.88 2731.56 3712.67 3703.43 3659.11 3717.62 3642.45 3750.28 3789.73 3519.58 3519.24 Matromycin 360.29 530.94 1641.45 646.14 461.24 447.01 2167.62 1050.31 695.54 898.59 1184.49 313.83 1310.35 820.02 1535.2 362.2 691.3 617.23 1568.26 5175.04 1291.27 402.61 991.17 524.14 1425.91 1123.4 519.16 561.9 1267.5 243.44 1673.88 2950.73 801.24 742.83 518.29 326.42 241.88 1311.53 623.44 731.56 3619.14 2096.66 561.77 1111.42 2430.15 1004 564.41 1059.6 54243.24 8073.85 5588.74 6753.26 5707.75 3588.6 4060.37 2213.27 3210.67 2364.42 2690.76 2806.26 2195.39 2954.61 1190.48 2584.21 2642.96 723.87 2360.09 3212.45 2671.49 1626.65 688.7 385.28 29318.83 48971.95 12358.5 5200.34 9859.83 5298.55 3594.32 2849.33 3869.29 5078.66 3711.82 5142.37 5204.82 6078.98 3796.4 2884.66 3583.62 4703.13 3640.54 6718.15 5442.38 6612.32 5413.23 5029.11 4118.23 3337.71 4014.25 5266.83 4816.86 5069.91 5038.57 5052.89 4915.03 5040.52 4812.5 4790.14 4779.89 5,7-Dihydroxy-3',4',5'-trimethoxyflavanone 4005.98 4853.33 2390.11 1520.88 2125.51 4472.3 1663.57 5935.06 7641.82 5154.32 3194.45 2675.81 1495.91 1875.94 2281.67 1411.3 2504.72 1461.96 2587.54 4389.98 4713.62 3878.85 1269.82 805.24 7227.76 3072.88 3446.05 3403.21 6149.84 16716.45 10379.39 5141.2 1333.8 2044.95 1759.58 4668.84 3038.1 2507.59 974.23 862.48 7713.41 6078.05 781.73 2227.55 4678.58 974.14 5153.87 1427.92 4290.12 4246.04 5314.27 1608.94 743.47 3272.92 2266.61 1291.35 1655.05 767.3 2613.16 2479.63 694.78 1928.62 2448.75 949.94 698.18 2997.69 2080.89 1752.18 937.27 4802.33 5011.08 2232.2 3768.84 1035.17 976.56 3212.27 2745.61 3073.29 3206.92 3144.33 3215.92 3219.69 3168.44 3030.88 1-O-Hexadecyl-2-O-methyl-rac-glycerol 1365.45 737.03 1167.7 3981.53 254.26 4834.66 1266.11 573.04 671.87 267.42 1282.08 833.09 2490.16 1135.33 1268.89 3688.64 363.21 782.98 1695.81 1148.08 625.96 2015.3 1011.48 1397.52 966.52 730.21 1108.3 1210.46 808.39 2729.62 631.31 3577.47 777.94 1998.66 3075.5 767.15 856.19 472.61 565.69 487.35 1997.45 3605.7 772.8 393.58 408.88 12367.23 255.11 321.14 305.49 1525.7 2226.58 392.89 417 1213.85 6316.43 467.87 278.37 288.51 373.23 303.48 1244.45 353.61 609.79 393.97 758.13 3780.85 298.39 1285.54 759.38 280.91 671.02 476.69 390.53 2951.95 1613.37 1796.49 1955.23 1927.37 1928.28 1950.33 1982.94 2142.74 1954.65 1923.65 N-Butyl-N'-hydroxyguanidine 5689.24 6906.19 4902.87 5115.67 7510.29 10723.46 7652.61 8087.65 8770.35 6778.43 5230.95 5973.39 6409.92 5245.84 7558.42 7123.97 4535.15 6346.48 6931.45 7685.44 7115.68 5551.3 4691.4 6206.17 6719.94 7763.15 6361.76 5962.45 8606.05 3181.5 7681.67 7900.25 5211.37 6491.81 5556.08 7733.63 7179.58 7548.1 5467.69 5188.76 8947.76 9269.89 6549.37 4813.09 8052.38 5492.45 8312.98 5890.3 5105.93 8242.37 5557.76 6432.34 6062.77 6854.69 4999.84 7217.77 4697.19 4345.7 6787.71 5794.34 4375.53 4237.93 5266.83 5547.23 4411.72 7459.02 8062.81 5049.58 5232.02 6362.79 6605.06 5908.07 5213.43 6037.43 6339.63 6821.61 6771.28 6864.65 6866.28 6774.36 6772.59 6772.68 7243.99 6789.81 3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone 8128.45 9824.41 7299.13 2643.63 10249.38 6542.81 9682.08 10142.25 10277.94 9685.33 7659.97 7108.46 7174.13 7404.25 9579.84 11030.56 6860.67 8476.77 10715.44 11660.31 8841.6 2740.36 6709.32 7785.79 9253.59 9829.2 12620.76 8815.48 13664.57 6305.56 8944.94 11444.72 6991.59 9661.11 9172.21 11083.9 9082.71 7092.61 9133.22 7762.78 9509.57 12992.86 10165.61 7119.61 9848.8 7486.62 11826.55 10714.59 10983.46 11808.13 7916.54 7515.72 9130.89 12000.22 6383.46 6873.04 3116.14 4861.26 8707.08 8566.6 6432.71 7071.2 7633.5 9368.27 5727.8 5269.4 5979.25 9312.79 7432.56 7067.2 9593.61 9020.45 8400.6 9125.36 8891.47 9340.82 9117.66 9060.29 9125.03 8977.3 9060.37 9151 9151.99 9092.54 Abn-cbd 667.48 1147.3 1638.73 10549.95 25624.83 39597.02 18016.35 1888.88 247.47 668.29 398.27 2008.85 6654.21 434.7 1118.04 706.2 143.28 213.86 1336.19 725.89 400.64 1252.68 2128.59 1815.31 908.04 1779.81 173.14 430.05 1698.22 843.01 174.05 571.13 144.51 1487.61 210.22 1114.26 1147.42 852.87 1478.01 437.51 11373.13 3406.65 577.13 432.93 832.37 8227.94 245.35 469.91 562.25 830.13 1001.65 1676 798.42 1296.8 3021.37 449.37 560.17 481.66 275.31 1220.05 1167.18 1438.51 1341.27 713.69 441.02 2311.73 487.27 443.59 319.57 571.42 138.18 554.88 302.29 830.53 1618.25 3660.66 3978.28 3980.16 3757.78 3932.49 3902.25 3729.27 3841.28 2471.84 Chimyl alcohol 113132.65 127983.18 90769.46 128207.16 168653.94 220978.26 213007.3 161213.74 168134.76 124660.8 106893.1 149354.21 157301.68 112602.33 135995.38 199367.71 85326.99 126093.65 184110.35 182867.53 139144.82 102496.93 115900.32 143616.91 133286.95 151010.49 144280.42 151246.49 180205.48 162365.46 130871.05 158656.19 69327.96 144633.2 128559.23 160580.43 124813.78 145047.17 146377.38 142785.22 150538.16 211329.34 151292.43 114890.15 174967.35 136252.38 194401.31 161833.92 80225.96 228628.39 104996.73 109454.64 138648.21 175162.02 105501.31 133062.67 94862.85 94625.9 92687.4 103047.58 97867.38 122094.12 120484.14 165465.43 114288.32 159099.99 173294.34 135784.82 141652.47 140940.98 123199.03 170593.49 107271.38 110595.87 159213.37 150028.78 150764.88 154073.79 150542.52 151657.78 151634.31 151115.83 151666.72 149886.8 16-Methylheptadecanoic acid 387.42 2001.83 1941.5 3204.94 3349.5 6036.42 2110.09 1290.14 693.94 702.75 460.88 369.04 364.46 541.92 913.87 3124.63 803.71 996.71 938.13 1070.16 894.05 506.49 392.94 1603.33 408.41 788.14 416.37 472.49 325.75 632.71 1001.27 612.3 738.38 2354.63 3031.36 852.97 921.77 2288.71 1159.24 1279.63 745.87 908.74 2581.04 2245.9 1263.53 3095.5 701.71 1993.95 600.04 3286.94 534.56 1271.89 2114.64 2477.18 732.71 1336.47 1216.25 1624.64 726.14 2047.83 3705.52 1557.85 1422.62 1470.05 891.34 1838.06 1433.49 1185.01 1026.36 697.98 538.75 739.81 747.22 3227.03 3047.24 1954.94 1884.65 1999.63 1947.22 1647.54 1943.73 1942.73 1882.52 1884.23 Maslinic acid 749.06 794.67 4940.47 3740.53 2575.84 2974.41 5126.28 1405.56 1871.87 5125.69 4949.1 1489.92 4459.47 469.42 4828.41 3349.53 1145.42 3815.48 708.82 2608.53 566.87 4900.34 4119.88 5406.97 2122.62 541.14 615.19 2340.25 3578.75 2178.15 318.89 674.9 1096.43 21300.69 19397.76 3513.58 4048.54 30996.36 5476.5 5610.89 10599.51 4114.2 8593.75 5439.04 2856.17 5463.53 4939.97 8225.84 7103.1 3733.51 2160.14 2111.61 3799.73 6148.27 3723.42 15541.74 13535.78 12585.71 3113.46 23733.73 3926.9 3353.8 12772.11 21676.54 14149.05 3260.7 5076.64 6774.01 6153.28 2962.9 3113.79 18084.8 5959.95 22766.7 10024.05 8103.86 8328.49 8316.75 8099.19 8513.47 7426.15 8318.67 8180.36 8318.9 Hecogenin acetate 20344.1 30524.86 21571.05 25437.03 14633.16 54186.04 47414.88 31296.78 31493.18 23623.07 19875.1 1257.1 26652.27 28298.05 26988.25 31335.89 12556.13 33233.54 51923.33 53300.85 25160.04 27644.08 23871.97 460.09 2260.66 46493.78 19241.93 2003.08 29988.7 11788.78 44121.4 52586.8 21067.27 31064.81 25185.8 14961.05 19850.23 34191.6 15016.5 20793.89 13507.74 9603.93 24418.82 20399.27 46345.32 37332.59 32170.92 31636.3 23541.51 45685.3 14898.74 32372.82 21108.96 24540.14 10011.13 24619 16734.39 13757.33 18065.15 22671.01 14956.1 19477.2 27536.48 27682 15763.53 24048.99 36574.24 17485.44 19694.29 27557.59 29578.62 28219.76 28107.41 30049.87 35219.6 29110.16 29313.58 29112.75 29086.68 29049.88 27118.58 28617.33 28704.47 28615.68 8-Chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-benzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide 9034.7 4046.22 948.02 518.62 4573.88 2661.88 1724.28 14337.69 10225.96 2053.04 2714.44 3867.95 1242.52 2524.27 3975.1 1624.11 3903.67 7889.72 3051.44 7560.3 10968.79 2553.72 1195.49 1643.89 11424.94 3911.88 3373.51 5658.76 12513.91 6295.87 14033.75 4028.79 704.25 357.41 1550.61 11082.47 8262.76 1528.07 2266.51 4214.32 12003.45 9311.18 665.5 782.46 8846.28 1586.62 11505.09 4461.67 3862.09 6805.82 7329.07 3145.48 1367.45 2739.73 7664.68 2040.34 1220.21 910.3 6235.6 440.68 841.45 1145.8 3364.36 1392.05 2419.08 6185.24 4859.71 4197.2 7188.11 10317.53 5745.73 2157.45 7414.49 1960.35 3478.15 5963.01 5978.46 5841.81 5308.4 5970.38 5846.76 5972.98 5852.99 6045.36 Cinchonan-3,9-diol, 6'-methoxy-, (8alpha,9R)- 706.38 10990.2 11005.97 10898.83 2157.65 48465.15 6652.43 606.71 1236.3 261.51 3535.25 4371.87 4364.97 259.7 10652.52 3863.57 4415.75 8083.91 8294.47 11691.04 5384.58 44782.36 16548.59 4071.56 692.59 10342.75 2690.48 253.47 9929.06 4076.99 6147.34 5291.74 3386.57 553.97 2312.9 1137.86 846.62 43679.12 3426.02 1222.7 8853.83 5984.85 5803.13 2667.29 1425.15 3773.83 3594.98 11356.79 4019.05 488.08 824.86 4219.28 316.7 6539.5 1357.48 6477.61 6440.17 10089.42 1309.96 29787.09 1609.18 19423.6 3927.47 23338.49 9467.19 5446.13 8917.29 2899.31 4124.61 3039.64 5125.89 3043.9 612.63 23918.04 6033.31 11668.43 11518.31 13002.43 11200.76 11689.03 10767.79 11754.07 10177.8 11815.77 Phytanic acid 670.54 394.49 312.48 2383.69 423.15 578.03 525.12 663.4 593.73 566.49 443.76 295.6 687.2 588.48 644.03 3445.44 1992.24 339.15 1768.78 376.98 646.17 374.53 611.7 453.93 389.11 700.29 428.33 556.87 693.05 810.64 305.68 1818.72 583.78 1243.66 290.98 564.69 357.05 463.72 673.44 1034.77 2445.17 784.21 539.27 747.14 959.28 878.46 334.58 562.84 829.01 4518.31 819.71 519.78 482.84 1901.84 628.22 1303.39 1443.23 994.43 502.66 2191.41 2087.99 571.72 614.88 782.11 685.44 1063.45 730.47 332.23 1115.57 353.2 519.81 335.59 322.05 1529.36 4260.11 1117.95 1255.62 1132.52 1195.62 1207.1 1125.68 861.68 1174.84 1206.75 Austidiol 10779.86 12370.16 14331.95 13812.08 11991.04 8739.85 16379.7 15037.32 12946.25 15690.48 15747.75 14823.73 17482.87 15860.25 11495.34 18972.42 14404.26 9902.74 21014.43 13233.18 12431.77 2420.57 13734.35 16669.11 12806.65 10397.2 18335.09 19450.87 14824.74 12720.87 12184.22 24751.91 9314.86 17361.57 16175.31 13924.74 11496.05 10695.32 17349.19 16044.78 12735.41 15720 18688.03 14923.13 12986.53 14282.94 12745.56 19623.8 16451.88 22752.83 10577.31 10528.96 17978.53 19603.45 9194.32 11177.96 13267.79 13580.25 11941.96 2657.92 12917.76 12563.56 9324.54 15265.58 12180.74 12167.01 13387.13 17261.06 16256.04 12473.78 11325.32 16527.28 16258.43 15412.94 17562.97 5687.29 6696.83 4780.41 7235.19 4846.47 6084.54 5250.36 3710.82 4875.37 8357.88 5541.24 5005.61 5464.87 3932.37 4450.38 5183.99 7975.9 9569.75 4976.91 9280.08 5606.56 9569.49 8883.56 7577.61 7321.6 14353.69 14232.49 14608.36 14357.19 14235.12 14354.65 14085.38 14353.15 14232.82 Chlorambucil 12134.83 25357.22 16021.19 10662.17 8893.44 14982.77 11206.19 13832.95 11737.33 15715.19 12117.94 12883.56 15391.34 9947.56 18089.73 12707.87 22068.33 9751.28 23905.31 11526.08 15981.71 10184.88 14081.07 24037.07 15777.2 13648.67 2238.84 21748.8 28892.81 5263.35 10105.77 9454.46 21190.11 17706.01 18701.86 13544.4 11729.72 18127.23 16106.23 17508.55 8670.18 10614.78 18349.81 15704.99 15252.13 11056.46 19201.88 20567.49 16055.22 17814.55 10914.69 22148.4 14857.55 19680.87 10643.8 29258.88 13057.91 16130.7 19473.59 17442.95 16201.6 14728.94 17416.49 20971.15 15556.52 14611.44 29199.2 16629.3 15176.73 14307.64 18406.02 18467.87 15634.85 21464.87 15469.78 3366.19 10966.63 5943.75 6948.43 8810.38 7771.37 7640.36 6500.55 4557.45 3332.96 3526.79 1399.87 1117.26 3678.32 1635.24 1178.77 6403.48 547.07 7471.67 12716.35 17540.65 15654.35 11739.04 12306.0 21248.09 15909.63 15909.02 15916.76 15796.16 14783.72 15714.67 15852.05 15709.84 15745.08 Sulfaquinoxaline 13227.14 16184.87 12333.48 13234.19 2787.27 17233.13 15179.2 4258.58 9498.27 16428.05 620.37 853.77 1751.71 11134.03 13752.25 24940.54 29873.96 11254.88 11955 12889.16 807.52 11051.11 7947.3 654.12 25961.59 40334.86 11972.23 788.41 11619.15 830.79 12113.31 10735.04 22953.63 9943.42 22544.88 4703.91 16157.55 15080.64 9231.33 16469.9 4267.57 7019.71 12110.16 7253.5 6728.05 11441.85 7238.17 11984.04 4366.8 16096.66 7807.69 8989.67 8660.57 10912.37 7285.29 12734.72 15266.6 12387.65 13079.81 8955.5 14781.13 7537.06 13788.47 21098.42 19480.38 11113.91 39736.23 14176.78 17795.95 12574.57 20423.68 29272.38 25533.25 19431.49 11235.03 11624.86 11631.21 13314.56 13432.91 12017.45 11605.31 12487.84 13094.61 12056.38 Geranyllinalool 261.54 4204.34 1620.9 4832.8 28769.69 39334.67 2561.51 494.91 75.4 72.52 80.69 335.41 8196.89 300.61 86.69 1639.42 84.37 100.18 190.12 116.19 320.71 4031.72 68.65 54.96 300.68 370.02 404.59 73.47 359.63 61.17 182.45 128.6 326.63 89.37 133.89 511.47 75.55 261.79 405.09 269.93 8481.65 1272.86 69.13 239.08 129.86 8046.53 86.31 116.33 91.72 250.53 127.2 598.43 111.84 106.02 2471.45 160.5 267.63 155.14 356 1039.64 44.43 141.12 80.81 70.34 209.16 230.55 491.26 65.61 134.86 458.58 401.29 70.67 198.82 350.21 1126.51 2886.67 2986.29 2600.79 2812.66 2937.92 2772.98 2625.6 3146.46 2941.75 Darunavir ethanolate 3178.93 4578.87 884.99 7860.45 1768.96 7889.94 5252.1 4155.16 2810.69 2033.8 920.53 1073.71 1777.94 2952.04 3057.4 2477.53 1642.32 1586.33 3205.86 2273.47 2471.12 17829.54 861.86 737.12 2871.35 25529.3 4564.63 3776.92 6291.89 4031.48 2711.06 8040.87 9681.2 10450.57 7620.85 4471.19 2234.27 10185.64 4790.66 2501.79 4070.28 4575.43 6214.93 9229.89 1544.13 10517.49 9887.1 4408.92 2561.81 9108.98 2049.2 11658.61 5723.5 4972.37 4398.29 9314.96 5853.85 6559.12 2695.38 11516.24 2714.97 2411.78 4543.99 8595.17 5828.36 5012.76 6299.79 1382.83 3038.25 3800.37 1012.27 4521.2 1396.64 7906.05 8005.94 7819.24 5549.21 1854.1 5714.99 5938.22 5645.17 6012.77 6207.6 6176.62 Noladin ether 38449.42 47549.59 21242.53 35754.06 20689.49 41461.62 20749.41 13602.34 17802.73 14236.54 15232.05 39628.45 69711.29 77135.86 38563.53 35196.61 30856.63 58920.42 50323.34 62213.72 15658.7 19558.16 10023.62 16757.36 12515.32 19503.64 12651.8 17878.66 53191.16 53851.81 76884.6 126045.13 12183.28 18894.94 16902.48 40113.94 8955.08 19318.67 12980.13 15732.21 80863.17 64283.23 29004.48 26993.24 79170.1 54702.3 35973.45 33434.04 45975.7 172685.41 51674.17 58104.8 29385.99 63557.63 31966.42 49785.98 17912.9 17073 7860.23 12975.75 10544.36 11435.61 32799.17 32995.33 21983.18 48547.85 89192.73 24849.54 24984.2 9980.29 13153.39 16081.87 14210.14 37750.76 37047.75 40926.08 40433.15 40340.84 40484.4 40341.81 40407.74 40483.22 39995.83 40483.29 Phenylephrine 2654.92 10914.85 5872.37 8866.57 27933.2 6032.65 2142.6 17650.37 29769.77 12129.29 5931.8 6015.15 14178.53 5140.1 26182.37 12438.51 4279.22 14946.55 16409.03 16041.21 11418.94 7445 9390.85 5446.45 23702.99 19286.09 16339.6 6717.48 16254.79 12787.85 4083.39 18725.45 20595.62 12716.34 6729.98 16771.77 12853.11 2197.75 5812.16 5988.34 2950.61 5013.84 14798.27 5964.65 10126.62 13333.7 10658.14 6896.03 23438.05 13731.87 18103.45 5594.07 9993.36 15596.53 14347.02 9202.78 1996.95 6508.97 16395.65 2865.83 5285.82 4611.72 14082.71 8100.74 6839.22 14913.97 9397.15 3159.93 3107.03 18129.84 19774.69 7733.94 6892.05 15641.06 4138.33 10933.09 10265.57 10150.43 10456.2 10110.36 10140.96 10527.19 7816.66 10523.29 1,4-Androstadiene-3,17-dione 5272.31 10016.87 1738.26 1770.35 9985.67 6246.5 3773.76 4911.85 5885.98 2664.9 1551.57 4479.8 2124.02 4815.92 5460.79 3577.99 3502.3 5939.33 8365.38 17431.15 6642.12 3080.17 692.77 3201.76 3504.41 5732.92 2199.96 2759.58 7368.01 3596.3 9376.59 9538.41 1732.52 1215.73 1537.57 7574.35 3569.57 2572.83 613.66 2624.28 7419.06 10935.03 3233.99 2757.41 7287.52 3364.24 5924.63 10496.7 2878.48 15865.49 4014.83 4880.96 1868.24 3560.47 4964.13 7355.79 2359.74 2276.15 3979.25 2033.02 3047.86 1012.23 5979.24 2202.75 2480.19 6430.49 12416.49 3165.84 3934.63 5380.49 4186.23 4238.22 2374.05 2835.18 2227.62 3909.27 4211.86 4004.69 4001.84 4006.41 4005.46 3877.18 3996.78 4005.67 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid 33839.74 36451.24 31886.02 35992.6 40072.84 39805.08 42873.09 65615.02 32863.08 32043.01 45059.96 23436.69 22420.2 31554.43 29827.76 28284.98 29114.98 30698.39 32957.51 32180.07 38127.93 24717.08 21426.71 32036.66 35892.11 32430.34 39390.93 31381.77 34507.69 35162.7 30022.35 36200.3 23374.58 31983.27 32037.87 32913.71 32962.16 29055.31 31706.23 28714.01 34111.86 35266.51 34297.53 28228.63 35874.45 29346.12 31317.46 29151.16 31055.9 29865.77 34344.16 32794.97 29445.55 28026.66 50888.9 29734.46 31181.44 30429.63 30658.8 34054.66 30610.51 31506.58 34469.25 27858.83 30048.58 33410.4 36931.83 36593.85 34356.73 37765.93 31291.9 31879.92 31008.72 31945.65 31856.11 32968.32 31764.54 31534.68 31485.88 31496.4 31536.58 31800.33 31794.59 31165.81 Farnesylcysteine methyl ester 877.93 743.11 1628.61 1784.55 1491.59 1583.63 1902.85 1087.81 1630.02 2997.82 1874.04 2723.22 3169.85 2622.07 1106.96 1718.76 1710.37 427.63 4015.28 1482.63 911.84 997.74 1817.68 1763.65 866.8 1125.81 2192.8 3176.48 2164.71 416.39 1207.24 3796.68 449.58 2123.56 1309.92 1713.34 1131.96 1425.89 1561.14 2708.56 2254.24 2372.57 3052.49 1255.51 2271.15 2756.21 1762.16 924.37 2342.17 5067.34 4246.34 1363.28 2130.67 5322.61 1261.59 1604.19 912.5 484.43 1118.41 1323.96 1257.35 978.59 1535.38 2561.83 1000.61 909.92 1304.03 2357.63 2230.3 1036.75 1399.59 2370.66 2132.83 2253.29 3056.08 3040.68 1379.06 2465.19 2344.29 2536.7 2584.85 2087.84 2392.82 2169.01 Nitidine 30151.09 22493.88 12970.29 12820.14 20516.18 28158.2 18866.04 10495.09 31500.96 42908.34 23194.52 27294.64 9426 17484.77 22285.5 37021.1 42932.38 22341.07 45712.81 51337.68 27091.75 12916.47 17945.27 12345.86 6627.32 23815.2 40682.31 31170.68 8125.44 33501.41 39886 8382.98 43064.77 21292.71 27015.21 36101.67 28437.34 10664.09 21762.84 27072.47 73679 20927.56 22099.2 24640.55 54675.6 20150.07 55305.68 24557.31 36232.21 52239.81 12033.4 27756.75 18264.2 20678.64 4715.26 46045.91 19173.17 17818.44 32427.32 20611.41 28850.08 18813.85 24809.3 24197.36 21631.31 15070.42 46999.87 38359.89 20867.43 22264.5 37338.92 35201.05 17684.32 25092.52 22638.39 32606.2 31442.35 30093.17 31467.7 31527.32 31493.41 32398.78 32348.8 33220.93 Oxymetazoline 676.65 543.79 426.85 4734.16 18174.92 17512.45 22524.35 501.08 438.2 700.64 430.93 900.04 5316.68 720.54 197.57 1563.03 632.37 456.27 893.23 735.67 472.56 450.08 400.46 657.03 617.28 587.8 747.82 478 485.25 376.56 1154.84 1081.64 478.69 1200.26 352.14 440.23 288.01 1120.34 853.55 795.14 6702.54 1132.44 983.46 635.01 1032.66 3627.26 820.22 593.6 341.86 1663.86 1266.37 1203.16 887.79 1800.58 1859.44 833.98 931.31 941.18 299.33 1713.44 534.78 845.13 796.84 621.87 226.5 1381.78 1056.83 802.56 818.31 462.86 564.31 824.94 917.26 1014.38 1549.4 2699.64 2806.13 2682.37 2891.78 2208.4 2821.06 2778.56 2828.05 2687.8 2-Ketohexanoic acid 5917.33 9627.35 8670.71 1807.65 5998.15 7567.08 6078.57 9416.28 5673.2 8962.75 5299.1 6752.64 10401.33 6498.01 12162.77 10239.34 7235.91 7398.92 11616.86 1970.14 3860.07 733.71 6849.74 8305.79 10037.19 5439.18 7573.87 5299.23 10432.65 5027.41 1927.16 5369.96 8766.22 8200.12 7566.14 10618.66 4297.04 5341.77 5498.16 6350.21 3023.93 6685.93 9446.98 6277.68 4103.46 4913.3 9047.88 13408.51 6633.32 8665.11 3828.66 7793.78 5091.25 7002.55 6292.64 17362.62 7505.13 9984.66 6891.67 3360.91 6545.63 7805.95 3088.07 8512.97 7875.37 6741.45 6051.08 10481.37 7978.42 8471.67 8680.51 7399.44 4082.16 7853.26 6594.34 7264.65 7194.82 7319.74 7187.58 7206.17 7143.85 7262.8 7295.92 7399.73 1-Hexadecyl-2-butyryl-sn-glycero-3-phosphocholine 3734.13 10355.74 9059.01 3631.34 1259.13 5531.21 1773.13 1838.89 5073.6 6482.32 4115.78 3056 4616.88 5179.5 4867.95 19092.54 4948.38 1430.67 12227.06 2200.47 5973.93 7491.66 7095.52 2312.29 1181.73 6139.58 6326.64 5768.81 14100.95 7088.61 16486.37 2138.41 9603.53 6477.09 7846.36 5741.06 2600.15 5975.02 4832.17 2886.56 10301.48 10209.68 5645.13 4426.55 8482.24 2177.27 9786.68 7969.71 11132.08 13846.52 4927.52 8779.57 4588.39 7568.39 8314.67 9979.09 6204.14 6665.24 4670.36 4781.5 1143.49 6878.38 8445.75 7820.06 5886.88 3139.39 8010.47 1862.88 9253.5 642.98 4868.18 1381.44 3466.14 3157.56 10880.2 1262.97 5884.41 5788.33 5309.35 5059.78 5483.69 5232.87 6088.21 5869.35 Usambarine 963.53 423.63 1434.74 517.1 3356.51 2712.78 2289.59 1918.55 1168.92 394.89 484.37 3263.23 1835.87 845.29 1833.06 1756.56 1676.6 454.61 2780.24 2098.89 4006.9 1330.72 2062.2 1827.61 1623.06 1344.7 1249.37 1724.31 2826.88 1058.69 655.91 6857.94 1287.9 5368.98 1751.84 1023.94 2861.09 960 711.47 640.13 2303.52 2804.69 2196.95 742.74 1983.2 1773.07 1955.91 459.77 2849.85 2561.38 3688.08 4334.32 1655.12 966.75 729.23 1587.9 1902.8 1898.96 2746.97 1340.77 855.25 3273.28 2995.63 4172.17 1206.14 2355.42 2798.09 946.16 522.33 1782.41 1688.17 1701.68 2799.3 2038.5 1522.02 2525.01 2554.66 2356.58 2523.98 2377.28 2396.88 2559.03 2414.1 2417.23 L-threo-Sphingosine 11503.33 44941.64 32315.88 25349.69 18802.69 76696.63 18768.12 20739.81 23871.83 16419.38 9307.87 15355.46 13624.63 11091.72 43903.86 21368.34 25100.85 28745.38 32958.03 47336.47 18778.65 43016.95 12168.11 25203.85 13863.83 17050.49 16884.92 11398.9 34092.47 27676.64 22193.28 44138.37 35062.87 30889.51 32090.68 17407.08 15446.17 18901.55 13803.88 31386.34 18774.37 18114.99 21624.55 13764.38 11841.57 10140.63 24301.67 94396.61 9447.18 18207.87 5274.42 13403.14 12271.17 16601.09 16402.74 33898.44 26188.68 26385.55 23579.82 69519.58 18560.69 32258.85 12342.18 32879.29 49989.13 14148.2 35273.11 17772.76 28108.36 25356.03 41524.75 19268.16 14228.62 41396.67 28078.02 24629.81 24380.93 24493.84 24293.82 24384.8 24373.19 23804.29 24518.98 24521.42 Flurprimidol 879662.02 491817.87 164519.87 221265.01 795769.5 469305.41 399984.44 1051461.36 1109506.15 669728.22 349268.48 587550.38 304468.27 449806.68 752220.12 616755.42 362001.63 723615.7 626828.09 1165861.88 899631.47 254315.84 217872.73 343856.7 940865.74 698519.47 465451.93 695193.63 1008722.47 793410.47 1084771.65 683051.07 493381.84 331038.64 290250.45 942160.75 845612.23 429599.15 415841.79 510395.06 1165274.01 1094694.32 315351.71 352716.83 843140.52 445760.12 1087629.35 584396.46 762593.97 848390.38 725910.4 412943.18 285717.23 406723.07 681294.64 433903.49 154463.31 154046.27 723969.34 260247.55 254811.57 225729.9 457027.06 344665.19 498302.07 768964.58 738230.79 574809.93 671856.31 857843.33 945216.19 574865.06 697788.33 364130.75 461516.14 688555.64 683674.09 686817.29 686867.41 682124.91 683175.51 683602.69 684360.93 687118.61 (S)-N-oleoyltyrosinol 4692.45 2959.99 1506.36 5814.68 7580.5 13763.87 19925.24 5815.42 6465.83 3508.15 5391.2 5710.47 12601.61 10063.88 3248.73 7489.47 2716.91 7494.36 13563.66 8642.84 3643.41 10581 2612.09 2638.14 5316.06 5614.93 4867.08 3277.18 7523.24 3356.43 5826.59 20351.72 1880.19 6589 3081.04 10879.06 4275.64 7653.44 4630.78 6509.06 5099.06 12379.07 6612.42 5273.43 14432.32 11599.84 21934.82 9174.01 6899.89 17617.87 3920.38 4161.92 8613.43 8225.45 4862.66 3353.82 2147.98 2289.22 6217.71 5336.01 5847.87 5978.76 6870.14 6826.6 1602.25 6722.35 4876.33 4433.72 6998.89 9528.72 7835.59 5984.15 6595.22 8072.07 10090.61 7992.51 8065.56 8500.96 8460.29 8554.44 8500.16 8106.18 8064.96 6655.54 d-Myo-inositol-1,4,5-triphosphate 73907.62 44026.52 32075.29 28776.06 53093.07 51713.45 32489.96 54503.4 53601.9 90109.2 56249.84 70021.91 56766.9 65211.53 55442.85 53036.4 42679.73 52104.95 63494.65 59461.14 26045.96 30851.54 49695.47 47050.38 51738.03 50095.47 45042.24 52589.47 62256.75 32860.94 43620.11 37616.08 49945.86 43500.63 36349.16 74292.18 7855.53 52603.43 61062.43 70800.57 58586.55 87050.76 53007.18 52156.53 65784.07 36972.09 40331.08 59853.48 100759.13 79198.66 90549.75 94857.37 57891.29 47199.24 58842.48 63114.32 32632.29 25399.65 49309.38 42726.45 58302.9 72004.69 67342.81 22910.47 37175.06 81087.09 55364.73 62129.69 56491.08 39490.95 58719.38 43036.02 45094.81 42095.63 32572.95 51147.99 51290.17 48494.47 51193.17 51798.99 53745.94 51795.41 51189.83 51804.39 Poncirin 29481.06 14154.8 756.11 2099.26 13315.93 2074.62 4495.86 30101.09 29741.29 27887.74 7609.88 13679.74 8798.9 11494.07 18323.42 11925.43 1996.12 18452.94 17598.08 1087.27 23556.4 7850.84 6133.55 8367.2 34179.22 25818.55 16530.81 16141.07 33820.4 17402.07 28165.61 13239.1 10687.99 3782.26 2762.39 31315.49 24631.19 13459.48 13620.67 13961.47 22618.19 28962.67 5082.14 764.36 26580.81 8020.61 30956.59 12870.75 28144.68 21131.69 21295.04 10582.01 4556.86 10971.1 17372.66 14603.69 3447.36 739.21 20598.31 2921.81 1891.05 3391.1 8577.59 5079.26 10213.29 21358.9 13778.15 19296.38 21889.21 23141.92 27364.87 19387.16 13917.22 1872.56 8047.14 15593.23 14961.53 15545.32 14967.61 15535.42 14940.74 15337.14 10388.34 15571.83 N-tetradecanoyl-L-Homoserine Lactone 1620.37 5113.74 12500.95 11366.01 1242.77 7323.96 15189.21 3002.04 5303.08 5806.72 338.66 2219 3978.93 2573.75 2163.42 12095.92 4232.28 3461.15 1296.46 20499.65 5532.88 1232.89 773.15 1793.87 2334.29 1034.93 3311.84 2785.5 2341.52 289.37 655.73 3111.62 1359.22 3265.99 4484.19 3485.82 9064.74 8066.06 3690.88 3033.05 12995.9 7089.25 14338.84 4773.86 4001.83 13651.26 2448.38 19644.04 4437.03 6090.3 3984.2 5125.14 3450.14 3208.83 6765.12 10319.52 7764.02 4759.94 4487.06 10524.53 4143.1 8128.7 3560.39 8735.8 4939.95 2771.51 5176.61 4777.21 3932.61 5087.81 13651.36 5152.56 9135.12 2708.99 4362.38 11649.45 12033.32 12047.36 11456.87 12145.27 12052.6 11264.8 12051.17 12137 d-threo-PDMP 2292.49 6894.55 6603.91 1065.22 18450.14 2619.51 2580.39 2636.36 8624.05 7571.92 3468.36 1668.64 11020.55 3162 6847.56 4822.21 4055.14 713.88 36047.38 6826.8 5376.71 3047.62 590.41 10313.86 7333.68 2234.99 5795.78 7516.9 22376.59 1806.66 3730.1 6500.6 3606.17 10466.86 6795.7 11226.11 2861.84 1355.91 4946.8 3002.73 1086.59 3921.47 5845.19 1448.35 3173.38 9023.39 3772.73 12268.65 38811.8 10211.21 1789.76 3920.78 2036 8311.51 4784.74 6214.89 2377.41 2631.62 1706.13 2061.05 7481.37 8526.61 5981.08 5983.42 1832.27 6932.16 1158.68 5567.11 2011 5541.59 5956.66 7685.74 1413.85 7155.97 11523.85 2589.67 5106.7 2950.25 1285.93 2289.37 2089.76 1679.47 1736.77 2414.56 2569.44 2072.83 2587.28 2615.0 2805.29 2732.33 1530.04 2443.37 1590.72 2874.12 2898.5 2779.9 2697.76 1782.99 2659.92 2534.44 6939.58 6932.66 6767.29 6870.19 6938.94 6868.76 6868.34 6941.75 7063.51 Cannabicyclohexanol 856.56 1161.35 687.48 769.34 1536.96 2212.8 606.19 1568.92 580.65 2030.72 2033.77 2280.02 1199.94 522.43 690.8 1884.83 2208.36 1399.46 3788.99 2503.47 1502.75 658.81 594.85 2190.18 602.41 1278.29 946.7 1502.5 3239.45 2205.66 2239.8 4609.26 539.28 2893.55 3121.83 2837.54 1039.38 957.01 758.91 1119.78 1294.54 2459.58 1476.34 1809.36 1131.48 1121.18 2940.63 516.87 2981.62 3692.99 2240.79 1596.28 2170.79 3584.97 1067.91 1329.11 585.61 909.43 1137 636.84 1420.17 1167.47 1053.61 1286.42 1032.41 1421.37 1146.89 1551.98 870.47 2866.49 1202.33 852.2 1267.91 1510.32 3543.48 1447.36 1349.32 1479.71 1354.84 1544.62 1448.83 1370.5 1507.94 1260.09 Angiotensin III 9106.36 3020.29 2332.11 7204.5 12715.95 7577.94 13018.23 11262.83 9724.58 8977.25 6161.52 1852.61 946.73 3096.26 451.65 4191.32 10228.23 12255.08 7995.4 702.62 12246.05 13203.45 1701.04 3865.85 589.88 11431.2 4952.86 7326.11 9673.72 1985.78 423.3 11619.23 9848.76 12019.41 7919.1 5551.35 10895.91 9579.66 7571.53 5637.83 17642.67 9416.74 6503.25 7190.05 8290.42 10011.82 7087.55 5646.65 1356.78 3732.55 5911.34 11532.19 5958.23 8148.94 8274.16 12329.21 7767.94 5384.6 10938.31 10507.88 6673.9 7844.29 11522.81 7814.52 4676.41 10200.24 15361.71 4869.75 6928.25 12074.17 11349.27 10215.16 7060.78 8497.83 7541.94 11127.39 10467.96 11066.64 11332.85 11224.3 12193.88 11143.63 11074.59 11274.69 Linoleic Acid-d4 7292.51 5607.94 9191.41 4602.99 2753.73 4363.39 8419.05 5957.46 7708.28 11436.04 791.92 8896.05 2200.86 6336.04 6110.98 9784.83 8550.02 13457.65 7478.28 1824.07 4207.09 1541.13 2228.12 3089.41 5042.64 5099.53 10580.96 6920.39 1217.62 5598.32 9181.62 8247.25 4516.51 7227.31 7635.61 6205.9 7087.51 9996 14819.26 8211.99 7889.34 19907.67 3414.13 6923.02 2206.97 3419.99 3850.94 6393.44 7025.08 6626.95 7653.54 3782.03 7511.76 6072.27 3060.92 5470.4 2763.48 7803.03 6330.97 8303.96 11334.81 7566.05 6804.64 6709.9 7858.06 4541.38 5490.53 10726.92 6103.59 7075.59 7463.52 12463.18 6412.74 7729.4 6874.19 31015.04 25736.91 35729.44 29912.9 14460.23 37717.32 48311.52 32247.77 37948.28 35034.49 30419.82 37590.19 36875.74 26002.1 4490.93 36424.9 34547.62 34404.89 34444.02 31027.78 38071.38 36751.48 32817.3 34904.05 28359.94 8391.16 8389.53 8422.05 8659.81 8489.44 8515.88 8393.16 8624.4 8462.25 Prunasin 3265.71 3463.61 1023.08 483.86 2292.6 3330.92 4165.23 1667.73 1487.05 2418.52 565.92 523.43 1666.02 1517.95 2271.52 2486.47 3297.83 1798.31 3055.32 4688.51 4873.39 1969.35 1663.08 630.73 2065.93 1741.73 1197.91 562.72 2604.47 843.09 1586.88 4166.48 2350.06 1112.28 579.62 1907.27 2493.4 3574.61 1759.34 2680.78 960.96 893.82 735.61 1356.38 3491.59 1963.54 5179.02 3483.22 560.89 2114.21 2389.18 1937.17 1114.76 1095.16 1330.82 1506.35 364.93 764.62 3366.66 960.57 1702.33 1178.74 2459.18 1390.71 1760.61 2338.74 2808.13 2421.26 561.29 2205.29 5419 2172.17 2629.53 816.62 1402.94 4380.6 2887.77 3797.62 5083.05 3821.55 3827.25 4400.35 3084.75 4448.44 3586.36 2114.93 2937.28 3746.91 4206.42 3390.7 941.02 4321.46 3983.75 3189.89 4284.0 3741.53 3572.78 3648.66 3742.18 3328.62 3140.53 3307.16 3251.87 2908.94 3409.27 3342.62 3169.88 3142.28 3174.64 Lupeol 2068.38 2187.53 1894.45 1843.19 2037.23 1755.83 5325.11 1230.12 1856.62 1795.12 437.96 1866.62 10007.67 965.89 977.88 2656.47 2163.74 1187.23 2053.52 1263.05 1819.5 1194.26 2026.28 1671.31 1452.47 2772.24 2207.47 1166.94 5108.68 2067.82 1163.12 3977.11 1171.44 3552.79 839.48 797.39 1100.33 1398.87 1346.09 1881.57 2262.54 2547.5 552.91 662.37 1895.25 9408.8 2014.71 707.67 1653.08 759.39 966.82 1716.83 420.71 1574.42 1588.94 987.92 2382.61 1400.61 1568.86 1450.01 1623.32 1555.46 828.43 632.16 1009.77 457.89 1712.56 1073.5 1088.08 899.75 1325.07 1659.29 1720.59 3138.73 4940.55 1909.58 2092.15 1954.53 2003.2 2089.09 2107.66 1919.53 745.93 1977.52 5-Isopropylbicyclo[3.1.0]hexan-2-one 5729.77 8203.21 12438.4 13400.59 9853.87 10859.71 21152.33 9882.53 10030.76 10266.42 16740.13 9917.8 13078.73 12085.36 9531.33 17244.08 11362.93 7984.68 19881.05 9870.64 11899.07 9041.87 8953.13 12743.25 10968.54 9507.32 10828.4 12638.98 10152.58 8608.43 7664.57 14561.1 6310.68 18409.28 13956.49 7262.97 8211.82 8538.83 15740.62 12111.34 9611.31 14174.14 16351.12 11267.32 11712.48 13318.2 8334.93 16914.38 9522.16 16514.22 7232.99 8024.21 16631.58 17657.66 6608.86 9276.04 10704.65 7292.58 10591.12 6782.53 14095.53 9015.78 7821.19 17268.9 12436.96 8875.18 9248.8 9365.95 10324.49 7531.75 8569.48 10634.66 16872.01 18739.64 14747.09 12704.41 12368.45 12110.85 12574.59 12100.46 12517.79 12112.3 12101.28 12092.33 Quinic acid 8053.23 8470.24 7084.25 6611.51 2039.23 573.75 10032.67 6872.51 3561.08 5817.5 7475.8 5887.15 753.45 7014.63 12143.54 7695 6637.4 9760.52 3632.84 12460.34 9696.2 5478 4763.96 8051.54 8380 2352.68 6944.22 4878.31 6508.04 7066.73 7509.08 561.94 4568.64 5765.56 6523.34 4941.25 8647.74 961.94 7915.4 11875.34 5266.64 4545.86 9281.05 8305.14 6719.2 5292.99 11341.27 5922.36 5505.17 2439.71 4285.29 9078.18 8004.53 7407.37 1603.25 7499.54 7870.39 7020.27 7228.55 5411.02 7019.57 9146.55 8856.01 12098.96 7121.21 8600.24 5460.94 6536.77 6328.17 8625.34 8345.55 3295.97 9651.86 7420.44 8717.38 7179.4 6898.45 6660.19 6646.85 6865.95 6712.1 6791.53 5048.81 6800.43 Desmethylselegiline 487.31 880.78 533.8 2043.26 1857.21 896.38 264.56 1208.54 207.79 278.41 403.28 504.26 1691.57 546.48 1162.56 562.45 355.5 1247.75 703.94 1158.44 708.24 21999.65 297.5 794.97 1086.15 910.46 751.91 808.89 1116.33 469.1 458.28 760.31 1502.41 1242.78 473.11 943.21 677.12 459.96 426.62 681.56 541.3 598.53 1028.24 486.03 456.08 1155.38 874.66 525.02 521.89 649.49 592.48 492.43 425.74 1722.8 869 660.78 747.73 526.99 695.82 6492.28 1448.39 2548.16 667.46 1098.78 1147.76 934.42 581.99 569.62 538.39 692.16 1014.12 670.91 616.63 1931.61 1157.57 2298.59 2374.21 2304.45 2299.05 2232.51 2305.84 2175.36 2235.06 2267.54 Imazosulfuron 6219 2802.74 657.2 796.77 1913.34 1738.13 825.22 2147.46 5937.21 2884.06 1101.69 1209.1 1150.72 527.74 4492.61 676.69 642.74 2428.27 3111.3 6097.54 3011.99 967.6 942.67 1278.35 589.5 3064.22 1175.99 807.4 4907.68 1610.43 480.68 1896.26 3060.49 1573.13 882.61 2183.89 1629.11 1564.67 1040.8 1110.45 2566.64 3766.4 799.01 714.03 2126.41 964.37 4721.94 2995.37 1960.32 2813.6 2353.83 419.42 803.63 763.81 3375.43 1227.32 697.65 792.8 3504.86 1294.14 944.32 711.7 1628.19 1445.68 2784.58 2524.4 2111.17 2850.07 2821.34 4515.54 7053.18 2372.29 3827.26 1193.08 1072.18 2274.08 2272.99 2213.74 2238.81 2279.1 2278.45 2272.61 2246.45 2085.71 alpha-Amino-beta-benzoylpropionic acid 2720.78 3996.24 7043.15 10786.02 2683.63 3264.59 5800.91 4052.9 583.79 4497.67 3421.12 3465.65 9109.95 4813.83 3126.34 1161.4 1171.58 1593.95 4101.43 1042.74 597.46 2439.51 4421.8 5649.44 7240.02 1952.96 5454.75 11184.94 2305.2 911.36 2121.06 4453.19 1073.97 8239.85 6115.22 5359.68 3691.35 2903.79 6574.08 2720.03 1308.87 8339.86 4556.62 3763.98 3027.83 5277.12 1931.78 5387.74 7447.46 3094.02 9125.1 2615.55 7727.07 6583.67 4812.71 2716.13 4113.08 4907.6 873.59 2186.36 4210.88 4114 1874.7 5952.97 653.46 3776.12 774.01 3936.69 3428.93 1791.96 3008.59 3907.96 2764.34 4358.78 3857.1 2306.49 3015.7 2906.84 3126.08 3056.13 3093.67 3046.55 3166.68 3087.68 APGPR Enterostatin 2065.94 700.82 1035.87 2567.77 675.82 3930.63 2370.12 2327.03 2508.55 2394.75 1819.86 1818.82 1875.23 648.14 668.97 1146.99 2125.94 1845 1154.56 2218.13 624.33 444.44 622.68 507.76 1627.1 2803.48 941.53 896.09 1827.98 2003.18 3064.6 1545.82 588.54 1763.46 2170.18 957.37 3100.94 1515.44 1229.2 1745.8 1755.51 2364.4 2330.97 2204.07 3238.23 2634.7 3350.8 1439.84 939.87 3779.05 1526.55 3022.61 1382.86 2771.26 2179.55 3208.48 1193.69 1825.36 2504.67 5363.21 1888.78 1451.6 1404.88 1867.97 2179.27 2473.99 3938.27 1983.11 1547.72 2543.72 871.19 2225.34 2432.85 3668.46 2235.87 2432.49 1863.35 2348.82 2463.36 2391.5 2643.26 2432.26 2373.25 2332.38 8-isoprostaglandin F1α 77934.02 86586.9 119674.78 81271.58 114973.87 40311.36 106158.2 135684.72 153966.54 94615.85 90787.86 53217.85 82089.8 87849.48 89027.01 106206.03 80907.71 48592.21 171941.38 80443.67 119846.15 27830.67 126223.57 123612.08 119237.01 63024.51 115655.53 98905.67 118797.6 31285.56 36447.41 105312.62 67062.98 131975.02 108471.55 122930.81 108680.84 29353.21 109203.89 68037.27 49435.39 85082.6 111653.05 55939.47 87211.67 89107.52 107211.38 97931.44 174359.7 105874.08 105725.05 103621.37 109086.11 104865.25 117408.86 95540.23 87525.16 71265.51 77308.61 24576.96 105381.29 83048.88 139428.01 125702.25 67851.82 102164.64 58671.65 98523.45 46976.23 133885.5 95588.81 97678.16 95953.98 83703.17 101842.16 109396.59 105843.55 106362.32 105833.59 106794.17 106062.57 105081.97 106770.13 106781.81 Luvangetin 2163.74 1187.56 4948.48 4619.5 2135.92 2550.79 5497.14 1729.96 1358.84 2888.83 5597.38 4493.01 5228.11 4282.68 6420.92 4051.6 6069.89 1425.01 7804.82 1757.51 7608.79 3113.4 3664.11 3671.75 498.89 875.82 1623.73 4018.76 7714.43 2746.83 1415.16 3811.91 493.63 7401.58 5677.62 992.11 747.91 1413.77 4294 4355.65 2761.23 3934.5 4365.81 3324.75 1458.89 5933.95 869.64 3046.57 3091.98 2695.86 2626.5 691.81 5351.87 5900.37 1660.83 1525.32 4257.69 3261.24 690.99 1317.62 3365.09 4640.77 1410.32 4940.93 3158.88 954.52 3251.66 3927.31 3329.81 2413.11 6815.54 1300.34 3131.78 8012.33 3261.15 3694.57 3087.85 3282.63 3437.18 3388.62 3130.07 3416.89 3405.59 2339.44 Maesopsin 9779.27 4265.42 9117.71 7173.56 671.65 2240.85 2394.68 2241.7 2074.02 942.11 4005.75 429.25 2134.68 6278.5 734.77 672.42 2130.97 2350.29 1651.22 2270.6 6376.69 1287.83 4106.68 7020.83 1728.32 1416.27 4226.62 5522.3 1431.77 576.05 477.44 1407.45 966.83 6379.07 3193.88 1625.03 7067.78 1905.23 10234.19 3176.79 1536.27 542.22 3415.43 7542.84 1864.44 10265.31 1114.63 2260.02 2306.69 681.66 7029.74 6967.55 3601.06 3218.53 7176.09 2005.19 6216.71 3412.25 1083.93 437.94 5410.11 5942.79 9042.98 2843.46 619.75 5005.96 2407.65 1714.95 2540.04 1883.94 3523.7 707.85 11126.54 6029.01 3174.78 3327.89 3492.92 3421.01 3562.28 3330.89 3512.98 3266.78 3218.99 3316.95 Myristoleic acid 28742.01 30664.99 27365.08 33176.58 25129.08 30866.82 36238.24 55449.77 25489.13 26838.39 46054.23 24159.34 22024.36 26938.65 25151.31 24551.57 26275.13 26337.59 26038.74 24049.03 37722.05 21491.54 21842.98 27012.89 26183.03 26821.7 26392.47 25481.82 22346.78 29412.99 28077.84 27019.44 22942.7 26103.52 25737.62 27093.93 27012.28 26288.46 27873.23 27726.17 32653.8 28248.79 29153.91 27311.83 25551.26 29667.26 26110.25 25772.4 19760.23 25472.31 25231.43 25682.65 28304.79 26559.5 37268.09 26226.89 26597.62 28244.3 26978.77 26835.54 26957.83 25526.65 26282.14 25008.17 27450.63 29196.59 27084.27 27001.94 26701.68 24806.12 27725.89 26001.83 26119.6 24620.89 25227.27 26023.66 26047.4 26223.03 26039.44 25855.76 26017.41 26188.16 26022.37 26067.91 Pectic acid 2943.23 1325.94 1647.11 2468.92 1328.06 1000.1 3440.06 2881.84 1503.73 2142.5 610.26 1960.56 1329.9 3291.56 1536.69 1331.53 1978.9 709.02 1827.38 1023.86 2621.35 1186.65 2299.33 1542.81 1347.21 1057.39 1784.06 1917.82 1054.04 790.93 1162.29 845.11 724.36 1398.28 1995.24 1971.82 1880.9 1248.71 1256.75 1632.24 940.59 789.17 1815.59 2354.94 2020.74 1730.95 1197.96 1831.28 902.4 1548.57 1538.02 1879.45 1702.82 1734.62 1208.88 700.26 2220.17 1878.68 1160.28 1153.71 2074.14 2051.76 2120.4 1639.27 2655.62 2488.2 1736.64 1442.1 1057.96 1384.3 1417.24 1845.98 1254.31 1787.17 3168.22 1825.73 1681.22 1736.54 1960.36 1841.74 1587.15 1735.03 1831.93 1837.29 1-Aminocyclopropane-1-carboxylic acid 3790.4 3194.94 3017.76 4053.07 5336.59 1475.34 4138.14 2510.33 1070.2 3310.57 2561.47 3239.22 917.86 2825.49 3839.68 3387.82 3389.28 792.04 1241.43 3063.53 1460.55 2500.12 2153.89 3327.49 2948.73 853.99 2793.23 2309.09 5185.35 2396.73 3725.04 3324.49 805.33 3171.05 3155.26 2516.39 3518.8 3245.93 2701.57 2260.52 4877.93 2490.08 2961.38 2788.24 2433.43 7200.27 3116.5 1350.7 4501.56 3772.41 3182.65 2695.81 3345.33 1640.84 1382.6 2951.13 2274.17 2159.96 4278.25 3200.2 2394.55 1856.21 2503.5 3405.84 3812.63 2959.59 1708.7 3798.47 863.14 4090.36 1250.07 3481.64 2552.6 2923.9 2921.16 3424.75 3303.16 3420.65 3420.8 3290.81 2859.73 3351.47 3694.87 3313.74 4-Methyl-3-nitroaniline 6420.63 7449.37 6487.01 7333.63 6206.83 5040.4 7663.97 5337.8 5301.23 5129.28 5108.15 4917.43 6184.67 5632.99 6326.01 6535.01 5428.31 4785.42 5596.55 3587.5 5781.58 6479.27 4792.87 7453.12 5395.07 7207.64 7336.73 6056.96 6570.55 5486.88 6219.94 6813.85 5110.97 5715.89 7894.78 6017.33 5534.32 7588.19 7713.39 8253.55 5807.9 8246.68 7258.33 7911.23 5675.62 8473.68 6409.6 5886.47 8571.12 5966.04 5840.2 7739.61 5892.26 7833.22 7345.95 3751.61 5597.86 6625.84 6682.4 5251.72 5692.57 7439.36 5728.39 7370.67 7360.75 5524.2 7661.31 7521.27 6034.32 8417.64 8012.92 5315.98 6225.73 7897.89 6446.74 7168.09 6987.23 7162.83 6970.86 7178.53 6554.31 7172.65 7569.93 7165.83 Senecioic acid 5220.08 7229.84 5348.19 7265.4 8926.56 4534.45 7543.73 1556.47 8330.19 7157.26 6565.22 7120.68 6930.22 6978.73 6211.04 9808.41 6608 7079.8 4073.18 7425.72 6999.23 644.61 6607.53 7019.41 6481.65 5535.54 11547.15 6999.71 9210.35 4464.91 6305.01 10161.59 5337.13 8300.32 6910.85 7741.99 6840.06 1851.47 8042.62 5596.67 7454.34 10210.59 6612.76 6583.83 7451.75 7217.13 8112.89 9898.32 8653.01 9723.18 6303.9 7427.76 6863.98 8945.67 2931.11 6281.96 5686.63 4716.13 6278.52 4908.36 3333.88 6675.23 4953.99 7656.15 5875.65 6900.24 5682.04 8010.58 6594.32 6434.99 6533.9 7915.98 5507.58 6946.3 8014.4 5873.91 4909.02 5820.43 6291.26 5878.41 5655.57 5974.15 5642.73 5616.3 L-galactopyranose 1426.72 1667.82 1758.58 1192.31 2942.35 3185.22 1570.06 3069.6 1945.07 1451.56 1917.44 2249.2 3172.76 1511.21 2828.65 2137.8 1100.78 1415.26 1451.63 3434.48 3933.04 2030.03 1614.61 3445.27 2557.98 2340.59 2689.56 3134.9 1725.8 1880.54 2254.07 2538.12 2184.72 2422.61 1443.96 1607.13 2428.54 1993.2 2331.53 2108.31 1084.74 2464.85 1363.06 1651.47 2227.01 1093.17 1843.12 778.6 2422.37 2417.78 1738.79 2143.49 2764.64 1565.32 1458.46 2949.16 1336.87 656.02 1498.55 2137.16 1182.28 2136.91 1521.89 869.12 1481.26 2272.22 1257.37 1586.16 2734.93 3650.6 2564.3 730.92 1508.24 1826.07 2539.05 2100.33 2225.87 2093.41 1960.66 2091.99 2086.54 1994.9 1815.46 2113.78 Eugenol 3409.26 2974.13 585.06 686.62 3442.12 3395.88 3429.22 15670.73 4496.59 7222.63 3236.95 3280.01 1920.79 9080.29 20792.01 7086.1 453.33 46739.13 34722.91 9844.9 7126.62 9877.85 4238.09 4324.33 9199.53 4888.62 1069.46 2422.97 15291.95 3795.64 5724.97 29066.08 19474.93 4186.52 1016.14 25778.26 19483.18 4265.79 2608.58 3475.34 3538.83 12044.14 10724.62 4533.85 14006.15 2635.26 14195.97 11671.49 10237.47 14060.9 8834.36 17208.33 4181.38 732.35 5887.37 17704.06 3385.72 3535.24 23783.65 3465.58 2421.17 1575.53 8923.66 9091.52 10225.41 3841.36 5995.97 1536.68 1237.24 18464.03 3207.13 6962.97 12290.34 1947.05 574.29 9106.89 9018.58 9110.15 9107.29 9106.5 8993.63 8995.69 9097.46 8954.97 Quinoline-3,4-diol 647.25 1614.36 1036.34 1790.31 1908.92 3097.92 1589.42 3607.13 4404.71 1764.7 1428.53 488.55 505.7 749.86 1049.53 1387.15 544.39 2118.91 1164.5 2844.87 3123.42 2169.88 666.62 717.75 2424.22 3184.85 1024.71 890.67 1701.63 1150.79 3356.46 1052.04 1159.21 908.95 991.91 2803.08 2585.67 3264.94 701.98 696.13 2284.59 2497.2 855.78 990.09 6061.99 1546.23 2489.14 1418.22 1499.88 1304.36 1107.88 2034.99 1410.46 1159.74 642.31 1950.01 535.66 872.51 2477.88 1527.49 524.5 1159.66 1298.9 1528.65 1108.19 882.49 1249.61 665.45 1431.16 2180.8 4531.15 1437.47 1281.63 875.62 952.28 2001.01 1733.86 1824.46 1824.72 1724.69 1554.53 1908.63 1725.29 1739.63 4-Hydroxybenzeneacetonitrile 1005.36 2353.61 786.55 1092.91 2873.99 995.26 993.44 2622.67 2930.08 3677.4 1918.94 4880.68 2524.69 1819.27 2614.12 2245.77 859.39 2516.21 4829.92 886.26 2054.78 1994.07 2450.64 2606.18 2180.44 2127.19 3863.91 2408.23 2414.42 1377.92 1064.06 3680.68 2721.46 1299.44 1059.64 2844.8 1039.25 705.64 1907.32 2215.92 1210.28 2133.16 1735.16 826.88 1726.35 1860.3 2687.5 2924.44 1741.05 2609.06 938.62 2202.8 1128.08 1104.62 797.29 1308.29 1292.89 1491.26 793.37 1384.8 1246.28 3749.66 1986.5 1271.44 2356.04 2682.35 1850.19 3015.75 1882.7 1501.69 2254.29 3902.14 2224.6 1557.75 1968.81 5168.3 8375.77 9339.93 4150.31 7293.87 5874.97 8785.58 4930.09 6254.83 5782.56 4161.9 8061.61 5502.47 5048.99 5237.11 3854.08 9035.71 5994.24 5924.22 4948.69 9700.82 8014.68 6305.45 9784.62 4562.33 1276.69 1262.71 1388.84 1283.5 1279.59 1344.85 1473.74 1360.83 1097.38 7H-Purin-8-ol 3503.96 3225.15 4005.08 4513.91 3182.36 573.52 6341.67 5044.3 4495.96 3446.92 505.17 4546.1 761.18 838.46 3968.47 4031.02 3022.54 5080.48 575.26 1980.87 1188.7 685.2 2932.54 2123.65 3560.75 968.98 1294.63 3297.4 5255.48 2737.01 4415.01 2781.1 2546.03 1847.68 716.62 2859.84 4610.3 2023.43 1503.88 3786.15 2244.12 934.56 1831.72 2086.57 3172.84 4439.91 4246.2 2652.99 618.48 1460.15 3235.8 2733.64 1989.92 3869.66 2056.21 3626.53 3456.21 4510.78 3241.68 2657.45 2568.54 5262.46 5767.74 4171.82 1608.99 4714.68 1001.09 1953.03 3167.24 3644.54 3301.32 1764.25 3309.62 2699.18 5649.05 3250.46 3351.52 3183.29 3219.28 3135.28 3091 3268.56 3646.71 3359.45 3-Methylphenylacetic acid 9325.8 13010.57 4890.32 5066.81 7838.9 5079.83 7100.32 10653.48 5181.28 12964.13 6220.93 9056.87 10525.72 9164.96 12204.44 8302.19 6338.83 9922.68 12886.77 3558.48 2788.46 1338.63 6765.14 6777.15 13452.24 7072.51 11933.88 10012.01 13746.65 5715.5 4279.42 12054.08 9886.25 5249.12 4815.03 12229.77 7659.83 7230.32 6835.3 9766.73 3655.07 9121.64 6932.9 6493.9 6951.75 5971.81 8242.18 16342.63 8772.36 11090.58 6478.42 8878.1 6416.73 6703.66 7056.17 10927.9 5964.92 6450.49 9106.09 4897.7 5326.92 6763.98 7309.66 4716.64 8214.59 11205.51 5854.59 12712.42 11165.27 9158.65 8085.75 11081.34 7677.33 7940.76 7321.21 8192.21 8305.43 8278.99 8188.99 8272.94 8255.58 8282.38 7863.46 8242.51 Epsilon-caprolactam 230301.01 227658.38 225690.54 267018.48 263415.04 185237.85 269637.35 493101.3 217812.02 231561.54 253329 185907.64 186874.68 232989.1 210993.94 221569.3 239227.53 223795.03 211584.06 189411.64 204864.7 144901.91 173160.28 236804.13 239607.93 208057.48 245664.28 237371.33 221901.45 257705.09 236726.12 241547.05 165436.62 235587.68 261526.72 228451.81 216911.97 198778 253949.07 233614.35 240229.51 232178.22 233090.13 236829.13 214067.74 237450.4 214845.25 213137.58 243450.32 216579.64 214434.68 226229.97 228109.09 224247.71 220396.82 214415.75 205442.84 202607.03 205539.15 178482.29 223295.62 223363.56 212341.65 223038.65 227288.78 234237.19 207059.45 245035.22 226082.94 210054.32 206062.65 207301.53 219264.73 216854.94 219769.17 209931.59 209158.08 210377.03 210381.87 210142.2 210179.78 209145.25 216380.64 208798.91 p-Cymene 848.06 1149.76 7849.06 2559.74 6913.47 4691.2 10826.36 489.12 6881.74 1210.34 1119.72 1356.96 9741.12 1075.12 1236.86 2325.46 1942.28 683.09 1302.41 1058.34 1913.89 839.5 2056.14 1562.85 1499.79 534.76 1166.19 698.94 1737.91 759.05 341.5 1418.25 1975.28 1192.73 2861.5 3497.99 1332.69 1563.89 13545.42 1959.98 5903.83 2973.01 3794.54 1787.47 1364.49 5880.27 18129.56 2022.34 1430.21 2709.68 1453.75 2412.48 2904.1 1892.27 4670.75 3123.87 1902.67 6820.57 4454.12 1061.04 3460.08 2259.63 8376.58 3918.34 3842.44 1808.25 1880.66 1565.8 1921.51 1677.86 1183.54 1236.69 3352.69 1508.62 4895.75 4146.92 4890.64 5475.97 5342.17 4952.99 4357.37 4833.1 4240.33 6570.64 Chenodeoxycholic acid 31082.96 22095.35 66016.66 21976.17 23252.97 11241.32 16359.69 38207.45 30274.19 19907.6 23653.92 30345.07 20722.53 23784.06 24644.41 27514.48 22976.21 21114.49 46674.18 1202.92 37394.66 14114.63 28775.83 36251.97 33320.97 29778.77 13654.99 26155.2 47013.49 27746.9 7229.08 24043.43 25226.76 42728.81 32980.72 32115.76 28552.56 1563.75 28650.4 19246.57 2289.79 14624.79 41374.2 8194.65 16782.07 19912.38 32603.33 43361.35 40227.84 29123.78 23934.11 36894.01 40756.88 33555.38 37424.85 30783.9 45528.81 30736.92 32125.06 542.82 35294.77 29793.83 40530.36 58888.43 40484.94 23629.7 16207.07 25539.81 6781.47 42488.21 9001.5 20453.76 36455.02 34149.41 29385.75 7440.08 3897.11 16460.69 21331.24 10525.42 13169.94 11195.33 9744.86 14179.7 36029.24 12618.36 18894.76 14178.58 16232.87 3614.31 14294.31 17890.71 13891.09 9688.92 18067.76 15845.63 12585.95 11703.28 13918.51 34400.94 34332.35 34423.73 33205.72 34322.31 34428.81 33573.36 34392.44 32991.31 Anabasine 70925.87 70706.83 105254.34 109998.89 103769.5 82563.94 98469.6 82400.48 74957.16 64904.23 45684.78 48398.82 48111.94 74129.3 56868.96 57275.63 71769.65 53836.05 55376.72 85329.08 56668.85 50743.48 39640.87 101805.85 81592.32 97877.87 68920.28 87235.17 100962.58 88053.01 65468.76 95496.39 43020.77 82141.55 107002.02 84592.43 77702.3 65879.27 82360.55 90544.56 91847.02 108119.03 91973.25 91267.47 96152.03 67931.66 91803.11 90642.27 102552.8 77486.13 80128.5 110656.44 88946.64 111221.86 66081.48 93595.11 95010.4 86254.4 81445.13 83623.78 80947.84 66479.81 66948.79 90349.03 110886.83 65099.71 93339.52 102952.01 85097.76 98622.36 101888.71 65848.52 86123.68 66349.77 79567.81 87511.51 84927.03 81819.02 83535.34 83900.04 82215.43 84253.37 85139.05 80877.46 N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide 8392.26 2861.94 5193.18 4639.28 9265.38 8420.38 3644.56 8609.51 601.26 5111 5079.16 5607.97 4309.76 5575.18 7253.26 7126.87 4409.81 6954.95 6731.9 10381.99 10647.03 13983.87 2898.72 3121.68 8131.15 5107.34 3909.49 5982.49 7881.43 4352.44 7781.76 4940.75 5398.98 5655.33 4471.07 9087.29 5006.54 5357.26 3713.01 2148.97 11874.41 10788.69 5431.18 5464.45 6696.07 6072.22 8821.47 4004.9 7251.02 5392.87 8575.67 5760.65 4124.37 2369.11 4476.46 5759.5 3756.46 3897.01 8078.28 4354.62 2258.01 3671.93 4530.86 5087.22 5384.6 9314.06 7051.11 4769.44 6578.24 8578.78 5362.5 4423.01 5073.26 6009.98 5630.52 4315 5853.6 5663.02 5853.1 5785.93 5855.97 5851.59 6126.28 5583.26 Artemisinic aldehyde 5286.81 2968.31 1569.95 1814.98 4461.38 8807.21 803.38 5861.38 4997.08 5127.81 1992.84 4291.75 4288.63 5032.75 8816.85 1742.03 2149.3 3385.27 3956.9 5053.11 935.18 4867.64 2348.54 2509.71 5535.76 4427.21 3403.29 8739.02 4598.94 1693.24 3059.94 4610.59 6369.13 1986.36 4514.72 8321.79 4831.38 2287.52 2481.99 3078.33 4096.47 7617.37 2552.9 3687.83 4082.78 3421.85 6807.13 3383.6 5217.7 4376.32 8217.33 2352.63 2052.7 3989.41 5304.28 2489.03 2202.33 2008.65 3825.51 3391.19 939.09 4680.65 3162.06 1723.15 2643.35 4589.58 2626.83 3724.7 3539.28 4587.24 4228.71 3330.81 4397.12 3945.57 4530.95 4766.76 4616.47 4926.08 4742.11 4751.9 4570.94 4584.56 4578.19 4433.96 Aspartic acid 50827.21 50977.27 73198.02 49502.99 62805.1 30666.7 29507.94 63673.95 64964.06 45399.22 11211.03 45507.07 58203.8 51460.52 48382.47 46501.21 34702.84 49640.33 65609.04 48825.42 42056.56 28964.76 39828.47 59482.26 56057.52 72623.6 68085.13 59546.23 65348.21 44429.05 40773.07 58620.51 40563.56 67305.48 46914.44 76427.63 52293.87 18881.78 48444.82 40340.26 38714.42 43990.57 51907.67 39532.06 58400.1 30743.72 51945.8 54093.18 28118.48 35624.76 36269.72 39061.77 43981.71 27322.04 26352.04 49223.32 46495.33 25913.46 41693.87 19474.63 40122.42 42735.49 45460.15 42074.59 53961.93 53344.5 39263.48 68800.66 55289.15 54458.91 45380.6 42398.1 19938.55 27453.27 41487.58 50035.57 47577.34 48639.65 47934.02 48623.77 47911.57 48412.4 48612.85 48180.91 (4R,7S)-7-isopropyl-4-methyloxepan-2-one 1155.63 3901.11 3837.74 2644.2 3890.59 1842.52 3744.24 2898.66 2097.08 2540.64 2743.14 2683.08 1628.35 4370.13 3690.75 721.89 5148.3 2898.99 2680.63 17619.07 3525.87 2843.81 1670.35 3282.19 3244.1 2999.49 3049.41 2548.66 4051.57 2879.03 4330 4805.95 2839.59 2294.53 2655.23 2351.14 2247.78 1618.16 1193.93 2469.1 4099.82 3268.98 3806.98 4097.18 4125.49 3447.1 2368.74 2777.2 2874.35 4056.72 1740.34 3337.89 2122.37 2953.89 3194.85 3450.62 4864.01 3630.85 2110.64 3868.58 4906.33 2489.8 5293.64 2759 2724.84 3767.73 4016.12 2617.15 4292.03 4874.37 1643.33 6837.4 2728.87 3094.38 3966.7 3670.22 3744.55 4044.92 3669.77 3685.44 3598.77 3824.6 3669.81 3716.38 Dihydro-beta-ionone 979.45 970.98 710.96 1685.87 1004.69 1678.13 1694.43 1716.54 1717.3 1383.34 467.9 1287.85 2619.82 2456.45 626.87 637.79 441.71 592.12 727.12 2929.48 2110.15 1997.69 2506.17 894.15 724.44 1125.53 650.52 888.95 1239.78 1276.61 1725.78 3264.75 1210.62 1631.27 1185.51 776.85 804.64 1841.43 1251.75 1317.97 1624.66 2816 1825.33 1597.47 2641.21 3826.94 1249.24 2247.42 2129.45 4341.86 1998.85 2344.89 1464.74 2437.73 1221.26 1546.56 1689.3 1376.8 1048.96 845.55 988.3 2085.88 1634.41 1547.74 877.85 2287.46 2535.52 1222.77 1015.16 601.11 947.45 1253.78 1067.57 1580.81 2365.72 1997.08 1813.69 1982.64 1938.01 2035.02 1869.25 1992.55 2044.5 1898.98 9-Octadecenedioic acid, (9Z)- 16501.04 17168.98 16708.65 16407.93 27283.74 21148.92 12500.68 17244.75 16543.79 12303.38 18263.84 16360.66 15329.26 18391.59 16985.66 24749.88 19569.53 21738 14367.39 17854.3 16763.52 16552.38 11132.12 15743.67 19168.75 19464.42 15730.41 16920.33 30675.97 20645.36 22974.11 16765.37 20650.62 14924.58 19493.68 19140.14 19842.92 13515.8 8966.73 21928.4 5718.21 29828.6 12473.62 10535.66 15429.89 438.99 14426.62 14231.97 9077.77 26282.7 12660.61 18786.14 15219.38 14672.17 23549.71 19810.58 19968.8 17966.91 18578.68 8693.87 17861.97 10125.9 26008.49 15299.11 18931.3 14293.26 23177.37 18286.55 5007.14 18001.96 21916.45 12618.2 19466.01 14007.3 20376.89 21992.62 22536.44 22009.84 21128.23 22934.06 22589.59 22337.52 22522.88 21950.15 Neomethymycin 674.54 12556.21 3774.91 5645.98 33270.49 2560.32 3113.98 6801.95 4026.84 2351.57 1053.38 1894.47 4710.58 1549.53 1239.53 1118.09 4614.73 10966.91 2042.73 1408.4 1643.39 6267.1 1462 7981.51 10071.99 7144.53 6269.13 1364.29 10032.91 1679.65 8563.35 2606.55 1162.87 919.81 3750.29 4911.39 9784.05 1686.01 1197.72 7697.34 11089.41 8077.38 5973.24 1804.66 11326.31 2431.75 15098.83 5835.03 1765.39 5163.07 4367.27 2405.79 2510.38 5179.15 11640.48 10569.37 4867.59 7308.28 9388.77 16194.98 6114.04 2692.49 6791.54 6771.05 4246.05 14271.43 7718.13 7003.28 7988.57 8618.71 6442.8 8664.08 5529.36 8808.62 8018.6 7574.06 8626.44 7161.16 7511.46 7632.19 7619.71 7787.86 7775.93 7719.83 (R)-2,3-Dihydroxy-isovalerate 1762.36 2501.9 830.5 2453.61 1176.28 1137.21 1295.79 1817.09 1427.08 1812.27 776.84 2095.67 2156.01 2412.63 3712.13 2993.9 2140.57 2303.96 3699.87 918.96 793.88 660.59 1211.24 2208.66 3405.13 2010.32 2171.61 1496.96 1568.05 1860.79 843.52 2766.55 1826.34 616.08 1886.81 1819.65 1616.37 3035.65 970 3056.88 734.54 2033.83 2571.04 1362.1 1131.03 2525.76 1304.98 1857.91 697.12 1159.92 971.13 2884.87 1733.25 2155.64 1417.25 3297.06 1043.85 3302.73 1265.11 1858.43 484 2563.49 1114.22 2028.67 3104.19 2939.79 524.21 1343.8 1258.94 1715.67 799.89 1948.75 659.77 3437.22 1635.42 1866.84 1951.89 2223 1833.33 1830.19 1912.23 2001.01 1796.13 1791.54 3,5-Dimethoxyphenol 1029.38 2789.2 816.81 2465.95 1912.71 1974.22 1216.47 1909.16 802.07 1579.91 1269.62 1548.24 2503.62 2567.13 2448.16 1514.61 1799.69 1357.35 2766.71 510.47 1397.5 1494.5 1670.87 2769.12 1233.29 1277.37 2622.84 1270.75 2226.59 1479.84 837.25 1727.92 861.82 2309.9 2355.23 2382.48 2330.76 1950.27 2527.47 2534.06 972.62 2476.71 2425.03 2436.17 1200.01 2244.6 2114.6 3043.08 3166.9 1389.58 1048.61 2007.29 2329.89 2380.33 2480.35 2175.07 1244.6 2013.44 1907.96 1545.46 2365.16 2728.73 1369.45 2118.7 1919.12 2619.63 1560.02 3107.16 2385.41 1646.24 2206.37 2647.44 874.82 2734.52 2297.3 1888.23 2260.85 2263.55 2275.23 2289.16 2242.04 2197.79 2206.24 2208.56 Formiminoglutamic acid 11242.49 5516.97 12299.72 12296.89 9702.71 9432.33 7572.22 4895.33 6068.61 2082.99 9117.42 4237.53 5131.87 7112.78 5442.05 5970.26 4051.49 4431.75 4250.01 7776.84 10799.43 3073.71 5627.31 9773.12 3935.76 6649.68 5438.85 9789.76 3016.47 5178.56 11644.75 6134.04 5056.11 7427.08 8146.49 5115.66 6634.15 7976.09 10032.11 5065.52 8474.1 7562.26 7042.24 8239.18 7541.85 9959.47 4240.4 1902.08 7006.07 7366.73 8930.78 7939.22 4750.44 7090.22 6354.19 4696.75 7671.27 6457.16 3731.97 10180.33 7402.74 3595.51 9587.97 9587.53 4516.67 5252.65 13143.42 5217.58 3951.86 7243.02 4584.36 5451.67 7634.17 8698.89 15733.6 6317.13 6172.3 6495.95 6226.44 6542.28 6635.12 6265.69 7365.95 7383.84 (20R)-17,20-Dihydroxypregn-4-en-3-one 2719.89 1988.62 1199.31 1724.15 2886.61 1199.69 2389.25 2495.74 1076.91 1277.86 830.3 2662.44 505.3 1431.86 2148.11 2552.13 1380.98 1628.91 2053.72 3244.63 2526.14 1226.64 587.18 1014.51 2608.39 1158.84 1978.42 1246.16 2603.1 2018.88 2349.57 3763.6 1953.97 507.5 1059.62 2864.34 2762.63 1355.5 1429.1 2399.77 2777.62 843.84 544.85 1789.42 1510.29 5586.75 701.4 2131.87 1215.85 3335.93 1631.18 1544.76 790.19 1175.27 1829 1186.12 1039.79 1677.45 1285.03 2356.61 898.78 1118.95 1188.27 2196.94 896.14 2951.01 737.57 2637.74 1001.34 904.96 535.34 2214.6 1866.27 1463.02 1687.01 1513.04 1671.2 1671.62 1658.26 1268.36 1544.1 1710.8 1636.33 1889.84 (6E)-8-oxogeranial 1219.45 1084.89 3138.24 542.44 659.34 3645.11 4703.59 2620.84 2333.5 6480.49 3555.43 2867.92 3107.66 3788.53 2556.94 5888.27 534.12 1174.12 4936.66 2203.02 1868.17 2296.23 2907.59 1835.08 1398.67 1415.09 5230.26 4914.42 6182.49 1102.32 1263.97 6714.84 2069.13 4978 2809.47 2337.91 1424.38 2918.44 1749.94 4486.26 2781.42 3783.99 3448 2261.88 5230.97 3194.73 3221.11 4565.05 3251.11 3860.86 2252.85 1467.28 4964.89 3442.91 3458.93 1558.66 1464.21 1669.48 1738.48 2109.75 3855.6 1921.29 2376.41 2643.5 2080.27 3056.16 1839.68 3979.66 2692.18 2540.33 782.83 2693.8 2593.8 3454.03 5406.52 2715.74 2693.26 2664.01 2841.96 2665.11 2783.42 2858.3 3023.94 2598.6 D-Proline 5416.39 6895.43 11258.63 5705.04 5448.99 4651.7 19361.38 10428.85 8059.96 5308.14 6010.58 5575.15 5100.42 5412.51 13384.15 6274.03 4300.3 7742.46 8069.39 5779.54 8099.46 4114.68 4914.59 5807.27 5899.9 6725.05 5795.35 5595.79 5663.62 3797.13 4213.96 7367.31 5306.33 1950.94 4172.11 6604.98 4249.94 2368.99 2612.1 11275.25 2671.37 3371.11 6775.49 1720.3 5293.2 6076.45 7125.54 5498.26 2755.37 6565.63 1843.33 3895.35 4948.2 8428.75 3549.17 8254.23 12321.14 9440.59 2884.91 5403.48 4531.13 1748.9 7616.74 9509.15 8076.85 9199.07 2898.2 3989.73 8159.09 7107.55 10092.07 5276.68 2869.61 10187.39 5132.23 5703.17 5837.09 5570.5 5562.59 5559.04 5557.65 5714.98 5704.07 5559 [(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol 3202.9 1501.4 2154.41 3296.9 1643.78 1706.08 2782.51 2346.8 2181.76 3283.94 2662.78 457.82 2126.62 4655.12 1453.93 501.29 1143.09 1340.97 557.43 833.49 725.4 1707.79 2154.19 784.76 1316.28 1942.3 1530.13 2404.78 3030.2 1426.24 849.48 6623.67 635.02 2474.01 2341.52 4663.59 1900.74 1696.73 2405.52 1903.93 1463.26 6727.18 1892.92 508.96 3041.67 5841.08 1859.45 5084 2857.48 5708.58 4413.7 4418.18 3757.49 5243.97 2103.96 2365.66 1881.47 2423.08 1261.93 1905.95 1903.19 2034.6 2332.34 1831.32 1868.9 2809.17 988.05 1664.88 2410.27 1719.33 1270.26 901.34 2397.36 2343.19 4209.26 2504.49 2623.72 2197.15 2600.66 2511.01 2499.75 2611.94 2619.41 2471.89 L-Menthyl acetate 4936.91 377.89 3199.1 3835.37 3752.94 731.85 2985.56 3340 3349 3197.46 1847.02 2663.38 3278.8 3361.68 5306.41 8767.58 4217.51 3506.42 3933.34 3719.64 4817.32 448.33 2251.41 3199.43 1309.86 4059.96 381.05 2392.09 2331.1 2659.17 1521.17 4828.01 2578.03 1608.2 4407.18 1767.38 2288.78 1213.54 1011.32 2497.65 4070.04 3875.52 5388.58 3804.11 4390.24 6231.15 6100.55 6259.75 3310.43 2929.47 1468.75 2723.72 1788.24 3057.11 2632.7 5838.96 4356.99 3626.04 1615.12 3006.79 3903.68 2216.25 4692.82 4161.27 1990.25 4622.87 3969.44 4903.26 4835.17 3238.52 1420.5 2597.31 2075.67 4579.47 4641.14 4238.92 4598.22 5289.73 4499.61 4425.84 4703.19 4296.95 4593 4499.07 5'-Deoxyadenosine 1188.32 1318.37 4027.54 3047.37 2602.81 2423.96 703.58 1796.18 1139.2 1538.11 1603.25 4271.4 2520.09 4827.61 1331.84 2095.58 2442.56 1492.36 1727.52 2218.2 770.24 1926.52 3053.6 2717.47 3682.22 3009.8 1542.98 2435.88 3072.84 633.24 2288.69 2088.02 2203.7 2573.69 1432.49 760.83 2601.4 1628.89 519.38 2228.82 1507.37 1224.45 2507.91 585.94 533.88 2770.88 2298.04 2282.37 2772.9 591.04 2864.42 2233.97 4331.82 3258.88 1657.35 2010.17 2839.05 2903.3 1152.49 2734.73 3429.07 2490.28 1750.59 3511.7 2764.21 2823 672.27 1088.52 909.3 2025.35 1583.47 2405.8 2085.3 1709.93 4267.64 3254.88 2761.67 2500.43 2363.28 3061.15 2783.4 3092.08 3060.1 3038.56 Allantoin 2604.24 3727.28 3174.01 4076.96 2557.85 2752.83 998.2 2847.81 3948.55 2908.12 1059.68 2070.53 1497.67 3693.64 3169.54 3275.56 3248.06 2735.13 2211.39 2968.01 4252.91 2912.51 1370.96 2702.24 1691.95 3626.88 4701.31 4096.46 3264.55 3357.66 3594.15 3606.74 2838.22 2771.56 3805.44 3832.05 2557.76 2160.14 2768.84 2713.23 2724.32 2643.84 2241.7 3653.69 2232.79 1954.72 2912.9 2037.72 2542.24 2981.91 2323.57 2911.81 3978.76 3086.8 2055.51 1913.42 2060.5 2408.39 3329.31 1984.05 3347.88 2540.75 3250.52 3702.18 2677.68 3454.99 3300.64 2807.38 2781.39 2518.27 3725.98 2442.86 2617.29 2839.56 3322.88 9272.01 14008.08 13219.17 8632.7 17433.28 11363.45 11457.42 16252.94 15223.54 11821.45 9269.4 12465.03 13619.1 16343.04 11609.61 9437.26 14398.29 9812.68 19003.49 11384.98 14841.11 14839.12 10998.78 12926.98 15017.0 2766.34 2980.07 2926.34 2921.48 2133.27 2789.59 2913.03 2782.23 2809.92 Farnesoic acid 1260.72 2595.75 2586.4 1623.34 1660.17 1639.4 2884.52 453.27 320.34 1946.84 1698.43 1595.58 2092.52 1939.91 1570.53 1893.91 1616.73 1448.89 2106.65 2225.25 1482.41 1589.19 2546.47 1456.29 2103.01 2042.77 876.45 2228.7 2337.65 2074.73 1251.5 2311.33 1355.83 2645.43 1535.14 1517.58 1421.41 1112.06 1988.58 1510.91 1332.55 2029.72 2148.3 1887.13 2289.75 1697.41 1866.44 2278.55 1408.38 5390.35 1760.09 1150.96 2475.41 1993.73 1853.49 2909.24 1509.1 1966.84 1664.68 1558.77 1525.15 1061.67 2018.04 2729.26 1405.23 2190.02 2024.72 1290.3 1452.7 1142.09 1675.59 1935.11 1772.99 2472.45 2000.38 8482.55 13098.09 5371.4 9090.6 11432.51 7930.46 3032.51 8979.75 11125.24 4589.25 5024.52 11183.16 9008.54 9044.86 9227.79 6692.39 5139.98 12129.98 9997.22 6981.63 6094.48 9149.13 9102.34 12341.93 10232.88 2889.27 2664.19 3256.02 3439.41 3949.64 2893.63 2807.08 2927.85 3724.64 Dolichotheline 6871.87 6105.09 5121.82 3343.38 2971.16 5231.21 2118.53 2943.05 15497.7 5572.45 3674.38 1131.4 2924.04 3316.82 3908 2364.16 3815.79 4035.29 4072.56 3986.1 897.97 1150.37 3468.67 3698.09 4488.6 6011.42 6713.93 9618.07 4416.42 6067.1 6573.94 1064.68 4828.57 5783.77 3608.02 5103.11 6056.54 10561.67 7466.33 6815.6 3437.98 4695.51 1965.5 3942.8 3706.12 668.99 4392.83 3151.13 1271.17 2433.12 4494.43 4594.19 4868.97 835.11 4470.83 6111.85 4209.64 4545.37 6521.04 5946.88 5939.52 5591.33 4966.56 4596.57 3054.65 3087.93 3701.67 4291.37 3274.56 5463.18 9039.96 3575.39 5163.46 2911.35 5413.12 3988.59 4852.03 4263.78 4218.88 4020.61 4232.58 4164.4 4017.85 3926.84 Coniferyl acetate 9691.6 11556.16 10795.57 12141.06 7596.39 7534.44 8739.07 11005.18 11397.47 11566.95 9730.61 8969.4 8535.64 10482.58 10048.54 10994.04 9366.55 9613.41 10794.57 10076.84 9874.11 8398.53 10264.26 11145.26 10019.1 12249.82 10727.78 10231.44 10670.04 12976.12 9576.84 10128.95 9854.39 10192.97 10613.3 10862.12 11321.33 12913.18 10374.8 12443.65 11888.65 10552.37 10818.94 12864.91 9740.33 9118.31 10283.74 11254.44 8738.28 9704.74 9961.24 11375.45 9730.95 9529.4 9546.94 11605.73 12489.79 11617.75 10081.78 12887.37 14418.29 10462.69 10775.32 11505.42 9193.81 8882.79 9834.68 9949.41 11331.3 12422.95 11401 11801.44 10250.06 11056.41 10535.19 11500.19 11446.83 11640.08 11441.84 11445.44 11696.41 11464.29 12718.53 11140.61 Spermidine 45559.5 44673.56 43280.04 42793.53 48836.32 30473.3 40252.99 48614.88 38686.06 38204.88 13713.26 22453.29 21902.8 35138.21 32803.77 33386.95 30386.06 32280.73 39333.35 32356.84 39403.86 19058.22 24012.45 42347.95 47840.24 42217.61 45579.24 47604.54 50334.83 35473.79 36710.22 42733.2 23221.41 45876.98 41225.11 48179.76 42626.36 21700.2 38139.54 33094.91 29904.53 31757.41 40557.64 34125.86 39259.75 28885.22 42254.84 38598.66 25712.74 32540.93 29871.32 32603.51 36121.29 28648.28 36610.77 38845.98 35673.82 31291.64 33344.44 23393.19 32968.66 28214.67 34230.9 36118.51 36407.9 36849.85 33105.94 43207.94 43342.22 45871.31 34691.15 32208.99 21698.88 27498.87 35131.12 34446 34576.37 34578.85 34376.8 33985.56 34834.23 34515.24 34378.61 34379.74 Tyrosol 10980.85 4917.85 2986.15 6517.48 45518.62 13349.54 11682.96 14244.08 8550.14 7425.12 4700.37 8026.93 9292.52 5909.3 4533.58 2539.31 5588.63 8530.57 8697.83 7057.6 17866.95 6520.04 4442.25 3032.8 11921.39 9397.69 8151.76 5357.29 14900.09 5356.16 9999.77 38114.35 6515.97 7293.23 6285.05 8904.75 7582.63 6101.29 3319.9 2668.54 7433.96 18660.14 2271.08 4264.24 13985.32 9832.78 5897.78 4781.94 19891.44 15430.53 33127.99 6033.58 5465.91 9001.25 12850.1 3531.42 2203.44 2050.53 19260.01 10982.58 3733.98 6105.37 19541.12 2478.28 1212.35 15502.33 2680.92 5617.15 4743.52 6430.95 6714.49 6651.17 12522.77 4342.13 7542.52 9612.5 9317.54 9377.6 9348.4 9410.34 9411.47 9240.76 9411.88 9354.8 3-Hydroxybenzyl alcohol 5081.76 4427.19 6532.97 7115.1 6468.8 4260.33 9743.32 6256.94 6243.77 4596.05 5437.93 6476.44 7240.3 5326.12 5936.66 6181.8 5127.2 5335.46 6131.13 5557.94 4343.38 3582.19 4776.72 5875.71 5756.45 4062.11 6339.12 5656.98 6563.45 2420.19 3942.46 4947.21 6319.71 6594.25 6226.23 4753.6 5474.95 4400.6 5747.92 6020.43 1781.42 4081.25 6645.38 4470.78 4969.66 9413.03 5185.68 4449.28 5986.24 5244.7 7536.42 5033.99 6253.29 10212.57 5488.11 4316.5 5944.99 5506.39 4168.73 5529.41 4929.7 4571.52 6350.31 8512.8 4594.37 6112.11 4639.06 4471.28 5099.37 5546.01 5331.07 5208.2 6750.23 7768.49 8104.54 5704.94 5727.94 5694.98 5918.77 5759.29 5707.67 5693.58 5673.3 5760.26 Methyl sulfate 58444.79 44331.78 48813.99 48856.03 40318.74 55426.03 50251.16 64837.26 60464.07 60480.87 55022.6 41988.4 38807 60860.83 39432.83 53642.25 61219.95 54708.52 47603.49 47495.98 59664.04 44246.64 52257.81 44444.15 59295.96 38543.04 61473.41 65592.33 50137.64 60451.59 31948.95 40497.7 53795.49 54736.18 49051.69 59754.97 59724.04 66442.18 49082.68 51414.36 63004.46 51040.13 61774.24 64855.39 56232.42 40010.99 55976.76 62615.31 44916.47 51198.08 57695.69 37056.16 60420.14 47024.96 54257.62 43279.91 57953.42 61960.8 57664.36 58570.35 57006.13 37668.63 55131.05 59843.38 44014.13 54906.92 33703.06 44264.37 55914.12 46159.63 49879.91 54739.71 63295.04 53638.85 54506.05 207577.81 195632.16 191945.1 201121.84 191828.47 184780.03 195248.99 190791.97 179096.53 190493.99 210382.96 196967.5 182120.76 196259.83 187191.88 166392.66 191680.2 182178.93 180505.8 172543.57 132070.85 177308.89 176070.74 176822.82 176274.23 49701.87 49458.73 50635.92 48868.07 48895.48 49966.14 48787.41 49103.71 47352.16 Methyl farnesoate 4428.36 4715.64 3169.19 5722.67 18090.62 8888.95 2460.09 1111.3 3153.36 4917.36 3533.91 6507.08 4654.6 7030 5742.92 4032.26 5563.6 3739.03 4702 6642.87 3777.43 5544.28 3454.79 6250.12 4777.65 3571.86 4050.11 6504.48 5042.89 5471.84 5259.88 4318.17 4567.53 3640.68 6459.86 3574.83 3018.22 3697.89 4800.53 7753.86 7426.39 2852.89 8288.44 6626.34 5823.17 4924.81 4933.01 3441.5 2674.83 6082.54 5858.11 3176.87 4918.9 7581.43 5366.7 2249.63 3358.32 5114.65 3672.79 6198.7 3330.08 6926.17 5969.1 4066.13 11354.45 5194.72 3890.37 5935.81 7073.78 4884.61 3814.43 4715.35 10054.66 13822.07 5340.15 4495.98 5303.64 5219.62 5032.83 5223.66 5002.82 5239.3 5116.71 5239.51 N-Acetyl-L-citrulline 2458.05 1459.88 2133.13 1006.6 3735.83 1383.27 485.64 1861.86 3683.69 998.62 533.98 3746.06 904.67 641.33 1025.48 1475.65 1410.64 1233.34 2503.96 2135.93 3597.39 631.21 2015.81 449.43 1169.03 2560.32 2125.25 2238.24 1402.06 814.3 1279.7 1812.16 1370.91 2358.08 2326.49 2567.14 2993.64 1510.32 1922.18 1505.13 1645.87 1529.44 1759.29 1739.29 3490.7 1581.62 5001.43 2419.98 1893.7 2611.13 3131.28 1220.79 1727.62 2039.2 1029.62 1268.26 2276.72 2921.31 825.58 770.67 2199.69 2138.74 1038.17 751.65 2355.85 1137.04 2160.99 2920.61 2113.76 2037.31 2727.13 866.67 1790.25 960 2307.84 2612.57 2625.89 2718.25 2604.15 2730.2 2716.3 2720.92 2015.28 2630.69 3-Methylcatechol 5591.65 12210 3779.02 3809.48 11682.56 14484.06 14772.57 10742.44 16598.08 8295.37 6667.26 4765.88 22222.18 16236.76 13030.95 11010.91 10053.56 12038.4 20404.05 7503.03 5845.2 8222.27 6958.26 15235.29 9187.54 16320.25 9968.34 10149.42 12827.02 7935.52 7106.43 11730.5 12322.71 4391.38 18542.98 9313.58 7824.44 10104.22 8625.44 11379.06 7384.59 7844.88 12430.23 12839.98 23399.67 19399.77 7394.07 13496.75 7161.84 11768.56 6585.51 9509.02 19911.51 13405.12 11743.19 13567.66 4930.99 10321.78 7501.72 3143.21 4132.96 2489.61 6447.84 11904.71 8515.6 7742.41 4218.49 12931.35 9764.18 9511.35 9708.58 13877.65 6329.69 18803.94 12221.23 8868.47 8867.74 8849.51 8869.25 8810.26 8813.56 8814.71 8990.79 8832.96 N-Acetyl-Neuraminic Acid 5724.26 6376.09 4950.16 14155.58 2983.75 21111.45 15536.65 4545.02 10727.67 5906.56 3915.72 9187.5 6669.16 2424.19 3648.17 10149.14 10056.28 10459.92 5889.97 4162.75 13980.94 7899.55 5792.7 7299.07 6818.73 11821.23 666.5 2583.11 3382.43 1143.52 7616.08 3408.31 4720 1929.48 10211.31 5318.2 2634.82 10623.07 1676.08 6526.24 7330.97 1577.59 7765.52 10959.73 4902.53 12460.56 8913.11 6252.46 1313.7 6720.38 6988.79 9674.54 7267.11 12714.73 12338.97 10850.52 25667.57 14044.15 10717.52 14538.69 13212.49 2535.9 9525.1 11010.84 5639.44 9438.1 14462.35 6848.2 11064.72 7304.01 1989.12 8089.32 8714.52 10924.76 22525.58 2713.27 4638.27 4387.45 3658.41 2418.06 3943.45 4088.7 2857.76 2524.2 3943.95 5708.23 2758.34 2763.43 3497.45 3964.13 2488.53 4667.95 5042.18 5058.48 7265.48 6314.49 3746.34 4476.39 4385.07 3337.47 6330.34 5987 6092.53 6553.31 6049.72 1546.29 6860.2 6534.03 6162.36 Juvenile hormone II 1772.72 967.23 1026.58 3588.08 8747.56 7936.87 5861.07 197.64 1223.57 1552.57 333.98 2027.02 4084.66 2402.87 1895.14 1285.88 2310.32 1263.98 686.04 2086.66 1012.68 1542.76 721.35 2048.98 1724.79 1094.77 1329.93 2262.2 1641.44 1004.66 2650.93 1510.41 1222.98 1210.58 5748.14 2384.53 1831.89 1588.88 1398.11 2288.13 4523.66 1798.19 1413.92 3988.01 1868.96 9973.14 1961.26 1059.21 1311.59 1769.98 3653.71 667.68 2275.07 3760.85 4080.9 2366.26 1265.8 2882.33 1563.01 4983.18 901.75 2937.39 1747.02 559.04 3053.84 2554.74 1476.31 1463.68 3537.14 2073.64 1208.65 2013.38 2338.93 4746.59 3160.29 6026.71 4363.75 7217.21 4826.05 5343.45 5410.7 5259.2 5805.52 5480.45 Methy Indole-3-Acetate 1005.77 1178.76 791.26 965.62 460.1 942.23 1270.83 682.83 859.98 1102.99 1227.02 531.58 1213.72 508.99 1971.4 698.79 994.24 967.99 1198.59 542.05 784.84 658.34 1402.16 1462.26 1247.57 812.76 770.45 624.17 790.36 1123.27 894.7 957.83 809.89 968.99 924.63 1381.47 879.44 776.19 540.52 1204.32 850.76 1026 1364.41 868.6 578.59 1050.92 865.96 1596.56 609.43 707.43 986.55 1516.29 868.65 1474.88 832.04 1362.14 1160.49 1632.11 699.36 653.8 559.34 1005.91 1146.22 884.75 1383.17 474.2 1000.3 1848.68 1309.43 1095.2 1200.39 921.92 1985.17 1761.47 484.45 1111.86 1095.35 1341.74 1091.14 1168.35 1065.32 1092.15 970.8 1066.34 Benzyl alcohol 1114.53 1335.99 1417.46 1879.34 1877.61 1682.19 2446.88 2479.88 2707.83 1853.06 1575.49 3395.77 4271.5 1677.97 2082.27 2769.77 2045.56 2326.82 6071.17 741.59 1370.67 1446.36 1539.48 2046.04 1371.37 1494.91 2005.52 1717.13 2613.87 2132.74 1015.24 2378.2 1361.51 973.97 1821.34 2294.03 584.35 2488.19 1157.15 1705.66 545.07 1108.15 3376.42 1993.53 1318.42 1415.89 1047.76 2825.16 1213.4 1091.05 1748.94 2585.55 1105.77 1552.18 1020.38 1627.65 860.24 794.07 558.07 646.22 1253.56 1040.27 1200.46 1792.64 1547.23 1379.52 2111.2 950.83 2382.4 1576.01 2321.61 2082.8 906.02 1747.71 1489.69 1886.59 1865.68 1808.68 1303.59 2036.47 1868.13 1830.85 1890.38 1888.2 5-Hydroxyhexanoic acid 2010.71 2494.82 2941.68 3685.37 3012.27 1897.59 6136.56 3189.11 3456.76 4148.73 4730.72 5175.99 5231.59 4107.57 2992.23 5098.4 3728.94 2426.26 5441.14 3158.45 2974.33 2433.96 4143.71 3865.09 2611.28 2592.07 4462.1 4577.76 3303.74 2442.59 2545.53 6687.62 2208.76 3970.9 3722.81 2517.73 2264.81 2624.61 3627.03 3542.38 2449.81 3043.13 4333.84 3321.23 2847.87 3922.68 2869.72 4709.9 3855.61 6212.32 1311.5 2337.94 4274.32 4445.77 1750.62 2377.12 2814.68 2568.27 2228.68 2248.89 3120.83 2669.01 1262.14 3402.2 3113.15 2414.46 2791.55 3970.1 3737.38 2609.44 2689.91 4004.36 3872.46 4013.39 4647.4 3513.21 3294.61 3287.42 3259.4 3303.58 3252.49 3178.51 3253.53 3270.26 S-Formylglutathione 2481.43 1205.25 946.97 1125.99 2428.55 1808.82 1513.65 5301.81 4603.08 4006.75 3363.4 3004.55 742.67 648.06 3542.08 1360.99 1198.63 4005.62 1973.66 1673.62 3981.48 1474.4 1337.58 3748.69 3812.63 1073.05 3094.87 480.61 1172.47 1815.85 3380.98 1183.92 3064.46 1195.26 2463.04 5892.09 2034.51 1234.01 3695.17 1260.8 5250.69 6886.29 2241.98 1163.57 3357.41 1225.68 4921.15 3187.9 3054.57 3231.03 918.06 1223.69 987.34 1512.84 2492.58 1960.34 1116.1 1146.89 1650.1 1067.94 1256.02 1166.12 1472.74 2074.92 1290 1862.69 1959.35 1294.99 3833.72 1930.89 1217.65 1839.24 2102.48 891.75 3354.91 3772.46 6445.34 5973.78 3246.52 3411.08 4803.81 5061.94 6196.77 5245.03 5573.45 2573.71 4054.74 5758.56 5496.88 11300.38 2330.65 4418.6 3578.63 4497.4 5620.11 7101.85 5166.0 4987.57 3979.64 5166.75 2059.66 2387.51 2275.87 2907.67 2296.98 2215.13 1782.12 2274.7 1565.36 D-Glutamic acid 1600.79 3465.75 2422.94 6401.87 4607.09 2575.59 8267.37 2247.98 2942.55 2438.41 2670.02 3496.97 5239.98 2401.22 1305.01 2472.16 1433.2 2003.85 2051.63 2013.89 1756.66 1280.44 2358.64 2292.04 2153.6 2396.12 2769.56 1964.32 1282.34 3048.84 2190.42 5392.32 2103.7 4228.58 3647.03 1458.18 2017.42 2629.69 2914.83 856.67 3150.48 2264.37 2495.22 4745.18 1819.12 7483.62 1703.58 3068.97 1176.25 3848.72 1951.36 4426.73 4077.2 4642.88 6490.31 2677.42 9156.38 6442.74 1935.7 1862.54 1092.38 3332 2237.6 2295.54 1202.65 2468.14 3247.88 3412.64 3435.15 1890.9 1431.92 3064.01 1745.97 4552.78 3108.32 1407.34 1691.95 1532.68 1452.78 1524.41 1401.27 1396.78 1547.55 1462.02 Feruloylputrescine 2448.74 2701.7 2272.16 1052.21 1032.88 637.42 1469.84 6676.84 5298.89 4691.77 6333.18 1897.58 2005.75 4097.1 3768.89 1467.04 3461.31 4057.66 4131.69 4640.82 809.4 2208.47 1949.59 2315.69 761.77 3843.61 3064.8 4676.94 2771.89 4157.54 921.79 4558.41 1679.68 2094.7 2090.11 4347.8 6091.71 3966.75 4345.3 4914.15 2320.57 3242.24 5542.75 4205.77 1854.65 2001.76 4670.04 3341.36 3629.05 3198.12 1434.84 3343.47 3748.51 3048.81 4924.05 1626.5 2107.03 5047.35 5954 3243.57 2131.19 2349.03 4173.82 4646.6 4918.7 2690.73 4784.93 2376.53 4261.9 2933.88 5643.51 5662.35 3562 3374.59 4058.17 3484.56 3542.55 1912.43 3485.08 3282.14 3549.19 3542.08 3335.6 3431.47 Val-Ile 2765.54 10669.58 12788.72 6513.95 26531.35 4361.14 520.61 23301.48 40592.03 935.08 5125.86 17973.94 3267.68 5293.53 15488.53 8182.91 2655.27 21761.99 9529.79 9327.04 3968.98 7803.79 1870.81 4354.57 9866.23 31465.55 9202.03 4378.45 13799.67 1284.14 4072.84 7634.52 31576.22 3643.07 10091.19 17246.14 7030.68 4402.18 3046.37 17766.81 2124.16 4785.95 16658.83 1251.24 5731.31 5563.36 7827.83 3645.36 6226.43 4289.68 6502.88 5042.64 11206.03 18415.03 12361.35 5498.69 6076.3 11683.93 15709.19 9742.48 1359.4 2306.85 18213.91 17033.69 20627.03 10298.95 3999.45 867.28 2649.19 34621.91 23747.8 2835.15 13437.11 23502.03 1904.97 10283.66 10646.63 10351.42 10663.17 10531.49 8074.17 10703.66 10309.8 10566.83 1,2-Bis(4-hydroxyphenyl)-2-propanol 3801.02 3213.94 2701.41 1607.1 3779.55 4773.32 6849.01 5800.56 1732.03 2821.47 2404.49 4246.9 1980.77 3277.49 6766.14 3849.47 3977.27 2977.49 3967.93 4564.32 6628.85 5635.69 1923.26 2026.1 4490.92 5923.33 4099.29 4156.84 6522.82 848.15 3245.75 784.59 2693.41 2940.06 4089.43 2587.32 6193.43 2537.53 3472.44 2860.12 4896.62 4118.34 3624.75 1127.61 7138.98 965.53 4228.17 3375.17 1925.14 3788.21 4034.63 4662.38 3933.49 4428.77 7915.11 6598.68 2992.79 2713.69 4879.07 5791.39 3566.48 4346.42 8029.9 2141.58 1165.8 2894.6 3512.38 1999.35 2219.96 3681.2 5144.58 7562.96 2264.24 2996.51 2972.38 2005.92 3648.03 1778.76 748.16 2275.76 2007.48 1686.38 1620.21 1773.45 1584.24 1466.45 1846.94 1670.57 1815.32 899.52 1332.78 2108.13 1905.23 1760.94 1611.41 790.0 1230.65 1305.59 1306.38 2964.73 3099.25 3020.68 3443.39 3317.42 3112.97 3331.35 3325.87 2660.44 Isolithocholic acid 3211.18 806.39 1850.97 1753.52 2608.93 3068.61 976.3 4000.56 1101.68 3354.17 3018.03 3266.85 3393.25 3474.48 3251.78 6153.75 3704.36 1551.41 7095.63 3188.59 1251.46 3413.58 6431.8 5212.46 1299.84 3524.99 3297.97 742.92 8409.28 2706.85 2303.77 1133.84 3060.55 2687.31 3912.68 4734.39 4509.36 936.11 1180.47 3579.96 455.81 4206.94 2572.26 630.53 2267.35 4864.81 3958.78 5225.46 5832.69 1192.06 2542.04 7277.25 3337.1 4743.31 8869.26 3930.82 4064.42 1738.52 5401.15 2934.87 5443.87 3043.62 5029.3 5448.95 4679.49 2029.8 2642.33 2172.8 3130.19 5669.39 2111.29 1365.52 3012.86 3688.75 1264.2 1106.22 3414.7 3553.82 3813.78 3313.13 3766.13 3713.66 3600.15 3717.88 Allantoic acid 14131.94 14769.42 17167.5 14703.65 15363.99 11106.03 9145.46 12496.12 19517.9 17852.42 4273.44 12729.08 15191.76 15514.3 15098.72 14101.98 13373.47 14667.26 16001.79 13532.28 9193.61 10687.62 12648.55 15257.89 16105.88 12555.33 16967.1 13422.34 19054.67 13001.21 12933.22 16037.59 12796.18 16592.43 15400.68 18407.02 15835.11 8173.81 15323.44 13302.66 11709.91 12493.83 15425.79 13825.01 16027.41 12282.81 15324.3 13972.95 10430.81 12070.93 11523.13 13128.11 14329.87 10661.61 8107.58 14258.45 12522.11 12831.67 14187.81 9879.33 13214.82 14090.95 13787.48 14039.06 15018.54 14337.05 12632.43 17818.03 16335.66 17674.79 14086.42 15372.46 9680.03 11608.72 13943.22 14748.35 15036.14 14750.29 14880.84 14543.4 14752.66 14839.04 14960.21 14670.15 Polyethylene 3946.58 6619.31 4095.4 3962.31 4958.13 5778.5 5645.12 3760.23 3084.33 5999.89 3445.59 5942.32 9380.74 5129.63 6113.87 4732.11 4311.78 4656.39 7907.02 2828.17 2795.79 4195.81 4144.22 4398.35 4136.98 4377.17 5912.64 3563.81 5192.7 2870.79 2570.17 5496.61 4711.69 5792.59 3906.14 4865.32 3561.96 3178.19 4479.61 4508 871.3 4528.02 4850.9 3276.75 4268.61 3598.14 3933.21 4484.41 3013.76 5198.57 1485.67 4402.19 5097.47 4491.04 3444.97 6176.14 4493.75 4246.27 3907.57 3383.65 3712.38 5981.58 3137.3 3893.99 3743.27 4937.6 620.07 5267.42 3916.83 2922.62 3691.49 4086.11 2087.2 4611.78 3406.83 4195.83 4246.51 4249.65 4205.25 4194.47 4079.76 4286.34 4246.91 4215.56 5-Hydroxybenzimidazole 11077.02 18621.72 11904.54 10906.04 14314.65 13952.97 12790.79 11349.88 7931.3 15576.66 6816.59 12397.95 20711.82 13962.2 16718.91 13932.25 11651.35 12187.46 20678.38 1091.47 828.27 8139.17 10581.94 12701.44 13515.98 12789.69 17382.77 11095.25 15753.45 1301.76 5756.03 17189.86 12178.09 13122.6 11425.99 14859.31 10495.97 9104.12 10691.82 13110.66 3374.75 13678.58 14712.03 10935.73 12154.64 10031.55 13745.74 14502.18 9464.73 15734.21 7810.39 13138.29 14499.24 13350.33 9704.25 18240.69 14014.74 13389.29 11858.55 9151.68 12828.63 17903.76 8756.41 10655.4 11503.09 13388.81 2528.31 15444.95 12290.35 9936.24 9682.72 13160.32 7821.17 12959.41 9913.19 11967.25 11967.1 11902.04 11874.56 11889.08 11968.88 11972.99 11900.31 11978.64 sn-Glycerol 3-phosphate 571.11 2849.97 533.42 486.71 4121.87 2784.23 6622.8 810.59 3247.81 2917.23 4370.58 2721.97 3787.16 1633.35 1570.27 4598.98 1507.47 2712.65 2390.62 770.11 2981.67 3048.67 583.09 1549.95 2678.1 4413.8 4230.92 3418.52 2716.27 1671.69 798.64 4994.43 1570.39 5849.56 8457.82 2442 2463.62 2550.11 1873.78 9785.53 2547.29 2321.04 6391.01 2168.1 719.86 5989.76 518.68 2954.45 2103.3 3010.21 2367.79 1196.74 11973.31 11070.6 10720.99 1537.95 687.48 6635.35 2774.16 4790.55 739.39 1367.42 1141.39 13840.37 4861.45 6281.19 1051.11 685.49 1644.82 3863.72 3719.04 372.75 8707.81 19322.83 4479.15 4085.85 4130.87 4400.23 3997.88 3928.98 3939.92 4017.57 2949.17 4044.65 7,8-Dehydroastaxanthianthin 126248.81 180143.04 151645.47 159930.84 180090.07 179743.86 123421.38 91037.11 124135.98 129617.84 112728.1 186349.63 268024.48 196935.36 163986.05 174359.18 167455.79 217761.73 189811.66 216756.88 215576.02 203690.84 199126.44 92762.32 108564.64 169362.46 103300.79 132980.86 165509.24 177216.05 177851.65 240023.56 267139.98 178719.61 151777.56 190147.65 179331.98 210278.92 193125.39 163038.35 173156.65 179021.2 140847.82 127901.59 154776.15 78734.3 129828.74 153787.43 126855.54 203875.28 157168.72 163687.76 131091.14 157953.66 120429.46 180932.78 170110.69 112664.54 114475.85 119915.69 117385.09 111963.36 132606.75 129273.9 115827.61 132371.73 166072.69 130651.72 124394.31 117233.37 131189.58 128039.68 115242.29 204014.83 179212.58 163588.68 160071.44 165736.3 163983.17 164935.08 164448.23 167443.51 164307.41 165812.13 Petroselinic acid 4061.86 8885.35 13695 12764.97 8462.02 15109.71 4533.29 3487.77 5207.21 4977.73 4025.79 8218.55 18605.56 14521.2 5869.5 9412.88 11543.31 13303.72 9636.83 12852.76 10060.27 12817.98 13670.47 7242.86 3524.85 7753.09 8337.41 3482.89 7676.76 6638.64 12283.63 21364.54 6828.75 11466.36 7169.08 5463.24 5903.43 14069.15 13769.16 5021.13 10354.41 20775.15 11766.9 9488.27 18902.91 22793.8 9116.42 11292.15 12581.4 28624.5 17384.19 15661.9 10312.38 14711.75 7071.36 9471.01 14556.61 8459.18 4582.83 5911.72 12383.05 10966.68 12577.34 6244.61 5250.03 16598.76 15929.58 9308.31 6781.46 3764.33 5120.18 6212.56 6799.41 11844.14 15147.15 13654.87 14466.18 15335.76 14533.89 14759.55 14601 14625.33 14749.55 14581.05 Ethylbenzene 4601.08 4283.1 1017.6 5260.27 3924.33 865.06 5199.2 5565.02 5320.93 4365.14 4575.13 5367.67 5218.04 4991.55 4890.5 4138.27 3885.6 3754.82 4472.91 3606.85 4221.19 1665.18 3638.75 3297.28 3999.45 5147.68 3497.67 3579.88 5163.07 1884.82 5681.06 5677.71 5377.97 3318.3 3972.97 5004.03 5792.86 4175.73 3461.95 2991.88 4115.66 6985.25 3851.6 3541.21 5049.93 4808.81 5136.74 8164.23 3311.41 5548.51 3808.91 4475.77 3792.02 4306.26 5157.36 3707.72 2294.39 1870.57 2694.94 2846.69 3261.24 3237.79 3764.73 4027.43 2647.46 4822.24 2476.58 3450.35 4119.3 3647.73 2380.52 11056.98 3110.82 3556.28 3945.28 4060.05 4125.58 3919.21 4105.42 4247.31 4139.25 4059.97 4058.03 4125.74 2,3-Diaminopropionic acid 11196.64 12432.01 14255.54 13608.16 12571.49 12222.24 10030.82 689.83 2999.22 4672.21 7177 9551.23 6474.11 11045.66 8952.75 6803.63 10415.5 11250.79 9115.68 9773.19 8924.83 7142.69 7128.91 11197.44 10866.72 10025.41 9714.05 12795.32 11632.06 14530.91 9933.64 10185.4 5811.59 11967.11 13388.1 13439.56 12186.32 13675.22 16261.85 12783.26 14412.56 10000.56 13870.1 12574.94 10735.53 11113.06 12771.46 17288.07 12094.49 12468.36 12621.99 11886.41 17667.49 9960.28 8597.51 6978.24 5879.83 11317.77 13885.99 11757.32 18937.75 14183.1 8983.66 14140.66 13419.27 11542.26 11960.05 11368.81 13240.93 13759.44 13157.04 13774.73 10106.16 11835.29 10978.95 11962.63 10394.13 10530.44 10818.08 10859.7 10592.29 10788.03 10850.76 9091.7 L-Homoserine 5206.64 5391.47 8616.15 7345.48 5740.13 3786.03 9348.13 7177.88 7516.35 3981.05 6083.26 5033.64 4823.45 4973.52 5822.24 6205.76 5665.01 7594.92 4196.96 5881.35 13062.91 2460.71 4047.38 5851.5 5912.77 4351.31 5642.15 6689.76 3278.01 3614.84 7985.11 3419.49 4415.4 4821.45 6755.76 1575.38 5714.42 3822.94 4868.17 6274.81 1819.27 3524.88 4837.43 6200.72 3757.28 9675.89 5796.01 3476.84 4764.13 3506.88 3003.37 5756.74 6444.9 7235.04 6000.42 4172.2 7838.6 6911.65 4580.84 5272.01 6131.72 4516.69 6344.18 9288.47 11014.41 4940.63 6414.24 5006.57 5490.06 8091.91 5894.91 3826.67 6988.78 6059.04 8187.78 5820.94 5913.79 5883.65 5824.38 5823.28 5739.37 6023.34 5980.35 5828.07 DL-Serine 2863.25 2404.03 3288.3 3481.89 686.87 1990.52 5717.97 2685.23 3949.14 2407.96 2499.56 1993.85 2480.38 2803.99 2427.35 3619.39 2792.6 4449.35 2479.11 3774.58 5610.62 1971.49 2624.01 2970.82 3647.15 925.93 1259.42 2396.36 1272.03 781.61 3627.83 2049.88 827.38 2819.45 3049.48 2157.81 3466.52 1263.14 2636.97 3778.89 1356.28 871.18 2742.6 2042.14 850.94 6952.19 2387.57 780.51 1513.44 1932.43 3421.46 972.9 3442.31 3804.07 1980.85 2798.68 2666.57 3177.15 2347.32 3649.67 1959.71 1912.55 1639.52 4656.65 3720.75 2646.2 2928.19 2859.95 3175.21 4353.08 3059.86 1255.47 3750.82 3220.11 4479.91 2322.95 2185.95 2329.95 2186.33 2225.34 2249.41 2326.33 2210.55 2266.27 2-amino-3,7-dihydropurin-6-one 5602.62 4576.4 5854.52 6044.21 6717.25 4403.39 5371.79 1015.21 8141.94 4911.29 968.56 5548.57 4508.21 6198.86 7588.76 5919.92 6366.89 6362.87 7371.27 6101.64 3640.81 6102.7 5914.27 6424.23 5690.32 5692.93 5871.06 6419.51 5697.82 4761.23 4948.84 6447.36 6224.7 4905.92 5199.37 6907.63 3689.75 3551.39 6756.2 3073.75 5467.37 5389.17 5263.62 5764.83 6353.47 5502.91 7045.91 6122.31 3279.34 5184.94 4262.12 5324.05 5319.57 3651.55 1984.1 5724.26 5562.72 4739.16 5174.39 4652.36 5795.65 5853.3 4797.13 4576.99 4730.71 6494.3 5535.26 6798.12 5799.61 7699.88 5970.31 5890.83 3224.63 4375.24 5617.18 5612.93 5489.26 5462.36 5462.25 5572.73 5486.22 5571.63 5577.23 5508.08 N-Methylmyosmine 5778.22 8255.25 6059.47 7600.06 6392.68 6989.26 9045.88 7284.65 6363.37 7402.27 6195.78 6904.08 6671.21 6605.08 8565.65 6486.63 7003.69 6836.79 7035.95 4805.27 6591.72 6932.5 6467.99 7371.74 6389.87 5701.59 7694.72 6851.9 8377.1 8190.68 5658.12 6232.11 6938.56 6457.6 7533.98 6879.57 6702.15 7990.41 7343.35 7795.13 8353.98 5962.76 7833.7 8541.63 7232.02 7524.11 7193.83 8037.45 9180.72 7217.9 8443.28 7211.01 7310.17 5911.24 7663.86 7224.16 6965.36 7713.54 7076.23 7510.47 7089.98 8373.78 7421.56 8373.96 8290.29 6325.79 5926.11 7391.42 8123.46 9236.11 6288.19 6973.14 8009.34 7637.72 7958.92 7769.32 7736.13 7611.18 7615.23 7430.71 7769.11 7769.72 8215.75 7610.3 Maleimide 11279.64 12589.6 12319.66 11341.01 12563.1 10809.02 16718.75 13565.18 14034.25 14457.8 14883.13 15883.15 13203.64 15104.72 13911.31 14281.76 13233.94 15628.94 13898.79 12142.19 13862.18 13328.03 14606.32 11390.12 11380.88 12016.75 11845.85 11737.87 12076.76 14937.24 13562.97 12782.67 13337.13 13632.03 12083.73 12420.31 15333.93 13880.39 12011.23 11028.53 15222.65 13632.37 14751.4 14971.25 13694.78 14844.81 14903.1 12307.37 12570.45 13046.68 13328.41 14465.6 12335.37 12328.35 13055.78 12929.5 12884.12 11961.25 11053.03 12483.47 14178.45 12315.94 13298.79 14831.7 16251.03 14125.13 13238.58 12300.21 14737.05 12672.91 12843.25 13636.45 12890.23 15316.34 14962.42 14452.91 13644.43 14297.69 14336.63 14455.25 14290.73 14555.24 14450.6 14290.48 ascopyrone P 3564.43 1391.33 4016.4 2703.08 2966.29 2916.03 3137.45 7307.04 1958.9 1434.35 512.57 888.94 725.58 2643.41 2521.17 1218.1 2519.11 3648.27 648.72 1813.5 3264.58 934.56 2269.7 1916.55 4355.07 1661.42 971.57 2466.64 9052.38 2886.6 4096.54 1975.27 3039 7122.47 2511.38 2345.72 4297.16 2503.21 2849.05 2129.5 2159.89 2330.71 2475.38 3689.81 2713.24 6316.77 1939.35 4805.54 710.61 2276.8 8451.04 5374.12 4613.82 7902.59 5110.83 1065.5 3617.92 1693.02 3514.48 3445.49 656.33 5706.6 2931.01 4601.79 776.47 2902.34 1066.84 1308.17 1217.8 2304.18 2150.19 2337.03 2400.67 4098.78 2722.03 3301.56 3080.42 3199.37 3271.42 2746.59 3195.6 3268.88 3126.16 3519.52 Cytidine 1192.41 1742.52 3039.88 2020.99 941.23 3926.57 839.19 1137.45 1288.49 1347.27 536.43 948.61 647.1 1519.54 1505.59 993.95 565.93 1185.09 1883.73 615.1 1073.8 1423.56 872.79 2081.97 967.14 1017.29 1807.67 480.31 1452.51 1806.47 914.42 2216.96 1154.37 771.4 1604.46 790.62 592.26 1298.79 1701.72 1509.48 1351.52 1038.1 2515.63 581.42 989.85 2626.77 724.17 2054.17 1604.57 1497.48 1349.25 2543.03 594.95 911.74 940.07 1687.13 4161.47 2214.05 948.04 2782.67 2357.32 1151.36 1520.4 3041.9 1648.03 2371.18 1750.33 1112.93 2152.6 845.33 1327.21 1972.93 2089.42 2701.36 2966.48 1553.25 1502.57 1553.91 1435.73 964.1 1467.61 1443.35 1552.38 1573.46 11beta-Hydroxyandrostenedione 9900.36 511.29 664.03 1339.9 69447.31 47217.31 3638.44 25300.95 8973.54 10675.14 5342.8 19766.22 8908.58 8923.87 8613.5 18525.81 4144.71 9919.61 9081.41 2395.62 13466.56 11919.51 3995.45 3741.41 15465.19 8497.2 6165.67 3318.71 4054.26 4008.03 9410.85 27343.23 1754.63 9514.77 695.85 22540.12 19334.39 7649.1 619.62 5025.35 8372.84 49038.82 7380.71 5260.26 26387.25 3129.5 10627.84 6144.21 24593.27 26665.95 20468.14 21059.22 5561.7 6958.38 11081.72 13940.07 4542.85 3348.42 41736.87 10355.76 6874.89 7202.66 15036.82 10366.15 5641.47 16784.49 3999.7 6681.91 6586.25 19527.88 7599.56 12035.16 11085.52 302.11 8576.19 17464.31 17068.01 17374.88 17478.04 17456.5 17070.66 17697.91 17075.07 17067.09 Nitrobenzene 1835.69 1058.71 928.65 2389.18 2973.33 9586.47 4612.16 4588.57 2527.17 2594 549.78 441.15 986.33 1864.06 1136.79 1936.64 1021.22 1694.83 1397.42 1364.99 4209.53 2173.95 976.59 729.98 1695.09 2453.09 2098.39 781.85 3430.01 1040.06 2506.22 1154.55 1455.82 4861.93 3784.1 6230.36 7777.22 4603.62 3957.36 5218.82 6262.66 5521.72 6135.09 5207.27 5148.86 6939.19 6223.4 4909.9 6249.16 6836.16 4762.54 6045.98 7267.38 6236.89 6369.96 5413.83 6929.71 10476.89 6672.46 4457.08 5752.45 6386.09 11318.2 5686.6 5837.89 5994.62 4492.64 5267.01 13405.06 5405.53 4244.02 4712.37 5910.74 5948.37 4955.13 6974.15 6437.75 6527.25 6365.98 8381.89 6369.06 6792.81 6861.57 6137.54 Hexadecanedioic acid 17637.34 12654.76 2383.11 4298.74 31907.93 2521.82 7167.79 24271.24 11737.2 8783.67 6521.41 6689.28 8515.84 6865.7 20241 3493.83 4504.76 13976.71 12648.78 7266.45 12532.02 8412.55 2187.28 8776.02 26922.86 13173.41 12271.43 2236.43 15095.8 4178.18 12062.36 13428.22 4691.05 2197.73 7679.21 27587.84 14052.05 1244.76 1314.56 6920.79 20407.44 43215.13 7439.83 6696.7 12947.69 12299.16 33260.51 9899.9 5971.66 10305.25 8405.26 5335.57 3014.08 5664.88 23409.26 13194.42 1143.23 1979.01 17867.72 7683.39 3931.17 4486.93 7851.2 4018.03 3599.6 20010.16 10734.9 9505.39 13704.99 22686.15 9731.69 10647.11 5628.53 9785.37 8932.84 8466.76 14569.41 10835.4 8537.32 4717.88 18021.98 24330.25 27488.24 17593.08 12194.53 15902.0 11455.77 25314.7 23289.19 9447.79 24275.31 12469.62 7118.31 6290.66 5507.56 11178.36 11583.69 12276.52 12032.73 14736.47 14457.76 13781.16 14072.09 14265.61 13743.08 13776.17 13900.06 13878.66 13004.53 Cytosine 2215.38 9831.11 6726.94 4111.68 4111.67 4497.61 7581.66 4121.74 4705.09 5722.95 2865.1 1749.12 1610.98 2587.17 12666.42 8439.98 10300.19 7448.39 3550.44 6693.58 2291.85 5767.91 642.95 6278.95 2784.12 8220.36 11206.72 2494.07 3439.67 4301.64 3987.2 5242.53 4754.14 4737.9 5331.98 4444.13 2929.16 3447.3 3992.02 8706.08 1756.1 1112.42 6239.65 3556.93 2809.55 3214.46 5590.81 4564.45 3009.9 4167.82 3509.42 3897.68 4308.34 4824.69 5581.75 7682.42 14845.1 8385.86 3087.33 8599.25 6695.56 3203.41 9808.86 7042.94 6591.05 7996.28 4587.03 4299.05 4479.15 3316.97 3970.35 5571.09 4557.02 4809.84 6102.1 5211.55 5353.2 5156.74 5378.1 5215.25 5341.28 5224.12 5562.61 5306.9 Ferruginol 790.08 705.13 865.19 549.5 993.71 1671.12 773.15 734.92 973.12 459.12 665.03 878.67 1188.55 1417.83 468.33 893.68 736.57 416.9 368.64 1190.02 2095.46 2968.55 633.79 1523.61 874.04 765.02 631.57 532.7 1343.26 1303.09 893.01 370.1 714.24 1454.45 400.28 915.53 362.7 1265.68 818.94 846.92 387.26 2948.46 681.65 484.73 1332.23 1085 1524.65 638.11 986.89 506.41 360.71 1619.81 1036.2 2082.06 390.25 688.51 1035.18 650.68 716.16 557.24 974.06 1059.9 1740 858.76 633.25 2286.66 2017.02 416.01 1013.43 872.17 829.69 828.97 1592.18 579.66 554.43 1279.3 1208.08 1217.55 1215.2 1141.86 1265.34 1265.55 1268.14 1265.73 Benzeneacetonitrile 1432.35 1268.01 2218.28 2445.1 2598.53 902.08 3679.56 2450.83 1692.99 1324.69 1759.38 472.35 1870.35 1222.86 2008.53 1845.68 1421.19 1588.33 2395.45 606.18 637.12 469.25 1639.62 1889.18 2241.35 969.3 1784.51 1701.8 727.46 1401.91 1112.22 1737.13 1124.09 2309.79 1919.97 1773.07 1198.52 1270.2 2222.11 2250.1 2105.9 957.75 2341.01 993.21 1086.34 3519.55 1988.88 1359.04 2100.34 1047.36 3148.06 1268.01 2436.17 3754.77 1996.05 940.69 1864.64 2041.46 1333.48 1032.75 910 1293.67 1943.4 3383.73 1512.95 2052.87 819.59 1307.21 1306.43 1374.58 2027.43 1181.02 2552.63 3129.63 2949.23 2176.15 2176.21 2073.62 2165.7 2130.94 2294.73 2132.4 2177.2 2131.46 6-O-acetyl-beta-D-glucose 515.28 2171.75 852.34 474.72 2475.83 1897.73 1923.4 1239.44 944.74 1339.4 961.81 1826.21 3179.1 1346.07 3022.05 2155.5 619.65 4027.88 2061.12 3739.74 545.1 1269.26 1109.2 2303.53 2619.56 1362.26 2108.16 1563.48 2585.59 1315.99 3433.47 3753.84 1407.31 1789.28 1362.06 2877.2 2112.61 507.68 420.6 686.27 809.55 2054.92 888.42 1151.99 937.67 2156.01 2272.83 2380.24 610.08 542.28 896.06 2009.92 1276.25 2398.12 1484.03 2586.64 1090.41 2261.94 1157.48 624.15 666.56 948.62 1779.62 2589.35 889.45 2698.01 2914.18 926.8 1373.68 2345.73 1786.92 1833.53 1048.05 2149.24 535.8 1850.6 1899.88 1867.07 2054.73 812.71 2005.04 2058.29 2124.56 2057.66 Geranial 1384.58 1040.2 880.47 1665.6 7105.34 5913.87 5354.43 3951.57 7317.39 5677.32 4502.86 1525.87 865.44 1427.71 7531.64 1019.49 2332.85 4331.09 2274.62 5956.86 6037.25 3022.69 472.05 3663.94 6478.9 4493.94 1731.47 2566.93 2535.23 1627.39 4826.84 2603.74 3306.16 1953.29 1394.56 3134.89 4449.23 620.47 1777.23 2033.15 2630.98 6776.06 1263.7 1454.78 2878.36 3427.08 6169.51 2199.52 3476.33 2897.61 4453.37 1915.17 4659.37 6493.07 3048.52 4525.09 2465.64 2368.34 7013.51 1359.66 1755.56 2627.69 2374.67 4650.07 2020.28 5111.15 3015.35 3100.94 3493.5 6809.28 1833.22 3018.49 1506.31 4494.44 2586.75 3350.71 1039.88 3330.93 3124.02 3049.87 3114.03 3127.11 3292.88 3376.69 Camellenodiol 19475.72 21031.65 16996.84 26753.01 32626.32 55985.18 14127.94 19840.5 17894.87 25669.93 32330.47 50689.21 57819.49 45994.34 22180.36 32544.05 26026.9 35048.44 54913.92 35941.23 29773.47 22205 47288.68 25044.47 22122.32 28529.3 36165.48 43116.75 34988.75 42322.03 34302.94 98543.7 21416.83 42101.15 31694.64 27679.73 26090.5 29786.91 44989.78 37084.61 22009.44 45025.29 36909.82 29001.66 29363.45 55173.22 15885.08 30043.12 43934.16 129956.56 25550.47 31760.36 40381.25 53733.47 9604.57 24372.27 14414.89 21205.32 21101.01 10426.69 29134.81 35610.62 13777.94 23431.45 20259.74 34151.63 47912.15 34763.97 41942.49 13590.69 21606.66 28207.93 36195.76 46214.07 31513.66 35205.05 42035.82 36904.64 36953.77 35212.49 36929.65 35519.8 36254.81 36741.32 Platyphylline 9048.39 10336.7 9823.77 27776.9 24683.64 30792.2 58660.79 16613.33 10708.76 8487.12 13492.46 6995.22 17671.38 10186.15 4140.45 5292.44 8834.6 1414.6 7000.81 2284.42 14576.43 1697.92 7858.95 9532.86 3734.05 9368.21 1596.36 9940.87 11182.58 9923.62 10835.29 9751.08 7865.47 11098.85 8769.87 10539.16 10274.58 10818.96 9081.76 10355.93 27883.59 8913.94 7310.52 8363.75 9121.99 21193.49 10453.51 8474.17 10997.59 5854.94 8612.78 10330.51 10444.34 11186.99 16209.03 10652.06 8631.71 7592.07 8513.88 10982.99 8864.38 10210.42 9391.01 10016.07 9830.87 7593.3 9863.57 9275.28 8907.75 11129.19 10375.77 7083.64 12090.07 10600.52 9336.95 7302.84 12993.39 7306.81 7724.28 7493.97 7662.92 7484.07 7490.39 7511.45 7035.35 6640.81 7466.59 7225.34 7292.82 7577.9 6639.34 7362.32 7411.41 7527.78 7332.63 7307.0 7450.24 7372.79 7702.36 7853.66 12030.15 11794.6 11686.04 11616.32 11445.31 12039.67 11922.83 11621.59 12042.14 16-Oxohexadecanoic acid 48723.95 15143.93 4645.35 11934.82 16151.21 8943.53 22406.47 23890.69 25713.47 15506.52 19972.08 33351.31 59785.08 68776.39 17000.24 18037.95 15685.09 12701.76 20207.89 6021.8 20094.71 9239.86 8267.02 23661.5 33636.5 18168.14 22295.05 37363.88 10280.5 16672 12736.75 28793.48 5090.3 11040.46 13546.22 25726.15 21775.37 7057.21 37321.29 8516.11 21986.19 32843.93 9511.72 47701.87 18156.85 29983.98 11318.05 18043.92 20352.22 39203.99 33394.25 12002.31 9023.45 14787.52 21298.25 13411.91 12784.03 5126.4 17233.66 4715.18 26403.92 12863.23 10537.65 5165.77 8208.27 33141.13 31908.35 107685.6 56406.2 17418.36 15233.96 16391.99 8099.19 11475.94 20551.02 2765.61 5240.09 5247.17 3857.72 4005.33 5549.43 13630.8 9517.25 8604.26 3732.89 3384.77 4913.24 5619.77 8389.6 2388.36 5058.84 3380.26 2717.16 3572.8 3190.42 5303.79 5582.51 3883.48 4847.54 5577.89 22696.81 22432.67 22317.54 22036.35 22302.96 22142.3 22596.96 23566.41 22738.64 Westiellamide 9280.08 22435.45 6274.22 8707.28 179960.5 49070.93 16571.62 57841.76 70960.99 45695.17 13746.85 42684.61 26371.36 4521.04 32523.91 47696.64 14657.22 53389.56 46544.55 53112.6 70830.74 29810.45 541.97 17505.51 1999.43 75376.34 32936.86 12013.56 56273.97 43665.03 55806.46 132790.63 33008.64 18301.34 13424.42 44857.75 35595.33 19965.24 5976.61 10281.62 25377.93 117466.12 10339.57 10800.09 98080.97 19236.37 38649.24 18626.71 34757.52 68172.52 46593.17 23231.97 4257.83 22733.5 56344.71 25871.91 3270.05 4670.66 59599.59 34505.37 6108.99 10082.13 38935.91 17114.11 8477.64 70418.61 55531.79 21413.83 20800.4 51087.91 30759.83 29390.99 9545.95 3609.26 16524.5 2233.13 21271.19 2703.89 2543.54 2335.54 9007.0 2650.89 2693.15 3056.04 2390.07 2429.57 2504.95 2372.37 2780.45 2554.32 2879.31 2535.98 2578.03 2347.69 2240.55 2867.5 2570.45 2236.46 2911.77 2451.06 35541.34 34931.49 35549.54 33871.19 37236.04 35556.81 34885.54 34907.39 35064.57 Thiobinupharidine 37281.57 29762.71 22385.42 21231.2 12509.83 7419.72 9186.71 29662.48 11430.9 11791.04 27383.11 43962.24 29678.51 31664.46 32307.88 32556.77 27031.81 36901.39 25201.37 30627.5 26807.13 6521.44 25634.83 20993.17 22606.83 42684.04 24388.24 73380.9 14996.5 38247.35 26535.9 44934.71 674.71 6646.04 34838.73 30398.62 46681.35 32279.86 37531.23 33060.98 28100.53 56861.38 33313.34 45667.91 15545.93 64332.56 32803.8 32746.72 24407.21 37543.45 92001.3 61090.14 38722.42 50785.69 53994 19039.3 28468.85 7598.11 39611.77 18259.66 41056.15 46716.25 28554.09 31429.79 38657.25 61909.57 45963.97 35984.78 38297.83 38330.86 32077.5 22419.61 42349.77 22498.96 27121.32 39681.48 39723.67 39734.8 43171.66 39688.85 40714.66 41700.53 41016.03 40758.72 2-Aminooctadec-4-ene-1,3-diol 2105.92 3489.48 2735.74 2197.48 3492.14 4970.27 5904.03 560.58 1679.17 922.67 596.74 3970.56 2937.75 1169.07 4010.44 2736.3 2143.16 2196.24 7450.67 5468.86 2424.9 2591.29 1292.9 917.19 1025.42 862.91 2581.7 1552.8 1056.8 4487.24 1395.23 4739.63 2587.17 2545.89 1070.65 1072.9 775.06 2662.77 1037.22 1524.29 4066.14 2206.23 2288.07 1785.99 1919.31 3258.7 2042.26 8847.18 1575.34 4325.26 983.27 1333.17 1955.03 2233.52 499.24 1815.92 2409.49 1381.29 940.34 2809.67 2197.84 1226.18 519.44 2548.07 2157.73 800.03 3027.5 2668.84 2928.99 2021.02 3044.39 2724.58 847.43 3180.3 3255.7 4640.73 4486.65 3080.23 3900.3 4947.2 4514.73 3891.89 4322.89 5409.16 4327.76 3423.66 5026.82 4888.86 4021.59 2992.5 3744.38 4620.48 5051.89 4705.55 4446.01 5623.48 3323.86 5235.01 4637.25 3749.8 2629.71 2542.65 2603.63 2480.67 2546 2606.39 2537.11 2544.88 2604.45 Phe-Met 11259.44 9706.47 8280.94 5475.58 13837.53 15132.29 10088.68 8432.33 12656.11 14183.42 7896.2 8214.21 8220.15 4568.71 19298.98 5707.69 6126.66 13244.96 10578.49 15823.9 18507.6 8694.82 6496.12 8692.35 10624.79 11850.63 11274.87 5572.53 22204.37 7146.62 8540.81 8762.05 7269.44 12540.94 14628.61 17959.27 14534.87 10458.9 8855.7 11717.96 11765.13 14025 15941.75 4881.73 4771.17 4081.56 10382.42 14127.44 11934.95 13052.83 12597.82 8013.2 15538.46 10513.29 12378.68 15122.97 6058.6 5750.87 5022.32 6605.67 7124.05 6986.98 10961.69 10787.07 10694.97 4059.24 15494.16 7499.19 3525.66 7293.86 6893.19 8209.86 7201.17 13841.51 7080.76 11371.03 12003.6 11371.39 11138.62 10946.88 11287.16 11027.55 10904.81 10825.89 Phe-ala 4172.9 7681.72 5390.48 6283.45 5596.22 9077.17 9387.57 2531.3 3391.43 9722 707.41 2766.31 14571.71 7030.68 10928.6 8995.77 5882.64 6864.33 13693.1 2586.16 2399.98 6190.39 5729.89 5668.1 4519.27 3167 6555.88 5060.73 10329.9 18361.31 2806.05 8006.72 6738.46 5939.21 2868.3 6742.14 2722.37 5673.73 5788.14 4701.83 1694.72 6212.07 7517.63 5045.77 4221.52 4730.27 5486.03 12949.8 4861.82 10136.9 1487.77 5201.29 5924.7 7101.83 5468.88 11732.68 6976.92 6208.94 6667.73 5975.89 5657.97 9837.85 4186.72 2390.16 4339.37 15407.82 2121.15 6231.82 7152.15 6235.33 2392.93 5841.17 4161.91 4592.57 1891.21 4429.92 4315.15 5447.93 4221.05 4137.06 4202.33 3082.41 4445.01 4020.29 D-Alanine 14998.3 15122.65 17595.95 19442.09 17227.35 14215.75 18518.86 10984.85 12268.32 9169.55 17120.07 10722.5 7764.1 18661.83 19179.2 16382.8 15542.95 11778.82 9163.98 14425.88 10852.01 3920.08 11070.86 18621.3 10539.39 7486.1 10315.08 13081.89 9215.14 1330.89 16500.59 6191.64 7082.3 10924.81 13883.64 6756.73 16490.01 14133.26 23863.81 11848.17 6105.55 11063.46 12458.93 20610.37 11159.81 16236.98 9676.11 8531.15 16441.58 14896.28 19212.32 20536.34 12644.88 17634.06 9514.29 15058.03 8520.28 6824.87 10508.9 13108.13 21311.88 14600.84 24961.91 9738.2 13512.23 16817.65 20297.6 10110.06 16551.19 17361.45 18740 10480.62 20749.17 14001.88 19150.78 14961.19 14928.77 14881.56 14900.39 14828.93 14777.33 14959.97 14831.21 15304.07 1,1,2-Triphenylpropane 18273.73 7987.12 15317.01 14857.62 15520.31 16063.44 11900.43 5147.12 3050.77 10707.74 8478.92 9966.31 10721.95 11427.17 17832.95 11939.16 14420.66 4601.98 12941.56 5410.16 12718.36 7343.04 8941.73 14938.29 11235.81 19008.39 15342.83 14470.39 3558.42 8400.17 6618.46 11106.64 13547.41 14347.58 8894.8 13546.81 16573.17 10123.01 21877.49 14757.93 8996.11 13658.34 11987.39 12926.31 13854.27 13110.85 14597.45 18139 10261.14 12304.22 8595.87 18489.68 9804.48 17020.32 11590.97 18188.76 9950.94 12793.34 14799.79 16934.94 7706.57 16663.97 12799.62 14207.9 14975.82 15216.99 15096.71 17652.92 6788.97 12072.85 15803.05 13234.29 12802.84 11129.97 12081 11152.88 11155.45 11192.6 10739.69 8091.82 10692.74 11147.69 11167.73 10816.71 PA(18:1(9Z)/18:1(9Z)) 6761.82 1368.4 8385.35 10046.98 19151.19 15505.59 14006.31 11258.65 6748.47 9606.46 12453.54 12705.55 1207.55 12644.91 4642.86 512.88 756.06 3308.32 15429.25 4756.54 2035.3 6600.83 7780.74 16914.24 1125.97 12586.32 11271.06 15656.46 581.41 6582.69 16612.85 36277.99 4357.19 14834.94 13046.32 15722.99 6574.03 6783.05 10027.32 10939.63 10285 17962.99 11838.53 10131.32 16819.32 19294.83 16548.96 15958.04 13091.73 36303.77 12713.18 10276.23 10681.06 16318.59 4767.24 7828.58 3871.29 8330.17 8093.46 3645.11 5162.16 6586.83 2694.94 11079.03 12943.03 6569.82 1914.27 10981.22 14295.98 11069.81 8898.47 13608.75 16647.1 15308.81 14214.03 12215.84 11921.53 12060.31 11987.74 12236.08 11970.58 10984.86 12387.82 12222.56 Methylhydroquinone 5868.14 3742.44 3858.38 3420.57 4875.42 3478.08 4509.79 2525.05 2571.91 2636.57 3328.42 3480.37 2778.81 4157.72 4884.53 3670.77 5344.7 3666.44 755.69 4929.76 2617.65 2200.12 2516.29 3012.16 3140.92 1847.13 3411.86 2649.94 2547.07 3436.8 2624.89 4440.03 2644.46 3932.03 3511.18 2725.55 1155.32 2045.32 3123.87 3932.04 4673.68 4024.01 4178.45 4128.04 2254.25 5650.45 3476.57 3872.44 4453.17 4670.34 3477.53 1584.14 2903.7 6174.79 3067.47 3809.73 4577.85 2199.17 3423.24 6817.27 2943.94 3605.81 2797.82 3760.73 2732.3 4858.61 3950.72 3264.99 3999.04 1062.71 1864.77 1798.93 2069.43 3535.52 5502.1 4230.81 3759.13 4065.86 3934.32 3856.37 3997.6 3906.55 3998.34 3901.46 Costunolide 962.76 716.94 2009.22 1912.92 895.81 962.26 4529.74 1146.2 1048.32 561.18 5023.37 4099.03 4687.87 2143.47 913.44 3069.38 666.53 730.49 4249.54 990.04 599.73 1139.68 2086.47 1593.65 764.04 1245.71 1261.47 713.33 986.39 1176.99 1027.91 3403.37 909.77 3030.49 1848.45 1228.17 1216.4 1465.62 1733.24 3625.69 1010.87 810.23 2236.31 1008.62 794.04 2683.87 955.68 1196.78 1109.16 5817 669.63 597.69 993.26 2296.82 1232.1 16686.19 720.42 1302.59 872.16 897.13 1188.65 904.14 610.06 1660.64 1139.5 1635.41 1072.3 957.76 1017.02 583.63 923.84 2362.58 4108.64 4110.94 2847.32 1041.65 1060.52 1049.1 971.35 1000.37 994.74 985.48 969.22 1000.28 Galactaric acid 5575.48 4648.82 11739.45 10780.19 1895.44 5349.38 645.95 1072.51 2899.37 1664.4 2066.61 854.25 1405.13 795.24 3449.04 3260.72 1892.23 4747.51 960.68 886.93 1194.74 1274.91 889.47 1136.26 9690.21 3768.73 1514.07 12677.91 3031.62 3416.86 3011.29 2822.41 1590.57 2838.2 4496.04 2461.66 3430.33 3807.14 1261.58 4082.91 2099.93 1596.61 2416.73 1124.32 2904.92 1317.52 2744.12 1065.64 1588.21 951.32 2672.66 1452.8 3370.17 2206.36 1551.03 2741 2553.47 2914.71 1681.05 1567.55 2378.08 733.39 3577.83 3495.11 3110.2 2541.09 3001.05 1417.93 1489.01 3776.01 2486.91 1110.78 3485.73 4934.89 1065.8 28067.7 25561.65 28168.25 14766.5 15833.09 26413.08 36152.79 24687.98 34752.9 41779.85 39338.12 38279.96 31095.02 23273.11 26547.85 26592.87 28928.96 30010.07 24756.23 25737.7 34089.1 34913.89 27684.73 32584.33 38851.23 1732.63 1733.64 1979.16 1701.14 1790.3 1846.66 1702.7 1829.76 1715.32 2-Indolecarboxylic acid 522.22 32451.9 48211.32 67098.88 11258.28 35736.75 11176.07 597.88 297.07 24474.98 2711.3 2716.53 26836.13 5803.77 4768.49 3650.22 10535.95 8871.84 3612.11 6479.78 378.09 3515.67 17570.99 9653.77 3690.95 4485.92 9885.67 1961.06 5556.18 8770.05 306.78 15058.35 698.5 92352.56 22223.01 1291.74 1033.54 11223.27 4715.52 4157.73 7662.73 799.18 7245.49 7022.48 2165.36 10442.92 1905.23 2185.09 6549.78 2389.81 810.34 89421.93 8699.52 10058.62 4733.98 17543.51 38247.23 39402.71 297.22 16138.42 15305.41 85100.45 5517.39 6251.72 964.7 7020.27 3776.48 4246.08 3650.67 813.32 914.21 46751.08 8980.86 21893.03 7893.7 15389.9 15593.68 15543.96 15595.21 15588.23 16089.12 15389.27 15442.25 15385.91 (+)-beta-Pinene 27928.88 31017.55 31590.56 28577.45 24717.59 23153.83 26473.23 41186.69 25104.48 25499 34992.29 18597.73 16911.78 27441.15 23924.11 26149.81 26585.59 38269.26 30684.09 22792 28930.73 20860.35 17478.41 31012.23 26800.51 29092.65 29421.41 29614.8 25988.42 28889.07 28617.47 37057.68 23376.45 32923.55 26822.1 26199.97 33684.31 38832.54 33308.93 33614.24 24604.7 27904.01 28106.34 41574.74 27075.95 27491.01 30037.38 29293.27 18253.84 20909.97 41179.52 31008.64 40272.57 28101.19 30832.31 25495.75 24684.33 29167.03 28157.06 30766.81 32190.79 40225.33 25411.94 29188.19 29813.63 27074.23 40132.45 29939.22 35332.6 30512 27769.9 28605.41 25469.62 27155.9 27129.2 31090.83 32163.91 31224.31 30858.4 32054.46 32058.54 32058.76 30890.83 30902.38 N-Benzyloxycarbonylglycine 1090.68 3820.06 4978.27 4313.47 1009.49 872.56 3204.63 718.71 1264.57 444.02 3527.75 2273.75 2877.73 4077.48 2138.83 3458.61 5063.56 1033.16 2103.08 897.97 2139.99 2802.07 848.11 4007.36 459.64 1456.05 2782.51 479.18 1112.82 2800.13 1041.29 1952.4 1189.42 2738.02 1146.9 1130.48 1343.59 1950.38 3185.57 986.81 2103.93 1841.51 3635.37 4636.95 579.96 3757.08 1217.39 2166.15 1414.31 786.61 1723.76 1311.36 525.82 2947.2 2886.66 3765.69 7998.92 4995.43 795.95 3250.56 4614.73 2646.59 5008.09 4342.74 952.03 4056.57 2432 2268.04 3953.8 833.12 3678.43 1980.07 5723.83 1234.42 5616.95 2776.33 2593.43 3161.81 2134.19 2745.3 2648.23 2760.28 2769.46 2613.35 Glucosamine 2349.31 3786.71 1748.69 2773.84 6126.2 917.31 4299.5 2435.11 518.15 2787.86 566.76 3766.99 3921.77 502.62 5511.38 3631.23 3723.34 2896.81 1706.13 3237.08 2554.6 2806.37 3576.71 2058.6 1677.53 2466.75 2365.42 657.49 2979.08 1463.4 3145.45 2684.36 1041.17 1975.18 2263.65 2794.78 2913.4 762.26 3089.65 791.59 1767.35 637.23 3341.33 3046.48 1813.07 3457.29 3639 2531.78 3015.5 3060.16 4070.71 6364.68 4496.63 2288.74 2479.74 2466.24 658.37 4649.14 1865.24 4266.15 1848.75 892.26 6212.53 6296.67 3817.09 4190.16 4297.91 2403.97 1342.48 3217.17 2961.96 4180.58 2702.31 6770.76 6256.63 3209.76 3251.43 3304.58 3262.51 3228.8 2928.28 3312.22 3200.36 3191.17 Dimethylglycine 1542.51 1150.64 4177.79 3008.56 1453.52 1143.81 2138.29 1576.09 2390.81 1195.34 2020.21 764.17 2286.15 1758.86 3084.19 2148.29 1690.61 803.97 1525.58 1189.57 3928.41 1288.6 2285.88 1842.74 1819.29 1059.59 595.51 2316.86 522.95 12145.97 696.52 1532.84 596.98 3279.71 1766.6 1113.52 946.55 691.62 2722.49 1074.62 2157.51 781.5 940.87 1541.27 1012.35 2953.04 1514.19 1885.67 1814.22 1384.42 3502.67 913.56 1921.55 2735.49 849.41 935.05 1743.06 1365.73 908.83 1228.93 1151.65 1085.66 1423.56 2947.21 1964.24 1073.41 3582.61 1811.44 1508.21 1647.56 569.97 1193.65 1831 2053.55 2266.83 1794.76 1721.93 1791.38 1985.11 1424.63 1724.18 1796.85 1714.75 1721.67 Pfaffic acid 46656.93 13975.1 574.65 883.6 1172.76 17233.86 4173.04 5486.8 7004.79 19682.81 906.05 20605.04 9093.24 19988.76 983.26 2315.76 9509.14 8465.7 11237.24 2276.76 27451.2 6828.16 1174.25 925.26 1828.37 3224.29 36401.64 1032.89 16547.66 40760.66 24685.3 3821.64 3918.8 15562.59 15374.17 10953.26 15055.1 10196.66 21093.45 11752.51 27807.31 24497.14 23486.03 11093.61 14161.12 19651.63 16190.71 18449.46 30885.34 64944.51 27984.73 13226.66 10458.99 16764.01 15543.41 5714.71 5128.2 4486.62 6444.4 6557.23 8584.28 12814.33 9511.26 8202.01 13633.36 9757.11 20773.61 28715 17916.74 45088.58 19799.53 21778.27 19089.23 13428.17 15969.07 13620.28 15166.15 15865.12 15557.64 15130.26 15559.11 15596.02 15446.09 15141.1 alpha-Bisabolol oxide A 7458.06 1875.4 1797.92 1465.37 7154.47 2073.04 937.29 13508.01 7989.33 6141.22 3334.35 7910.16 1939.02 1503.15 9340.19 9136.56 6413.83 8776.47 2627.37 19851.27 9572.84 3229.47 855.56 1199.56 14148.02 8258.63 4085.74 2376.95 12436.25 7953.85 8350.01 21697.42 10716.43 1507.18 2140 7327.8 9330.42 2092.99 2302.95 5918.29 13170.18 9549.33 1238.17 1901.46 2580.91 1446.02 11989.75 1708.3 2221.33 9031.62 2453.05 4588.18 1830.75 6804.25 5293.53 5472.04 2739.22 3695.77 8195.33 5987.2 1902.85 1280.84 2236.17 2553.78 2141.06 2488.19 2418.85 4323.66 8181.05 10642.73 13864.16 6645.48 2051.28 2634.43 8328.62 5843.71 6122.86 5875.36 5911.86 5927.88 5720.56 5855.64 5718.99 5893.81 1,6-di-O-phosphono-beta-D-fructofuranose 3160.63 2179.48 5034.75 4357.24 6003.64 4531.13 8087.59 10124.55 9518.24 10245.02 5365.9 8107.5 4311.12 5199.89 8672.73 7690.38 6050.17 6450.48 7041.76 3805.79 5533.39 7899.15 8637.68 4747.52 4805.95 4702.85 4299.86 5695.29 3474.81 9691.3 7265.98 3685.1 5886.16 5529.87 6649.94 5952.24 6501.9 10855.1 7074.71 7917.55 8176.44 6525.27 9320.14 5442.91 7538.9 6347.36 4856.17 5285.95 9175.73 7755.08 8548.44 8988.32 8918.22 7564.5 5631.21 8428.85 6962.04 7301.91 9559.51 5795.36 6557.31 10566.78 5575.99 8403.7 5540.07 7051.24 7679.73 9614.58 10255.03 10613.56 4848.17 8050.98 5466.01 9787.95 6380.16 7028.41 6986.67 7259.15 7354.14 6983.51 7643.94 5965.89 7355.85 7338.55 (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene 5822.66 1967.01 498.29 15005.28 36580.41 106960.17 33233.61 4301.68 2503.25 2802.49 1767.98 3039.9 12653.9 2282.17 1750.95 3101.43 459.03 472.78 1651.54 195.09 2790.88 2244.33 935.01 1508.62 3494.05 3525.47 2521.49 3572.78 2639.61 1719.63 541.35 2993.11 1425.83 2372.02 1956.85 4401.64 2260.83 2763.01 1375.55 2067.35 22386.97 7007.55 1414.77 2062.76 2077.85 26622.74 2261.05 1657.95 1140.85 3988.83 6428.12 2289.35 926.11 3477.83 6062.01 1673.2 483.21 956.78 2110.61 2097.23 427.08 2530.06 1958.12 1509.23 272.46 4465.87 3512.9 2177.63 1774.99 2613.34 1684.87 2102.74 427.34 1749.23 5885.81 8208.53 8165.02 7949.71 8157.15 8104.11 8125.36 8099.03 8156.6 8101.62 Gentisyl alcohol 11115.26 12366.63 10782.98 14320.86 10956.35 1808.49 15893.98 17770.56 6678.85 6054.12 9081.45 5922.95 9518.62 10263.9 14187.35 12944.3 8011.88 14010.13 5480.4 2924.17 12182.51 731.38 6635.13 10381.11 11905.18 5027.34 6865.41 5247.46 8738.01 1073.65 8014.49 3273.11 4310.96 7209.53 7530.03 12734.88 11962.04 4471.88 10986.53 14854.33 2158.21 5768.03 13782.05 13208.99 8334.37 13420.26 18398.63 12328.3 2766.65 10721.89 9425.41 12648.99 9471.16 10568.14 12916.56 16178.14 15557.01 8897.26 11092.85 6480.73 10767.13 12556.13 22114.98 16684.79 6459.76 18345.82 7601 8793.52 16264.15 13985.53 13023.2 5911.98 12352.12 14658.07 21481.96 10861.15 11088.25 10998.71 11087.36 10751.94 10764.47 11088.33 11102.89 11625.72 (S)-2-amino-4-chloro-4-pentenoic acid 3424.51 2678.91 2392.73 3553.72 2504.68 3103.4 745.75 951.44 1539.85 928.74 4358.3 4299.38 3727.67 3013.74 2397.72 2566.78 2886.84 1575.03 2043.29 1603.63 2613.32 2198.69 3847.41 2048.8 2251.48 2065.08 2213.23 2008.09 1545 1855.84 2106.83 3130.93 2233.36 3569.84 1441.22 2540.23 3219.72 2511.49 3015.37 2454.06 2219.42 2897.28 4145.62 3975.06 6838.15 1906.21 2932.56 1791.75 1938.19 2372.34 2937.89 1262.69 1807.45 2205.18 1497.23 1408.49 2172.44 1165.21 2092.77 2379.44 2605.52 3917.24 3682.23 2649.33 3245.26 2170.53 5631.06 2005.23 1998.45 1899.09 2541.61 2567.99 2557.26 2748.89 3693.56 2397.42 2446.87 2451.49 2518.27 2362.88 2360.35 2414.08 1978.14 2450.8 3-Methyl-L-histidine 2035.07 1486.53 4428.21 6879.77 5001.55 5704.82 16951.94 3046.74 2424.11 1225.9 3511.54 3250.91 6039.35 4441.03 1804.28 4278.99 2694.66 2475.18 4760.15 1751.55 1326.99 3308.79 5402.53 4001.56 2449.66 1561.8 2738.84 2168.05 2602.51 1133.85 1356.21 4905.29 1163.56 7333.69 5115.21 2413.1 3152.19 2814 7637.41 4175.08 2726.71 2853.17 4171.65 4793.55 2097.08 17612.16 1196.68 2907.26 3271.78 4043.25 3779.66 2736.62 6390.79 9887.07 4589.91 2493.38 5186.54 4020.63 717.14 3159.1 4325.49 5054.36 2249.7 5178.14 2039.51 4816.43 1011.72 3876.97 3665.87 2569.89 2348.71 1875.76 4947.79 6519.28 14657.51 5074.35 5188.14 5026.95 5115.06 5027.13 5112.8 5032.07 5056.22 5026.95 Dihydrouracil 6363.99 8344.2 6029.11 6868.2 2633.82 19548.17 13887.88 4464.3 7102.12 3365.91 6273.95 6542.09 5079.74 6913.55 8525.87 12042.25 6655.19 5800.47 3834.71 12788.51 3208.45 10003.81 3202.55 8083.56 5006.68 5904.44 6865.16 764.6 6940.26 6895.63 6771.1 3661.38 3549.44 3395.88 6856.42 2148.57 7534.15 10565.13 1039.51 4373.32 4719.24 950.83 6567.55 2016.98 7752.33 12976.57 2706.26 3184.53 888.7 9579.66 5975.64 3067.01 10239.88 4087.38 3092.34 8447.9 6840.7 6603.61 3116.18 14061.79 2854.11 2328.87 6487.51 5586.4 12175.35 6181.12 11340.16 4836.38 8377.04 5578.01 10464.88 3867.53 11172.05 10281.33 12837.06 6587.87 6479.5 6753.93 6842.55 3881.64 5765.07 6485.35 6284.46 6571.68 2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid 1396.72 1690.57 949.69 7046.68 2510.2 1153.88 6557.27 4145.43 1540.87 1709.21 1218.18 1391.74 3135.26 3258.71 2473.04 2203.95 3101.67 1532.77 710.6 1002.79 1710.46 7704.42 3316.2 2954.04 1378.73 1205.73 650.82 834.15 2109.85 19077.86 1060.54 19063.32 906.91 5761.22 5351.17 1435.31 1118.42 2083.94 2660.12 1885.99 6175.91 1647.48 3728.92 4752.41 839.1 10169.42 2005.88 2621.9 724.5 2885.18 1005.71 2545.79 1396.1 5834.27 4249.78 1921.5 11433.57 13575.39 1243.36 3798.38 3107.14 4249.78 1107.24 5752.74 2298.94 1681.8 1291.41 2506.5 2818.56 1207.43 1740.5 6267.24 1224.86 7254.98 5911.93 1792.71 1067.28 2004.42 1845.31 1785.78 2063.06 2074.56 1790.82 1890.25 Geranyl acetate 616.95 787.69 2055.95 1419.52 7230.89 3819.83 1270.92 1059.66 184.01 847.41 225.47 474.21 1226.07 805.95 433.2 947.26 1083.24 514.57 640.14 372.41 569.48 793.22 1013.21 856.2 330.52 376.55 280.27 420.52 336.21 378.29 343.17 659 206.93 506.3 544.91 1290.34 1194.68 1789.41 541.73 460.85 11066.37 2004.12 837.88 3077.19 428.19 930.77 596.89 457.03 1896.33 884.08 1783.16 652.36 2159.43 721.9 592.75 829.04 1887.8 2851.76 1840.53 457.89 1336.25 1121.96 478.89 455.64 420.16 16048.09 606.08 2738.21 485.97 249.46 454.67 1677.51 332.27 395.07 917.6 3271.33 2080.48 3018.33 2425.54 3774.89 2128.71 1541.89 2915.82 3126.78 Temoporfin 763.14 402.2 38.19 36.96 688.84 10389.55 7910.62 720.88 360.21 17828.92 345.89 287.76 1931.43 299.04 371.75 197.06 431.19 308.08 311.25 426.6 255.61 8147.99 386.16 373.01 37.71 515.27 279.71 318.13 478.17 538.38 258.36 2963.64 1012.11 2781.24 322.62 460.75 366.2 33036.99 85.64 94.43 139.42 4222.89 311.49 77.2 138.01 111.97 76.1 341.13 131.34 157.74 3725.83 259.67 193.06 475.73 2090.88 49.17 3066.13 121.04 130.87 39665.66 43.74 495.34 369 55.42 56.08 2452.73 281.89 57.64 81.58 68.67 515.79 13246.36 120.18 1912.65 41.44 5144.93 5127.96 5119.12 5128.05 5127.96 5119.16 5119.11 5121.25 5119.12 Liberine 1229.09 4907.08 843.6 720.44 10434.78 2546.96 9122.03 4956.09 3267.64 4778.03 1834.24 4227.15 3661.17 6134.34 4746.43 5314.16 4657.47 3535.24 4576.23 1898.07 576.4 3049.41 1109.59 2124.86 5626.12 6784.51 4589.66 5932.99 7557.02 2507.14 1339.6 6732.68 5955.45 2572.28 4518.58 4120.18 5033.27 1628.71 3029.62 5097.13 758.13 1148.36 5605.18 4313.6 762.13 5755.03 1103.87 5254.77 4379.03 7198.29 3093.03 4059.69 5753.28 5937.28 4839.12 6888.51 3471.64 3123.65 5297.04 4961.08 914.9 5406.99 1888.65 7565.27 5745.99 1594.47 673.67 5602.31 2934.71 4774.96 5135.11 2935.96 6665.41 4341.24 4241.01 3924.17 3705.15 3898.17 3599.67 3915.16 3964.6 3102.46 3908.59 3516.43 Liquiritigenin 36836.8 9424.16 362.5 3605.31 39294.4 7176.97 5580.65 72031.88 46546.76 19553.8 13020.73 46796.9 9878.26 23523.5 16915.19 32690.18 17668.11 37428.47 19403.55 55678.16 37077.53 8923.04 8926.91 597.94 71429.1 20169.85 16151.21 50723.7 86476.49 71147.47 86202.58 30078.96 8056.72 4374.56 8215.01 108666.17 53430.83 14628.02 16477.18 36669.29 78111.63 53460.3 9083.36 17065.78 63590.62 11840.04 114501.49 26961.53 53242.81 74277.3 27170.06 10520.87 10364.86 19189.12 30812.51 4375.27 1776.63 2981.47 23785.91 10594.94 6409.87 2366.23 7908.58 11137.12 26337.29 45580.64 23875.53 37485.52 70263.42 44681.34 33572.55 15730.6 47639.83 11769.41 19630.46 39563.95 37881.15 38713.88 36200.43 38414.54 37661.69 42499.35 36836.05 37164.54 4-Prenyldihydropinosylvin 27861.4 23954 15539.01 12840.53 37257.47 37181.74 26232.43 48599.24 60063.06 33510.36 23366.23 42503.67 29776.73 24469.93 37203.75 31698.95 17543.33 34733.46 33628.9 53484.09 50609.54 28461.42 22150.34 18636.57 38679.11 37732.72 18366.16 23980.85 48934.72 20748.66 46413.39 31338.32 29533.33 32058.49 19896.35 38869.08 38184.95 27572.59 18489.35 18110.39 55443.5 57379.15 21990.9 15534.99 39120.97 48929.11 45867.14 28559.84 25016.94 39050.84 42947.31 32817.92 19620.9 24712.7 23484.07 30123.17 13712.68 9923.62 34268.17 14835.92 14856.01 18059.27 23986.75 20973.53 20881.83 40363.19 58668.85 19807.63 20723 33810.16 38871.67 29929.36 21726.14 22934.21 24373.09 32302.25 32459.76 32216.15 32456.33 32049.92 32216.73 32307.9 33405.42 32460.53 cis-5,6-Dihydro-5,6-dihydroxy-carotene 28536.33 419.77 15505.74 91912.9 31920.49 27739.43 10543.37 16880.64 16478.14 17227.51 7508.55 16015.71 23112.6 23230.43 17601.19 46126.47 17140.82 26251.53 7767.52 494.44 22880.23 19889.47 14587.59 14056.3 18719.88 26908.68 12302.48 15023.99 3659.43 15031.91 441.53 137051.42 21914.91 9580.01 28901.72 18295.77 20496.01 20649.5 4514.64 801.94 49831.21 66667.64 362.63 14439.27 740.82 379126.54 1481.18 362.51 16422.62 26302.31 2883.15 739.25 3521.51 10877.77 17520.23 20467.73 306.3 553.58 23078.46 16182.74 13762.49 4225.09 16608.36 865.85 6878.87 65469.16 346.5 438.49 5369.63 17214.76 16202.59 891.36 716.57 44238.81 26486.19 27668.89 27659.64 27901.44 28093.73 27658.9 27922.62 29507.23 27843.78 27463.35 Limonene oxide, (-)- 4374.47 8328.65 2490.43 6010.92 14120.57 8684.7 29498.15 10387.65 5568 873.75 2336.05 5902.65 8404.32 6049.28 11865.18 9224.69 6299.2 15465.22 10583.41 6886.4 7232.2 3822.97 1466.37 5917.34 7584.38 5235.51 4905.56 2680.52 8716.39 1569.32 10036.03 18216.35 1440.1 2348.46 3104.71 9758.23 6869.26 900.57 1136.66 4927.85 10666.55 15437.21 5894.32 5137.08 8047.39 5917.96 11675.97 7533.12 952.32 12469.48 1232.72 4631.44 4127.51 6091.11 10659.57 12341.9 4468.02 5017.63 7023.91 4649.14 8176.56 2562.74 7172.33 5078.08 4585.75 10865.13 1481.58 5484.06 11193.59 8815.64 5583.29 6322.03 2364.31 7219.14 6187.77 7314.74 7611.03 7294.45 6841.79 7229.42 7310.47 7322.07 7322.59 7321.76 (1S,2S,4R)-Limonene-1,2-diol 4037.84 7739.78 10168.41 7968.16 11895.98 14483.4 13314.59 4551.1 6442.95 6863.02 4582.48 4849.27 19040.51 6884.73 9875.22 8973.8 6264.05 3807.51 5449.43 790.53 1040.62 7225.41 8047.22 7182.59 5678.55 4313.36 8069.64 5286.51 6487.99 965.24 1352.13 5388.69 4481.7 12491.46 8506.59 5537.48 5746.86 6228.76 7249.17 6574.55 2705.45 5497.62 10640.46 7338.4 3733.37 12930.99 3230.16 7829.85 3631.86 5137.09 10003.9 13338.06 10273.48 10008.27 10886.35 12733.46 11433.99 12557.22 7003.73 7833.5 8124.97 9130.15 5682.17 9003.31 3977.12 8770.15 3272.59 6774.28 6082.32 5741.46 1267.73 9593.65 5632.8 11087.87 7388.76 7652.52 8195.27 7992.76 8261.23 8192.92 7594.32 8587.07 7836.15 8192.8 Arcaine 1629.61 1780.26 1427.06 1134.24 2082.98 2346.34 1911.1 6226.33 1179.77 3000.71 4568.99 2372.11 1628.01 3501.15 3860.03 3223.99 3502.33 3279.26 1980.11 3485.66 6037.59 3458.95 3926.55 2996.29 1474.11 2707.22 1465.96 4000.84 2035.99 3055.49 2017.68 2519.18 3535.2 2288.01 2945.29 1987.4 2364.69 2824.69 3566.29 3198.58 1054.05 3538.51 1009.99 3357.58 3982.53 1737.31 2092 1689.26 1312.77 2002.03 3229.86 3134.19 2505.02 4004.43 4853.09 2853.43 2598.82 3442.36 2667.05 3141.94 2939.19 3201.65 3544.41 3317.67 2850.56 4398.22 3056.96 2009.84 3309.88 3112.49 3514.44 1588.32 1573.68 937.83 3767.21 1677.23 2278.79 2418.95 2326.03 2341.67 1963.72 2394.58 2349.8 2172.74 5alpha-Androstane-3alpha,17beta-diol 1954.42 2878.16 2826.32 3067.07 470.87 915.41 478.45 1510.77 1369.91 2191.28 2003.1 1229.69 2897.96 3113.61 437.05 737.21 3526.41 2256.28 1888.7 1458.77 464.44 2240.29 1397.57 1060.15 1183.99 2519.94 1029.95 1011.49 1582.54 3150.08 921.06 1553.13 2702.99 2344.72 2691.21 2059.18 1979.9 1028.11 809.41 1262.12 3461.18 3287.35 2713.21 2217.67 2406.75 1269.84 8650.62 1958.26 1661.7 9142.32 1889.34 3253.63 2938.96 3466.57 2679.05 3471.26 4875.93 6492.36 1762.44 3142.55 5202.57 1244.86 6020.94 4514.92 2653.54 4562.44 3973.25 4111.51 2783.31 2008.64 3230.23 1568.22 3836.26 5190.56 1963.86 5107.27 4798.74 4759.1 5146.96 5029.75 4839.2 4323.2 5274.1 5086.51 Cyclopassifloside VII 19106.45 31802.16 6852.69 18068.3 14629.76 32552.08 12248.62 39086.95 5791.86 11756.12 41361.66 11378.98 42085.5 36958.26 1936.02 10538.88 10832.91 10357.62 3340.46 13335.77 6081.06 14235.91 27183.04 29724.86 13974.95 9877.49 6700.75 7836.67 9266.36 11934.28 34668.92 1656.76 9018.69 26444.86 4479.98 12835.41 7132.46 3398.78 10670.61 13868.1 16368.13 4605.19 6726.76 17617.09 7723.59 4379.67 2883.29 7915.41 106826.12 2700.56 4591.23 8443.88 1398.47 4791.14 11489.55 7936.83 1860.34 6195.79 12463.42 6544.98 21090.71 10914.68 15941.74 12901.34 12678.18 10525.99 13670.17 20421.5 20504.82 11005.85 11696 4896.93 17406.44 22147.57 6398.79 3890.08 4322.11 3869.8 4330.78 4146.91 3896.68 4117.98 3976.07 4277.22 7-Ketodeoxycholic acid 981895.48 213157.5 102250.24 107226.34 223614.07 1628.11 228025.59 307537.85 721370.96 391944.2 400133.02 58809.82 412318.65 318979.02 173844.38 110598.56 110280.11 66220.72 609266.89 181727.85 297445.26 140337.95 170152.15 436517.9 316732.46 256258.01 1033150.54 685824.37 194428.9 43545.7 101554.2 218038.82 29019.19 637717.94 210887.49 223901.37 284996.31 99427.2 601532.54 209475.58 181735.83 506745.3 202044.5 293546.16 559076.76 270789.65 235432.57 109803.41 730748.53 338845.22 702513.18 102200.78 170099.17 218621.79 248110.68 189954.83 102443.21 94133 105288.01 42968.74 249856.41 239893.19 353651.27 75548.06 39210.14 447426.07 195735.82 565131.92 164755.38 303641.14 489079.1 425938.71 152278.18 189553.42 508210.99 964.75 7591.53 771.81 2282.77 993.91 1711.08 2721.57 2842.56 4199.82 4169.8 7164.69 5909.53 5560.4 6005.45 6028.29 3624.06 5200.7 5962.71 4652.47 4969.03 5463.91 5926.85 5427.21 5720.58 5460.13 306405.09 305664.99 299066.9 300420.46 292803.53 306996.76 299532 309417.15 307138.63 2-Keto-3-deoxy-6-phosphogluconate 970.64 1754.74 1811.89 1112.46 942.58 2363.03 748.23 1043.53 956.93 1377.32 2400.5 667.38 476.83 1219.81 571.87 2448.82 1028.72 1294.38 748.23 1034.72 1716.34 1116.79 556.47 644.2 725.25 1096.5 391.65 675.21 828.57 712.82 1476 448.38 708.66 1192.07 1146.51 836.93 1350.07 1368.77 1266.6 3375.21 1133.15 2113.22 530.04 661.55 1947.97 705.3 1218.27 901.6 797.92 1296.06 571.27 892.3 1983.6 3936.01 1843.93 2604.78 1950.25 918.68 1028.01 1800.72 1780.1 1236.34 3676.24 6911.95 490.61 5441.05 906.35 402.87 1861.15 1144.91 719.89 653.83 522.94 4742.63 1363.08 1574.65 1131.97 1508.24 1689.37 1514.68 1538.35 1473.4 1357.22 1419.89 beta-Citraurin 593.98 26127.79 24749.14 23019.9 34493.97 47732.17 21030.25 4884.05 20324.02 41677.44 9395.69 918.85 20676.32 29001.82 24751.44 15632.63 29717.45 34166.34 21571.92 25148.6 29808.82 14555.72 22097.23 16835.96 19012.19 26332.43 19306.6 21944.16 704.73 23115.98 31678 18666.5 14544.64 22349.48 12904.67 61056.12 14309.91 27344.67 24494.16 20175.68 27319.8 30611.57 24252.52 25942.55 22322.58 20890.5 15560.63 23927.52 16297.09 24881.39 33649.5 25779.56 26071.22 30821.38 21989.2 28885.1 25520.97 25321.8 25897.39 19906.4 23658.2 23035.9 22302.8 24271.16 23534.28 22396.8 37905.72 24318.69 21645.77 18848.25 24772.94 20355.59 20004.69 12905.74 24814.92 21707.32 21410.72 20332.28 21738.64 21721.3 17513.97 21786.56 20487.67 22435.03 Enniatin B4 15805.29 19616.26 11094.5 17620.92 17786.72 20110.21 12764.04 8639.41 10428.48 11602.84 9727.89 15474.38 22038.18 19324 13419.94 15367.26 12848.35 17451.75 19228.39 20108.86 15325.96 18240.04 14751.1 9109.46 10804.26 21511.26 11099.41 13463.77 18342.93 22471.62 18086.3 23262.27 20014.82 19456.62 12398 18704.07 15992.61 23908.04 12500.23 14890 18888.71 17700.14 10699.71 11096 14032.74 6091.52 15089.31 13113.02 13143.81 17770.58 15883.71 16289.29 10634.45 4067.47 11042.08 13716.53 11476.01 6969.15 7923.33 11671.26 10910.28 9086.54 10535.4 10789.4 1830.1 12715.5 18959.82 9494.81 9481.78 9962.15 9159.06 9298.3 7986.12 13265.65 14391.97 11249.26 11984.4 12082.73 11841.56 11738.32 10915.5 6184.94 11822.17 10687.36 p-Coumaroylputrescine 7266.42 19751.11 5234.46 5727.97 12048.74 5378.19 10676.36 13129.03 10453.76 12005.89 11685.88 15119.18 6047.83 20636.04 13140.36 16620.67 13633.52 12600.83 10084.39 642.34 14163.73 16384.64 7476.08 4370.05 12051.65 2578.89 12774.63 10594.82 15752.2 12203.47 14683.59 2952.09 10182.33 2831.07 3122.88 17246.2 10166.65 23105.06 15549.99 2014.24 10851.65 9313.9 20184.2 15581.19 13257.85 13414.03 12470.96 11140.18 6907.46 11963.92 23794.14 14656.29 11964.1 14621.57 15724.81 14958.46 15379.6 18605.06 16665.44 12991.16 11657.11 15343.41 11599.78 20938.78 18435.5 11117.24 14349 14529.21 13633.44 14702.68 21849 13263.36 11520.7 17021.42 17041.94 14304.58 14322.24 14528.76 14525.28 14398.55 14243.62 14532.85 14942.71 14538.88 Bismahanine 1595.63 2502.67 1091.78 811.94 1953.11 3385.46 1841.35 2279.97 2554.49 1834.93 1958.11 2050.57 1627.11 2078.44 2426.45 1404.18 1568.29 2997.36 1845.48 2441.57 2363.13 1553.41 1469.68 975.24 2665.74 1375.24 683.16 1282.81 3433.19 1108.89 2269.14 2157.77 2772.86 817.73 1743.8 3368.66 3688.08 2658.59 1833.99 3737.14 2354.58 3783.91 1429.06 2410.78 2085.72 2154.3 3149.49 1509.77 1835.51 4072.41 2168.55 2304.81 1545.37 3207.16 2280.16 3807.57 1285.71 603.91 1660.41 1590.36 1046.23 4985.76 2171.48 1215.3 2760.66 4532.44 4094.33 4381.27 2577.05 1370.04 2746.2 1568.99 2502.39 1246.09 1299.01 2484.61 1971.93 2525.76 2474.68 2570.3 2520.4 2566.86 2479.52 2606.05 Artemisinic acid 6162.88 2688.53 1838.87 1493.27 3122.15 3439.36 1456.44 2563.74 2759.13 914.54 1820.86 1776.02 2251.03 1601.86 3395.31 5157.17 2448.3 1512.32 2346.65 2385.8 2809.78 2381.04 1251.76 1810.66 3015.19 4708.91 2010.98 2514.65 3160.51 1349.44 1454.74 2335.62 1614.23 1503.92 1542.74 2237.49 1237.35 1156.63 2292.62 4455.63 2186.75 2547.44 2164.8 1750.56 2733.88 1889.33 1976.26 755.58 619.42 1933.33 3294.86 2797.66 880 1934.06 3251.39 1750.73 1725.03 1057.2 2585.63 1891.92 1682.73 1891.3 3044.99 2497.21 1154.59 2396.44 2646.83 2288.81 1691.06 3589.45 2667.32 4288.09 1985.71 1103.72 2539.26 2751.48 2659.03 2789.61 2394.59 3062.39 2787.1 2656.88 2781.43 2779.67 Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate 18774.6 20330.73 13638.95 8540.85 24613.89 17650.04 16902.78 22983.79 25647.68 70426.97 14810.85 17211.34 9053.44 17069.91 19305.48 9210.6 16141.28 20612.33 14663.45 26387.9 20783.32 17038.68 11076.54 12990.63 27141.11 20715.94 18348.22 25111.13 23348.07 15330.36 23096.85 16434.07 16069.99 8818.62 13063.17 18043.71 17530.07 26783.2 14846.06 16283.03 16557.99 19964.18 18069.75 18848.19 15414.2 20699.98 19115.72 16705.21 5324.33 11543.02 5930.52 14904.97 13134.31 14675.44 20583.41 17118.3 24148.3 16483.8 19660.03 23944.9 7457.72 14096.99 18054.05 19533.49 18529.58 19506.13 25597.22 12458.46 17305.85 19494.09 15955.51 25216.73 21288.84 12263.33 11114.14 12063.0 20481.05 12595.56 14176.14 11974.09 12589.33 13096.32 13907.78 13340.01 14933.19 12852.86 13813.7 13799.76 11923.82 13070.96 11818.0 15104.01 12151.08 13432.81 12582.39 14595.27 12296.63 12944.59 13229.85 14711.0 16201.9 16235.17 16505.94 16237.5 16602.15 16526.23 16524.51 16056 14654.31 3-Methoxy-4-hydroxyphenylglycolaldehyde 2116.17 1992.56 1545.6 469.31 14875.64 6022 756.33 2790.29 4243.27 558.55 1423.91 1413.56 364.77 616.08 820.73 6967.47 807.49 1411.39 1951.7 12671.56 1099.06 710.8 1947.91 1552.88 906.42 2358.95 3120.29 2390.95 2444.51 1802.78 412.88 9409.97 708.81 1975.17 2856.58 735.85 1177.77 337.44 2325.55 600.75 2165.85 8465.01 334.26 877.56 3279.57 3796.73 2351.08 703.04 2607.6 6120.75 4786.19 822.04 411.34 465.07 2869.25 575.02 453.3 818.17 3188.98 2280.63 430.68 1191.57 2699.85 3299.09 406.7 5140.35 1872.19 2164.67 1230.04 1485.34 2486.33 1511.04 339.54 1123.08 1380.37 1992.71 2937.16 3026.18 2956.48 2777 2764.74 2900.15 2784.73 2870.36 2,4-Pentanedione 10281.56 11287.57 7227.76 8539.84 8911.48 10348.15 9456.24 7959.6 8327.55 7363.17 7194.08 7794.92 6388.27 6605.23 7227.94 3596.6 8411.54 6930.48 4564.33 7384 8675.94 6268.37 6936.54 9679.72 4199.12 7628.65 7131.37 9708.11 8951.75 10058.1 6800.22 8508.21 6709.63 9078.97 7566.24 8034.46 9784.81 8474.64 7464.06 4575.64 8092.55 8210.6 9096.74 9022.26 9066.13 11799.15 8203.7 8195.55 7943.91 7481.18 3799.95 7602.84 7341.09 7981.09 8250.42 4201.77 6307.49 9600.13 7524.57 10037.83 5599.76 8935.09 10421.63 7314.16 6300.1 7092.41 9399.72 7170.19 4428.07 2771.2 10288.41 6962.69 7360.3 6684.76 7234.17 7095.96 7039.84 7216.31 7318.42 7074.74 6755.36 7307.57 7938.48 7071.26 17beta-Nitro-5alpha-androstane 78361.27 50415.44 53744.47 65382.02 121083.64 78088.04 73803 97299.08 113434.07 88057.9 77782.37 121837.23 92897.16 71956.99 56206 96670.13 64919.16 31174.84 132153.72 131781.43 100292.69 44357.51 76743.59 82469.81 69591.4 56536.64 53869.5 61134.78 144138.85 118769.93 116641.27 268123.95 113237.68 133147.09 140662.23 85874.34 45561.55 42127.21 40706.34 42245.36 99168.41 137562.05 59275.63 52341.7 52075.7 57217.91 136464.46 102169.45 118921.88 155780 127910.32 62096.93 81483.64 122035.58 56771.23 31499.38 32543.33 29215.31 71454.86 33339.52 35966.12 31394.96 49000.26 87494.71 57996.86 71965.36 91384.83 69370.81 53879.01 65875.93 53640.3 64196.76 70319.86 81322.02 93211.77 88411.66 87129.51 86844.64 87624.23 86725.14 87132.99 84921.63 87039.1 86694.12 10beta-Hydroxytaxa-4(20),11-dien-5alpha-yl acetate 5429.16 5656.33 950.48 779.94 1435.73 1351.26 1835.92 3821.9 9837.13 5378.98 10117.01 2259.95 1901.01 13345.29 5422.55 2004.93 12082.41 911.98 1650.2 4574 12148.61 731.32 10918.43 2196.21 1508.74 688.5 3943.45 664.19 1673.56 11988.97 683.88 2585.34 765.57 7183.98 3745.66 5636.04 2532.79 10137.12 1973.58 804.5 6157.05 11780.79 1062.51 4507.24 6576.34 4534.49 8643.8 3157.49 3113.95 1965.31 10712.59 6665.91 683.18 1022.57 2220.82 1181.84 3721.05 911.19 3107.26 3030.85 1868.68 3417.26 4676.55 2158.78 3024.41 4419.91 6078.7 6178.72 4242.4 4315.54 6403.27 4587.04 1162.42 3627.33 1312.96 3890.86 4156.21 3022.79 4066.94 4149.11 4144.42 3716.49 3925.58 4223.64 (2s)-2-(2,4-Dichlorophenoxy)propanoic acid 9547.72 8086.22 16294.17 7032.03 13823.52 9378.34 18235.44 19477.35 24152.94 28516.99 22656.65 22242.79 20751.08 28815.05 22955.08 18191.78 28740.05 27542.17 15171.97 26254.23 21181.56 22787.07 22544.21 8104.01 9199.56 8927.72 10052.51 8167.85 5518.46 8861.41 6296.98 20431.5 25124.59 9353.03 8623.29 7797.5 12210.32 27820.22 9238.9 9704.85 31282.36 33027.03 32829.45 30502.34 30921.98 28210.85 28311.29 29741.57 30132.12 25726.85 28223.38 26370.31 27126.65 25806.5 24218.99 25111.18 25680.16 28008.44 26794.75 25500.94 28806.78 22436.5 26530 28362.41 25952.4 16010.5 22970.49 22140.23 28042.44 16558.21 24030.53 13429.92 28259.58 23030.39 24127.76 25766.04 25901.34 25669.74 25668.99 25703.63 25811.39 26137.22 26187.16 26108.12 1-Hexadecanoylpyrrolidine 5383.45 7551.09 3783.66 3268.34 2886.45 6306.65 5806.75 5351.28 6142.63 6784.9 5039.95 4696.31 6845.14 5417.6 8819.84 5154.84 4666.31 5624.9 5782.22 5932.68 4216.65 6909.2 3776.08 4291.79 3168.18 3938.25 5212.95 6241.22 2108.65 6404.51 4193.5 5859.6 2766.2 5689.91 6085.88 3963 4757.96 3965.51 4719.45 6946.86 10392.45 6632.66 5016.3 5433.32 5551.44 4204.92 5410.64 6841.97 5094.94 7235.58 4097.62 4035.6 4820.45 5267.59 6437.74 6153.64 3376.99 4178.3 4364.27 8485.87 5672.79 5368.88 5122.91 5111.07 5044.83 5132.61 9373.19 4893.91 7141.16 4913.07 4815.57 7143.83 3658.98 7679.94 6811.07 5864.06 5882.3 5418.83 6030.2 5726.63 5728.66 5866.9 5715.39 5731.15 Aminocaproic acid 2364.83 1556.16 826.71 653.96 3037.26 1187.67 2045.4 4683.64 3003.95 2862.72 1159.79 2052.98 1966.89 1522.07 1902.64 686.35 396.4 2096.78 3337.17 2371.47 2646.85 3470.55 1241.16 1180.15 2707.2 1569.37 909.95 1291.08 3362.95 576.35 2878.63 3410.49 1213.39 1450.42 1044.95 3405.84 2549.36 458.32 1039.47 1199.33 2881.89 3140.91 1147.55 1028.12 3841.22 2322.33 3733.59 970.05 2527.01 3799.29 3215.05 2874.46 1379.76 1332.31 677.38 1429.42 673.22 601.25 1711.63 1101.06 689.55 675.26 1635.51 949.55 1231.25 2758.09 2363.56 1387.34 1464.13 2871.49 2401.7 2475.16 944.81 960.16 1180.78 2258.51 2467.36 2446.05 2406.58 2403.25 2148.21 2409.3 2355.85 2353.45 Aflatoxin Q1 3722.64 6909.67 3761.54 6410.57 5621.06 6215.34 8510.07 4481.96 1442.72 6664.64 4236.54 6734.21 8147.45 6800.25 6391.51 4914.38 2676.83 3500.62 9618.88 595.67 2083.57 6253.09 5483.53 8343.6 6097.84 485.34 7783.01 5664.62 8072.7 905.06 896.21 6982.71 5918.37 5628.71 6380.95 9413.33 3512.09 3993.8 6052.6 6212.93 1801.59 5119.81 7990.02 5048.39 4165.97 5922.9 3273.53 9465.02 8152.15 6678.71 4811.35 5644.62 6604.28 6072.71 4203.76 6370.03 2345.03 3766.66 2673.53 3626.91 8471.62 8678.16 3909.48 4793.95 3467.32 7256.37 2674.61 6713.75 5519.97 4587.63 3448.66 7112.79 2569.99 7907.27 6679.63 6095.71 5916.09 5977.51 5890.92 5976.4 5950.67 5937.46 5886.99 5978.72 (3-(Acetylhydroxyamino)propyl)phosphonic acid 3289.72 1321.28 3043.79 3246.47 2771.34 3398.19 2066.86 3628.5 3535.53 3662.3 2567.86 2955.21 2967.02 3562.28 3791.51 3186.54 3600.89 3141.64 3656.17 4160.31 4126.66 2429.78 3089.1 3340.89 3545.41 2611.99 2552.11 2412.66 2687.62 3257.52 2972.89 2648.57 2325.28 3210.18 3494.12 3440.45 2185.95 3903.66 3789.51 3396.97 4123.19 3830.55 5905.83 5389.79 6336.42 4699.25 5208.56 4444.72 5241.04 4892.05 4648.18 5245.85 5066.18 4430.27 4893.72 5025.77 4893.89 7698.98 4828.46 4217.04 4505.37 3737.27 4782.06 4543.66 6370.85 5909.01 4825.08 7529.03 4030.11 4672.81 5151.81 7153.18 4267.18 4449.61 5388.75 5087.69 4941.5 5540.74 4898.42 4957.45 5080.51 4935.73 4959.85 4930.92 Acetoin 2128.97 1988.1 2114.29 1531.6 1443.45 1866.56 2932.95 2290.59 2376.53 2655.93 1891.29 949.32 1584.89 1911.72 1756.55 1084.58 1508.87 1783.44 1159.5 1959.59 2008.61 895.66 1901.02 2273.17 1802.13 1735.03 2513.92 2151.33 1810.26 2544.53 1401.32 2089 2747.03 2355.21 2462.79 2295.34 2958.06 2550 2239.98 2651.43 2536.56 2541.2 2125.16 2901.45 2241.42 1520.85 2059.97 2351.06 2303.9 2289.12 2253.63 2633.99 2278.83 2453.48 2226.35 2713.8 2575.07 2513.65 3043.38 2369 3047.79 2277.73 2377.6 2717.61 2161.14 2058.06 1769.04 2286.26 2431.68 2393.81 2554.9 2976.61 2123.92 2608.11 2290.44 2232.04 2199.61 2335.05 2230.13 2198.18 2241.74 2217.38 1976.46 2241.08 Ganodosterone 17375.17 26129.79 17553.23 13012.21 26467.52 19239.12 17585.12 524 23449.37 18597.4 14573.86 14394.17 17012.78 15239.3 16746.31 43778.89 10565.01 22306.07 29841.43 31423.79 24811.59 11203.32 20963.29 6064.26 20167.12 24330.44 16809.39 14820.5 20526.26 31565.93 28212.75 27514.17 18341.53 12744.5 22308.81 19582.02 20104.9 13782.45 20979.28 14973.59 31116.04 20349.35 27027.25 9196.23 38408.54 16746.56 12954.32 19426.29 11769.25 37804.04 15387.86 16365.87 17674.89 33967.76 14673.37 24513.43 17899.39 6942.81 7028.77 18232.07 21026.67 14924.99 16693.51 20584.76 11723.88 20409.87 36713.3 19151.9 20820.55 17222.78 16286.08 17235.2 15420.31 27136.16 18913.62 21174.82 21290.51 23357.26 24223.27 20784.69 23953.15 22041.43 21349.22 21497.31 22414.31 22259.74 22588.46 24127.89 25907.31 22437.38 23857.52 23884.45 24180.5 20498.03 21695.56 23436.82 23425.06 21900.51 20853.66 23475.99 24543.77 22998.41 23976.01 23002.25 27039.65 23984.42 23240.2 22136.19 23726.04 Terpendole E 21145.88 10073.67 15005.27 14757.26 741.92 30589.35 7448.66 4878.98 24810.81 16404.78 15686.38 21502.28 38260.95 18430.76 40669.54 21393.3 18166.97 20177.69 22581.73 60397.21 34833.31 13765.97 7850.5 20544.77 18429.5 18236.61 15748.81 18033.19 28447.52 34540.35 30287.29 24056.34 19385.91 30414.29 11013.33 6340.36 13790.82 4228.63 3417.17 6185.69 140901.22 5747.15 14764.3 7929.22 4393.81 6528.26 21842.89 14410.04 2351.36 30826.64 10671.16 10211.27 16131.16 29271.62 1467.6 16405.99 6633.79 11627.94 9933.39 21637.18 6211.05 6495.01 18839.96 4201.33 4470.88 25747.13 50131.66 8914.54 2285.07 6679.23 7516.17 1273.61 6467.91 36460.09 44672.63 59799.43 37243.06 78459.91 63653.51 60177.93 45229.85 17473.31 52945.29 59173.39 4652.8 818.8 16189.64 10700.54 35622.83 7876.41 15854.94 13367.3 66304.26 25655.95 12236.9 40760.12 10752.54 14981.55 35656.71 55879.17 17045.04 20849.7 22127.03 20176.64 20616.06 20153.52 20936.23 20136.84 20945.82 Anhalamine 19205.4 16575.21 7980.73 9222 22050.29 17153.16 18505.9 24447.19 23410.65 14164.12 11882.38 10372.02 10097.85 10658.03 18543.75 16922.64 6980.74 10146.4 20153.97 18784.93 17527.65 12112.13 6790.93 11734.5 24047.56 20068.64 9391.84 11930.9 18455.3 8230.07 13223.4 21542.69 11918.76 12290.35 10474.98 15772.48 19323.95 14975.75 10212.08 13789.46 21098.67 25183.43 12295.2 8355.61 17373.48 11436.83 17397.55 14682.82 12055.24 18155.75 14568.1 14122.54 13139.27 12224.05 10558.16 13847.07 6236.18 5994.62 14987.75 6932.39 8347.75 7872.29 12918.34 11064.66 9771.55 18296.11 22893.47 10386.16 10825.4 16995.68 18144.66 14911.31 11125.49 11640 10709.23 15567.39 15482.67 15551.48 15555.49 15290.7 15555.39 15421.27 14777.39 15273.57 (+)-Prosopinine 7768.59 7553.68 13226.28 10346.82 1326.03 1025.94 9028.23 4790.34 7344.36 13588.18 9395.27 8662.04 1500.03 14253.48 6691.2 7055.85 15391.1 2511.6 7922.54 2126.1 4583.94 3595.9 15252.11 13472.71 9396.61 8476.67 15111.92 13419 8712.35 11687.14 2085.87 3753.68 2036.81 7685.16 15858.25 9967.39 13184.03 10683.62 17508.56 18829.82 2709.98 5129.02 14174.23 15970.17 5981 6148.34 4434.9 10899.5 6021.57 2098.28 4473.41 7128.24 3470.19 7696.83 12449.88 11274.61 14516.31 19889.67 7001.99 12721.87 19981.79 18232.53 10003.3 13379.8 14411.93 6582.11 2734.5 14564.61 15577.34 10022.36 3805.17 12893.26 11893.12 6844.5 15440.42 6223.54 6186.17 4159.3 6816.68 6466.11 6073.55 6355.65 6141.47 6326.55 Cholesta-3,5-dien-7-one 19490.69 31175.65 7020.46 11878.41 24193.99 41642.02 16411.74 49643.38 26546.68 17317.9 16515.26 23731.46 11548.65 13673.76 19959.4 24455.43 16098.45 16381.93 14721.8 16513.48 33966.23 44123.16 21050.43 10338.59 10030.41 17259.17 10554.76 9970.77 23381.22 58001.55 17780.93 28927.57 25172.98 35032.33 16434.46 19721.8 20469.66 24325.3 9981.16 6952.78 23848.16 31794.13 22939.29 12945.57 32798.56 15326.13 34381.88 34568.72 13226.33 18530.22 16268.14 46492.67 20065.3 23202.01 18480.88 38551.62 17299.09 11052.8 25301.14 24531.53 20936.5 21635.13 31854.54 23838.91 16474.42 20407.16 33956.39 12348.67 18668.52 22622.46 25925.99 21250.47 15799.3 17761.7 26830.95 23486.31 23429.57 23861.84 23666.93 23873.07 24881.44 23862.75 23493.99 23485.83 Palmitaldehyde 15583.9 12521.57 25899.26 17499.37 61944.53 30273.1 8565.63 13626.14 8065.2 16607.22 4790.42 8273.45 49283.2 19201.27 15386.37 20750.83 24192.8 39898.36 14768.91 57672.27 10340.2 10995.41 9535.84 5442.35 5229.14 24262.77 7668.48 7197.37 13426.75 13322.73 20196.53 15752.79 7212.17 19181.94 20253.84 21306.46 6890.13 16056.54 8357.12 8879.52 15141.66 16417.25 33587.04 12553.41 19589.51 9984.53 7548.74 18742.18 22344.95 134433.48 19617.58 9092.67 19392.17 20740.36 51976.81 12481.83 21248.05 47241.02 20994.68 5811.81 12944.1 39540.29 37605.21 23340.29 7560.41 55377.26 27005.61 37651.28 33078.22 11886.11 12616.03 22451.02 34975.57 46590.26 30766.92 2737.63 1289.1 615.27 650.52 887.15 5476.17 1873.31 3193.9 729.19 1841.23 1332.49 592.93 4314.2 3897.34 3702.82 1999.63 556.23 6699.34 1239.07 2312.58 6252.89 4285.41 22598.13 26940.91 25251.54 23668.22 26569.82 25810.34 23014.82 23938.03 22885.51 Crepenynic acid 59319.41 48654.4 33570.21 53296.78 22394.92 27432.06 29346.1 38843.37 41172.04 35920.11 34751.24 27557.04 32993.95 55653.93 48350.21 32822.53 50333.34 65655.34 38620.6 101381.54 46019.88 34325.44 40943.52 51012.03 37243.84 63483.41 98578.71 50245.17 46950.45 50906.98 43068.35 30271.92 31579.75 50836.23 44014.65 45107.93 43908.75 46066.09 44626.15 86428.75 24814.8 25261.59 39961.87 50198.63 30861.16 50696.05 33744.47 36496.86 33606.73 32896.92 31327.7 32930.13 44959.75 35772.38 33183.39 34671.74 35576.94 40297.46 26448.92 48685.3 67184.31 37046.79 25049.53 50574.16 24924.49 30927.24 24307.65 32790.42 52077.25 25874.33 27306.89 24934.79 21138.33 41220.38 29337.14 33328.91 33622.73 33078.98 33080.19 32482.43 33067.69 33387.19 34344.39 33494.4 2-Fluorobenzoic acid 271771.91 303609.18 247203.51 276989.9 285651.33 298069.33 278325.62 61737.38 241910.7 245258.41 58349.19 159686.7 153571.35 212636.46 130117.66 157251.59 209674.27 106980.92 184809.2 64318.07 248771.46 141376.96 177740.08 265366.23 285393.43 291530.66 276222.5 268485.15 259027.24 276280.98 287844.21 277902.25 187230.85 280246.82 216251.02 271454.38 301299.89 251010.01 243241.95 279778.69 254186.38 258188.99 236018.64 262559.69 294250.08 221003.39 261826.98 61628.72 289776.98 301969.94 231541.91 245030.02 237880.25 277854.98 228753.63 246294.1 251363.62 275815.16 209377.97 277709.49 239524.93 218688.78 80449.42 225541.47 218167.6 248595.57 236154.71 253757.55 80876.01 221944.49 222136.37 255303.89 258407.99 246823.04 233831.23 205149.79 202424.43 210327.41 207213.9 171707.38 202545.99 202910.54 206219.85 215171.43 Terminaline 43780.21 35494.56 34962.25 54003.78 40602.84 34049.51 43762.86 38841.27 46683.59 58692.32 31320.76 36612.99 51708.54 26812.32 29750 34401.95 60238.97 35610.47 47981.66 47638.47 40487.82 32201.81 39338.44 49021.24 37403.21 26843.74 28676.52 33955.14 69440.28 60874.42 56383.14 71570.08 39603.94 103329.5 78070.91 34224.23 22728.93 16390.57 16574.23 23619.67 53021.59 66007.22 46035.2 55329.04 18909.95 29076.1 71515.05 45522.52 47586.64 42467.32 59998.57 36737.2 45643.47 74481.78 26424.01 23473.53 28709.01 18083.88 32723.12 17777.06 49206.96 26967.83 26187.17 50907.67 31310.93 31734.39 43421.06 53308.59 34869.47 33466.08 20571.99 35459.83 22956.13 49321.69 58982.87 42213.56 42053.63 42072.64 42045.96 42807.13 42303.49 42304.81 42307.82 41122.67 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al 32840.38 71042.82 40143.39 44857.83 36104.01 4956.13 19600.22 34764.04 39380.28 15387.41 28583.63 32529.15 28733.15 990.49 41871.93 56033.37 2881.95 4666.78 33530.47 39682.45 4755.75 30220.54 30868.56 43497.99 39139.54 58753.68 35032.76 3213.75 41690.84 62457.44 3388.42 8347.54 39416.68 28462.67 27822.43 60401.27 16230.05 26238.19 19209.23 10808.04 28204.96 27105.29 39215.17 17876.57 42790.55 30084.92 43838.67 42691.7 51398.08 30563.6 28096.13 44224.47 40233.41 29222.09 40410.89 43862.14 31344.52 28823.39 23837.84 26857.2 29134.41 30980.85 40046.44 26312.78 29304.14 26147.26 44334.89 38495.62 36622.86 33270.32 30763.97 23723.32 17027.29 24104.89 39147.36 36527.21 29229.42 33905.93 35155.57 35940.96 36168.17 36061.48 34705.01 34668.48 Messagenin 6662.11 8828.59 12801.71 12750.54 377.77 7543.4 3253.32 944.72 8872.61 7818.06 10151.89 11959.66 16600.15 11392.08 8586.62 15805.24 7427.43 6729.59 28102.06 8275.81 8381.91 5591.12 10816.64 12213.9 15121.47 10601.8 11037.44 13540.07 26562.71 9064.33 17788.19 18007.62 5698.93 21375.41 14778.88 36933.82 5812.9 3825.98 3714.71 11542.79 5467.9 12483.04 18714.96 8658.45 6904.36 14323.3 2332.2 28592.6 28304.11 30381.26 1914.21 16121.79 23262.61 27090.15 8205.27 2691.84 3957.09 12543.58 11267.62 8933.32 5457.3 5220.16 8756.76 6630.93 24901.46 1660.99 7906.45 18574.6 10875.64 19181.84 7453.07 4674.22 24647.71 17167.76 20634.01 17721.49 16508.97 17306.82 18382.61 12780.27 16483.72 16952.08 16371.24 16353.36 Emindole Sb 21636 22016.51 8478.29 47126.51 77863.81 35903.13 21438.93 24391.77 26440.42 16342.51 9157.86 14091.98 6087.75 10427.97 27062.7 3448.88 10203.75 22822.9 24439.42 45674.39 21751.47 16963.85 7871.51 11006.86 25087.88 25655.67 12138.5 9676.43 24481.95 5605.12 26963.39 21009.35 15397.18 11966.91 8980.57 20012.96 21500.28 20381.28 9745.88 9450.9 20015.37 33011.19 11319.98 8144.01 26737.78 17056.83 23903.98 16086.17 2314.52 19030.2 18249.16 18657.35 12151.33 12978.98 19285.03 21653 4031.43 7898.74 18099.64 20371.11 7072.33 10173.17 20651.24 14138.09 9998.22 27307.02 30478.2 10455.46 9977.8 25297.44 27023.61 19582.33 13444.56 13169.89 13346.29 19297.44 19482.06 19309.71 19223.64 19090.6 19243.89 19198.16 19196.63 19195.66 Phenylacetaldehyde 5846.63 1221.04 548.99 3132.78 19758.74 5262.5 5452.34 7042.31 4828.35 3790.84 1139.82 4446.29 4675.74 3715.23 1232.44 8176.3 607.03 4588.04 1460.85 1773.57 975.05 3444.81 2783.21 1333.15 4131.14 3487.13 4191.42 3076.12 7435.39 3409.72 5628.01 18354.12 3451.68 3788.91 2723.12 4529.01 4223.17 3466.94 1648.28 897.87 3245.7 10141.45 2737.86 2538.31 5266.7 5337.21 3621.8 3503.19 9328.64 7686.23 7427.12 1991.41 2127.41 5013.85 5893.46 2008.45 930.76 629.29 9200.81 5183.32 1983.88 972.09 4406.28 2715.35 1282.91 7558.05 3109.44 3341.97 2313.08 3486.97 4151.92 2770.61 2744.36 1794.07 4337.02 4335.25 4110 4321.81 4236.44 4337.52 4315.07 4243.23 4337.53 4344.86 L-Gulonic acid 650.49 5983.99 3447.28 4078.21 3493.98 3723.37 2706.13 5314.94 3474.52 3444.5 4435.56 3658.54 6368.89 3536.98 2706.89 7116.26 3609.44 1750.68 3387.84 2969.23 1631.94 4324.38 3796.45 3579.61 3643.33 9310.8 5251.14 3904.41 3411.67 3478.94 4999 1262.57 3124.74 3437.04 3198.11 5054.1 6533.18 5187.12 3912.7 3319.28 3951.88 9378.83 7191.11 2649.34 12545.65 3309.01 2915.08 4155.19 5444.3 4391.4 12558.39 3432.18 3416.53 5443.65 7134.04 4178.86 3724.66 3448.22 4073.31 4237.69 4533.21 3398.01 4373.63 3795.42 8225.81 5727.94 4769.64 3677.85 3952.84 3156.17 3508.6 5030 4407.46 4325.36 3570.9 6691.12 5584.45 6218 5627.17 5549.13 6381.36 6189.88 6454 5227.32 4-[(1S)-1-hydroxyethyl]phenol 7245.71 2783.25 1828.32 382.96 4800.52 6449.63 521.32 31844.94 6544.28 8660.97 1790.11 12243.55 5032.13 549.82 14487.08 3901.66 1809.28 23792.21 19042.94 3479.18 1686.84 19779.53 4675 2331.64 845.8 5656.31 2549.55 4706.1 7781.78 17280.56 4500.19 23327.99 11350.08 9542.11 2507.81 24940.98 15144.41 6559.29 4309.66 2584.84 5992.28 11370.3 11106.1 2604.34 11508.87 4287.75 10685.61 11705.87 10636.83 12358.23 11471.58 10564.75 5330.17 1152.22 12389.83 10364.85 2799.67 3279.13 18836.51 1445.77 1269.32 3908.37 11982.07 11259.62 9154.67 9191.39 4458.71 2797.7 3879.46 18574.81 5679 6628.32 9625.61 3472.76 2784.52 14427.77 10041.34 12203.28 10576.56 10545.08 11305.57 10698.37 13166.09 9619.23 Cinmethylin 663.42 730.08 963.95 7738.79 4544.5 38060.36 13676.21 1191.18 587.18 627.22 593.57 1868.17 8120.65 2334.83 776.01 1630.34 1798 709.82 498.8 1007.68 1173.35 230.46 997.3 961.5 1326.09 482.78 652.91 1217.19 1284.14 957.79 1186.96 921.27 466.37 1706.69 1467.18 1500.67 470.05 731.62 563.44 693.44 15292.33 2274.1 1701.21 770.32 1271.33 5513.16 546.56 1398.32 1123.05 2403.33 996.76 727.05 2687.07 2450.59 2033.45 1502.78 1630.19 462.06 1145.23 4524.18 1233.58 1442.26 1138.04 1898.59 452.54 1380.4 1673.48 1263.18 496.22 553.33 853.45 799.04 1150.94 1273.62 3360.73 6619.15 6577.89 6644.95 6598.35 6559.2 6560.74 6475.53 6621.24 6558.75 N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide 1241.87 2173.8 531.07 1019.88 3746.4 5480.82 1479.95 3080.33 3395.8 2442.73 2148.51 1409.05 1579.48 2061.34 2689.8 498.95 490.1 1781.68 1821.1 4339.74 955.62 2421.86 977.26 1100.75 834.84 1528.24 1522.47 1193.58 651.3 713.58 2603.44 1925.27 1685.12 1228.46 1195.43 484.74 1923.3 505.42 713.05 717.09 1972.28 4165.89 540.54 1029.51 2145.95 723.14 2172.74 2764.85 1533.99 3711.59 651.5 2252.6 1289.9 1020.01 2459.98 999.74 996.45 1053.77 1539.54 580.78 733.02 1234.31 1548.09 1187.02 1392.22 1472.42 2500.49 1307.62 1713.22 634.43 1424.04 1695.04 1011.57 1196.04 1625.79 1667.37 1653.83 1481.04 1577.93 1655.82 1654.81 1513.19 1651.26 1506.18 Xanthorrhizol 25065.54 32433.2 28865.73 28201.03 29188.18 26006.76 38398.44 46865.43 28811.66 27027.03 37167.12 18993.54 18986.56 23918.55 24672.79 22916.28 26915.84 24680.85 24969.11 24332.34 35174.07 20032.81 21133.14 22282.04 24938.53 29186.36 24361.37 23949.42 26781.92 27305.46 26801.76 29316.04 20300.59 23427.62 24473.8 27258.02 25132.19 27657.91 24141.82 23490.47 25055.96 24968.3 24143.81 24292.51 23563.76 24703.37 24038.1 27666.43 27636.71 24682.88 23572.72 24727.11 23163.81 23238.15 33981.35 24408 23899.92 22578.07 24268.52 23509.11 23261.61 21953.9 25170.04 25207.47 25090.44 24549.26 25656.89 24210.71 24316.6 25566.3 24911.11 27602.27 27993.72 22891.12 23257.79 24780.2 24776.75 24873.8 25452.81 25101.94 24784.8 25658.84 24846.65 24443.18 Plakinamine B 2829.61 2328.57 1838.68 2304.84 4966.79 5996.38 4118.39 4655.4 4471.12 1394.1 2269.71 1883.08 3191.8 2197.42 4332.4 3584.28 2051.49 1806.45 2337.17 3000.2 1987.13 3251.56 2099.74 476.51 3127.26 1453.75 2300.65 1915.72 4248.82 578.66 3639.69 5534.91 2223.48 1965.43 1718.43 4660.7 3559.12 3672.07 2729.04 1418.48 2409.61 4447.98 2467.59 1310.23 4216.16 1102.49 4037.67 5540.2 3378.11 2164.32 1313.53 1734.58 3139.49 2696.33 1867.4 3044.22 611.97 1496.17 1676 4485.28 963.81 678.33 3250.1 1340.33 1667.44 4284.01 6152.81 852.35 1731.11 5349.52 2963.38 2830.63 3572.72 832.49 2338.09 2939.2 3026.35 3071.63 3174.8 2950.76 2291.33 3090.63 3077.26 3069.07 Pyridoxamine 883.26 2130.15 2432.11 7488.35 538.2 629.94 1470.77 1448.38 2862.2 1677.39 1604.25 1252.12 7818.37 4503 1029.28 1959.35 941.97 1094.69 902.65 1368.43 1361.19 1232.22 2196.77 2406.53 1080.67 875.1 1085.06 4104.77 1329.08 2771.67 739.2 3138.31 1432.21 5893.5 2653.63 946.95 805.21 1639.52 2848.11 2654.04 1860.14 583.19 2180.35 2850.45 1024.83 6647.98 1400.2 1428.48 2876.2 1041.29 1312.14 1320.91 2395.65 4501.52 2888.37 3034.75 6893.2 6819.11 1267.14 2534.11 1199.52 1133.26 3043.38 6120.83 1800.47 1508.05 1099.54 582.51 571.31 1594.05 1368.62 1947.54 3398.08 7235.81 10984.21 1847.29 1759.58 1733.1 1634.75 2023.88 1553.32 1808.49 1685.1 1849.07 Callystatin A 47577.03 30155.76 21779.05 27467.72 29229.32 23332.52 25925.86 50825.59 32949.22 28289.61 31142.95 30612.41 29038.13 30831.39 35382.3 31909.31 25828.41 22387.23 45473.75 2618.61 35738.01 10880.59 25506.77 37764.76 49554.83 36729.68 49001.53 70137.29 34321.65 38899.99 24310.26 60472.65 1107.77 20682.01 20219.77 33740.14 37476.18 22343.93 37267.26 35321.07 23905.5 69586.6 60998.01 44070.29 32991.3 46983.29 23723.4 31720.53 42423.17 49633.12 108460.8 46175.98 46434.59 47542.7 57791.31 23027.71 19247.88 13905.38 32175.87 15745.12 38546.27 63105.13 3765.74 28848.6 27518.03 46924.07 39927.46 43167.18 28846.71 37862.85 22330.14 30218.06 37743.17 26881.31 40820.22 35850.1 37564.6 37050.88 37157 37155.35 36782.29 37093.18 36779.47 37331.1 Amitenone 2247.32 951.2 911.74 450.69 3215.16 8040.88 2199.92 1865.64 1880.08 1001.05 1352.04 2692.73 2499.77 1251.73 1046.65 1728.73 831.21 2950.37 765.63 2491.7 3889.66 971.91 643.47 729.98 751.54 1077.65 538.34 813.69 797.9 659.18 3880.14 3076.36 549.36 3455.37 1681.04 2925.82 2173.74 4401.27 2176.39 1962.83 7386.59 8594.25 2802.56 2266.28 5936.85 6183.05 4283.58 4323.19 5696.48 17529.83 5668.19 7295.01 2497.56 5302.76 2384.36 4153.19 2205.08 1946.82 1334.43 1975.62 1791.82 1162.28 2980.21 1309.26 1180.14 4311.69 6363.61 2329.51 1270.66 1680.16 2682.29 1458.72 2557.12 6442.64 4368.46 54358.61 42202.38 37000.42 18313.3 20548.13 19057.19 35640.73 17711.34 13702.26 31846.67 39954.75 23985.96 23374.8 37731.79 60225.68 70792.74 34800.52 46665.85 27060.66 33334.36 45595.94 31506.92 32237.68 50198.39 63650.73 3780.12 4942.1 5230.52 4873.46 4775.2 4811.77 4934.62 4913.29 4864.69 Harman 1642.75 1000.81 1536.19 2256.91 803.58 2485.28 2711.86 581.4 1319.08 1243.49 1624.68 4127.41 2026.57 1183.83 917.72 1959.28 2996.53 1222.15 985.97 1938.82 1430.93 1221.32 1011.08 2141.58 1067.64 1376.96 2410.32 2100.48 1536.96 1780.46 764.93 2554.42 499.05 1837.08 2385.14 1409.55 1354.62 1528.86 1846.28 1691.16 1083.34 1672.23 2172.93 1581.81 1376.49 2139.7 1200.87 1375.64 1647.28 2723.83 1634.04 1021.28 1783.82 2250.64 1155.38 644.51 1598.12 1597.13 845.48 1348.53 1148.25 1884.58 1459.82 1341.92 1509.6 1713.58 1371.33 1956.57 1620.82 1386.4 758.44 1711.35 1763.61 1627.24 2118.07 1788.35 1829.63 1938.38 1785.02 1861.48 1781.81 1796.79 1685.71 1793.72 O-phospho-D-serine 102878.08 96237.83 107865.59 106339.05 66440.4 83712.55 108120.74 113264.24 107454.44 114278.29 82641.09 81352.9 78563.27 116648.34 118798.99 117425.23 109272.8 121572.34 115218.86 84787.09 107130.21 72993.23 117108.33 94072.32 17243.62 29879.38 92056.5 86137.36 95254.99 109788.73 22859.91 91637.64 77489.55 98420.3 46782.22 93393.97 100104.74 34041.52 101046.31 99204.71 101489.7 112637.99 109208.14 101489.71 46261.56 52492 65880.68 102468.31 53545.57 100929.67 42902.56 108863.85 109602.15 106708.7 108719.16 134324.19 101728.87 94962.43 119678.03 60178.08 104736.66 123079.54 45680.09 116642.96 110598.19 124385.5 150304.91 121969.47 143472.68 114117.84 112604.16 107789.84 106722.77 39985.35 107094.1 63709.04 65405.93 63252.21 63778.65 61861.73 65416.26 64733.54 38554.12 19373.4 63397.55 37788.75 63853.53 62937.15 63730.95 63762.05 15262.02 64668.69 57894.07 63603.42 60992.53 59661.65 61668.85 63625.99 60954.56 63506.36 72113.72 77357.31 69936.35 71606.45 77456.16 79734.75 69973.45 63004.14 77500.6 5,9-Epidioxy-3-hydroxyergost-7-en-6-one 1531.88 957.41 800.87 811.39 889.48 516.96 1007.65 1106.26 461.21 774.32 2663.43 1269.47 6666.19 1117.38 582.47 875.68 561.93 1681.55 1409.79 595.66 325.52 1195.99 1120.3 312.42 1421.28 628.85 908.69 600.24 966.14 702.15 722.02 1647.94 338.39 351.42 655.52 650.01 696.14 1058.54 656.53 1196.24 990.98 1054.78 1083.48 424.35 338.11 1277.19 513.84 911.57 1781.73 876.2 567.41 739.48 486.82 1470.49 1027.41 1057.95 420.39 372.45 388.75 4223.76 736.72 934.15 532 382.81 807.68 1475.04 2651.52 407.13 911.59 1200.2 319.4 1111.75 532.12 4176.48 1486.5 1360.5 1537.65 1669.32 1521.68 1584.3 1583.91 1358.46 1488.23 1523.31 Bolegrevilol 11156.08 24438.37 11693.67 13899.7 25988.06 53019.61 7593.84 17759.48 32451.43 12585.62 11078.04 34911.32 11196.41 20140.73 35087.56 16200.74 10068.87 43274.41 27489.27 72686.85 35685.74 23251.35 13507.84 26375.69 22480 20907.56 14408.17 17755.34 50900.26 13470.19 42631.98 41202.93 14151.98 13106.76 18616.85 22530.25 12126.01 18105.8 13609.5 13157.99 67734.86 46158.36 27560.13 12751.65 48813.27 6415.81 46363.19 37536.51 6763.33 44320.63 6526.62 26805.44 18617.46 13793.99 10580.96 24986.52 8216.66 9660.01 10647.57 17164.77 10301.88 9468.53 16405.61 15632.11 10381.16 17799.4 82339.42 14742.68 17912.84 16038.02 21503.4 16476.23 11486.81 21623.25 18428.46 26659.43 26679.36 27046.77 27059.86 27875.99 26813.77 26681.36 26662.26 26598.7 Ochrolifuanine A 2348.25 3261.21 13878.37 20697.53 31314.12 28662.58 18333.63 11101.4 16955.64 4323.6 15802.68 10650.64 8517.53 3033.54 3159.87 31557.68 803.53 17009.47 27414.42 23588.57 12239.74 1886.32 2798.57 3654.86 2446.63 3068.63 21544.71 25906.15 4988.81 3408.55 30472.35 53481.82 5480.25 22238.4 21840.55 15074.01 8241.4 12224.01 16260.51 7451.89 25832.17 15664.89 16441.14 7014.51 24342.17 34548.37 20596.54 28118.87 16477.78 46470.64 21047.44 8812.66 11750.26 17754.52 7140.7 7670.98 3704.08 7238.95 6605.5 4133.42 5448.84 6119.48 4666.48 14905.74 10139.61 12162.84 12678.41 12120.55 9321.86 10708.38 19406.92 21864.3 41143.58 26249.08 34508.77 17957.19 18572.78 18451.74 19444.29 17405.47 17514.11 17629.19 18237.83 15337.48 Glycerol 479026.88 84810.52 338718.78 175969.36 324466.42 181272.82 349240.84 417817.17 280361.9 101632.1 454968.94 349981.95 277886.48 486314.41 403004.37 387757.25 342080.68 155705.45 315067.38 98117.49 378769.72 62820.38 292115.05 445600.34 81889.97 457704.11 195836.57 372326.03 83349.43 129404.37 189872.56 346167.11 99882.71 88177.81 343041.89 114880.32 70852.79 90612.3 335822.5 469980.37 274040.61 556878.88 363067.02 332361.37 267003.28 315055.13 170525.22 220122.83 464979.34 261320.54 291273.16 208110.5 139781.76 293849.32 379272.94 184173.64 161598.75 120578.74 260515.81 274034.35 76038.81 128130.67 162854.84 301936.19 175537.37 125029.32 372424.3 344291.82 440894.66 428812.6 208532.67 150347.5 179743.77 198106.2 402540.35 204614.57 238591.45 241649.9 243803.23 206530.63 223714.49 241725.72 242211.21 259109.12 Obtusilactone A 43541.77 82398.56 309019.97 269866.59 707783.07 598250.54 62405.27 68963.12 29107.58 26579.06 33552.25 75992.09 193694.29 75078.15 197995.47 738318.19 471332.73 148568.49 71032.32 76578.27 121370.72 30536.04 19458.85 129552.39 44520.2 38686.24 112976.66 31742.39 64469.65 29735.9 85749.71 125277.5 15732.02 48132.29 169138.57 54366.08 78266.74 46853.23 22492.06 132016.32 187566.78 77185.92 141393.46 97842.66 82581.02 17209.32 63082.27 48630.19 22832.67 605781.82 34258.09 79679.68 64436.13 471184.7 147648.35 251502.81 620072.33 242441.28 70496.84 542865.43 208046.23 119447.02 124676.63 313787.77 156576 211769.23 87020.6 54775.38 141334.28 63357.02 80732.2 63022.3 169994.04 192995.47 144455.99 133997.76 139718.09 140405.38 138709 142851.18 140232.17 138783.42 138534.85 138481.98 Rhizonin A 1036.24 429.6 491.72 1330.13 436.82 528.7 1949.38 1945.66 1264.11 2090.29 895.23 1975.83 337.28 585.47 6047.53 929.17 491.49 565.45 766.77 670.13 287.92 759.25 1337.66 526.61 548.48 210.97 416.78 1072.09 866.93 794.89 2565.68 8031.58 430.54 1550.02 1649.66 244.91 1369.64 531.06 740.92 2068.92 2939.76 557.33 1125.04 892.96 1317.25 1173.6 2188.15 750.58 60127.71 7130.3 4944.56 3141.83 3939.73 2857.58 1032.1 1039.28 1761.11 1742.77 1509.62 1248.23 2442.33 1924.07 474.1 785.55 900.41 2180.24 2280.73 1317.16 1765.47 1010.15 2372.82 265.8 16574.61 38765.23 10021.32 3579.06 3888.06 3373.97 3417.41 3566.68 3565.67 3587.64 3402.5 3365.14 (all-E)-6'-Apo-y-caroten-6'-al 17537.16 22134.01 16235.24 16628.15 25759.22 31060.69 11540.16 15275.2 19138.63 16739.3 10238.81 3570.16 23582.58 24457.46 19189.02 22164.76 18829.8 32541.22 22639.22 34173.29 4693.35 14572.21 12962.38 12418.09 16179.57 22036.62 12945.17 15016.37 18247.11 27511.36 26336.93 27937.35 12469.02 23040.8 16186.96 22397.37 14637.4 24001.23 17899.51 15532.37 30250.44 28900.48 17306.62 17890.48 29150.96 14153.21 25895.14 7652.46 21599.94 30517.97 25254.01 24480.93 21036.89 25269.5 16910.2 23609.57 15551.6 14288.49 18087.91 14377.49 14056.5 15747.81 17075.74 16515.3 14900.23 5663.69 39357.05 17447.77 15136.11 14680.55 20022.27 16889.19 15409.59 23285.8 22209.02 9664.14 12725.02 10847.28 11414.04 11811.68 11020.5 10812.76 9725.71 10387.69 10172.82 7603.13 8743.89 9282.48 8921.69 6741.34 6020.19 9270.74 8948.76 7948.0 9380.21 9917.83 8229.81 8445.55 8717.63 7408.7 23644.2 24150.99 24747.33 24150.94 23965.7 24093.62 23965.66 23961.87 23966.94 Pristinamycin IC 773.38 1154.74 3530.47 322.24 185.78 1216.86 8881.28 1251.02 1535.34 249.99 1197.6 326.68 560.3 338.96 1906.86 2324.27 998.23 548.72 677.28 2074.53 1547.78 1850.63 958.35 343.57 1675.42 3096 460.6 381.05 1033.95 997.56 1189.96 5720.68 1903.97 1693.84 765.34 1924.57 642.98 14181.19 432.95 1229.87 4328.32 2130.77 397.02 5125.3 529.4 3894.02 3845.43 1934.08 1386.09 5365.63 3232.26 5060.4 2543.32 1931.96 1458.47 16553.04 1753.83 792.59 7388.14 222.97 915.08 340.18 4287.39 243.32 951.72 2858.75 8945.55 4101.53 3129.52 954.62 2938.26 2785.93 1193.78 2353.49 1833.14 4894.09 4968.33 4355.69 4766.61 4735.97 4979.65 5185.07 5005.92 4765.27 7-Drimene-11,12,14-triol 1192.98 3088.21 7560.21 10545.21 1497.3 9066.76 5864.51 1827.84 1863.21 5329.59 6999.45 2753.18 7231.56 5272.66 2504.71 4122 3114.72 1629.78 6818.79 2926.82 2151.71 5863.5 3972.62 5897.22 1772.02 3697.67 7164.23 4645.31 1741.53 1721.29 2226.49 7493.08 1532.27 8930.21 5823.85 1664.98 1526.7 5214.26 3158.94 3764.61 832.82 1367.82 10048.7 6224.1 3858.95 3275.86 4315.26 4125.79 4504.77 3361.13 685.94 2882.61 7177.86 6302.94 1076.6 2387.98 5279.52 5880.68 1751.5 1976.87 3149.88 3462.4 1623.39 6445.71 2324.09 1479.37 944.58 4731.47 5954.22 2091.93 4285.37 3310.32 5057.83 7163.16 6560.07 4124.59 3968.35 4149.82 4002.22 4229.77 3889.68 4060.59 4011.97 4084.13 Pepsinostreptin 3644.98 5511.07 6853.19 4139.82 7303.15 4678.6 6398.25 5277.85 6717.46 5896 5116.65 4734.59 3364.6 2877.27 5972.33 3199.2 2762.43 7893.78 3068.9 7770.99 4067.84 2607.2 2852 4061.45 3279.29 4979.54 4709.99 3217.51 4196.25 3570.84 3837.97 5065.34 5023.05 8868.2 11230.9 4197.94 4151.57 4918.89 3651.2 2942.57 528.36 6537.99 4421.07 2359.19 5820.99 4354.06 4816.99 7691.9 2309.62 6478.92 3945.49 4114.78 4122.78 5680.17 3692.96 3672.64 2738.77 2448.79 3032.43 4160.4 2012.75 4929.36 4175.29 4213.53 1177.04 5562.1 3704.16 7463.06 2395.14 4433.83 3704.59 4222.73 3462.64 4352.19 4328.33 5190.92 5241.47 5190.89 5191.53 5183.24 5242.4 5192.16 5272.27 5221.26 16-Glucuronide-estriol 2946.89 3134.21 933.62 2290.48 2804.95 2634.81 2901.36 2685.86 2280.78 1373.83 851.65 1732.05 2438.25 2949.81 5072.88 2772.2 3771.53 3228.33 6852.09 3929.07 1150.01 989.65 2224.14 1345.84 1470.91 2355.78 1213.66 932.93 1774.07 1105.67 1868.06 3054 911.84 618.74 1144.28 1505.55 1365.69 791.66 678.89 1067.06 2530.52 2575.36 794.67 2709.85 1234.75 933.04 3425.88 2783.18 726.21 3122.35 962.34 748.14 1096.77 555.15 3238.27 2370.95 2152.76 884.43 870.18 872.32 1512.94 1379.05 1336.43 1045.68 775.87 2404.81 2278.02 3075.34 3561.61 3401.97 1328.25 1408.76 761.45 2231.02 4723.65 1626.2 1933.1 1885.54 2208.52 1729.38 1787.88 1895.25 1946.23 1915.01 Dehydroemetine 1024.37 5296.49 1267.65 678.53 16026.45 6235.82 6687.5 13736.56 19050.61 2720.91 840.45 4452.74 2796.2 1021.43 807.1 2370.47 2849.66 6208.73 4161.16 4327.7 7397.22 2190.35 2128.88 1340.27 33195.08 1989.58 1487.52 4580.14 8006.52 3657.13 3188.45 3320.75 6343.53 1749.89 3287.04 20580.73 5199.89 4784.72 515.93 893.2 9797.25 13598.69 1296.17 278.32 14018.23 2173.78 22955.39 7304.17 1840.3 1414.75 11679.86 3443.78 2977 378.83 11358.7 6263.37 636.95 1402.63 8964.49 3933.76 2809.17 2284.32 11061.8 4002.07 656.47 13451.46 16169.16 263.81 1105.25 18684.75 16964.68 1392.46 846.22 1130.44 1364.26 7180.79 7763.61 7713.68 9057.38 7599.07 7146.89 7146.7 7641.13 2283.69 1-Piperideine 2105.41 2695.9 4359.49 2204.13 2850.09 10963.65 5761.77 2925.35 2521.38 2609.41 2293.62 2964.44 2574.62 2886.44 2750.35 4002.51 2323.54 2560.41 4183.83 2185.75 2588.16 49210.65 3101.46 2016.14 2747.71 2202.07 2859.99 2272.44 3334.58 2131.31 3891.76 4265.99 1992.21 2842.74 2662.84 2419.73 1372.28 6728.68 2639.32 3502.54 1853.84 1907.89 2899.9 2493.81 2892.75 2781.23 1881.59 2416.79 2206.92 2086.05 1400.59 3725.17 1655.57 2304.35 2169.86 3193.07 5338.61 2354.14 1971.65 22857.29 3759.18 2849.19 2353.51 2346.65 5679.08 1905.9 3043.61 2537.64 2012.22 2839.94 4356.53 2523.57 2043.64 2338.63 1616.94 3475.77 3491.58 3472.78 3526.88 3474.35 3528.58 3609.77 3475.93 3358.37 Furanofukinin 5549.51 5702.58 3809.89 16491.36 33219.29 13982.67 22294.34 9620.78 1653.78 3311.94 2279.66 4326.2 5866.32 4541.69 7423.26 6126.66 5998.58 4548.19 3065.04 1345.9 9881.36 4820 2272.2 3562.79 7290.45 2961.62 2219.02 1938.24 9151.53 1858.85 8511.77 5133.97 1765.51 3434.49 3765.73 5399.58 6652.68 2729.66 2971.09 5235.59 16386.05 16711.88 6283.57 2746.58 7782.7 12465.23 8096.68 3589.71 6255.58 4011.78 1844.55 4134.26 4594.3 4084.1 14632.37 7586.09 4436.57 5722.44 7203.16 7144.5 7281.31 4682.23 8065.42 3965.9 2767.94 14040.33 3556.01 2247.29 6086.18 7066.54 2448.34 5476.08 1592.65 1016.73 3331.6 6760.01 6745.33 7420.88 6763.29 6731.9 7060.62 6243.65 8138.78 6761.34 4-(1-Ethyl-2-phenylbutyl)phenol 853.54 1719.84 977.69 2913.4 11055.33 5702.91 2987.03 1121.41 1035.45 623.41 274.95 422.5 2448.96 303.49 1039 1436.16 846.98 356.74 882.3 573.62 372.96 532.68 1053.37 314.12 478.69 1045.51 862.67 545.23 1638.33 496.32 669.82 310.79 477.93 298.98 1250.91 322.14 654.56 695.97 305.07 1820.98 3480.84 1788.2 487.73 563.06 261.89 3663.45 879.47 510.21 274.68 479.67 513.22 390.14 492.33 1348.54 1992.09 1605.95 415.15 1258.08 857.44 1755.09 553.58 312.78 857.32 744.67 1692.15 1715.44 582.75 662.33 632.85 1283.86 1264.78 448.7 808.9 364.8 747.01 1830.86 1831.31 1850.99 1881.88 1830.89 1882.53 1879.72 1879.82 1833.67 1-Hydroxy-2-naphthaldehyde 2181.05 2665.13 2146.88 2937.17 1371 1370.29 2200.11 5185.23 2693.4 2370.66 4164.8 2652.19 2545.88 3031.39 1864.82 2327.78 2472.07 2547.08 1695.32 2356.76 2522.43 2812.56 2065.68 929.46 2273.28 2934.52 3071.72 2543.52 1960.81 1496.19 2207.95 2371.88 2369.27 2049.16 3274.89 1244.8 3117.67 2470.55 2956.11 2866.65 2302.98 1814.22 2402.64 2306.07 2730.42 2151.89 1718.79 1887.44 2113.01 2039.55 1983.99 2499.65 2229.44 2240.57 2575.48 3005.83 2873 2946.11 4078.18 2142.38 2843.44 3081.2 1808.87 2318.45 3050.05 2766.34 1993.72 2563.69 2828.44 2778.09 2791.95 2619.6 1835.54 1670.13 4125.88 3299.27 4537.77 3396.06 3483.22 2849.79 3441.45 3106.67 3179.44 3401.91 3138.33 2704.08 2573.24 3425.44 3444.3 3604.3 4090.95 3327.69 3167.89 3683.96 3181.93 3543.03 3141.8 3318.88 2756.29 4091.42 2315.14 2352.72 2315.47 2351.48 2320.49 2387.29 2353.38 2313.35 2312.64 Amataine 791.23 7269.02 638.56 11106.86 856.52 9308.61 11776.63 5629.77 8492.75 8384.19 3179.36 4377.17 459.81 10327.31 4567.97 1399.12 9307.46 827.76 1612.12 6597.78 2967.43 4826.12 8410.83 518.71 1535.03 6408.68 586.65 675.63 13245.9 745.2 10126.95 1568.07 8962.14 6549.36 4863.14 9365.33 4793.58 4305.36 5293.81 4292.17 7608.3 8392.07 3730.18 3803.71 7383.5 5085.93 6937.18 5647.74 4571.1 8243.22 3640.9 3876.69 3383.16 6783.25 3615.4 5917.76 4345.46 4159.43 2000.72 4367.93 3485.6 5791.49 4615.52 3786.85 2772.56 5601.9 3538.35 4371.87 3689.21 4883.91 5422.58 7026.58 5123.61 3832.32 5327.01 7617.99 7365.14 8275.57 7422.76 7306.86 7312.09 7630.91 7278.17 6915.7 Heliantriol B1 3987.45 1000.84 2660.52 2483.79 2031.65 2983.54 2323.05 1940.84 1054.11 2934.97 1699.14 10784.57 2753.84 3732.17 1788.15 3671.53 1683.57 1900.51 3241.2 1182.23 1193.64 1347.78 2640.54 2566.71 2242.69 2432.44 3120.14 7234.85 1799.08 12146.86 1553.12 8450.52 1920.05 3966.59 3897.96 1736.68 1496.26 1142.4 4999.78 1877.14 2041.69 8420.26 1313.7 2993.8 1992.65 2294.32 2549.14 1443.22 5156.63 3144.03 1698.02 3048.29 1071.16 2345.87 1153.47 2019.35 2411.03 2180.02 1651.91 3356.27 2521.03 1002.27 2211.88 980.18 1436.92 1623.84 2166.83 2587.02 3674.39 1382.13 985.32 2105.23 732.05 1100.41 3967.49 1751.44 1722.42 1760.39 1796.16 1750.13 1613.24 1652.9 1742.09 1517.47 Dolichosterone 696.7 240 444.22 482.86 1890.69 1969.3 907.87 1377 1483.95 258.37 511.83 1734.51 343.64 1092.4 559.88 1211.09 383.39 1093.11 751.54 1447.03 1084.53 409.37 233.37 809.39 1380.05 1206.76 703.71 462.93 876.45 524.33 909.58 4562.86 1341.78 2302.45 1655.74 1513.11 1798.2 953.14 967.68 3247.14 2573.89 958.32 1010.83 555.11 1764.46 1628.1 2228.9 1247.73 1162.86 2919.67 1074.97 788.79 656.48 621.87 616.06 417.98 1106.78 1009.69 1825.7 703.96 1786.41 1283.71 1043.7 1121.06 238.91 663.86 1115.84 390.01 584.43 1546.25 2862.9 1920.94 554.84 413.6 417.78 2436.26 2347.79 2434.38 2428.53 2423.08 2548.14 1864.6 2352.71 2347.78 Mycolactone 7497.8 10960.27 7906.11 9327 1624.55 18178.29 6767.5 6742.46 7322.9 7183.99 5660.24 8344.8 13693.07 13330.8 10289.82 10557.86 9879.1 14614 10671.19 13521.1 11247.02 8497.4 7581.48 4541.59 5270.1 11443.2 5732.98 6472.37 8142.81 10438.21 14348.21 17882.63 9011.68 10788.63 7159.1 9183.47 8483.44 12685.29 9139.07 8249.41 18065.4 4938.72 8945.99 8507.11 12486.88 7982.72 9813.63 10969.54 6871.01 6196.3 12889.62 14558.14 9431 11595.79 1261.22 12474.83 8802.39 7509.76 6996.98 3925.52 7333.72 6388.96 8331.35 2232.01 6627.46 10696.28 15940.77 9107.32 2886.05 6324.94 10217.97 7999.52 8751.29 14430.72 12224.71 11562.24 12368.47 12371.77 12480.43 12238.93 12219.45 12351.14 12203.23 12203.67 Cryptogenin 28785.5 19177.31 25456.91 1436.28 21061.86 21756.46 18927.04 24077.27 28529.97 31439.13 4702.61 17935.69 26659.79 921.29 768.55 28958.36 921.52 16319.18 43812.57 1308.49 87503.57 5084.97 17131.81 15704.62 31636.58 569.67 1681.64 1161.03 23565.78 45828.65 30775.94 37341.07 2665.8 5495.46 7883.6 29059.9 15828.31 14768.17 21626.31 16457.11 29440.16 41707.92 30076.25 27702.18 8696.64 39457.19 401.14 41243.14 6074.98 13452.23 44060.62 4134.04 9340.93 11336.1 2110.89 3584.78 25809.48 9377.85 5728.56 26228.82 26920.42 6593.82 1750.81 18752.13 21939.2 4398.7 5239.73 58196.05 21812.76 26093.97 23103.29 25410.28 12175.25 10142.1 27833.12 26305.43 25129.93 25984.12 25375.56 25308.17 26415.25 26355.89 29448.91 25116.35 Neurosporaxanthin 75211.67 99369.03 55056.79 64768.38 102020.26 105799.73 41526.11 50654.54 59045.1 61345.59 30502.31 47916.83 59293.31 82675.19 57638.61 56726.02 60649.03 79986.37 81949.64 76887.51 63866.59 49832.73 41920.31 39313.42 51744.92 94276.5 49106.02 50771.02 89190.76 87272.62 87578.15 100900.58 56147.42 75648.87 48278.32 75716.74 64251.65 93047.72 49097.89 63288.91 97939.37 89852.01 58063.39 71401.21 88390.77 15311.94 73325.87 64259.97 63464.57 108660.67 80364.03 85109.73 56689.16 72565.96 57982 73610.14 55846.46 47546.39 55671.31 56172.95 59472.03 51734.08 62508.24 59384.59 44150.17 57220.62 92049.62 56126.27 53386.83 54694.72 65820.7 65220.98 50530.38 68126.32 50726.73 66227.78 67182.64 68051.66 67290.89 67918.89 67588.43 67179.13 67147.69 67178.2 5-(10,13-Nonadecadienyl)-1,3-benzenediol 7760.43 7282.42 4023.02 8568.86 34758.15 6465.52 2879.18 7055.01 8415.3 3647.76 2416.04 3964.33 5334.02 4116.82 16332.72 15643.47 5636.78 21914.35 16745.62 25199.42 12387.64 5567.04 3706.76 6513.85 12344.87 8821.48 3484.1 2961.86 17219.7 5022.88 5911.19 16811.1 3794.14 4681.15 8624.97 14211.86 9786.42 2376.15 859.05 9148.23 17023.66 18187.6 5469.98 3687.59 13588.09 10761.36 17059.7 9387.82 2029.37 14218.03 3479.61 6203.07 5940.16 13817.11 30085.42 15572.14 3356.51 10023.35 12110.32 1129.97 8152.86 2265.63 22519.99 11657.46 4813.8 19812.7 6442.83 2803.54 12722.58 14653.89 4109.2 8293.66 5609.9 10714.66 7446.15 11496.42 11540.39 11633.06 11495.42 11632.93 11200.34 11638.28 11511.49 11501.01 Menthoglycol 1544.13 1830.43 12332.26 8845.1 19975.59 20781.24 16968.77 1883.92 358.8 522.29 1006.25 5576.57 8755.39 1453.8 1872.45 23659.07 12190.38 5200.47 2840.48 1723.38 3338.1 1378.68 2125.26 2115.31 1171.73 740.96 3558.41 909.91 1843.51 1417.02 3369.69 4805.29 1487.23 3177.34 6688.02 2054.81 1031.14 1264.97 1739.48 2329.55 6785.88 2943.67 2076.77 2507.68 1482.5 13479.84 1010.44 1619.92 1035.24 12384.28 2189.78 2444.24 2216.77 12417.76 2208.33 2549.17 9886.47 2549.32 1242.58 8368.21 2657.04 2755.53 1521.47 5988.71 542.88 18365.79 2435.83 1609.54 2149.04 1798.97 1642.5 829.25 2303.76 2909.24 8628.75 5056.72 4918.27 5053.06 4917.3 4922.88 4992.69 4268.56 4964.48 5344.07 Glycidyl stearate 69744.68 51370.63 84735.59 39591.33 15434.28 29416.13 8152.26 11378.29 72431.99 112490.61 13811.66 77051.38 29614.71 49405.28 60910.04 59871.16 103923.63 141431.1 50594.08 79100.51 69507.37 42575.26 45604.82 25156.11 44509.79 53662.8 95207.72 76960.91 38667.43 47303.38 86454.3 64678.99 33638.63 65474.37 63902.96 59682.09 62536.2 103290.61 136017.03 69529.15 55356.54 149542.15 59081.57 63482.99 48162.75 40480.43 34103.83 58581.73 65365.59 62806.02 94386.77 35619.89 67866.05 42885.83 32508.34 43614.46 53344.58 74638.14 58149.08 77574.97 84759.28 78436.11 62651.29 61517.6 73478.23 55836 53108.85 98268.51 75405.45 72077.25 78644.42 114444.1 67872.05 63101.87 56947.37 60354.23 60220.2 60608.4 61016.73 60380.15 60356.21 61044.88 61722.51 61239.06 2,6-Diamino-4-nitrotoluene 2450.62 2849.96 2690.11 6422.2 6901.13 4695.04 3226.28 4734.05 3502.84 2730.08 1901 2731.08 2001.13 3780.97 3025.25 1587.55 3540.02 2703 4297.64 4164.5 4577.66 2657.38 2110.1 2077.18 1668.96 2915.14 2051.11 2743.83 3095.63 2180.53 4669.9 5413.31 1816.39 2655.55 1880.18 3145.19 2630.37 3197.48 2655.81 2887.58 4567.92 4406.19 3491.08 2813.65 4292.94 674.63 3492.3 3342.46 2552.56 6221.78 4029.94 3480.68 3319.56 3753.19 9582.36 3500.76 3480.25 2528.75 2895.99 2323.5 2545.52 2848.68 3667.66 2736.57 3032.23 3583.88 4733.91 3511.62 2569.17 2985.84 3328.71 3276.39 2753.84 3131.95 2474.57 3029.51 3030.8 3031.97 3048.56 3083.76 3134.81 3037 3083.77 3030.18 Vicianose 1681.36 658.58 10853.64 20100.47 6474.55 17142.38 23478.17 3715.37 2003.81 6584.54 8236.74 10012.21 35991.93 16613.93 1174.13 8377.18 11189.18 1333.57 18271.2 3508.76 6511.62 37318.78 1236.91 14935.18 4918.76 4307.98 11869.01 6232.16 9256.69 42194.9 4380.08 59696.38 1945.97 25981.45 23805.58 5898.1 3252.86 7022.31 19202.94 12921.26 36112.2 11081.18 16937.23 23650.38 6148.83 34747.88 1613.59 9111.37 6942.35 9440.34 3584.29 2185.51 18057.95 26414.24 18762.21 3123.85 35588.07 33485.27 1891.23 14997.07 7179.49 15740.85 3505.99 23381.87 3021.84 5063.19 837.97 12146.68 7516.04 2388.51 2067.51 29042.32 12125.23 28020.84 24060.82 13747.61 13528.75 13548.33 13787.91 13636.94 13772.91 13430.11 14211.18 13132.2 5-(14-Nonadecenyl)-1,3-benzenediol 7505.32 10427.06 2585.26 2886.61 7356.15 10830.53 7800.17 8256.39 8436.68 5789.8 3591.03 5882.78 3425.75 3745.97 16039.82 3296.45 3640.88 10495.03 6502.27 18089.54 8557.9 8257.22 3483.56 2968.77 6060.35 8467.82 3579.14 2572.16 6514.86 3452.74 8343.6 5236.48 8026.1 2931.77 2876.94 6869.85 9354.29 7530.85 2663.21 4587.18 7231.83 12472.14 4280.6 3237.55 5925.07 1418.86 8559.18 6894.49 992.52 6649.24 5589.52 7795.63 3458.97 4274.99 7255.43 8938.35 3496.25 4226.2 7367.11 7042.52 3611.18 2508.9 8187.6 3832.13 4681.56 8040.35 11976.6 2761.72 4568.73 11081.77 15424.78 8365.72 4298.65 5685.3 4402.28 6279.63 5817.82 6280.85 6284.97 6127.16 6049.37 6191.86 6482.1 6282.68 (+)-Sabinene 443.07 677.8 1273.73 3188.84 5444.32 6428.27 8206.71 875.16 1274.34 298.09 574.08 574.2 2312.61 778.62 1105.16 1657.06 822.59 1341.06 1000.14 1015.79 1302.95 964.51 2069.21 673.93 861.55 788.62 677.91 820.63 1187.7 682.75 1143.15 1134.3 874.49 1122.28 635.26 739.21 628.65 857.26 654.21 689.36 1661.43 1151.31 773.28 863.53 1065 1373.79 1410.96 1849.17 861.82 1031.47 1889.39 875.28 1202.4 1074.26 1403.76 1043.72 684.97 700.18 818.6 592.44 368.96 532.96 883.33 1166.14 595.32 1133.86 442.77 542.69 358.52 985.03 1205.23 1011.4 429.22 1213.69 808.63 1733.52 1351.17 1959.9 2330.82 1873.75 1863.94 1744.09 1560.57 2086.33 Presilphiperfolan-8beta-ol 35579.22 5984.52 5333.73 4170.9 17567.19 8725.3 25125.55 9015.12 8982.62 7758.62 8662.92 6624.36 5569.76 8520.14 5177.7 9955 16377.98 12815.38 6669.99 3474.14 8057.34 3405.09 3973.16 8616.18 3364.23 5562.37 2173.73 45383.72 3131.76 10266.27 7378.51 12777.4 2736.22 6645.08 11404.4 8913.79 6276.48 4921.12 10237.91 5135.94 10086.67 51041.65 6844.02 11617.37 12474.1 10707.27 9716.7 3191.73 10372.77 12914.34 17017.47 6070.56 7050.58 20511.51 3203.5 6459.89 2219.86 6135.07 5585.55 3659.98 3423.03 7406.81 5893.61 5946.93 21335.25 10585.19 14139.65 63400.14 11796.85 20287.98 5461.79 6286.66 3990.31 3401.43 11857.22 9041.37 8964.65 8877.56 9351.96 9143.43 8870.27 9134.6 9052.5 7198.63 Pilocereine 3784.98 3383.71 914.43 738.7 2226.59 2392.6 1161.03 572.34 2817.13 2497.41 8880.14 1268.38 1703.8 3358.15 2837.26 433.84 2430.96 680.14 1423.23 3073.4 3168.11 2483 1422.64 2333.25 1644.4 887.52 3707.17 2163.77 2368.96 1736.8 2634.63 1844.67 771.38 4182.84 5498.85 3208.9 7921.26 5386.85 3476.58 6095.47 2676.07 8349.79 5859.77 2431.1 8933.94 5298.89 6749.19 2524.4 3875.86 11783.51 6188.51 5136.93 6253.76 5822.99 3679.27 4587.86 1079.05 4297.3 5671.1 3126.2 1306.08 3417.82 4825.02 1905.7 1967.31 6942.06 5642.09 1311.03 2078.34 4450.69 6294.31 10574.08 7833.19 11540.58 6961.53 4188.67 4505.13 5059.95 4443.46 4487.78 4101.35 4501.1 2991.27 4456.22 Octachlorodibenzofuran 3296.29 1525.28 1618.19 1728.6 2409.21 495.26 2937.83 3315.64 4217.13 3973.27 1827.34 4204.1 5578.16 3412.41 3699.07 3154.86 1334.71 2254.65 1182.45 3758.66 816.91 3481.72 2396.77 3651.97 2339.01 3806.96 2330.81 4408.83 9912.59 8175.85 3011.93 1602 732.86 2257.09 1729.56 10947.09 2773.5 3219.84 1785.47 1813.07 5229 3879.52 2059.21 1512.45 3325.48 1913.53 9162.75 5814.95 4343.14 6232.14 4315.13 3131.42 2828 2613.82 2477.84 2974.84 1663.25 1648.34 3033.3 2976.98 1721.4 1580.62 2260.63 3184.97 1891.42 2778.79 4030.89 2467.05 1950.08 3736.83 2209.93 2526.29 1558.16 2651.45 2860.68 3672.02 3709.34 3716.11 3708.77 3654.66 3702.47 3652.3 3656.51 3581.13 N1,N10-Bis(p-coumaroyl)spermidine 734.31 1862.74 2383.57 2279.21 1790.33 1423.75 1348.91 518.63 1615.8 671.29 8942.07 1011.19 881.58 709.11 791.03 2392.71 2048.45 1063.69 556.35 1306.32 406.61 702.29 778.57 2362.46 1067.54 761.9 788.44 625.78 832.93 396.32 970.68 1330.69 603.59 658.17 865.62 486.38 1040.46 911.69 839.29 926.61 704.94 1389.92 1670.43 664.36 1241.34 1946.22 825.44 790.79 832.32 859.1 400.91 1079.55 1203.72 1555.6 597.37 415.51 2600.53 2613.14 518.53 1173.29 2611.38 1133.53 1871.34 1055.36 1298.56 2102.63 1043.88 524.87 469.61 931.6 888.86 508.09 931.99 950.02 1820.41 1005.77 1253.28 1259.51 1260.56 1236.01 1285.64 1170.04 1185.89 1271.31 12-(2,3-Dihydroxycyclopentyl)-2-dodecanone 2992.04 1858.11 1416.4 1316.17 2279.33 4274.84 2365.83 3769.9 1137.13 994 1415.27 4781.05 3957.15 3083.09 1394.41 1915 3496.33 2084.81 2408.34 11395.15 2229.57 1344.83 1053.43 1082.97 4447.67 2271.15 3311 2593.49 1750.02 1753.45 6843.22 17935.33 1956.99 2275.08 4179.08 1189.21 2105.82 1919.64 761.68 911.69 2300.79 1485.22 620.31 3655.38 1793.84 911.94 5640.61 1453.64 2869.09 10660.76 3225.11 675.75 1090.17 1596.59 2227.38 1062.69 1868.72 700.82 1080.7 1097.98 2126.17 1388.08 1333.1 1273.22 1488.71 1731.82 5802.89 3148.48 887.03 1819.48 7342.39 1934.85 1161.19 1662.53 5782.02 1733.64 1948.61 2225.3 1760.04 1820.03 1974.2 1965.19 1991.47 1328.95 D-threo-Isocitric acid 7656.22 7260.77 7862.08 5960.4 8574.67 4368.23 4033.34 5142.45 9214.37 4205.86 1100.33 1098.75 568.73 2573.11 950.06 5993.99 5639.52 3731.13 6433.5 5840.41 6831.82 660.45 3921.69 8146.05 10091.73 8805.15 9363.18 9540.8 9746.01 5728.98 5817.57 6047.08 2343.22 8107.4 6497.24 8707.91 8192.72 1978.9 6271.2 4920.63 4281.04 5568.93 8174.94 4799.35 7004.63 4101.62 8666.7 4557.38 2997.36 4036.96 5184.18 5959.3 7047.47 4509.65 5272.78 7390.79 6819.79 5681.57 7674.64 1951.08 5368.77 5665.28 5491.52 4665.42 8115.5 5042.01 5359.81 8610.75 6063.42 9188.88 7046.04 4693.49 2625.71 3293.57 5982.45 5441.11 5643.46 5701.66 5582.63 5762.93 5348.64 5695.03 3885.21 5570.95 Lucidenic acid G 10823.92 84640.34 40737.04 42657.24 15385.56 87953.41 16159.95 1967.54 2158.92 736.15 17520.51 1730.23 20520.5 18207.34 26941.75 1855.37 25952.28 4098.65 24425.74 25574.61 18449.58 51953.75 69241.53 19995.98 10683.63 62742.57 1460.33 16125.99 17973.09 25854.31 14848.54 5500.8 20227.82 15197.09 29303.73 15098.6 1441.16 54237.78 1300.64 50521.91 20912.31 780.6 50763.36 5256.07 8701.02 2489.71 16612.21 14630.56 3941.79 35900.56 4334.16 7436.07 4635.07 7476.89 3090.56 52613.16 37476.19 33095.26 3485.15 47430.24 6394.24 38525.33 29449.69 86494.43 40979.26 3219.74 25875.98 2569.62 3153.35 2501.74 21229.45 81814.39 7684.26 53065.11 49846.97 22331.61 23063.4 22567.88 22181.97 22144.38 22647.81 22533 22634.06 21919.42 3,5,9-Trihydroxyergost-7-en-6-one 2708.45 3992.72 2053.45 517.45 826.99 10559.52 535.14 5391.45 733.57 741.66 3913.87 2773.6 3202.47 2142.36 5366.01 2627.57 3596.55 6352.19 1971 5248.9 3988.78 1851.66 4061.86 10211.69 3015.32 6230.07 360.21 2952.88 4121.09 9927.64 3849.87 2143.91 9633.82 3823.01 1562.33 3773.63 2573.93 3317.79 2618.57 1126.86 3646.7 10950.77 1543.13 2027.67 5523.29 3462.76 4026.96 1070.48 3506.7 12010.87 4434.26 2279.03 3094.27 1914.47 1983.63 3828.47 1948.37 1823.72 5014.87 1788.24 2803.09 1837.13 2709.59 4606.73 964.67 3530.12 7630.03 3577.56 1888.39 5424.6 1884.39 3034.83 3253.23 2087.97 3154.94 4632.34 4430.81 4331.96 4646.86 4597.9 4369.53 5101.35 4629.49 4316.52 Irehine 201419.04 155325.19 112359.1 169645.39 257899.56 240393.2 204458.44 246823.58 204806.37 242405.84 246499.36 223072.38 271350.61 186694.66 170585.7 248030.37 228338.17 67362.79 242596.53 282617.84 224668.65 141149.7 215484.29 228464.71 213993.73 148961.19 145409.26 188382.98 422114.88 290897.73 270742.62 628795.57 180296.13 477104.04 393420.79 292111.8 93385.72 86491.08 102703.31 125804.62 260971.63 450070.2 259278.82 223315.87 123408.84 135980.92 358257.19 162363.53 298348.18 478244.25 331514.01 181742.9 232895.06 419469.27 188319.37 120643.99 109820.39 108935.83 150024.23 103676.6 163142.9 92892.59 150065.82 274708.91 173986.84 197725.5 222248.13 230276.44 210296.78 226663.22 143539.35 192541.13 175603.14 277369.5 377621.37 243245.63 240243.32 241261.46 240888.61 240232.57 240239.04 240339.77 240229.86 239664.45 Tridecyl phloretate 2854.5 3119.53 6291.85 7585.71 3797.22 23552.61 5830.2 2259.86 7591.46 7837.92 7347.88 15179.83 31865.37 21090.33 2398.5 854.89 4755.18 4743.56 5772.04 6880.74 8767.76 11953.48 12868.15 5326.25 2673.53 6578.53 5494.96 7438.39 4972.07 6513.49 5138.91 15059.86 6132.93 23928.76 8261.12 4565.11 2789.42 11547 14920.21 5273.55 5812.14 14963.05 7134.93 8246.62 8899.09 2478.21 4341.24 6347.17 13705.33 38752.98 19250.71 10399.14 9449.22 35755.57 5820.58 798.4 5025.55 3318.35 2039.12 742.95 6502.06 11249.58 6321.64 3770.7 2651.76 9983.59 9470.14 7919.46 5715.54 2203.35 3557.69 5929.9 5419.15 8099.91 15490.96 11557.42 11426.76 12116.84 11742.11 11530.27 11817.64 11811.74 11557.02 11786.05 Pyriculol 12723.36 16451.59 17796.86 26410.7 17380.4 14141.63 22978.05 15949.08 12334.32 27933.83 24498.84 20363.8 22719.49 20156.22 15299.84 28448.93 20234.76 14917.96 31598.39 12359.27 8509.28 1938.08 17952.54 23264.72 14330.23 15112.49 37725.99 31686.22 18190.16 930.36 8835.73 26744.46 10475.05 29562.42 21057.55 16316.54 11367.73 14282.74 19703.54 19543.28 9916.36 17428.42 26875.59 18057.52 15397.68 17750.49 13593.84 23002.18 17183.31 27807.42 12130.62 15818.22 26522.44 27573.47 10262.98 17222.09 15959.39 17813.1 13488.66 9697.67 17789.6 16816.94 11589.02 21137.72 14809.24 16288.2 7991.05 17805.01 18264.54 10871.67 12645.96 27181.41 17033.71 25804.52 26727.16 18966.12 18658.8 18689.11 18654.29 18835.7 18906.78 18552.86 18439.97 18802.75 7-Chloro-2-dibenzofuranol 166371.09 146265.96 56498.46 80645.27 110766.01 49792.53 44187.74 135701.51 78405.68 131428.2 68465.69 95873.08 86123.23 146820.27 142246.12 75270.43 163277.61 67637.75 54314.47 168932.02 56004.2 147119.15 147327.38 50045.59 63354.8 68589.89 62797.53 165609.17 74838.38 76720.9 158139.87 178088.27 108835.45 149946.41 159469.4 137957.39 137121.89 100937.22 84306.36 150686.79 150112.12 143083.38 63642.14 86039.01 62211.17 61181.03 133662.25 68372.9 82296.41 102089.18 83052.36 103526.93 162773.36 136172.38 44464.82 96963.43 69484.23 77979.12 63016.2 71841.03 115061.92 137620.35 73955.42 131269.72 216265.12 145183.94 144655.2 98566.58 154056.66 87838.01 84889.39 86743.44 74503.17 65210.71 149824.68 92431.99 81499.4 95321.95 94052.4 95518.77 95029.11 95513.56 88979.43 102101.55 D-Glucaro-1,4-lactone 9639.38 9612.31 8144.33 7739.71 8554.82 7751.76 7808.56 10479.41 7115.9 7443.54 9939.24 8070.26 6112.51 7704.28 5798.28 6415.56 6539.98 8635.3 6844.25 5506.86 9560.06 6717.81 6291.91 6571.17 6053.21 8179.74 6780.09 5865.41 5966.8 5656.8 9124.59 7328.9 9686.38 9207.48 7661.6 7467.89 9127.64 7495.29 7216.8 6925.23 7285.67 8290.34 8713.29 7411.67 9526.27 7924.11 11904.51 11189.62 8216.59 4766.17 8868.1 9392.53 6954.88 8226.55 6726.98 7841.95 8252.26 10012.48 9565.91 6345.75 10442.74 9031.89 6907.79 6854.55 7452.6 9470.67 8589.93 7800.35 7489.88 3615.2 7920.43 7063.5 7602.21 9084.12 5341.79 118851.52 118895.13 104216.43 94816.73 92124.33 127638.5 120490.47 117267.14 130906.31 144467.11 121025.94 147285.25 121157.92 108696.74 100851.42 96073.48 110704.08 117455.29 268426.92 90158.62 136801.75 144131.85 115279.1 127754.53 159979.51 7465.86 7466.28 7961.26 6557.51 7240.09 7460.04 7372.53 7458.63 7262.27 D-Cysteine 16674.92 21795.34 21568.48 20943.38 10155.73 20890.59 6453.65 15251.41 15477.29 7906.82 8268.23 12723.28 12873.9 16787.23 5878.25 15129.47 15580.61 16107.8 15394.41 16354.81 13634.26 12048.76 6465.11 18670.18 17907.02 19247.38 19024.54 18185.09 20139.07 18837.63 17407.73 17970.09 12532.33 12938.02 16443.32 17459.26 17333.13 18174.07 17405.38 17831.48 17662.03 16883.8 17457.37 16240.31 15254.45 14455.81 15299.67 15582.58 15903.42 8010.69 8617.02 17402.08 14839.44 14994.72 15451.62 14589.84 15373.18 15999.05 15167.2 15092.93 15053.07 15294.92 7978.27 15588.91 14036.06 16654.34 15783.19 14971.07 15039.92 13794.21 10681.05 15050.3 15527.19 15879.59 14592.38 14590.97 14689.55 14691.36 14690.18 14832.67 14593.02 14606.97 14518.04 14684.21 5beta-Estrane-3alpha,17beta-diol 304.06 3110.02 390.68 21853.15 112992.16 121149.87 144273.02 1169.29 2304.96 1670.45 1445.7 2525.69 9049.65 838.14 950.35 1112.35 1673.44 3196.29 10838.53 3400.81 2609.59 2418.96 732.43 498.72 1010.65 2519.08 504.55 859.42 5533.26 1608.27 3125.07 4576.27 489.31 3076.9 2130.24 2157.07 1172.07 4947.08 2623.68 5061.33 31613.1 16416.71 2735.9 3018.13 4234.94 21420.09 2609.77 9144.09 4525.77 6631.1 3817.49 5287.13 2701.15 5753 4566.8 3232.35 1838.37 1914.31 2562.56 4827.38 1719.31 3841.19 2455.92 2751.51 1556.89 4914.03 2603.57 2357.92 2553.15 1699.84 1201.77 2010.87 1793.96 3961.98 4388.18 14911.82 14811.22 14711.23 14862.17 14810.03 14950.64 14914.17 14808.55 14808.42 3-Oxo-12,18-ursadien-28-oic acid 3182.95 277.71 870.7 7087.5 2989.17 1721.27 14837.33 1470.87 148.58 647.98 2816.39 209.32 3851.8 973.07 180.2 15840.95 2365.46 833.51 1048.41 764.83 661.31 432.67 263.03 167.37 610.22 274.46 1328.7 1188.6 956.28 2638.23 572.9 1859.8 227.4 1936.19 5396.65 593.59 603.25 911.04 463.62 718.55 3793.48 2815.65 160.5 237.09 861.67 40111.14 1079.1 796.11 952.03 1483.02 2904.65 261.71 159.27 2353.16 624.11 158.28 288.91 469.54 338.38 881.11 336.96 365.17 867.79 251.81 1823.22 3047.03 396.27 352.72 601.05 508.11 210.39 215.79 373.92 7121.12 1719.53 2905.11 3117.2 3037.29 3290.31 3564.81 2988.62 2946.16 3111.56 2991.75 Ile-Met 5474.23 4788.97 5807.24 8837.38 23265.56 28968.52 1325.72 1035.71 6537.52 7755.97 15435.01 5911.18 4094.49 6882.75 6523.68 5823.27 8098.94 4247.73 10840.28 4991.05 3976.06 9269.98 8179.75 18962.91 6195.17 5556 4007.38 6319.36 8936.87 6238.49 4577.61 13087.29 4849.25 11891.86 13053.56 6280.42 1838.59 9507.77 8507.63 805.07 9615.76 19447.3 4384.21 8485.54 1437 7421.69 7865.78 1802.7 8857.88 28635.83 5843.06 6872.67 7520.41 17437.29 41360.06 2853.64 1731.98 3662.71 769.1 5476.68 6518.25 10080.14 30451.63 10408.4 7842.03 10793.43 6224.29 602.83 4122.24 9848.65 7742.68 8235.22 5941.82 34762.92 10017.6 9338.81 8548.16 9002.54 8994.06 8897.7 9100.93 8885.58 8878.96 9089.97 Ginsenoside F3 1605.52 1053.57 1037.87 880.43 7015.7 2098.94 1449.76 11066.93 5548.1 322.8 1107.59 3725.78 667.69 2014.92 804.29 1439.84 1570.62 1514.55 742.96 997.63 2359.86 375.71 1307.58 1235.25 3678.51 1720.36 628 1921.51 1236.7 2019.49 735.38 2592.28 273.77 265.58 1925.44 6881.15 6106.3 1704.15 262.92 1413.17 6523.39 9922.31 268.99 1335.29 7480.15 353.24 8732.2 5603.45 2914.31 5335.77 7939.89 2349.16 1736.05 598.84 6617.52 2169.29 2324.46 978.3 7308.71 1374.62 668.75 368.68 3244.67 1048.05 354.88 5421.03 1215.09 647.45 946.92 4258.12 3218.57 269.61 427.68 627.47 241.33 4421.03 3729.11 3883.24 3734.7 3721.17 3965.71 3879.14 3724.11 3237.65 Narbomycin 66960.43 39696.68 23996.4 29408.18 30431.85 20480.35 18755.11 42993.29 23770.52 20759.68 39012.18 73597.23 43093.54 46650.13 39615.48 48473.85 38830.84 45859.45 35136.61 39329.67 45076.36 18552.71 22788.49 37889.88 49313.77 59065.01 32894.84 56898.78 46207.13 63468.97 50586.19 75879.29 22572.6 23625.54 31371.18 37606.48 62307 45075.6 39181.41 37505.17 51202.08 103238.15 44128.81 49419.35 53027.67 49612 45612.5 44297.28 33527.37 72634.15 129250.63 82934.32 53877.75 70693 62823.4 44472.1 66539.96 12823.09 49242.1 25233.84 49235.58 62090.13 33211.32 36326.2 41701.82 90293.33 78668.97 40754.92 48627.41 55834.28 35021.9 29383.69 65461.36 36813.32 36877.5 50554.66 48145.04 46903.07 48014.68 47335.79 47337.53 47977.75 47339.01 48162.99 p-Coumaryl alcohol 4-O-glucoside 14238.22 21916.99 20261.57 21462.99 21686.16 38506.71 9957.12 16086.58 10618.54 13936.46 16096.87 14695.24 21357.23 30669.86 17567.95 15561.86 20393.2 35510.24 15845.67 26967.41 25479.34 14365.08 10948.04 14231.22 14644.13 21200.31 11958.57 14488.47 16845.37 23987.05 46656.89 33501.13 12507.22 25605.34 17353.43 21376.41 18796.03 37532.81 27266.15 20466.22 36511.54 33570.07 27129.14 22917.1 29226.41 22148.35 22568.37 27925.85 26298.66 29598.07 20839.14 19657.5 17022.8 14646.78 13400.35 15897.91 14863.49 13060.35 12044.96 18139.58 14209.74 18096.24 15536.06 14854.22 22874.23 20877.96 36806.94 23548 18873.79 12644.55 24674.75 18656.13 25306.3 33372.42 22783.28 1535.35 3341.74 3066.7 2971.12 2631.67 3153.25 4496.32 3277.94 1086.2 2837.45 3749.03 4317.36 3564.9 3559.05 2335.42 2712.7 2021.21 4326.28 2872.82 3337.26 2220.89 1927.93 4161.3 1468.11 812.81 17210.55 18209.62 18348.96 18093.66 18338.22 18785 18342.04 18103.41 18302.38 Castasterone 3987.45 2957.64 593.7 480.07 4838.45 4229.41 2790.9 6137.17 5528.71 3251.09 972.68 9407.91 2438.55 790.51 6429.59 5304.67 1183.53 5512.56 5877.13 6430.52 7881.7 3462.39 2229.09 1336.91 3921.89 2512.54 2440.67 3068.63 5982.55 6917.62 4801.24 4609.31 2400.99 2834.07 2973 2978.24 3988.35 3725.67 1917.78 1253.49 2066.75 4431 541.82 1316.41 7738.87 902.19 3419.19 3568.4 3039.79 4431.82 3177.6 1631.3 2284.9 845.14 3524.32 2572.03 1744.32 1825.42 2766.41 1900.19 2140.74 2025.39 2773.33 2215.2 1414.18 9139.18 8840.66 1966.13 1235.05 2824.65 6090.06 1358.29 2297.9 2720.28 2509.27 3263.36 3013.63 2977.12 2805.23 2853.57 3204.31 2864.44 3419.57 3193.87 Ophiobolin F 2084.29 543.39 1235.62 2426.76 1372 13471.14 1712.92 1605.14 3371.9 508.97 2323.3 4367.1 5569.42 2014.24 3210.03 5841.91 1010.02 4689.66 9917.05 9349.39 4020.8 4964.76 4377.97 1653.7 1918.98 4006.99 2041.27 2649.83 718.6 2497.86 8819.62 20534.82 3019.74 4319.18 1636.33 3603.42 1077.53 2249.54 5252.49 1265.97 4852.8 4525.17 2107.51 1950.41 2295.87 1609.94 3937.43 8638.69 5072.89 13118.17 2429.92 933.25 2108.84 4097.07 1510.51 1937.66 2297.93 879.97 1526.88 1764.55 2111 4012.21 587.78 1588.22 2207.83 2337.69 2250.49 4724.34 2434.59 1512.95 2427.78 3886.59 4920.64 3158.45 3700.52 3204.64 3388.61 3381.06 3523.76 3619.08 3394.08 3489.82 3401.27 3495.06 L-Allothreonine 4460.53 10437.07 4040.11 3416.27 3167.72 3740.07 2748.99 937.57 4593.18 3885.26 983.82 1006.99 3101.73 1240.86 1094.3 2059.63 3523.66 2515.14 5954.01 9461.39 4370.1 3713.66 2853.8 2052.03 1516.58 4836.08 4106.25 1790.73 899.64 3882.62 2119.95 3048.28 1297.28 1714.56 3582.96 922.9 2692.87 10429.67 1607.17 5265.33 1628.91 3526.9 1232.86 2781.82 1240.67 2715.95 1154.78 3352.35 4504.99 2507.91 2311.09 3825.13 1352.08 1095.97 1932.55 3534.84 4150.49 1629.19 1255.96 2540.01 2301.59 2170.42 5183.71 1564.61 2212.65 3680.08 4496.17 1491.83 3295.29 6231.01 5047.75 1274.76 3735.14 3381.85 4132.59 4421.48 4093.55 4607.33 4104.17 4130.09 5071.94 4471.65 4434.66 4439.35 Dehydrolithocholic acid 6580.25 7133.04 26153.37 2434.94 27126.83 3796.6 733.19 39238.33 34530.3 21742.59 7112.5 8607.91 2902.64 1569.23 467.78 10454.38 7917.85 3652.13 15766.38 5308.74 11487.36 3747.78 581.21 8841.63 12284.34 3315.54 5996.04 2745.21 15921.86 8486.22 3095.53 2610.55 2257 29382.15 17691.34 45834.72 21107.09 2510.32 5536.94 4084.87 3603.45 19362.08 23648.67 634.85 15346.02 5839.72 22974.84 58117.89 82686.64 23993.8 17341.86 33338.13 21529.81 18348.73 45316.93 8170.6 19747.72 9928.62 28107.52 762.46 17676.32 9339.72 36244.61 53983.14 26539.11 26056.71 2227.41 6663.44 2875.52 43864.98 21786.77 14211.91 10373.53 9653.8 17664.84 1174.54 2616.32 1424.47 909.9 586.14 1975.22 533.7 1823.33 2219.52 1202.6 1238.72 1515.64 1587.14 1260.96 875.84 577.64 1243.53 1768.77 1376.79 1385.74 1242.02 1411.41 1906.65 585.93 13303.5 12973.54 14007.93 13327.32 12994.11 12618.76 13003.18 13291.97 13292.89 Tetrahydroharman 356467.86 353721.98 388635.31 367527.44 320923.32 323867.11 523906.26 745091.2 348501.36 356323.54 644378.22 295428.11 289812.52 358175.79 313600.18 324958.51 307517.12 326008.69 313045.84 326180.1 470289.61 281090.29 292938.95 373587.5 335091.41 337304.04 353694.5 357390.32 332809.38 374248.05 348706.23 332272.96 272024.79 341519.2 350330.73 338066.81 348809.27 347481.91 367071.93 358665.66 340476.2 338889.14 354809.16 333950.16 338799.79 325480.49 310495.31 350190.85 294356.42 330091.27 320260.07 360887.52 332672.1 325885.96 489146.93 335363.4 346529.21 363082.5 320487.36 366536.21 350350.54 359175.86 332779.35 350003.96 353273.77 343103.9 348405.03 352352.78 360114.31 328308.25 327115.29 331616.55 323808.59 312059.98 341545.37 299921.58 635607.65 291076.03 307930.55 290821.95 290270.43 299481.25 295638.4 304450.44 286405.28 302920.65 299316.06 293367.08 293690.8 295302.79 272991.02 304226.32 293078.24 305417.51 293160.25 286815.3 292096.9 286494.07 292291.57 306722.87 329804.89 329805.53 329044 329353.1 329146.08 329806.91 329811.68 327089.49 329045.27 s-Dihydrodaidzein 2848.65 5831.58 3932.13 4398.12 4360.49 5123.87 2884.33 7934 7689.93 7087.17 3550 5261.52 4164.55 3857.64 4888.89 5641.62 4061.31 5455.37 7283.13 6328.46 6671.96 3318.8 2773.49 5430.15 7780.98 6807 5345.34 6349.86 8059.24 7070.34 8231.99 6793.74 3749.39 3963.67 3893.97 8657.21 7383.54 4547.36 4825.84 6828.05 10693.65 9723.63 3542.34 6570.47 8321.37 4285.83 7926.2 6813.52 8192.02 7656.94 6305.43 3982.28 3690.57 6209.5 6025.06 4736 3888.37 2605.51 6574.71 3569.41 4075.54 2864.5 4461.09 4746.64 4622.51 7575.38 6858.19 6351.75 8470.37 7356.94 9419.22 6357.71 7604.02 4669.91 6254.49 6804.01 6770.63 6696.14 6799.9 6662.68 6697.26 7156.92 6694.1 6699.59 Campestanol 7190.28 10271.21 6049.03 5684.95 6996.68 8346.72 7813.11 6411.82 6258.83 8579.22 4453.87 4678.55 6856.26 8704.02 8196.5 8672.36 7586.14 8581.34 7760.14 4687.53 7091.11 5953.23 5400.87 7765.3 8678.75 9827.36 8026.42 7568.64 8644.74 9312.67 7273.65 8926.63 6085.73 8569.3 8309.86 11199.44 9674.09 7269.56 8465.32 17664.28 13836.09 7860.5 7440.98 7079.9 8511.55 7388.25 9870.61 9587.74 4320.39 8772.79 6664.05 9372.96 8847.93 8666.41 12978.39 8813.38 9117.64 8861.06 9159.99 8306.87 11107.21 10034.09 9267.59 10022.67 6216.75 10136.33 9683.22 8913.5 14045.81 9453.88 7613.27 9954.66 7570.21 7338.59 9731.82 9124.02 9184.74 9036.2 9123.78 9482.47 9205.64 9191.67 9166.66 9122.28 Cyclo(L-leucyl-L-leucyl) 3124.09 4900.11 2609.05 2743.26 8533.01 2614.93 122365.64 20132.66 25192.69 5571.4 80227.81 726.7 1772.74 1366.02 13922.89 3302.08 1071.37 6330.37 4110.38 4930.8 144188.15 2705.6 1212.89 3175.34 9874.45 29208.49 3637.72 1267.97 7680.2 2473.12 2341.09 2475.61 6182.72 2195.63 5069.27 17078.17 5289.53 2977.11 1512.23 7399.8 1536.21 2059.81 6533.76 2016.05 4116.88 2478.11 4825.05 835.67 2553.9 1923.29 1978.01 2409.86 5309.52 7440.51 157817.4 3258.01 3231.79 11785.89 6413.25 13128.66 1891.99 1186.96 9885.72 16389.05 6977.35 4893.32 2044.9 906.7 1310.47 6372.56 25047.97 1954.29 5517.06 9136.09 790.2 113218.98 105498.89 185222.84 112216.49 115470.96 114083.51 186241.26 112742.1 118697.77 115044.92 187886.73 188107.33 108565.8 108689.54 118468.7 103314.64 114588.27 108675.3 178674.73 106839.96 110269.1 106540.76 109643.44 187028.64 109007.68 5146.44 5193.67 4995.52 5087.75 5236.23 5565.7 5098.93 5061.44 5192.21 9,19-Cyclocholesta-7,20-diene-3,14,26-triol 2036.8 135.59 631.71 6697.44 1739.76 184.47 2812.23 446.46 131.37 278.37 2013.83 1518.18 4534.02 552.11 521.34 9745.68 1053.51 420.48 801.81 228.56 356.96 273.38 145.44 133.31 463.5 691.49 826.63 906.24 732.63 2455.75 126.65 5777.82 198.57 3971.34 4891.46 409.21 341.21 619.84 768.5 753.75 3962.47 4494.2 381.75 293.34 657.04 34096.95 373.49 411.75 510.65 2836.5 651.79 520.72 354.8 1421.5 210.46 382.38 249.26 429.09 287.48 286.93 500.48 924.95 314.73 712.19 1133.72 4947.55 813.7 388.85 800.55 225.72 375.12 498.51 481.93 5765.68 2257.25 2785.35 3015.66 2961.33 3014.46 2967.55 2946.42 3099.3 3016.73 3012.82 N(6)-Methyllysine 2316.93 4175.01 6172.94 6284.08 11412.79 10225.3 1491.69 1099.13 2188.97 1225 3539.51 3038.58 5105.56 1523.94 4399.3 15000.47 4317.93 3799.58 7234.93 2970.52 5040.61 3324.33 4670.83 5077.58 4991.64 2797.75 1814.93 2061.85 6346.92 3657.19 2781.75 5786.39 4704.08 6000.17 4879.72 5176.3 4201.47 2498.15 4345.65 2310.72 5320.48 4623.4 5140.24 2723.73 3687.21 6740.16 4681.29 5374.72 6383.26 5266.55 3847.06 5814.19 4878.37 4916.97 6325.73 4180.43 4592.78 3816.87 4314.03 3272.61 4234.27 3225.17 4384.78 6959.66 4219.32 3686.24 3598.33 3277.71 2088.26 4409.25 2278.19 3249.1 5251.51 4998.21 4351.35 6143.33 5647.4 5762.76 5724.17 5597.25 5605.86 5628.18 5757.15 5466.96 2-O-(3-Hydroxy-3-methylglutaryl)fasciculol A 8454.56 9325.27 8293.74 9381.36 12790.54 38542.39 15594.12 6473.67 7136.81 7705.22 5054.37 8555.76 12654.95 10183.83 9052.95 11864.24 8235.66 11466.21 14261.3 13044.16 9855.33 10205.75 7625.22 7121.66 5750.72 11203.37 8243.95 6779.9 11667.75 9662.08 11778.05 18881.02 11516.89 11032.78 9643.15 8927 10772.92 12358.55 7815.27 9875.77 13402.77 15347.12 8301.44 8712.99 11036.31 11497.31 9893.84 7456.54 8193.1 20463.58 11284.87 11221.46 7802.74 10330.64 636.44 11230.85 9445.75 7122.48 7682.58 10776.71 7765.64 7258.69 7660.43 7739.76 5691.85 7451.79 12690.31 7105.96 8292.36 7108.62 7879.67 9803.46 7045.66 11759.48 11945.34 12560.74 12890.1 12561.04 12850.39 12930.18 12582.65 13845.26 12578 12903.24 N-(14-Methylhexadecanoyl)pyrrolidine 2346.48 3595.52 2534.97 2802.47 1275.26 5999.1 7905.55 2239.6 2315.31 3381.67 1237.53 3644.41 8198.79 4695.56 3406.28 5452.13 4204.5 2960.26 5102.95 5153.84 2341.66 9505.36 2889.5 4099.78 1181.1 2797.25 7314.9 5703.48 3571.35 7041.6 2867.49 6062.57 1321.51 3915.26 2864.52 3301.89 2156.62 1993.09 3418.57 4808.79 13284.5 4429.5 3580.93 3600.66 2670.49 4445.34 3336.32 9288.44 2369.68 6231.49 2581.85 2451.64 3659.91 4174.96 2954.47 5039.68 1179.88 1750.6 2133.82 9190.95 5706.84 5664.68 1889.13 3117.34 1888.62 3265.22 3445.49 4883.49 6249.11 2497.38 2111.03 6237.3 2199 2929.82 4401.77 4859.41 4873.84 4877.02 4905.27 4888.61 4888.64 4859.49 4889.29 4889.13 Dehydrophytosphingosine (not validated, isomer of 1677) 19778.82 14816.11 43651 23800.35 32822.22 34603.14 40185.83 16393.43 15641.8 11415.84 16409.46 26691.15 39265.76 22049.66 36493.87 57754.62 68190.27 24848.48 38967.14 18394.89 22054.18 17551.24 12755.47 27981.37 14539.19 11166.53 21531.23 15364.25 28594.61 18042.94 803.87 29100.69 38293.72 36067.5 22454.98 16764.18 13234.75 14336.08 14220.84 28894.86 24180.02 18855.8 18510.92 18440.37 12487.81 34633.6 16476.17 44657.87 15989.05 44826.91 3830.5 15211.52 23681.19 32061.97 24360.79 21471.71 81498.92 25970.25 55405.77 20026.39 22862.45 20049.74 15128.5 24918.9 24344.93 22254.69 27065 21110.26 17391.43 15618.14 23739.96 14172.5 15881.03 53295.68 28999.77 27198.33 27803.57 27198.79 27205.45 27037.02 26932.08 27036.25 27039.97 27039.56 2-Amino-4-[(4-aminobutyl)amino]butanoic acid 2234.56 2454.27 1524.91 1045.4 928.57 2149.2 1015.49 520.07 622.45 2101.04 1842.6 1402.25 1232.95 700.37 351.12 350.28 1279.55 6729.19 688.06 856.23 514.57 940.25 1764.97 400.87 1391.99 1731.14 550.28 1361.68 8069.55 929.39 9548.07 1574.86 1647.98 1713.56 2276.99 13745.24 5413.03 1218.79 745.49 973.68 7403.6 29312.7 1708.46 437.5 4547.08 921.68 3417.91 1350.82 1621.73 10122.8 1512.49 532.17 770.2 642.59 710.01 370.16 348.55 347.53 610.66 2552.33 1967.15 1997.81 975.2 338.82 2797.37 4380.36 3402.78 541.19 1458.5 933.94 881.72 3076.58 2893.14 531.59 3202.25 1872.79 2282.93 2215.82 2308.01 2146.7 2565.03 2141.75 2071.32 2290.92 L-Cysteinesulfinic acid 8713.7 6543.47 31419.31 56136.51 21494.6 45302.92 66949.4 6654.03 5558.19 12930.11 22385.74 25573.21 100172.39 46119.68 4998.91 24285.49 32221.57 9386.88 50211.35 9734.76 15928.01 91761.76 53475.29 46909.05 12378.76 10767.55 35933.65 17686.68 23545.1 122170.29 10895.97 141342.18 4145.61 68614.66 62728.53 12736.53 9817.09 17807.15 58365.59 33872.74 94843.53 30273.44 47966.44 71327.38 17085.38 102394.31 7043.15 23107.76 15928.77 21331.66 12544.34 7401.44 52487.66 74485.5 60260.86 11889.83 89211.13 90028.8 11893.02 58429.43 26431.35 49207.97 9573.26 57228.23 12811.71 19065.12 6627.3 29089.32 25950.65 10158.15 2627.22 77163.95 37980.53 78903.68 65356.45 38196.52 38461.51 38339.12 38229.32 38059.88 38340.02 38341.75 38308.95 38195.25 (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 33865.88 24884.09 38396.17 2369.05 2187.6 2764.83 8778.52 74356.28 9367.55 6040.86 25846.77 3093.83 2975.23 3100.16 2751.21 41822.27 27024.85 3585.25 47514.93 42330.53 62419.05 2515.11 44900.74 25200.24 43875.05 28261.94 4540.78 23602.99 68179.58 36868.87 2193.57 68258.85 27463.35 28987.15 31764.03 61095.2 42224.39 4165.22 23000.23 10272.62 35902.04 51677.73 20576.34 8184.05 41384.68 30523.84 43729.44 46721.14 41124.52 59269.66 44028.61 35664.15 74217.18 31453.86 48102.15 8113.85 30006.01 13904.78 54104.83 1540.65 36248.62 32497.36 24790.95 49443.06 27811.28 21847.83 3917.53 15866.12 15831.3 57402.49 5983.4 27718.07 36978.24 21570.44 33928.43 37288 37291.55 37293.35 36513.62 36395.91 36686.56 36274.74 35215.32 36760.07 Chlorophyll 589.93 926.57 1892.81 532.79 919.33 5028.96 557.5 911.6 11755.41 509.79 1174.9 1441.03 436.55 1902.52 696.71 1101.43 719.53 843.26 1691.1 475.67 428.48 462.33 657.24 442.48 713.77 11706.36 379.05 793.59 710.1 9627.28 10556.37 3047.28 720.25 10485.86 6832.13 3917.53 9494.88 8015.08 5458.24 5465.85 13309.46 9633.83 6361.31 5297.72 5855.77 7765.98 5194.88 4553.45 2517.15 3938.09 6445.32 8326.83 4960.94 6023.45 6856.44 9386.59 5999.09 4632.4 7933.88 9326.05 5635.33 6841.57 7479.48 6123.83 4593.47 8685.46 13186.26 3448.97 4065.38 9677.65 9925.94 8743.8 5972.74 8900.85 6680.84 7911.2 7934.01 8006.22 7980.4 8008.75 7741.15 7906.46 8005.33 8006.77 Aloe emodin anthrone 1119.39 1201.65 2043.04 1571.97 1374.98 1017.22 1041.32 983.14 2783.89 1354.98 1145.14 1289.87 1072.88 1637.68 680.4 1903.09 1060.69 1792.96 1466.77 1471.96 567.58 1423.4 1412.44 1961.51 1286.44 2991.6 1373.15 2012.89 2354.33 656.03 1166.05 1952.44 1737.04 1879.93 1158.93 1971.96 1044.95 396.19 934.06 1019.74 884.13 1381.12 1467.76 908.76 1199.24 756.82 1500.07 1156.17 868.47 1798.15 881.68 1604.24 2402.86 1239.61 915.4 1800.16 1235.83 1654.97 998.27 906.77 1116.72 1127.31 1291.01 1286.4 892.93 1066.44 1031.36 1548.28 1455.14 2951.52 1075.17 1533.88 1346.15 1391.26 1744.27 1915.94 1905.69 1939.27 1882.27 1899.37 1899.61 1993.91 1934.67 2006.87 (25S)-26-Hydroxy-24-methylenecycloartan-3-one 475.1 697.2 671.16 3207.68 1558.36 7668.91 3009.25 2888.57 4928.71 495.87 413.8 5775.18 622.11 462.31 341.89 829.87 571.02 4195.17 4253.8 2951.39 1002.04 2393.53 1621.81 3280.96 3666.68 7843.21 4933.05 2117.86 5840.58 3920.2 2094.42 1261.38 1896.54 1249.85 2687.09 5175.41 3163.32 6649.13 2103.66 1240.97 4080.93 3609.35 1810.83 1922.82 6381.16 933.63 3869.38 2411.56 4111.56 1146.98 1736.9 712.91 1543.49 4219.54 1034.99 1308.41 536.81 1315.78 1271.7 1635.05 4032.54 1802.48 5213.47 867.23 331.38 2380.44 3201.52 520.03 5787.57 780.4 5207.51 1034.66 2100.95 2534.06 1655.81 3822.33 3766.66 4398.58 3978.46 3955.56 3786.7 3691.96 3802.51 3820.72 Chlorophyll B 1310.46 3356.55 488.14 704.69 3260.06 879 1102.84 398.81 1278.35 3894.99 3036.06 1642.55 1184.86 2203.9 2308.05 2967.61 3430.88 1028 3000.63 1478.4 885.1 2182.74 3545.92 2396.7 813.84 678.61 3229.54 2503.06 1974.78 1867.02 1592.25 1318.02 1742.52 14629 12577.65 10520.22 9477.98 2194.02 7398.12 5345.34 1032.93 3300.99 11529.01 3589.64 3987.01 7056.12 5600.68 14255.34 20788.43 12164.96 4214.54 5378.1 16861.81 13006.44 6655.69 5055.8 6307.75 5422.32 4292.27 890.85 11306.78 6619.1 10021.41 16584.06 5995.12 7011.33 1065.85 6468.15 5984.94 8815.21 2642.82 8737.95 9078.49 13502.04 14957.97 7709.77 7396.94 7513.97 7197.41 7267.36 7460.23 7255.82 7259.35 7472.14 2-n-Undecyltetrahydrothiophene 1653.1 912.55 3004.85 2935.66 6245.61 7581.13 1954.87 1995.15 1477.53 1829.13 539.11 1215.15 2833.22 2253.38 1440.73 11455.57 6751.94 2685.41 1586.76 1625.06 1340.76 574.69 436.39 560.66 1362.44 1341.64 746.41 674.8 873.73 722.81 1147.26 2773.45 985.1 1498.82 1651.14 2658.98 451.36 1106.29 837.04 560.17 3180.92 1441.87 1954.35 673.51 2122.88 1738.03 1154.06 1129.64 2219.47 8746.53 1255 2223.67 1107.96 5521.17 1418.96 2958.33 4872.67 2414.41 652.75 3134.37 1959.5 817.03 1439.56 2237.43 1132.06 2358.95 1746.18 765.61 843.26 559.22 773.09 533.59 2701.13 4970.63 2231.28 2738.29 2838.8 2844.96 2768.16 2780.26 2662.12 3117.39 2765.44 2891.88 L-alpha-Aminobutyric acid 3628.68 687.4 1946.05 1122.4 541.16 3431.1 2144.46 1653.67 2432.59 1333.59 2056.09 1160.82 1480.23 1416.34 1954.98 3029.15 1371.35 961.7 4942.8 3167 836.44 1168.02 1928.16 1438.63 1878.34 3726.18 3382.4 2687.11 2468.24 1827.25 2847.43 3752.85 897.44 983.33 1319.28 2395.03 1982.52 1419 2561.47 675.85 1882.44 2968.51 1512.78 733.22 1609.08 3630.42 1564.75 597.33 1064.5 2271.01 1741.76 1729.7 1685.47 1671.71 1306.86 1861.32 1017.98 1626.25 895.12 1257.24 818.44 1577.31 2142.23 1535.68 545.88 1908.66 2983.33 601.83 479.89 2011.31 959.95 3310.89 1846.5 1814.42 1731.23 2065.58 1805.38 1647.3 1675.06 1872.29 1357.17 1601.22 1862.29 1897.98 20,26-Dihydroxyecdysone 1794.93 14380.77 22725.39 9774.67 2258.25 18798.91 3936.97 4059.92 3553.17 7717.45 7486.77 5240.3 8240.05 6323.55 4701.67 7603.13 6761.34 925.67 9101.82 6276.9 8341.21 8095.73 5841.14 15718.36 8046.03 16403.26 9323.06 9560.49 1366.69 6402.65 6648.01 9055.95 11525.49 12240.39 14746.68 2367.25 3640.17 44154.89 11066.91 13027.31 5175.52 6619.4 10816.51 9461.25 861.94 1763.63 1736.27 4134.21 3626.14 6190.87 870.67 4054.15 7097.64 4758.87 2731.72 16518.66 8812.89 8733.73 4001.32 6605.64 7190.39 9660.21 11032.77 15881.77 1375.31 5040.81 5357.84 11159.97 7966.59 3162.89 7150.16 7844.7 8748.19 9664.43 12047.43 4807.68 3925.31 4729.59 4898.25 4971.67 4835.8 4879.7 4742.32 4896.31 4-Hexen-1-OL 1500.07 902.66 889.24 1012.72 5740.57 4289.23 2473.98 2329.42 2210.57 4508.47 1126.25 4139.58 3260.33 2368.53 2509.69 2945.81 385.56 2440.71 4262.36 2248.04 2295.55 2185.59 2034.95 1477.23 2067.48 1188.37 677.3 1268.51 3897.93 2208.62 1222.72 7420.35 1896.25 3351.22 903.92 2773.24 1140.33 1758.61 1066.27 686.42 2551.15 3166.66 1140.64 580.93 3331.41 1867.25 2038.9 2161.7 3280.31 3938.24 2375 1906.64 2163.46 2548.6 2284.91 1548.33 659.18 1020.16 3003.9 1119.27 608.75 1165.64 2035.96 1432.57 757.29 3313.38 2207.73 964.62 961.9 2056.77 1062.34 2083.02 1068.1 1217.91 1466.66 2722.81 2701.24 2794.83 2778.51 2843.29 2944.4 2734.5 3205.76 2726.88 Glycine 4159.35 3267.87 502.02 4885.63 11085.02 14710.26 10404.65 2911.39 2938.24 2172.98 4025.27 2841.41 2509.82 3185.27 4252.64 3961.91 3731.29 3054.92 3373.11 2258.23 3005.47 1219.11 2167.43 3306.56 2831.02 1936.63 2488.04 3509.09 3376.08 3008.35 3842.51 2668.51 2606.13 1799.38 3826.88 1970.14 3687 4868.39 4862.46 3178.07 3636.58 2977.09 3142.3 3763.84 3078.51 5729.11 2974.2 3309.26 5894.13 5127.38 4816.73 4027.16 2928.45 5703.99 2437.3 3956.18 659.84 1676.84 2782.55 6536.63 3777.82 2989.05 4988.41 3109.61 3455.14 2531.41 5369.1 2823.51 3039.09 3737.74 5963.68 771.61 5966.07 4031.55 6184.72 4603.39 4655.91 4617.47 4648.87 4602.95 4603.64 4684.74 4617.44 4601.47 Hydroxypyruvaldehyde phosphate 1575.01 2508.68 2421.44 2021.86 606.9 617.84 1777.59 6080.45 2760.06 2619.43 5586.79 2550.46 1745.19 3360.26 955.96 1892.19 2092.77 1746.79 2337.4 1756.05 3196.17 2232 2423.46 2874.79 1850.43 1101.07 1820.08 2324.82 1870.77 2213.91 2245.42 1129.79 1138.07 3010.56 2932.14 2314.52 1591.22 3133.52 2275.8 3259.71 1003.86 1568.19 3092.58 1600.36 1663.84 1787.14 1790.36 1670.75 3083.52 2639.22 1482.71 1953.77 2951.41 3270.81 4144.84 2914.38 2849.33 2758.37 1390.1 2742.19 3077.5 2303.24 2625.73 2491.11 2327.21 2210.55 2719.9 3178.28 2093.24 2703.6 2675.85 1413.42 2096.63 2439.47 2433.17 1861.12 1865.52 1875.09 1948.06 1948.23 1943.19 2066.55 1858.47 1947.48 Bergaptol 36208.49 48592.05 31398.63 31396.91 28865.95 24318.96 33736.87 42001.26 28408.64 45232.54 33187.26 34373.41 32654.7 39225.59 40355.78 36665.77 32390.24 35653.77 37711.3 16790.62 15974.71 10198.07 30650.74 37051.21 40950.66 34153.55 43713.44 39333.95 40792.81 4853.44 25050.33 32438.03 36652.44 32477.74 31838.56 40870.9 37609.35 39835.67 40136.69 50256.2 20000.82 32852.72 34761.96 35004.18 29433.3 30565.15 31252.25 39778.59 34623.42 31140.15 30781.85 35245.38 32663.37 32123.8 32783.97 39480.46 30696.68 33062.93 35558.06 28896.65 29957.22 35725.47 34997.65 30192.33 39545.69 40199.05 28942.46 43252.77 44197.83 39917.72 39690.37 44859.59 37223.55 38616.98 36842.57 35633.95 35289.38 35076.7 35292.45 35020.49 35196.51 35071.66 35072.58 35073.68 Cassine 15095.56 22696.26 37356.31 17696.65 42698.47 72724.19 21039.07 18997.49 14186 9878.77 10952.3 12513.95 20322.04 14649.58 54586 54152.44 81378.64 34999.3 34693.05 26865.05 18937.29 42642.09 8565.91 22814.36 19286.72 8888.06 9726.11 12431.65 44989.1 12291.49 13502.35 30909.15 53087.22 17852.35 29978.13 21560.72 14224.89 19554.05 9724.29 17286.06 25486.7 22994.57 16518.94 14981.97 13284.16 20211.25 23619.47 76245.24 13178.31 35601.1 17958.73 15727 13651.92 20449.47 40363.82 35997.95 64659.95 32002.67 55262.06 47649.24 18569.3 20102.2 19151.85 27855.45 30865.97 25350.81 23617.63 21855.76 13474.24 26178.56 30427.74 8475.34 14946.67 77947.54 27092.98 29030.21 28847.22 28734.81 28734.79 28738.07 28218.14 28846.88 28735.21 28750.04 3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol 1835.46 2287.84 2039.28 1328.69 2353.14 4252.69 3123.23 3371.49 3357.26 4308.87 4401.92 4586.76 13823.26 10336.49 6256.5 1649.11 2131.82 9100.23 6765.43 5900.51 5010.51 6901.89 5691.59 1450.4 4219.63 6992.74 1874.78 1798.08 498.82 4352.21 9327.48 7298.47 7256.35 5940 2726.88 5177.57 4918.33 8780.41 3997.84 4723.82 12540.89 13678.42 5162.44 5027.4 8904.09 7873.64 6061.76 7746.03 4518.83 22029.49 8952.69 10657.48 6111.28 6052.77 4063.32 9419.64 5285.56 3466.14 4311.44 4466.28 4171.12 3210.36 4729.46 4140.74 3486.83 7612.54 10848.13 4417.8 4479.98 4352.22 6204.31 4570.41 4953.95 11507.25 7283.01 8398.33 8180.72 8479.71 8223.78 8195.84 8457.54 8207.94 8427.07 7892.22 Bromobenzene 4720.78 5524.11 3429.32 4052.92 2969.86 3782.04 9339.14 11677.89 8815.83 8993.84 1221.52 7137.37 3691.53 5518.6 5414.5 2960.51 2616.19 3945.01 1960.62 7188.98 3311.52 6132.29 10609.64 4483.46 11728.06 4320.78 4826.69 4167.29 6281.93 5202.02 9112.95 4919.83 5793.4 8774.46 9072.16 6586.72 9642.88 9955.4 8886.82 9816.84 11089.42 11932.56 13772.08 14574.92 13573.43 11824.87 13243.23 13048.26 10801.72 12914.99 11545.55 14751.19 10479.68 13662.98 14340.17 10849.06 8734.63 11687.14 11484.01 10283.35 2581.52 11648.86 14083.33 12185.99 13847.41 12293.14 14666.45 11326.38 13879.26 8927.86 12872.3 11876.36 10127.94 12133.13 13313.3 10163.41 10587.51 10223.89 10571.66 10578.65 9373.17 10649.06 10331.06 10575.09 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one 50900.73 51497.19 30887.23 35504.19 69166.34 75424.25 48864.57 63523.24 69520.23 48174.48 36895.78 39586.84 42353.21 35822.5 55916.08 54035.46 29982.78 50465.65 45767.35 68512.55 58058.86 41418.93 32196.62 41871.46 63963.83 58786.81 39300.46 47821.76 73151.36 30726.98 67518.3 58903.19 35279.14 54213.19 38889.77 65649.65 55536.33 53222.89 41559.04 34593.13 82122.88 79795.04 42446.86 34121.15 66220.97 38200.59 64639.32 39859.28 36573.93 55219.15 59767.45 67206.57 38657.04 45878.18 38159.77 52829.17 26307.8 31080.41 57487.23 37542.53 30399.98 29440.17 39346.19 36903.86 30793.35 61376.06 63306.31 37455.78 37375.82 53441.31 50972.58 46945.32 36368.77 55752.52 38784.16 49341.3 49299.27 48739.33 49292.5 49094.32 49345.29 48035.44 49359.24 49279.92 2-N-Dodecyltetrahydrothiophene 3131.93 3538.31 5681.97 2500.36 8521.78 4966.48 1004.03 8948.2 7780.38 857.29 1266.64 10263.55 1752.27 2798.57 25644.73 4814.31 3487.7 4000.22 5695.54 10483.38 15225.88 3749.52 5855.63 5539.24 8841.77 9725.13 1368.13 1421.79 7682.45 7455.95 9076.7 5945.63 13264.8 2999.15 2676.92 11316.13 5005.46 7893.84 7124.14 1990.5 7419.84 7883.59 3478.9 651.37 15637.05 1603.62 10754.89 10206.73 3329.67 2435.44 5240.08 22285.39 3059.04 3149.77 7275.92 6513.54 3939.67 2782.89 13190.2 4722.88 4098.3 1858.91 10940.87 5060.24 2708.94 11082.89 16438.68 1685.59 1215.13 7635.52 11952.84 721.73 4032.59 1608.43 2525.25 5889.55 5694.44 5902.69 5897.05 6484.28 5679.54 5847.95 5835.02 4954 5,6,7,4'-Tetramethoxyflavanone 2065.34 1367.07 1872.37 753.08 1324.06 7436.91 8973.56 3542.33 6845.07 6447.1 6005.89 5570.44 11288.04 11731.03 2124.63 8319.03 11303.47 4004.35 14251.98 3149.83 4987.9 306.52 1726.72 10332.76 3625.63 2702.43 3481.43 2671.67 1557.64 4606.73 4466.32 4897.07 1814.89 12524.57 9059.5 3977.19 6815.36 296.24 9149.94 4309.21 7003.02 5690.88 6908.28 11199.01 4152.3 9344.95 5746.25 8888.49 6305.19 17363.21 6548.53 6554.29 9806.69 19226.41 2754.69 1881.86 4897.44 1486 3877.61 563.9 10890.17 1034.03 3134.23 769.96 2670.38 7522.6 12841.87 7155.89 15821.36 6544.19 3829.01 8662.81 11722.65 821.27 12355.93 9168.73 9818.2 7570.48 12088.31 9950.46 9067.58 10400.88 9923.21 9617.59 2,2',3-Trihydroxydiphenyl ether 1851.05 888.79 1231.77 1419.04 753.16 462.15 1550.52 490.46 1521.09 2637.28 716.24 648.08 1915.44 1618.74 758.47 1809.31 1505.56 1220.6 1303.3 897.52 1081.09 761.73 1150.15 1356.28 486.5 1144.7 1201.67 801.02 2358.7 1466.11 833.3 1262 2060.99 1933.18 1331.82 1917.92 498.23 1340.33 886.45 1284.79 1141.9 1271.45 2205.67 1478.44 1382.15 1868.45 3560.27 1260.43 2019.32 753.07 3693.28 1198.74 1759.85 2018 1250.25 1185.08 1519.76 1252.55 1515.39 1611.49 894.48 1775.79 806.94 820.75 1864.58 1297.49 1176.98 432.92 1622.14 1465.27 438.97 920.07 1179.17 3125.11 2061.61 1723.03 1025.3 1589.37 1545.24 1497.55 1591.55 1550.62 1508.21 1500.94 Spheroidene 5487.58 3184.59 1729.78 4468.75 6945.53 15522.86 6446.97 3906.2 5004.83 3504.09 1788.81 2570.46 9025.34 6427.03 3373.94 1900.55 1807.99 3709.47 3279.74 1772.85 4196.16 7955.53 4595.92 3506.83 4330.53 3339.14 2157.13 4085.68 6899.31 2531.07 2765.33 2450.18 3714.01 12415.94 4375.98 3338.7 4128.29 10454.33 8076.34 3542.04 3062.64 10660.04 2784.29 5867.35 6155.29 12840.6 4779.46 3425.79 5182.38 3132.13 11969.17 5993.35 5650.88 8854.57 4807.29 2702.91 1867.73 2226.22 1623.15 2378.53 1933.55 4613 4757.81 4091.29 1400.7 8321.24 4332.19 5171.11 4810.32 4139.39 2437.31 3852.42 3822.71 6181.12 9377.17 6144.43 6400.68 6403.51 6491.41 6493 6490.96 6423.86 6470.11 6401.26 2alpha,17-Dimethyl testosterone 18845.76 15914.23 10086.74 10854.07 36011.79 619.78 10660.73 31112.98 27742.13 15836.35 11929.1 18031.38 12144.67 11019.04 18965.14 19780.37 15577.33 15332.87 1111.67 36380.63 57392.13 8561.77 9498.89 10230.07 39024.55 35264.94 10351.01 9658.63 28963.23 12987.87 21135.85 28511.52 29480.38 18690.95 17764.78 58201.51 23165.87 11050.28 5080.68 6667.51 24175.77 37825.57 10462.6 11324.65 30074.14 6748.24 36135.21 28296.06 12607.37 15964.65 30690.9 14691.22 15689.89 25482.22 18309.96 11760.86 9986.5 7081.98 31744 7366.31 9509.26 6925.95 17808.57 19861.22 5840.07 29211.25 23361.88 11390.76 5573.64 36766.67 18057.08 16357.3 10381.5 9194.47 19228.85 20344.07 20551.72 20346.33 20551.09 20344.05 20466.99 20657.03 20351.8 19942.38 3alpha-Hydroxyoreadone 34355.56 38442.19 35289.49 34771.53 45652.71 50908.02 40192.96 41894.73 43936.94 35702.71 27513.42 29634.08 32807.37 28612.59 39984.49 35507.56 28108.87 34590.14 40769.53 43233.23 40586.89 29197.59 26603.13 35997.15 42540.03 42480.16 37387.55 34381.24 50879.67 20231.43 40782.04 39647.05 27071.69 35094.53 34698.69 41131.67 34484.58 45759.4 33974.16 31765.73 48681.09 52414.78 37602.54 29198.71 40061.43 36008.39 42194.88 38348.86 29865.22 40652.36 30428.42 36614.04 35163.22 42997.53 31434.83 35253.91 30867.68 24924.4 34393.4 35781.06 24909.75 23384.3 30663.78 35979.78 28200.25 42828.55 41248.95 28925.65 31594.37 35605.3 36023.11 38824.06 32429.82 37353.6 35361.66 37182.92 37183.27 37194.3 36703.46 36695.95 35914.48 35534.11 37177.02 37294.5 5b-Cholestane-3a,7a,12a,23R,25-pentol 4232.26 11652.07 11756.03 2449.06 3392.41 5301.34 5241.62 6242.45 3870.33 2890.67 5463.39 4762.31 5508.33 1478.59 9827.9 6102.77 6821.01 2462.63 1368.62 12292.87 1887.47 13722.25 5835.01 11563.61 4069.92 7024.44 6136.5 5302.82 1028.95 15118.12 1149.46 3157.83 1052.47 14011.17 6610.17 5105.14 2686.98 6169.46 3929.62 3439.72 2445.26 3286.57 5676.99 6216.32 8258.45 8368.46 10213.51 11300.82 10774.38 9902.44 2541.5 6893.6 8383.99 7009.78 4842.56 12896.43 5248.74 3451.19 8179.15 11069.45 4931.69 7732.77 13452.78 6840.75 5001.65 4199.86 11230.16 3510.9 9754.37 6589.9 3432.19 6152.37 7440.09 8800.35 10305.78 7400.1 7498.85 7118.52 7083.03 6546.88 7406.47 5079.91 7107.67 7465.61 3-Hydroxyechinenone 21242.6 24750.51 22821.73 27814.4 47955.57 40337.74 35042.18 24899.88 17339.97 22174.42 23169.35 24452.94 28201.55 28430.46 23993.34 43860.07 25275.21 26190.99 45340.71 27203.77 18736.32 11763.06 21957.35 28900.41 26242.51 26335.72 26338.66 35748.43 40294.47 11121.52 38017.16 91420.43 9321.55 31688.66 27285.11 31254.78 21041.73 16736.09 24676.26 22445.36 28480.8 36534.96 26181.18 24799.91 40502.82 48520.4 32014.81 35332.99 34383.57 78348.8 21621.55 21085.93 22923.35 35252.74 8714.56 13774.55 13633 22730.82 16663.14 13318.07 12782.55 15024.31 14384.03 28405.91 23933.47 21348.2 4529.12 24027.67 25804.73 25256.52 23876.83 32228.94 44916.61 4134.71 19682.25 30581.61 30461.78 30650.86 30648.71 30402.58 31295.84 30316.54 30403.35 30409.19 Ethanolamine 1523.42 608.22 641.5 1135.48 1712.86 2364.94 2654.69 1273.66 1476.41 1170.22 616.34 2704.02 962.3 922.75 1253.1 2047.96 621.83 904.61 1124.88 1705.29 975.79 1314.46 1329.94 908.52 1456.35 1224.57 1191.33 769.91 1899.56 558.8 857.47 678.15 1270.26 1242.08 951.4 1550.65 1958.6 1060.64 901.19 1308.33 1743.81 1672.96 1230.31 758.97 2039.51 1838.74 1816.1 668.61 897.95 1547.38 2035.61 1384.59 476.77 701.07 1153.42 1052.83 1215.87 737.93 1205.51 2426.74 1108.93 808.44 518.17 686.74 1722.43 925.27 1476.25 1195.87 1264.3 2206.1 670.64 685.88 1143.65 1181.36 2291.9 977.86 1427.82 1339.49 1347.5 1428.32 1413.96 1482.42 1358.34 1426.97 (R)-3-Amino-3-phenylpropanoic acid 951.64 1300.39 1240.06 1553.93 1213.89 631.13 442.53 484.47 439.78 1271.35 516.08 2552.54 1251.39 2826.81 878.76 2468.15 1409.8 480.31 2900.49 1497.25 489.76 836.64 1066.39 4315.88 779.28 648.79 433.08 324.12 413.96 952.3 931.86 3220.79 442.16 2065.85 1723.27 1084.42 1230.05 964.08 765.69 3317.32 974.83 550.95 584.56 2066.2 1659.74 1222.85 675.41 1171.6 572.89 1997.89 519.41 618.19 1305.22 1254.5 424.59 1837.22 1407.14 1088.45 373.63 942.24 1437.1 1736.1 682.34 540.93 1128.11 1404.98 514.77 2124.93 2135 420.96 359.44 1962.06 1281.79 639.19 969.87 1673.62 1588.98 1709.4 1530.37 1674.94 2056.42 1578.78 1843.92 1562.56 5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one 3988.51 4367.83 4400.51 4033.73 2178.14 20981.57 8028.44 3338.95 4156.13 3993.72 3702.41 4671.52 7143.23 4771.1 4839.11 5415.48 4627.33 5282.76 5416.62 7310.86 5451.62 4723.22 3944.03 2264.48 3233.4 5317.66 3521.99 3584.48 5374.72 4527.46 4819.85 10352.75 5674.58 7489.22 3807.96 5014.33 4592.4 6033.37 3505.03 4986.36 4167.88 8089.21 4459.58 4147.99 5615.97 1851.92 4483.78 4946.17 592.31 16002.85 6307.47 5923.9 2833.9 4596.7 3702.93 5169.19 5190.44 2745.27 4861.46 5153.26 3644.63 3967.59 5252.89 3846.09 3061.58 3135.73 9248.32 3658.46 3617.66 3486.05 4444.76 3829.27 4005.79 5760.51 5596.43 6736.36 6687.82 6518.06 6635.25 6703.85 6783.67 5871.97 6466.43 6458.3 (S)-10,16-Dihydroxyhexadecanoic acid 2374.78 2938.96 2450.73 6069.45 27214.26 26953.17 41793.22 3068.78 2133.99 2584.88 886.61 1303.94 6072.2 2662.81 1727.84 2007.59 415.64 279.71 984.66 1313.28 3176.68 4611.75 4161.92 3054.16 2528.64 3141.74 2188.49 2515.74 6643.5 1020.51 1714.49 3008.37 1115.56 4581.19 2803.29 2873.27 2829.9 5682.87 4755.48 2383.28 6668.48 4751.08 2707.11 2581.14 2836.25 4700.15 2375.42 2388.84 971.32 968.82 3736.03 3300.12 3075.74 4531.06 5167.04 1487.42 1858.74 1169.91 2076.08 2862.79 1734.12 3765.09 2818.99 3218.09 1608.21 4934.8 2629.27 2785.17 2519.36 1836.25 1791.26 2396.26 3653.39 3576.63 3133.51 5690.45 5790.71 5687.41 5596.74 5683.97 5724.96 5787.14 5865.25 5787.99 3-Dehydroecdysone 2100.18 1137.77 282.25 422.64 5327.75 747.97 729.54 4756.25 4587.13 1584.01 279.3 1300.35 479.82 4207.32 12090.22 835.5 371.78 2198.03 1922.78 653.52 21451.86 1666.7 667.99 950.07 16964.48 1800.18 1057.05 1032.41 1659.96 1623.86 2457.06 1674.01 11322.24 5358.48 546.36 7408.38 10958.34 6309.93 570.06 458.23 7812.8 51199.98 234.69 263.77 12201.53 348.95 15732.83 11420.08 1166.26 440.36 25353.89 10052.72 677.49 396.2 7291.79 3383.31 513.25 3057.42 13192.25 3090.58 4065.11 436.95 11256.16 1696.02 3467.62 14690.74 5023.52 3305.51 404.53 15005.48 6000.38 865.86 598.54 4427.65 732.35 6405.99 6264.27 6406.59 6328.5 6267.38 6404.52 6265.7 5991.36 6276.3 N-(13-Methyltetradecyl)acetamide 3736.9 5191.83 5617.46 7953.61 8299.04 10998.6 6945.25 7878.71 6351.48 2863.09 3724.79 4239.4 10142.22 6907.35 10847.54 8328.27 17512.82 7739.75 8704.35 17475.78 5312.41 8500.25 3455.29 4110.46 4835.77 7361.25 3411.98 2102.3 7493.45 5222.39 7235.84 7865.61 5811.61 8456.26 6331.99 2728.96 4274.72 5806 2657.42 6561.7 11632.74 9048.43 6579.11 5405.26 4828.46 10488.39 6872.53 8921.26 4464.52 11648.05 5354.18 6178.84 7140.19 11850.21 6638.06 9156.7 9527.09 8307.43 3657.52 6900.08 6321.38 2628.64 9154.26 8848.8 5537.53 10369.93 10322.27 3534.21 4532.24 6130.45 5509.35 4432.42 4257.39 12542.34 8998.6 7888.77 7902.88 8032.03 8016.16 7902.25 8030.86 7960.11 8029.8 7955.27 2-Hydroxy-7-hydroxymethylchromene-2-carboxylate 267.37 127.12 43.71 57.15 85.18 98.2 283.55 294.98 194.85 162.13 62.3 187.74 148.21 195.2 62.31 212.88 61.12 160.8 102.78 134.38 124.78 89.03 86.53 126.39 82.42 110.87 55.95 116.58 90.05 80.54 171.39 800.11 63.72 150.88 41.42 140.9 54.6 68.32 85.2 67.83 862.12 467.58 151.6 63.27 178.93 66.78 102.63 107.43 137.84 1476.93 420.28 99.52 97.07 123.68 82.04 122.16 281.32 74.88 64.52 177.99 145.68 44.71 94.82 53.52 74.44 163.42 343.24 81.14 113.63 253.83 253.33 82.39 82.85 73.54 91.53 1391.77 1523.18 1524.66 1535.52 1602.87 1526.88 1708.66 1574.08 1569.64 Pikromycin 859.55 484.4 508.56 1427.61 1526.06 1432.15 1229.67 541.14 937.24 1085.03 2083.43 605.13 640.94 841.88 1430.22 2373.88 1430.11 975.82 3294.01 1902.95 962.36 503.7 568.74 12045.3 620.98 14323.72 671.33 1748.15 683.2 855.94 919.13 1125.91 1009.67 2120.03 1298.64 1339.51 1217.34 919.22 1648.67 1681.97 793.63 1094.53 1674.47 1436.74 1168.29 487.3 1754.29 2086.76 1559.65 4461.15 565.83 1015.11 1355.85 1894.71 760.6 858.81 1279.98 1609.62 685.53 1377.12 1663.05 982.87 1104.67 1835.9 1025.53 1431.41 1480.14 2169.82 1747.13 1255.08 929.36 1966.67 2104.51 2043.18 2345.51 1577.34 1616.57 1540.26 1614.64 1614.6 1619.58 1578.33 1574.56 1613.43 Pyrohyperforin 1129.1 4390.45 5396.2 6988.14 8021.13 1562.35 9205.01 6603.94 2296.08 2229.15 3126.18 4148.65 3539.74 3620.87 4817.5 8138.01 5110.39 5240.2 3225.98 4643.69 6321.28 3449.31 4000.03 5366.9 5682.7 7479.47 5486.17 2654.47 5385.25 7031.24 6704.78 5981.83 3127.35 8150.36 3401.37 6173.94 8853.85 6110.14 5393.91 7900.57 4679.17 3970.27 5780.7 5729.83 2915.36 1947.91 4155.39 5870.53 3400.92 5878.3 1949.91 3570.37 4023.9 6765.78 2428.62 7493.16 6166.64 3563.41 8730.61 2620.53 6263.81 5526.52 8460.83 10318.34 1944.99 5035.69 2942.64 4908.53 5047.94 7337.58 6447.14 7540.02 4163.75 4410.35 4665.97 2242.0 2870.33 3424.15 3082.78 2558.56 3187.48 2407.71 2202.27 2554.72 2228.66 1737.67 2936.13 2591.87 2519.5 2840.76 1913.79 2429.97 2656.26 2725.21 2877.33 2114.59 3193.99 2707.57 3123.35 3083.76 4453.81 5326.75 5396.19 5309.92 5481.1 5072.09 4559.34 4916.78 4925.6 N-(2,14-Eicosadienoyl)piperidine 2525.17 2525.52 5074.15 8556.25 4408.68 2921.55 7513.24 3084.56 3662.99 4712.51 7171.4 8057.65 12556.74 7469.92 2625.29 7025.12 5572.18 3796.15 7294.2 9077.25 4030.67 3225.62 7501.27 9080.47 1879.55 2285.54 4407.26 5344.74 14805.23 13291.59 9774.69 14789.05 3805.99 8986.34 9686.48 7405.63 1573.5 1199.92 4424 3605.99 9530.31 5475.93 6916.97 7959.94 6402.04 6044.52 9739.64 6621.58 6577.12 11538.98 3860.34 2840.24 7108.56 10698.19 3066.82 1945.77 6237.71 4714.41 2087.76 989.52 6943.7 5040.59 2597.49 9157.75 6594.33 4301.13 3834.81 6394.02 5625.98 3073.49 1406.51 5462.16 7627.47 7779.93 8826.39 6907.7 7413.63 7025.01 6976.36 6661.22 6906.61 7048.5 7012.14 6902.41 methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate 4662.99 2716.93 2924.75 823 11231.64 6976.34 2375.77 7835.13 4528.92 4137.41 5224.64 3656.13 799.82 3589.04 2968.18 4989.23 4103.18 3272.3 774.96 4877.97 14935.14 1369.13 2552.56 4141.48 4000.08 3999.04 890.79 5519.86 4737.33 4376.11 2701.1 13936.39 593.9 3438.54 7282.65 4907.34 6421.51 2333.18 4334.56 2595.7 5590.93 4583.69 6509.92 729.49 1313.92 8110.52 1245.84 1026.2 9191.77 7884.77 31704.45 677.26 4026.39 13024.85 6384.3 1304.38 2995.56 1726.25 6051.38 3797.17 3682.83 1613.35 10908.38 6634.79 3860.27 1804 698.14 5175.47 7826.72 3073.86 605.9 5002.05 17858.54 7156.64 394.89 5486.15 5476.94 5421.49 4993.22 5721 5112.9 5143.56 6653.99 4766.94 Voacamine 1720.85 813.33 758.14 277.92 3232.58 7477.41 717.87 1023.53 2826.07 2190.68 1033.8 1864.15 902.63 4092.53 1266.2 1969.92 610.22 817.74 898.24 1279.47 662.37 1615.01 451.8 1070.71 392.01 529.64 754.32 478.58 956.07 3106.84 1194.36 684.69 895.84 1026.96 1942.38 10420.38 2645.08 1550.7 555.52 1880.02 262.37 1063.08 1805.64 2345.24 1310.7 711.8 8010.99 4205.98 4286.98 9713.58 4340.32 1247.28 2579.03 695.35 758.71 1871.29 3016.45 1820.58 1270.34 4202.51 1707.71 471.85 1876.8 2273.74 1513.42 2527.72 1462.93 1625.3 2618.81 2043.74 2516.37 357.82 1397.54 2315.84 3308.2 4943.12 8701.93 5295.93 5368.93 4828.24 4216.98 4798.74 4857.96 5246.11 4492.47 3290.99 5087.5 4224.57 4830.28 4597.22 2818.88 5293.19 4944.57 3904.16 4665.84 3993.2 5694.25 5516.54 4824.1 3939.37 3312.23 3600.54 3332.51 3446.46 3328.19 3328.25 3317.58 3074.76 3445.84 1b,3a,12a-Trihydroxy-5b-cholanoic acid 6398.22 5457.26 26547.11 14991.2 13479.06 1229.66 2268.7 5555.73 15358.87 11876.62 3151.56 9830.04 3124.22 5651.59 8538.14 12826.94 8386.91 6560.57 15055.48 13634.2 21258.54 8924.63 16401.34 11618.97 21011.43 10632.76 4384.92 10027.87 18477.52 6888.02 7719.14 12335.39 17785.78 10064.64 5452.11 17728.87 12270.06 3987.62 10048.09 1713.27 3763.88 9283.4 12619.08 6476.31 5083.52 6722.11 19068.42 12989.41 19920.7 8149.56 1926.44 14302.26 13624.25 16911.45 14769.03 11560.72 11531.96 4660.55 3844.59 3008.49 18640.04 8637.99 20414.09 21264.76 13330.88 2466.09 7081.94 8641.9 3305.51 19670.93 3825.54 1218.61 8274.18 11930.65 12798.67 15699.44 15686.62 14951.24 15258.27 16537.15 14948.74 15787.51 15847.63 15081.98 4-Methoxycinnamoyloleanolic acid methyl ester 5538.4 5884.45 4338.93 5020.33 1285.62 4679 3802.42 2505.51 2290.9 381.6 2486.16 7353.14 14714.34 9009.8 3566.95 9860.1 4668.69 10190.2 9304.33 10632.41 5212.04 5951.44 4428.73 3393.18 590.53 5731.15 379.42 3684.86 9068.37 6511.88 12862.52 19138.66 4565.37 6808.54 3927.37 4306.78 1967.35 8714.23 2414.04 3587.15 14138.29 13235.15 3105.71 4282.57 12069.72 4275.25 5979.18 4375.54 8803.81 24408.88 10614.73 9659.35 4124.79 8857.02 4575.78 6915.41 2405.56 1620.83 1733.87 2483.93 1799.52 3119.71 3219.22 2214.54 1269.42 6295.81 11888.95 2540.56 2002.22 1399.29 3224.5 3583.34 2931.98 7065.03 5481.13 5424.64 6376.43 6216.46 6376.24 6205.84 6242.8 6238.56 6242.82 6205.57 Bn-NCC-2 1562.57 2910.52 580.45 1674.76 2570.16 374.32 396.49 8880.85 2832.91 3114.08 1432.04 4677.89 2497.53 2564.34 3238.74 6467.73 2342.39 2996.42 10571.56 993.05 758.38 1792.02 1540.25 440.64 3259.45 2872.76 1626.03 1022.42 11177.11 11804.68 2189.16 8087.88 1971.47 1854.31 926.65 768.43 800.89 1596.56 548.51 814.54 1903.54 2163.79 703.08 761.89 1443.8 1516.85 1271.54 1107.51 1060.9 3224.97 2273.33 1861.84 893.6 1295.63 880.48 1447.03 458.51 682.93 1617.73 955.99 642.75 720.79 396.35 1208.64 787.13 1200.61 1243.66 3012.91 696.04 756.11 1400.7 7107.58 1058.09 1954.35 1299.47 3964.87 3475.74 3880.37 3392.82 2939.95 3797.67 3154.15 3164.9 2775.98 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 3233.93 3074.7 1771.74 3321.65 6646.02 10881.96 1092.56 2262.78 7974.66 2892.41 770.82 2179.22 10903.85 1183.52 2530.12 1864.52 1377.85 1040.89 656.28 433.6 6074.15 387.34 300.42 905.48 2465.44 3394.14 2097.17 1262.04 1061.1 577.48 7473.39 4895.27 5030.82 4550.84 397.38 4410.87 4014.31 4570.38 4057.49 2407.61 5937.48 15072.4 5010.86 3855.31 5843.92 3054.34 4544.26 7749.51 4490.75 6984.46 6367.82 5270.13 3460.55 4133.64 3338.53 4786.19 3634.88 1845.13 2895.88 3553.13 3334.69 4911.96 5169.25 2762.44 3668.01 5344.21 6232.5 6985.82 3076.61 3657.74 8355.69 2854.49 3227.78 2712.97 5465.97 6888.86 6888.71 7356.21 7144.4 6915.66 6895.94 7124.47 7408.05 6915.19 N-Acetylarylamine 15392.44 7908.82 9724.06 4462.16 33448.24 26024.26 15010.81 22907.36 664.38 15730.04 11043.92 20769.45 11633.04 16044.52 18517.35 19026.96 3359.09 34952.8 30694.12 24216.85 22379.65 16803.13 14242.32 11349.98 19779.23 15775.94 9711.33 6787.78 25774.03 13212.29 14935.81 38595.92 19625.38 17795.5 9900.57 15722.2 15676.38 13052.06 5814.37 4915.49 12688.82 28535.87 7269.9 6228.58 26112.26 13170.79 16802.15 16033.45 30875.7 25599.23 24286.38 14217.37 11271.31 9026.88 16381.08 13707.74 3740.03 8032.08 22928.26 11573.85 8282.96 9046.19 15443.9 16902.97 10409.36 18957.31 16396.75 11622.08 10601.32 21025.53 11750.1 16200.01 16798.31 5605.7 7363.29 18940.79 18832.93 18955.57 18687.62 18681.13 18645.25 18781.71 19137.36 18940.67 2-Heptadecylfuran 20189.82 22357.65 15364.53 20368.16 32990.39 36379.88 36807.38 29992.13 33544.92 23025.61 23128.15 29572.36 29904.46 20164.41 26046 36236.03 16685.33 28535.46 37820.09 38680.99 28483.64 20372.37 18266.98 25517.91 27424.26 29655.37 29228.3 29615.38 35450.54 33047.38 27973.52 27773.48 13414.91 25013.83 23000.28 28368.03 25420.96 30160.72 34397.49 26082.48 33134.15 36543.92 24219.16 19710.47 43019.64 27903.93 37376.79 26136.57 14694.55 43763.58 17257.09 17011.68 26112.09 30776.92 20014.93 22224.92 17336.07 16633.51 14316.34 19784.52 17946.67 23243.47 21719.72 29044.61 19067.71 28145.76 28420.14 23482.8 25019.25 24876.32 21852.49 32983.05 21827.18 22436.59 30444.55 27130.65 26990.28 27871.9 28945.16 27725.68 27721.99 27515.22 27689.11 27252.95 L-Urobilin 445.09 333.71 394.12 1038.87 278.64 238.9 322.21 509.06 686.02 635.57 354.66 448.54 334.52 838.84 542.61 669.49 392.13 244.97 740.27 348.11 243.22 864.41 443.78 198.03 989.89 904.57 637.02 801.1 279.73 638.5 581.54 491.61 275.27 2250.65 1243.29 7637.62 6013.9 1626.1 3695.7 856.67 603.34 3474.34 3162.63 2555.09 6284.92 364.52 4172.72 911.96 827.1 3099.71 5745.05 3430.81 3164.12 518.74 5437.79 5232.46 332.36 2224.66 6826.63 777.4 2066.3 2037.81 3408.62 3440.93 3694.21 2101.45 1342.38 11351.93 2734.32 5563.05 1347.95 3790.38 1090.95 181.83 939.91 2893.33 3197.79 2978.46 3467.05 3241.06 2988.79 3163.34 3032.96 2875.36 4-Hydroxy-4-methyl-2-oxoglutaric acid 47105.42 52359.51 54991.25 49616.83 55350.97 53286.75 36274.21 8199.36 37702.39 38770.99 20678.4 18919.37 19583.33 35583.39 31569.96 33072.83 12101.74 35735.07 33663.86 24733.09 30962.68 16804.48 8212.08 41216.96 49007.49 45400.44 47671.61 42176.29 33646.93 39857.32 41650.18 44118.93 8742.44 46430.62 39503.36 36723.22 48244 41515.91 41977.88 41153.38 44149.68 7554.64 44227.68 15150.3 49634.68 35580.97 36038.42 29613.11 40283.05 44851.89 9192.99 41779.75 47486.14 41304.48 42924.51 39450.75 6506 33056.89 41367.79 36906.49 40140.27 12384.86 13356.51 38505.34 11868.02 26186.18 36102.04 38331.85 43820.47 33748.52 41949.38 45530.69 46816.27 39781.01 40454.58 35262.21 35476.71 32108.42 35470.45 35241.5 34072.41 35440.64 34902.91 35442.9 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol 2262.09 6708.93 7644.78 11390.31 10802.01 7101.9 1810.22 1861.86 5106.96 3070.77 4558 2810.91 3966.45 7119.68 7944.24 5428.25 9346.93 6888.01 2246.11 1777.27 6965.32 3738.68 1912.69 3787.87 852.27 1597.51 2153.22 2092.58 1022.57 3491.07 1580.62 3180.69 4090.64 16563.57 7421.61 1103.05 3744.45 4018.48 8276.95 11278.24 9191.71 7147.36 13085.38 7957.37 3949.89 9338.61 2919.35 2290.82 2899.55 4990.65 16130.31 4368.69 6092.89 12991.92 1829.24 8277.36 4266.09 12845.74 3854 9387.72 7044.21 9604.07 4815.07 17476.09 2730.27 6570.43 22141.9 2318.76 3143.4 3241.38 8854.34 3197.48 15641.44 34916.39 9203.27 5949.97 5890.94 6041.67 6071.67 5704.4 5299.69 6017.53 5591.56 5975.51 5-hydroxybisphenol A 1604.37 1870.19 1865.67 1503.93 2036.97 2807.64 1355.89 2087.91 1791.72 1550.96 1772.27 1870.95 2029.26 2345.67 1783.63 1267.96 2038.42 2770.89 2246.91 2028.07 2475.59 1066.36 1039.75 1219.37 1757.2 1766.11 1179.74 1464.78 1559.7 1240.58 2204.66 2261.69 896.57 1589.53 1050.59 1289.01 1164.73 1827.3 1713.74 1144.38 2223.42 2522.03 1841.69 1220.8 2239.12 1083.1 1442.74 1856.64 1415.81 2565.17 2427.99 2404.19 2079.21 2090.02 2294.66 2222.72 1204.64 1064.06 1497.09 829.69 1346.02 1257.65 1252.67 1178.12 1334.83 1749.33 2545.09 1547.32 1297.3 1321.98 1454.64 969.13 1216.94 1851.92 1651.24 1653.75 1664.94 1677.33 1728.1 1689.68 1597.19 1698.59 1688.55 1594.7 Ponasteroside A 2347.5 5670.3 1167.48 1665.31 45455.11 15812.78 2749.54 17224.48 5888.79 1016.83 5286.59 10776.36 6260.95 6377.9 21721.23 17166.66 1942.06 18664.74 29211.97 13617.06 15842.12 6387.49 5189.96 4887.02 18945.61 11358.18 742.18 4723.92 18351.59 5578.89 7125.68 38815.97 12091.67 1730.17 4765.67 17466.37 15566.19 2139.36 3044.3 7401.04 9444.34 21303.81 9785.04 4508.32 24471.44 4068.86 10779.5 7071.49 16467.14 22742.86 12511 13119.98 7353.13 5893.72 23935.96 20122.77 5552.55 3885.74 28748.53 7959.47 11744.38 1837.15 14655.45 11738.39 6469.01 22147.46 10758.82 5238.95 7564.11 16651.9 7942.81 12452.76 10393.52 6219.78 4593.05 13148.63 22547.77 7837.23 11201.78 11448.19 11413.8 9952.67 9286.44 9473.8 10227.33 4668.64 12487.35 11210.79 7603.48 14060.11 6749.9 5519.28 11545.83 8702.38 17501.79 11466.66 16549.12 11999.24 9675.23 12107.63 11425.23 11988.54 11531.5 11970.38 11942.38 12502.33 11941.6 11077.69 11522.48 Ampeloside Bs1 12040.11 922.75 11704.3 10072.38 1584.64 1081.31 999.78 9494.14 17900.41 13719.65 5867.5 1043.25 802.3 12318.72 768.92 581.79 6728.49 779.06 2661.08 611.08 6754.56 406.22 716.39 5250.79 422.54 1371.58 11408.58 11303.2 5407.44 4702.97 12079.72 6811.15 10690.31 16252.27 10751.48 5585.27 15264.96 14386.49 9853.32 8513.55 30151.58 18564.57 8151.41 6460.93 19319.81 10019.48 6062.5 4895.33 5004.16 6547.6 10852.71 13072.16 8510.84 8272.44 10883.05 10588.39 6259.97 4429.18 10781.23 11315.74 6337.2 8131.62 11613.62 9457.96 5009.42 15622.5 19542.65 10115.29 6896.13 12977.53 13235.18 12910.23 10072.93 11270.51 10742.15 12556.53 13283.54 12583.56 12713.74 12648.16 12711.46 12632.27 12550.77 12404.43 13,16,19-Docosatrienoic acid 1314.88 846.3 764.58 676.43 1553.71 5023.23 846.38 735.77 1616.52 656.88 482.16 528.97 783.25 683.65 634.09 1058.46 763.83 1460.69 896.93 3112.21 1079.02 525.83 541.54 472.23 489.74 960.24 726.64 468.96 2702.12 718.48 2234.17 808.14 650.51 524.37 1454.7 705.15 1009.08 970.38 947.78 690.37 3258.98 1497.78 1193.59 1001.64 1106.19 1051.92 1293.04 730.35 716.64 1469.28 1262.79 821.7 862.66 1427.73 3253.37 1315.69 904.4 1579.43 797.08 1348.32 1153.55 902.21 1320.33 1309.2 1177.55 874.67 2082.13 641.98 836.05 772.73 738.9 904.82 822.98 427.13 1228.98 1044.12 1311.54 1126.38 1343.77 1313.27 1225.75 1311.24 1359.07 1195.51 Pinidine 6015.16 6123.93 5688.7 5538.72 6660.06 6413.54 5790.9 6441.83 6450.29 6065.57 5405.29 4631.56 4526.55 5589.44 5886.33 5872.03 5783.66 5216.66 5034.32 6088.57 5393.2 5152.3 4613.06 5537.73 7134.52 6234.58 5905.06 5352.03 7291.28 6289.47 4797.45 5661.75 4937.32 5380.64 5985.16 6582.9 6177.89 7166.71 5912.44 6598.76 6520.48 5904.07 6098.36 6089.7 5878.66 4966.04 5863.78 5501.94 5607.34 5294.76 5598.42 5942.57 5614.44 5345.02 5991.32 6933.64 6522.21 6023.27 5875.69 5755.7 6033.01 5944.84 5949.59 5611.82 5013.33 5725.06 6454.4 6300.17 5944.72 5683.33 6035.51 6074.6 6119.82 5766.97 5552.56 6080.69 6112.09 6110.68 6111.53 6112.54 6031.41 5993.26 6065.4 6440.3 2-Deoxyecdysone 6568.43 13053.71 1618 2681.14 9820.19 3820.48 703.62 14406.57 9709.14 7495.98 1399.87 1696.24 1317.56 2640.33 12839.65 1431.8 1805.22 3692.68 2515.63 2270.55 11469.83 5643.64 1719.27 1203.07 9301.37 10185.95 2292.19 676.25 2346.38 296.19 2375.39 4253.27 2180.83 2432.04 1586.33 8119.85 9012.47 6422.88 1503.42 1478.49 2538.39 733.05 927.26 561.38 5173.14 1127.81 1005.73 542.1 1421.63 2799.89 6767.46 9509.29 488.67 654.86 10089.82 12420.78 1328.12 1711.78 8056.68 5266.34 337.17 821.71 11730.34 919.83 1197.91 13418.01 12635.31 973.53 5983.37 10711.85 8076.27 6677.9 1287.28 2580.47 1768.35 5194.86 4318.03 4614.17 2878.02 4675.61 4341.27 4636.32 4593.9 4603.59 Protopanaxatriol 493.06 953.15 1633.67 1585.04 1270.99 1468.29 3251.78 506.74 528.01 927.51 1345.04 2742.47 3157.67 1983.13 1325.9 3247.94 2131.14 976.39 4843.75 657.56 1260.09 1169.75 496.21 756.49 672.36 542.54 2558.75 1585.38 2364.56 2639.38 911.7 902.47 994.41 1414.13 1441.59 583.76 583.94 540.72 1196.23 1659.7 711.44 1412.4 2188.52 1262.21 494.85 2260.97 1502.22 874.57 676.63 3597.36 500.3 645.79 1943.93 1146.58 720.84 733.05 1276.9 1285.87 788.06 691.97 1487.57 1660.24 889.46 1970.92 1180.73 1222 909.87 2138.78 1997.58 484.11 943.7 1313.67 800.67 2804.79 3023.33 1254.39 1226.58 1164.77 1286.26 1342.51 1233.29 1344.35 1410.79 1162.24 gamma-Tocotrienol 11751.44 5218.52 6863.45 6760.01 1875.15 6215.87 9261.46 14213.91 12731.51 7210.56 16050.96 12077.83 12088.9 2827.84 6020.45 15612.97 8548.5 1778.95 10191.32 7074.74 14713.79 4270.53 12144.29 6530.71 11166.39 7363.47 8435.08 14887.35 2240.14 4906.71 4969.53 11629.51 4926.3 5836.2 4070.7 9057.28 5531.13 3695.98 11687.19 11159.86 1404.74 20826.83 15188.21 12563.2 7124.11 5466.15 15655.72 12600.56 13239.05 18086.71 28463.51 1531.06 18379.55 8053.2 17345.83 1503.53 9919.88 1360.96 5429.05 7413.11 13804.68 15983.89 11118.49 9637.26 9028.53 12860.07 9592.18 8181.01 9836.39 14556.26 3275.4 6529.5 13560.4 10709.51 12525.99 13022.6 13118.18 12815.1 12775.02 12274.5 12804.15 12967.54 13362.67 13015.76 beta-Citraurol 1520.86 2691.39 1568.63 883.05 7827.57 5581.97 2009.93 4980.01 6781.67 4286.97 904.22 3962.6 727.22 5883.57 1609.23 1196.16 2920.46 1774.96 1571.01 863.93 8684.01 5703.06 1755.22 388.75 1405.84 1793.73 1691.7 1251.56 595.04 3023.97 777.09 6476.45 2210.7 7044.82 2140.34 7443.68 4415.44 4616.64 803.84 967.95 6214.05 4223.49 2441.68 2703.06 12767.56 9872.21 12337.97 9277.54 2609.31 3073.96 5476.87 4707.68 1409.96 4526.3 9068.95 5511.74 2527.55 1634.97 4068.66 1254.69 1350 874.02 7271.96 3676.56 1139.63 4486.41 5845.91 1996.62 852.06 7589.41 5196.9 5094.31 2261.57 2659.67 4598.51 12649.22 15790.12 12795.82 10479.05 10420.19 11123.22 10899.83 9870.38 9756.41 9506.11 6317.27 9680.25 8755.81 9012.2 8437.27 12041.74 8647.57 7616.57 7830.28 8517.79 8469.84 7838.42 9115.25 9137.75 7423.62 4285.43 3769.28 5276.91 5204.48 5172.82 5230.55 4996.95 5305.14 5496.7 Fasciculol C 3523.45 4167.96 524.63 5810.48 1835.13 2240.1 1906.22 2355.38 2231.39 1223.51 3380.49 3915.14 3646.75 3901.17 871.02 5087.65 3981.11 2286.46 6058.75 514.84 2789.25 990.3 3582.69 6482.61 3476.33 2524.24 5927.1 7913.16 1967.06 4671.46 2776.04 5058.38 1789.58 2524.36 5972.46 770.45 2958.46 1352.27 4432.03 4145.96 3699.86 2286.43 5438.96 4159.57 1628.21 4944.46 2182.92 6696.23 7252.92 7619.18 3239.02 3435.13 3644.98 6993.12 2562.75 2453.92 3527.8 2876.15 2546.57 1564.67 4121.65 4631.57 2612.65 7096.53 5890.16 2266.94 2584.63 4580.42 4398.05 1628.5 1997.96 3475.51 5319.74 6716.39 5569.28 3845.1 3799.59 4057.3 3853.51 3854.15 3782.62 3782.21 3838.63 3786.91 Oligomycin D 3838.28 2603.93 1961.4 370.35 1629.06 2285.42 1729.89 1454.47 2030.27 2974.63 2844.71 3775.48 1356.94 2865.34 1167.28 1690.92 419.9 2601.43 2951.76 1758.74 355.81 1985.95 3337.48 1127.53 489.7 1847.83 2721.74 1865.04 942.5 1246.92 3091.32 904.03 1463.46 14091.24 12153.67 11382.84 10073.11 6461.11 11574.25 14002.92 5990.77 9764.33 12065.38 9044.68 9320.44 11057.58 10558.5 12716.33 9368.17 16560.76 5296.46 8749.04 15246.65 12219.12 9051.09 8881.08 6599.73 9599.33 9108.95 5621.99 8335.73 10988.93 6349.76 13526.77 15796.4 9204.27 9194.78 13751.26 15724.95 9733.15 8372.94 13449.11 14669.09 19201.56 15605.83 14088.89 12960.79 13073.51 15588.93 13562.59 13256.9 13364.78 13851.57 13542.57 Ajugalactone 4606.91 9842.64 5248.62 4469.15 6094.73 3194.97 30772.92 4074.93 4938.12 4638.71 2888.52 3608.79 3255.24 4107.98 4996.49 1975.96 1165.94 2616.1 2129.14 14454.16 5393.88 10178.27 4866.91 2495.39 4164.83 10252.96 716.85 1719.64 4425.45 998.16 4177.14 3289.78 5738.65 4583.22 3594.84 1097.78 5163.92 8738.11 4379.42 3689.77 17154.25 6944.02 4207.31 4091.66 16434.19 8307.56 2753.83 3410.01 4037.89 3250.91 5439.88 1162.21 1079.3 3944.86 3688.04 8136.94 12091.84 1306.31 5053.81 3949.5 886.33 9718.16 1103.4 6739.37 2149.94 4087.21 2019.42 2687.77 3816.45 8622.04 6997.91 8591.82 3479.07 5292.43 6973.86 5013.3 4983.71 4422.56 5671.1 5485.09 3696.05 4721.52 4612.44 4653.58 LPE(P-16:0) 9971.08 15673.22 10326.2 7936.7 10184.57 5770.39 7633.73 9181.15 3433.94 767.1 6927.5 3787.66 2496.85 1382.41 25579.36 2092.42 12671.78 8237.94 9153.43 13665.69 2786.48 4250.74 3592.06 8133.05 4494.32 6900.68 2915.74 3143.38 6443.03 3346 4883.55 6991.26 7959.06 3327.87 11217.71 2395.94 4825.63 6251.26 3226.47 4842.21 3057.54 5120.45 10862.65 17664.04 2811.25 898.81 3405.16 14388.99 1962.6 1746.75 2777.65 12244.72 8198.17 7434.82 6689.65 19426.69 28409.28 19576.25 10150.65 2213.23 7806.86 5833.03 11036.15 10623.45 10945.57 10327.51 14178.04 5386.9 3315.63 5413.94 8495.74 7643.56 3905.69 31316.68 10568.29 9114.64 9425.74 9122.48 9113.34 9099.56 10655.61 9283.79 9417.14 9425.97 Teleocidin B-1 15755.37 13011.48 14780.54 11537.57 15566.39 1189.73 9336.27 18491.99 45293.88 2549.54 7986.15 3391.06 12846.46 12518.99 14695.27 12321.57 10090.35 14428.88 13106.72 14343.54 22002.16 1595.42 11567.19 2224.9 36173.87 3243.64 18347.1 1650.95 38280.41 2069.44 11052.01 14558.68 13543.62 20092.15 12234.15 26664.24 13225.64 4395.05 14368.34 14502.47 3422.36 16166.29 6251.98 1605.64 14369.85 11865.27 21371.34 19368.74 18393.37 15799.05 5490.46 8759.87 2578.66 9708.7 3627.6 9976.25 2922.54 3425.17 10891.04 4578.9 10435.23 17542.08 20532.94 17361.84 9019.92 10348.71 9734.31 14966.69 13503.63 17905.26 18016.38 19711.62 10286.18 2285.74 10713.42 994104.92 1168084.02 951816.27 975504.2 955373.05 988475.58 951199.07 938183.75 864138.12 915467.83 803499.41 818993.3 834035.53 781939.23 807413.36 848331.34 814618.23 841679.56 783977.0 749233.18 752062.58 837090.85 759540.6 665462.59 666492.16 13254.06 13563 13219.73 12731.26 13112.9 13018.38 13271.27 13101.8 13008.12 Cycloeucalenol 8129.04 1821.07 28561.61 8051.48 1943.58 6313.27 1922.34 27106.84 2509 17677.64 22123.03 8225.78 3517.95 9414.38 9906.9 10714.48 20517.61 8896.99 9955.64 9812.07 1822.2 8271.49 8319.23 10585.12 14598.77 10009.69 8745.41 1297.96 10928.64 1536.34 6577.25 9104.6 11323.04 6724.48 12198.58 8824.08 11571.87 9937.1 13620.19 15868.13 3116.92 5460.72 15629.23 20541.67 9499.55 10570.71 13790.79 10195.59 850.24 4559.3 11878.59 17227.19 15884.24 13573.62 30530.01 13851.81 20118.66 24820.16 20755.36 19689.17 21107.83 20302.14 17807.46 11737.6 19925.87 16823.55 11311.6 18245.76 18645.68 14480.73 15880.23 12615.03 10887.18 725.3 6593.82 13761.2 14634.75 14615.06 14695.03 14919.75 14945.21 14864.47 15069.78 14867.82 3'-Hydroxy-5'-(4-propylpiperazinyl)benzoxazinorifamycin 453.5 462.88 668.56 808.46 535.34 721.89 1885.72 1105.26 702.17 1580.71 575.68 459.67 1501.69 1064.03 917.61 611.77 1599.59 793.08 2048.58 717.92 640.36 1202.34 750.4 307 771.7 1025.86 675.74 256.96 1434.07 324.08 628.6 1269.09 404.19 1977.69 476.9 838.86 537.14 7228.31 1789.34 371.37 420.19 2498 1006.94 2760.42 1125.03 352.64 1024.8 1778.19 458.17 1257.96 2440.38 1483.54 349.28 1379.28 1574.67 9304.18 481.94 1452.24 6835.48 1049.56 692.75 566.42 5222.09 1978.53 338.66 1674.25 8432.27 326.99 682.43 3771.21 4079.96 4006.13 1700.12 478.56 637.38 1821.9 2233.66 2403.76 2580.62 2218.71 2467.49 2600.07 2266.6 2335.38 3alpha-hydroxy-3,5-dihydromonacolin L acid 3305.73 1207.37 2542.11 93411.3 3687.78 2620.5 2768 5144.89 2185.21 3673.87 1109.08 1720.82 5919.4 5326.67 2556.19 3829.3 4381.57 742.41 3509.4 2138.19 3499.06 806.02 2632.49 3747.81 1686.63 1324.28 2033.65 1149.42 2975.17 1770.77 724.63 4300.01 972.19 1320.13 1979.87 2962.29 1517.1 1323.65 3110.26 1259.32 3421.75 4642.5 842.58 539.07 3522.65 1215.14 5168.29 1485.48 3466.73 2288.46 706.66 3383.31 491.65 4529.12 7024.46 3176.04 2194.09 764.09 2684.34 1279.4 3027.9 569.89 2885.42 2232.36 1049.3 3932.87 1655.37 1493.75 1675.84 5067.34 1288.36 2537.57 813.07 1108.78 4116.58 2966.56 3280.29 3245.06 3296.56 2719.2 2989.58 3034.52 3297.46 3156.13 Dromostanolone tetrahydropyranyl ether 71309.91 61986.85 26965.08 20957.21 1617.49 60386.72 10607.24 42520.07 25927.24 21565.96 40330.64 18304.35 19051.35 29637.81 48639.39 9871.99 12579.32 49843.65 22671.78 24458.77 13804.01 14536.56 10565.63 15366.47 18643.45 30657.79 21268.94 35006.29 4782.01 14599.03 10149.89 2239.28 1452.24 23193.08 26620.98 30460.23 54959.97 5071.58 13421.2 56456.62 23702.91 62014.36 28959.49 41445.14 16816.11 25048.42 37408.67 23896.92 4048.19 20535.7 35971.39 41209.57 49436.54 29960.57 15197.25 43006.81 39522.18 49741.33 25309.41 15926.31 29106.13 11944.76 65877.48 25219.3 19633.14 55653.8 44811.43 24792.35 24235.47 33940.92 24713.39 6905.07 44768.34 38834.42 23085.92 24665.28 19339.11 25977.82 25951.95 26029.05 25982.98 25491.42 25969.06 24946.83 5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol 366659.67 271393.75 329085.07 240456.1 198010.66 75113.38 200167.5 530898.66 353952 277415.4 216849.41 155216.61 189411.8 239832.14 275357.38 237665.5 250117.77 150584.12 392189.5 423846.67 508119.09 107651.68 297064.14 337696.24 547348.34 446723.37 356229.47 532923.53 314497.12 387039.76 386772.98 226085.25 233848 327329.14 308330.72 358809.59 277365.35 155903.87 542991.01 493005.2 174278.33 265225.55 292454.31 441985.8 510115.31 179693.58 308506.18 303513.47 304100.96 242261.74 258006.7 258301.11 274432.89 232034.57 303285.42 251479.92 218958.34 477955.86 251023.12 300800.57 552949.72 258302.87 358472.81 310651.33 524020.95 488546.68 435951.34 263220.48 422702.12 352982.22 327858.09 549953.09 229478.59 203540.51 266448.79 266245.8 265354.01 257606.94 266201.86 266301.76 266302.46 264193.67 265050.7 267876.69 Debenzoylzucchini factor B 99211.29 129880.21 77243.72 93071.51 133847.68 143371.97 67906.52 63278.24 71794.18 75558.7 39070.48 62405.85 85454.52 109116.4 71745.81 79034.21 75984.19 101611.96 104231.94 100928.12 79077.99 63554.16 55880.65 49522.71 66478.46 121490.82 62353.52 64999.43 114723.86 121873.98 116508.47 138829.34 73648.91 104201.48 66651.96 99088.9 81293.31 127790.26 64576.34 83677.52 136489.74 121700.48 73374.98 87817.68 116400.23 25079.48 92328.65 86195.3 92375.35 153241 106865.92 110771.94 69386.66 93046.67 73931.64 93871.5 72756.05 56475.23 70055.87 71724.91 71656.32 65190.67 77741.72 74315.47 53736.23 75316.55 118757.24 67512.41 65444.31 66583.58 79721.2 81536.97 63764.23 93900.72 76705.86 2563.29 3959.94 1524.24 2129.44 2718.28 3453.19 2850.16 3281.54 2411.07 1839.65 2391.83 1894.56 2254.17 1750.78 3602.3 3776.18 2476.74 4032.97 2788.38 2641.88 2069.26 2430.48 2063.95 3729.36 3384.4 89445.04 90471.4 92541.72 90811.71 90904.16 90892.66 90120.46 90276.11 90561.18 2,6-Cyclolycopene-1,5-diol 39506.49 226.56 10755.37 135289.1 14938.59 36328.34 14752.32 11704.03 17797.14 228.58 10066.05 8187.52 31642.72 5589.69 12491.16 65262.81 11958.09 21317.06 8662.98 380.66 15082.3 11103.93 7071.37 7056.01 10102.65 29041.14 4541.75 2788.6 4361.88 20365.42 16373.32 202771.22 9885.17 19331.79 39288.83 164.69 160.14 19140.49 5176.6 3143.22 70229.92 94680.47 7249.62 1858.02 1447.9 560002.86 1092.11 193.48 4709.98 33088.37 6985.2 326.6 6188.03 12903.47 287.06 8693.54 366.15 723.65 12614.53 24303.24 226.49 5084.12 12256.3 3675.3 8806.23 87379.69 15939.97 6643.2 6802.52 8499.35 146.7 13230.14 756.81 64083.29 34860.08 39286.16 38867.4 39064.13 38871.76 38869.57 39294.95 41020.99 39446.92 37948.87 4,4'-Diaponeurosporen-4-al 35614 46374.28 30211.85 36755.66 46019.93 65055.22 18010.46 28196.49 31620.31 30501.98 24635.07 34701.8 63364.9 44951.28 35579.09 41155.94 34160.21 45342.67 44464.13 45865.97 41581.88 30281.12 26205.32 22920.56 28156.92 46969 25299.64 32213.61 44893.09 40539.64 52105.41 75340.67 29052.03 46685.99 27015.32 38171.73 29746.88 47764.58 26963.8 23146.92 72704.9 72513.09 31868.96 26566.63 48636.35 36237.77 48611.66 46720.41 46319.79 108232.76 47949.92 55898.83 30348.85 49403.06 30005 45083.59 27290.69 23872.72 25242.74 24622.99 22608.89 18961.3 34688.73 28606.13 21896.52 44231.39 60446.5 29080.12 24493.7 23898.7 40305.64 25655.57 27812.26 50551.62 46605.08 44883.64 48602.9 50555.87 48284.01 49185.06 48628.95 49352.6 48729.7 48217.74 Pennigritrem 1337.89 2624.34 1423.5 3060.28 1007.67 1618.7 1462.23 851.72 3246.29 2775.26 417.33 1692.92 497.35 1775.47 4603.98 1550.66 727.65 2380.92 338.96 1680.67 626.65 2276.41 1527.94 909.84 830.27 1491.62 1023.65 2486.55 1684.08 428.65 1814.53 1760.71 1273.78 2576.17 732.52 446.31 285.17 1354.02 3116.63 322.4 4531.81 5304.67 6667.21 4165.26 4503.39 2775.17 23716.14 24562.55 1180.17 11284.93 4116.46 4030.91 2856.3 2662.05 1301.83 903.4 1292.4 10175.08 8901.35 3125.04 1822.59 3706.7 4660.33 13491.63 9316.2 6371.81 5935.8 6185.99 7013.47 420.8 709.2 2976.78 2825.59 1460.61 1246.01 3348.71 4319.6 2032.6 4658.22 3520.33 2236.13 3848.75 3997.13 3459.48 (S)-2-((S)-2-Amino-3-carboxypropanamido)-4-methylpentanoic acid 429.82 573.88 1276.64 1167.22 1705.39 559.89 1261.37 1061.63 876.26 281.73 845.79 2010.76 1180.34 1196.39 690.71 2458.07 1237.68 270.22 2969.25 796.32 827.82 671.34 705.45 1146.84 912.35 679.59 1016.75 884.98 1639.75 1119.47 553.36 2064.85 585.15 901.05 1043.26 1057.38 288.62 241.55 486.12 577.38 565.59 796.47 2043.24 611.03 342.72 1606.02 501.99 1824 358.04 1831.9 545.79 927.61 991.71 1032.68 622.97 265.08 890.98 1058.81 539.34 355.74 271.41 256.58 509.16 1097.43 1498.02 481.26 897.54 429.98 913.91 272.32 245.2 1019.64 1219.88 1462.61 1985.27 1647.16 2252.31 1970.73 1516.07 1997.36 2033.73 1994.81 1942.08 1676.97 Phosphonoacetaldehyde 57948.37 53947.1 91411.05 98946.7 60558.41 50512.15 120903.5 73078.01 47900.72 50345.85 34220.28 13280.28 21362.28 33501.57 29211.35 42277.54 37826.91 23190.43 30640.69 15449.22 41387.6 11437.7 15687.54 49479.36 12118.39 53107.22 51824.81 24610.24 11828.19 14156.89 10547.02 34260.89 26071.59 62985.59 66322.76 52126.95 66575.12 55001.63 46312.73 40827.15 60864.74 57679.38 56008.22 129977.9 61201.3 48570.77 44990.24 59545.04 57044.32 57835.17 59062.12 61571.56 55979.85 47822.2 55742.07 58832.34 54893.86 55708.83 48476.83 58834.6 62902.48 64329.3 107496.62 18433.24 98154.69 65282.73 65960.81 52900.99 51419.23 55472.92 56893.93 69051.64 60300.09 56972.44 62656.16 65671.86 66032.61 63558.21 60573.83 62601.28 61804.11 62868.82 73581.07 57617.49 Americanin B 27528.8 21548.67 8717.51 5865.22 18325.66 10015.18 8162.26 33495.89 20909.72 32585.86 11550.07 18823.45 11238.64 16536.76 21247.17 20818.12 13289.73 22738.94 24431.71 18999.55 11603.56 4455.58 10809.73 11535.64 31575.91 23188.88 25517.4 26799.14 34607.34 4250.33 19091.41 22066.03 19214.51 11524.74 12276.26 34318.47 25798.08 19315.42 17513.9 22870.81 13300.24 28556.29 12757.78 13245.65 26055.99 14257.51 23324.8 24085.96 25697.46 23789.49 18720.94 18332.07 12623.56 14167.73 20738.19 19074.07 4299.66 8426.96 20777.2 9789.87 9258.08 11475.15 16915.92 12464.2 19451.71 25268.02 16300.35 27881.74 30226.58 27877.12 32195.9 25871.18 21092.8 16062.38 16351.6 21263.65 21263.31 21939.43 21038.29 20973.31 20610.3 21276.29 20969.14 21180.99 ginsenoside F5 26471.44 27579.15 4955.58 2384.66 3812.8 5461.57 2354.94 12979.65 26446.54 11369.61 20660.19 31367.65 3352.2 1645.9 27048.83 4177.39 2374.33 31245.53 55756.33 2107.35 38918.36 4137.71 3128.25 1856.75 5459.85 19409.77 12835.3 18208.77 24740.36 2467.48 48423.39 37924.37 10395.61 32910.23 21410.52 21227.79 10960.36 8270.4 19796.55 15220.1 27675.89 43554.18 24510.04 20950.67 35328.51 34345.04 25068.61 20784.05 17790.51 129037.67 20469.23 26331.29 11661.95 38926.35 20418.04 14342.09 6791.37 11216.26 7677.84 1259.09 24954.05 15219.47 30361.11 13105.06 13073.11 33227.23 37121.98 25371.53 27548.83 11372.03 19222.99 20008.14 5761.83 17982.79 19045.59 18923.26 23974.11 21032.71 20185.5 15898.54 22847.03 20376.84 25705.82 21643.42 6''-O-Acetylvicenin 1 8792.89 1377.61 468.47 2752.01 987.21 1214.08 1036.92 6056.11 10656.97 5422.63 759.26 3770.98 453.7 880.05 8417.61 1096.11 2829.64 370.46 3269.91 13343.96 4395.63 563.1 3324 396.69 5632.7 10860.23 808.86 3238.2 4380.12 2989.59 6235.2 4251.36 5695.79 1355.44 1091.52 3928.97 5173.37 6193.84 783.79 893.27 4613.25 10609.16 461.94 977.07 2358.07 1450.31 5734.86 3046.46 2220.45 4765 5593.63 2647.1 986.61 995.04 3016.75 8981.44 2438.24 708.31 6255.99 1526.35 833.87 950.48 4908.61 2956.34 1486.31 6679.58 6870.83 2137.81 2071.99 5698.34 38466.84 4207.39 3933.39 1758.63 2297.17 5025.23 6844.29 5377.04 5180.76 5421.96 5293.57 4159.39 5118.61 4613.03 Acetyl tributyl citrate 146154.25 216613.24 239119.39 251288.04 230059.33 405822.44 99123.91 178955.41 111469.99 144046.55 164621.32 147135.65 197421.05 218453.15 161476.65 146885.55 209786.71 366947.23 153553.48 250172.87 235446.44 138170.02 109043.98 167533.17 161327.58 210234.12 124688.44 153476.17 166186.36 243135.83 457405.05 304874.95 112137.73 256493.56 138392.59 226020.46 191176.67 368378.2 276325.11 198130.84 338219.79 293698.22 290516.86 249478.82 267837.39 189799.85 212645.37 237968.57 247378.16 312510.97 197219.65 184746.99 170587.55 130807.29 135210.02 142640.92 145913.3 133208.87 124831.16 181066.88 161118.25 197554.12 166402.18 154766.76 253047.47 197387.66 415394.81 233888.68 200980.24 125220.07 245270 195699.93 247150.2 347078.01 241885.63 164499.19 172468.61 170433.61 169910.72 172433.15 173682.57 171573.32 172538.69 169980.96 Benzoyl peroxide 557.05 485.05 484.52 353.82 235.1 388.72 652.91 788.22 475.25 570.05 602.56 533.7 448.81 595.93 529.58 358.99 447.01 579.1 414.48 436.33 688.56 547.94 652.79 690.54 600.17 621.54 482.13 573.56 382.09 456.68 731.64 387.89 555.97 562.58 513.57 520.65 483.58 671.76 542.71 508.01 558.85 736.26 467.36 520.3 513.23 518.2 218.24 446.72 230.01 537.18 500.79 567.66 534.34 508.58 470 574.44 491.28 550.58 485.64 424.63 522.27 573.07 475.38 392.99 579.72 382.41 484.38 571.12 588.66 558.74 634.5 466.91 437.73 319.26 503.71 1417.59 1370.26 1318.31 1369.49 1389.48 1378.9 1413.21 1409.85 1522.33 28-Galloylglucosylpomolate 3-arabinoside 436.46 409.06 359.76 546.19 688.59 626.07 747.89 526.74 407.31 1600.13 372.85 472.47 285.99 67.66 81.6 349.93 480.56 486.52 396.33 448.08 137.93 422.48 308.29 328.59 382.01 576.24 430.54 361.87 97.71 167.41 132.83 104.65 56.98 907.69 125.97 955.99 767.07 982.95 105.82 353.05 2439.09 515.64 354.95 453.64 77.98 4469.75 199.44 182.11 390.47 799.22 6866.01 175.51 429.74 4325.32 64.67 1234.7 923.81 300.1 1537.11 712.86 385.06 164.87 117.24 170.81 60.1 2492.2 943.23 84.07 398.18 82.83 832.76 189.46 611.65 72.74 330.92 3715.44 3544.35 3739.72 3746 3793.69 3525.95 3532.46 3645.11 3332.81 D-Citronellol 983.14 535.6 5853.78 3922.22 2846.1 9156.03 3245.09 1738.24 2150.07 1966.82 387.62 2173.38 3997.74 3153.95 580.02 8000.77 5659.79 2020.52 536.1 880.15 3329.68 1065.2 1035.84 1435.76 576.81 1488.99 2660.57 1297.97 1061.49 951.53 966.89 2628.33 385.73 3718.79 4539.86 758.65 1989.62 2837.75 1652.56 1963.75 2419.14 1231.23 2140.69 3815.5 1307.86 7806.53 931.11 1352.46 951.01 6418.74 1784.11 2744.85 1530.27 6614.84 1091.26 1475.66 4759.42 2466.94 892.8 4948.76 3189.68 3351.29 1782.14 2922.29 848.12 2934.99 1041.23 1596.47 2030.05 911.52 720.35 852.79 1832.69 2251.78 3699.76 2917.41 2960.57 2980.45 2960.86 2961 2972.34 2985.3 3009.37 2980.7 Lucyobroside 10103.85 16843.55 3909.07 9949.77 6951.97 6490.46 2748.95 14153.02 12625.83 11700.43 15072.57 7020.64 3214.85 12481.26 16031.17 12314.96 14993.83 17231.14 527.29 16100.42 13085.71 9657.64 7891.74 11251.21 10761.9 19587 13288.47 8649.84 11184.41 25355.43 14929.65 8795.58 18829.59 6647.68 12082.5 7439.29 17989.92 24493.12 12486.3 22507.97 15733.6 5921.51 12064.26 12565.85 7569.73 4653.75 12775.85 13533.3 7672.91 7890.41 6139.07 12369.92 8789.46 7139.79 7147.74 14584.38 9037.13 16913.69 21843.31 29399.13 16817.44 9982.42 12078.87 16720.99 21059.58 7839.92 13720.59 8300.87 13553.47 17455.99 25681.36 18781.33 21872.24 15784.66 14325.26 4035.36 909.04 1540.73 1091.75 1831.62 5010.5 4756.01 4363.98 6378.47 3344.16 6036.1 6307.28 6707.98 6683.0 653.72 5661.52 4204.75 4899.11 3819.89 5366.16 5249.21 3132.3 6017.59 6222.3 12883.08 13164.63 13159.32 13083.36 12902.31 12532.29 13160.73 13181.22 12636.28 Pisumoside B 3128.4 6141.7 2838.15 4574.24 7372.21 23446.29 8551.46 2394.41 17504.68 13817.77 7480.12 6813.15 2859.84 3197.53 8350.38 1636.68 8131.44 6189.48 2676.88 12556.48 13385.98 2020.92 6504.64 7702.25 3352.91 1608.45 5670.16 8017.14 1030.57 7460.49 19162.72 29825.82 9025.87 13031.64 7905.61 9962.21 8469.05 8789.84 5288.93 7305.41 5129.08 13682.07 9066.75 3826.14 10966.12 6694.36 6962.57 9115.12 7766.53 13154.73 8068.97 7199.68 9609.41 6533.54 3616.27 2038.1 3325.07 1886.54 16244.67 6634.28 6874.67 5900.99 11466.75 13027.87 9457.36 13150.32 12015.84 10195.8 7302.93 9632.5 10454.04 11990.97 11719.69 5084.01 6099.08 10010.97 9157.4 9135.52 9644.45 9069.24 8287.13 9187.87 9017.72 9821.28 Lanceotoxin A 97244.41 144871.54 219632.61 1261.05 72480.98 171876.91 117645 135687.96 132035.99 193447.47 236253.15 172172.52 147870.43 177252.49 159942.06 264506.59 115304.44 135195.44 493747.37 206904.29 148683.53 156111.7 266788.55 377880.66 145976.91 171078.94 185683.89 298556.52 177392.18 221193.8 139006.1 482516.16 123649.4 288204.34 296340.73 112018.62 130896.45 149567.43 213278.66 151200.99 112174.71 141535.78 385592.16 205247.11 144362.06 112600.69 196262.31 408074.8 286685.11 388360.5 99764.7 135332.77 296735.05 172121.01 86969.9 154942.21 132300.73 197401.07 162030.68 10895.23 237136.42 189032.47 126922.12 388540.76 257057.57 102695.83 164062.89 224693.11 236930.99 152384.98 111690.56 233035.28 295455.01 270812.54 199045.22 210071.97 207796.98 207354.03 207346.95 212064.3 219232.23 206355.11 207551.88 207980.7 (S)-Homostachydrine 2562.78 1355.57 2730.27 835.31 1046.88 2729.87 10733.09 2492.78 1460.51 2548.56 1537.21 2293.07 942.22 2440.59 1897.87 1566.86 1261.07 1698.28 1618.71 5570.54 709.35 7952.88 3206.63 3519.55 1899.37 1755.99 2744.01 2228.31 2686.15 2527.11 1863.62 6831.64 4208.59 2537.17 3409.95 2400.11 1783.78 2219.11 2830.99 3526.32 1467.9 1208.65 2797.32 2649.86 1263.46 811.58 3202.77 2437.85 1917.17 1330.32 1796.93 1905.55 3066.53 2156.52 2502.1 2486.93 793.01 2448.47 1379.78 1294.87 1466.66 3858.11 2166.94 2734.75 1919.07 2273.03 757.96 3792.46 3879.14 1416.89 5219.85 3255.03 693.89 4715.66 1096.74 1763.88 1686.37 1719.47 1697.54 1842.43 1687.35 1766.91 1514.55 1671.19 (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid 761.41 3929.12 2167.88 530.55 5059.82 4539.63 5184.08 4064.2 10460.29 2168.76 2471.24 2739.12 6726.27 3869.69 6639.15 2890.77 1162.1 620.73 4629.57 10135.96 5704.97 4276.32 4576.45 3275.01 1889.82 7779.6 3192.4 1979.86 2687.56 4159.03 803.58 968.49 3223.69 681.92 3689.72 2100.46 1572.06 3909.47 2864.37 2926.52 4217.54 9321.44 3248.34 3078.64 5580.83 4438.48 8644.2 1864.87 2438.31 1057.08 5013.76 6308.79 2868.37 5388.93 3464.09 1883.84 2057.47 1555.33 3953.86 2237.11 2483.4 2678.93 2347.24 3216.02 7613.47 2072.92 5296.33 904.89 2214.22 6752.49 4373.16 7518.35 5251.3 4476.71 3358.28 3332.43 3068.73 3168.66 2725.41 2834.97 3214.32 3980.65 3122.38 2610.48 Momordol 7769.29 1622.97 2864.35 24841.48 3207.55 15918.09 17399.04 3885.6 1862.13 3108.79 8100.15 2664.56 15908.06 2920.1 3558.83 45093.54 4265.43 3259.04 5526.78 2702.62 2871.32 2177.21 3479 2175.92 3302.06 2558.31 3823 3598.16 4273.61 7980.47 3271.15 30736.73 2681.79 32893.32 14962.95 1181.67 1350.39 958.53 4454.57 2196.47 25449.38 15932.2 1812.29 613.44 2564.27 147802.73 1678 1980.39 2728.83 8779.48 1821.51 1281.27 2393.92 5800.97 596.37 1849.56 1600.12 1667.63 1889.15 1315.99 1829.3 2043.93 1107.02 4149.23 4745.73 26735.43 2601.14 1743.27 4535.4 1222.74 1599.67 1971.02 1054.72 21746.99 7979.62 9311.4 9807.87 9913.74 9916.36 9780.06 9784.72 9916.09 9909.02 9953.89 Hellebrin 1830.91 1675.63 1919.58 1982.59 2925.94 4005.21 4088.14 2417.63 1549.68 1886.97 2092.05 1795.11 3562.63 4279.86 1315.75 1891.07 1643.14 1020.2 1207.05 1145.65 2801.55 3874.28 2271.89 414.53 1278.05 3037.77 884.35 591.44 1192.83 704.67 1075.76 1085.65 1893.4 4453.98 2738.99 3831.86 4491.19 3054.88 759.33 1167.53 8473.93 14937.93 1606.75 1433.73 14118.35 4592.53 5366.37 3675.65 12341.3 23951.03 14280.8 3540.73 948.58 1987.73 7288.29 5927.73 1452.51 664.05 5686.27 6133.22 1789.43 1135.59 1360.1 2046.37 1571.23 8893.72 6539.73 3051.64 1522.67 4998.99 4731.42 5421.94 4363.51 3749.75 4692.22 8487.94 8390.11 8754.46 10079.62 8424.11 8759.23 8357.13 8527.62 8359.67 Simplexin 17889.4 17941.91 13935.22 14130.74 22326.03 20287.65 27558.96 32125.48 16092.31 15023.88 25058.95 13052.2 13681.09 10145.69 15487.16 13801.79 11806.95 16988.3 14459.86 18809.86 24614.75 7500.44 14815.91 13345.16 6820.08 16094.97 5718.53 13809.48 5942.78 17837.31 17167.89 23668.17 15846.98 15638.37 11557.43 16710.23 17751.73 24567.67 16415.13 15047.6 10900.73 5691.36 8855.31 17173.08 4502.14 12255.5 12448.21 17890.27 9777.23 13934.87 15777.34 6070.01 12477.22 16339.11 20457.51 16621.33 15898.86 17872.13 24629.19 15002.76 10667.74 14492.82 1837.65 16757.72 10816.88 14274.85 16365.3 17086.89 6358.1 10210.76 5187.15 12795.83 8704.6 10891.48 10109.47 11063.72 12073.98 11562.85 9075.9 10868.07 11818.79 10651.53 11815.78 11153.95 Elaeocarpidine 1326.19 1087.35 900.57 764.9 2096.65 2542.83 1702.8 1844.93 2307.29 1507.15 1077.93 1681.85 1618.48 1233.68 1956.08 1575.78 551.22 1785.59 2287.4 3149.52 2248.15 1414.4 1127.98 728.3 1959.97 1404.06 1075.37 1140.03 2249.93 1156.09 1999.78 2795.15 879.06 1543.62 1096.23 2021.66 1467.29 1814.91 1113.87 736.32 3174.4 3286.63 1156.42 968.72 1700.14 1534.18 2412.1 1285.01 946.36 2216.38 1364.04 1754.24 1095.27 1503.06 959.83 1607.32 913.04 706.66 1383.31 1191.25 811.58 589.63 1202.58 1080.91 882.5 1821.17 2118.85 1211.2 1197.01 1693.9 2322.37 1377.7 549.29 1139.35 1374.96 1783.49 1653.89 1609.26 1696.82 1676.18 1681.67 1651.18 1659.48 1695.11 Concanamycin a 8435.92 1038.84 382.37 500.64 450.46 23006.59 17725.17 11029.12 14963.55 13234.85 401.49 667.64 402.2 740.34 567.74 13281.54 10540.54 771.97 1723.15 862.36 11910.49 12483.73 9525.11 1101.59 1369.04 1207.63 10816.24 388.76 2108.86 10459.01 514.81 11538.23 10149.47 21737.62 13878.08 8826.64 17406.29 15999.87 11810.18 10361.63 25001 15495.28 10471.72 10032.96 13188.85 13750.45 9748.07 6192.08 6686.38 6348.92 13284.05 16280.71 9863.36 11972.86 12262.07 17451.7 9920.12 8152.41 15334.71 15671.02 10542.29 13370.06 15816.53 12119.09 8957.37 14590.75 22190.06 7153.74 9122.48 17861.43 15884.86 18022.84 11802.6 13286.08 13021.74 15691.46 16398.2 15748.41 15599.83 14986.54 15543.19 15953.26 15538.72 15392.48 Deterrol stearate 7715.46 1903.88 5435.91 23032.13 5031.81 6765.36 4662.75 2489.18 3676.82 5120.52 2203.77 2354.71 9645.72 4636.05 4608.33 9985.45 3807.2 6533.07 4387.81 2853.21 3428.52 4403.68 3829.62 2756.83 3613.14 3566.45 3192.57 3347.55 4010.53 5328.27 4809.95 39186.28 4912.52 4748.58 10072.18 4176.17 4431.86 3574.1 3772.02 2904.21 10495.98 19435 2475.13 2677.64 5409.2 158845.9 2326.28 2673.36 2212.43 9291.2 4671.14 2560.05 4058.98 6081.54 4146.91 2683.39 2515.77 3187.2 2373.63 2032.7 3433.84 2229.92 2035.79 2799.56 2507.01 15838.54 1967.59 3296.41 5299.02 2823.72 3102.18 3089.76 3307.57 11376.54 6470.39 9452.05 9453.97 9474.79 9255.9 9255.09 9528.51 9415.59 9261.86 9300.99 Pipereicosalidine 2120.54 2922.92 435 4021.27 2105.55 729.21 6732.91 2632.82 2540.71 4216.39 7824.19 7777.45 8710.85 5876.7 2168.02 8566.6 4500.71 1571.18 9550.28 8538.14 2194.14 422.42 5391.32 6649.92 1847.28 659.97 5578.17 5038.12 10738.84 7640.29 7645.36 15172.34 2267.33 9825.8 6724.19 9163.29 2406.37 2846.43 3927.22 2245.81 6435.64 5329.28 6182.89 5656.83 3270.97 4185.57 11866.7 6546.6 5132.43 12693.75 3228.59 3006.1 6363.56 8441.17 503.77 3110.42 3497.25 2987.97 2867.02 2101.86 4850.12 3583.96 1629.12 6057.14 4254.64 1275.42 2776.38 6276.31 6664.21 2416.34 2494.32 4923.89 6486.51 7482.95 8912.59 6438.62 6238.56 6215.88 6259.53 6214.32 6214.72 6265.43 6234.46 6072.4 (-)-Dioxibrassinin 2689.87 814.42 980.03 843.73 914.15 2322.23 633.29 2895.1 2978.14 3323.22 838.27 1299.92 462.08 805.94 2917.84 1852.92 1341.19 2334.97 1862.02 3248.43 3322.21 1628.17 833.02 1427.23 1901.86 4206.76 1279.8 4142.02 2817.32 2454.92 3344.06 2362.37 1614.62 1565.95 1367.92 3697.71 2690.43 931.17 691.74 1342.07 2535.42 4452.65 1704.74 805.39 3091.14 1030.25 3490.36 3243.71 3168.95 2990.87 2252.89 1674.23 740.63 1135.55 2285.07 2278.67 430.2 1019.31 2928.12 641.99 1035.65 1142.32 1960.69 594.8 1160.11 2654.7 2504.12 1725.01 1540.99 2395.5 3614.28 1807.01 1760.41 740.3 1354.03 2128.05 2271.85 2517.54 2049.25 2295.27 1917.83 2266.05 2140.6 2263.84 Gluten Exorphin C 30169.65 41997.61 19166.02 25026.87 39289.84 51957.09 35074.84 30829.51 35291.61 32345.46 14122.68 13938.48 15472.73 14369.87 610 18811.18 11474.77 12142.31 20163.93 38526.31 24918.05 12234.72 11170.14 14700.48 13039.9 22076.64 13290.62 25265.38 15308.62 9472.38 18663.1 26004.8 4885.73 35785.14 22067.12 10630.2 26347.08 26794.53 24477.64 17082.36 48847.14 34720.12 20817.23 18041.88 33564.68 21449.42 12488.51 7160.19 5565.2 5485.3 25708.12 27963.24 17483.57 19937.98 19880.12 25312.91 17052.84 13109.87 22677.28 26948.43 16391.72 20451.04 28079.09 20162.87 12346.53 28556.25 42851.36 17719.45 20051.48 24989.36 23873.52 31612.77 21122.35 24214.34 22496.02 25930.7 25751.91 25753.79 25738.61 26532.71 25612.28 25932.14 25933.79 25934.7 Portensterol 30834.95 26136.87 27593.82 57075.26 39509.86 44652.83 37903.84 39758.11 30606.59 23892.8 31752.43 26685.19 47136.52 34517.2 28826.12 42009.6 32006.69 37965.23 40026.02 37736.99 39861.71 30343.41 20894.53 23731.64 24712.55 26883.14 26827.06 26742.22 35293.37 30515.29 34040.22 67784.52 26915.58 29470.69 48115.37 36253.49 33192.95 32361.82 24378.52 34811.7 44678.52 48660.12 31999.29 29986.02 37631.23 169237.18 43298.53 29108.46 23273.98 44392.85 32593 33862.31 30509.96 41609.1 37835.28 30739.11 30984.63 31705.17 27698.16 26609.2 25851.44 39132.25 35716.1 30808.92 49244.22 43539.32 34709.65 31090.07 33020.9 31167.37 25274.98 29135.6 29617.91 42228.13 41149.89 40582.96 40305.22 40803.76 40824.13 40988.09 41380.38 40979.51 40740.46 40977.96 6-Hexyl-1,4-dioxan-2-one 3325.85 4189.12 2252.45 4922.67 2296.81 7062.44 5038.8 5052.22 4995.68 4408.51 4430.62 6848.24 13013.29 14806.94 3376.24 3395.07 3677.67 17597.62 8165.76 11891.78 9255.38 7013.86 8031.2 2663.24 2323.45 3380.27 2785.74 3086.26 8280.62 8184.22 8391.85 10116.81 5160.53 8282.89 3025.82 5119.97 3241.52 9897.45 3418.16 4101.48 16985.35 14695.16 5117.25 4126.39 6218.52 2158.49 7203.98 5490.52 5385.71 9378.32 12612.87 14575.17 6962.26 10695.27 7289.21 4687.97 1659.38 5364.9 4880.32 2907.13 2576.92 3641.9 4879.17 4545.24 7137.25 6677.83 13723.2 4965.9 2890.18 2887.86 5726.58 3174.47 3028.24 4013.35 3743.36 4336.97 5024.89 4826.63 5021.45 5271.26 5024.16 4879.93 4925.46 4802.25 Hexadecasphinganine 565317.33 588024.09 583034.3 644820.38 594513.57 527737.38 525037.2 544046.41 558982.73 589349.36 397009.62 359158.35 449509.48 633254.76 566513.75 616834.02 640396.74 503642.55 636403.64 607687.4 467757.23 456139.72 446513.6 554767.46 615141.09 622170.02 650993.39 580009.98 583258.29 576742.91 433274.16 518598.36 366201.51 523301.85 552106.71 603573.14 649415.39 599391.02 593662.88 675079.11 537400.03 582071.45 617294.32 560031.19 510757.09 558295.58 580938.07 543966.95 519611.05 497907.98 508109.72 520070.75 475091.94 578851.4 643843.45 533539.31 517323.62 501920.75 492590.11 545102.1 686909.5 617879.55 572296.25 542542.5 411621.82 618951.04 516406.44 563894.24 576248.54 530152.42 456360.3 559805.45 535213.47 495933.06 656369.62 616955.26 459031.8 599271.14 462766.23 504981.31 460056.31 527945.05 482614.29 477700.94 458744.61 482098.51 587731.21 547124.5 569264.41 548002.89 447163.71 541231.23 606348.57 525126.41 527132.3 483853.7 519992.9 475422.48 487914.0 475276.49 604429.78 604452.87 604437.19 603944.33 603944.63 602472.15 605043.32 601696.66 601816.14 2-dehydro-D-gluconic acid 2220.62 3876.58 2807.88 3144.93 2529.76 6760.96 3118.15 3054.43 3337.31 2648.22 2592.85 2614.99 4093.84 4256.12 3780.58 2845.32 3620.86 6627.44 2841.24 4285.98 4478.54 3085.79 1765.99 2599.17 1549.25 3686.39 2145.33 2335.47 3044.73 4354.92 8470.21 6761.41 2229.83 4494.05 2488.25 3869.24 3081.21 6876.69 4787.4 3778.76 6357.76 5701.19 4747.59 4162.55 5302.08 3991.48 4114.48 4459.06 4994.58 6473.73 3646.6 3738.84 3113.53 3215.75 1867.98 2729.19 2298.21 2149.23 2089.41 2944.31 2506.9 3147.54 2775.76 2207.23 4091.55 3673.58 8166.21 4224.62 3610.89 2208.18 4191.47 3665.6 4526.51 6839.58 3982.84 3020.26 3297.21 3285.31 3285.28 3332.62 3285.26 3342.39 3260.58 3335.53 3beta-Fluoroandrost-5-en-17beta-ol 2235.75 914.36 857.67 1161.34 4398.44 1673.06 2604.37 4160.39 4626.76 3579.56 4029.78 4856.71 2782.37 3400.81 2877.82 2814.84 2761.47 1084.38 5726.81 4330.58 3062.63 1168.88 2659.91 2777.58 3375.68 3595.84 720.67 3897.5 3461.35 2927.68 3832.23 8288.32 3663.1 3113.04 3139.4 3404.36 2196.91 897.94 966.02 1703.5 4726.21 6027.4 2996.86 2095.37 2690.74 1493.01 2579.86 3193.19 3583.47 4749.51 6091.63 1149.6 2548.03 2468.55 2139.51 2529.48 1640.76 754.87 2791.59 510.98 1386.99 2076.36 2161.08 3059.05 2375.18 3200.23 3374.54 2783.51 2298.84 2922.66 2476.24 3604.14 3163.92 653.27 2954.56 2910.03 3072.36 2991.89 3287.64 3076.75 2981.76 2987.35 3073.33 3037.41 Hoduloside VII 2230.88 338.57 1435.07 1730.86 550.18 2571 5286.07 3260.13 3595.99 529.21 1443.66 643.56 1559.68 9764.8 360.72 493.8 1426.12 2202.67 1440.67 1487.46 3349.91 324.56 1093.36 1436.82 10664.98 560.58 3471.67 8959.83 897.58 2558 349.55 2148.49 434.21 4822.68 3568 2457.63 4713.84 4924.48 2847.79 1858.69 10614.15 8163.39 2570.15 2040.33 3918.49 3934.91 2777.8 1398.61 1290.3 2593 5773.96 5161.13 2569.65 4016.7 3541.57 4368.69 2002.39 1663.88 4223.54 3975.31 2483.58 3019.8 4333.62 3027.99 1994.72 5704.3 7080.64 2172.7 2491.51 5300.04 4759.43 5656.1 3403.05 3072.64 3537.58 4741.03 4821.34 4714.98 4753.53 4821.16 4737.32 4737.71 4738.72 4811.62 N-Demethylconoduramine B640243K425 67.11 139.21 53.66 2241.85 97.94 5894.29 15097.8 166.79 97.02 123.21 96.47 283.56 1713.49 162.21 207.38 648.94 188.02 327.96 133.19 158.68 95.7 486.1 53.95 125.46 225.51 264.79 243.71 181.99 359.91 73.52 75.21 405.57 58.59 975.65 173.12 149.57 108.17 899.38 293.74 96.23 3931.29 730.84 258.97 102.86 125.29 4127.36 383.62 86.49 329.44 181.24 656.84 255.39 325.24 234.93 840.99 284.61 439.72 182.69 113.45 1033.98 95.74 771.87 257.27 67.1 67.97 495.68 98.18 420.88 141.19 163.04 193.62 94.1 325.07 60.59 490.02 2399.31 2336.78 2381.05 2355.77 2382.4 2360.27 2379.76 2130.34 2303.1 Enterobactin 9362.55 4834.24 763.7 727.63 1723.15 1102.42 723.88 14006.24 9237.14 4141.91 2018.17 4218.1 564.92 3413.65 1502.48 1542.61 4319.7 9472.46 4389.12 7261.87 8679.12 2563.46 2096.08 406.86 10384.2 6586.23 5366.55 4873.22 11819.03 6115.52 13747.04 3995.97 745.87 1084.9 1112.81 10928.21 10403.06 1820.44 2685.02 4161.7 10335.19 10176.93 2426.14 2087.5 8496.65 1860.43 10946.7 7669.85 3973.2 6933.03 6606.08 1785.03 1041.72 3612.69 7325.74 2202.59 1152.06 609.73 9107.46 505.17 1568.65 1092.79 2971.81 368.77 1753.93 8144.23 6210.43 4400.46 6616.22 11025.99 6824.74 5675.32 6581.94 1616.72 2848.25 1096.11 5351.88 2522.99 3400.49 788.32 2643.14 2735.6 834.76 615.58 5380.67 3708.32 1827.36 872.08 523.92 3823.64 4726.55 9023.04 730.06 2626.57 11402.8 2526.51 4694.32 6387.19 6305.48 6298.22 6572.91 6418.27 5995.61 6095.06 6317.57 6405.55 Discodermolide 7501.37 11056.47 9046.47 10679.27 13701.32 42264.82 19212.08 7629.56 8420.12 8960.18 5619.71 8239.74 12232.39 10536.17 10046.69 12177.18 8720.69 11239.26 14212.31 14157.18 10842.93 9250.07 7188.6 5560.87 6815.68 12280.92 8803.26 7285.63 9831.05 11190.21 14240.41 18243.3 11705.49 13184.15 10070.36 9942.89 9889.59 12259.31 10723.2 9031.22 14438.26 17695.02 10723.26 9314.55 12209.92 12022.7 10798.26 10202.07 9463.55 20991.05 15718.02 13120.75 7923.27 10067.81 8515.84 11147.45 10286.93 7569.58 8860.12 12552.17 9376.03 8120.69 8288.92 8990.02 6534.81 9776.34 13211.93 9751.08 7873.31 7389.71 9224.67 8382.33 6730.03 13059.26 11874.1 13930.46 14110.18 14681.68 14193.48 14205.79 14213.21 14106.93 13636.31 13812.92 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 5924.44 1772.13 2472.91 1219.74 3584.18 684.24 3028.12 5409.03 1605.52 1968.31 4331.16 2351.45 6215.78 4576.74 3336.47 2693.16 3795.59 5256.94 3135.21 1078.94 1552.75 2534.47 1593.76 2014.94 1046.87 2054.05 910.6 2031.06 1509.14 1373 1237.82 1221.11 1014.57 10844.42 14067.69 835.65 5907 2677.69 4443.28 3769.06 736.26 1158.44 5613.58 3706.77 2532.18 6867.19 1218.83 2452.33 3627.04 1130.61 2990.9 1029.36 5118.7 6536.32 5810.94 774.27 3477.77 1510.86 2700.34 1481.19 4782.21 3870.86 18273.86 4020.66 4244.68 4685.08 2321.77 3526.26 6610.75 4056.25 1671.83 3634.44 7240.48 703.86 888.27 2716.91 2581 2728.21 2668.24 2592.68 2714.55 2808.04 2710.07 1476.88 3beta-Cyclopentyl-5alpha-androstan-17beta-ol 785.13 6058.23 1499.75 1295.04 1064.15 3239.23 1627.23 1723.48 1925.11 2673.91 795.79 1917.66 755.63 909.85 1271.13 1248.74 5086.25 1608.51 578.42 1796.08 2844.87 2509 1714.19 441.32 505.3 1147.87 907.77 1114.09 1847.67 1279.68 848.04 397.03 1753.91 1867.7 3107.77 2967.54 2689.2 2469.44 2407.08 5238.53 4291.7 1025.49 2505.77 3383.21 1391.84 2559.4 1966.13 1978.84 1444.19 812.82 1578.75 2640.87 2380.03 1890.3 3208.91 3210.33 5295.02 3284.56 1956.98 3259.54 4745.41 4379.36 2026.22 3960.78 2358.43 2019.86 2412.76 2858.09 3493.34 2580.69 3929.83 2698.05 2113.74 1530.33 3212.72 3146.77 3151.41 3279.41 3294.65 3133.31 3276.36 3127.21 3605.27 3032.07 28-Homobrassinolide 7474.07 9234.5 454.74 6037.89 4418.77 2176.18 8978.86 1357.91 4186.31 8941.55 8606.25 23037.25 14938.82 17691.14 4507.84 6042.14 1044.12 5126.11 7164.68 1336.4 6315.37 1566.88 7944.26 6760.04 7143.37 1897.13 870.91 3713.13 7143.09 19620.09 431.6 7924.76 687.1 35889.79 6784.37 11280.41 10572.85 7637.86 14601.65 6090.19 12957.18 14118.88 19306.92 13579.25 8457.44 14163.59 4002.66 5724.76 4939.89 1165.07 7334.91 6687.31 15337.65 8935.07 7668.54 8794.8 972.03 1869.38 6027.32 7942.55 13033.77 30579 3263.28 4470.35 7614.19 14539.34 6710.34 26607.41 17969.49 4998.03 9015.43 18572.47 5983.76 1231.15 12133.63 10192.93 11690.84 11738.82 11734.69 11603.63 11668 10765.41 10802.84 12159.64 Usambarensine 2017.37 3024.51 2935.51 3087.33 2298.33 4888.34 7226.49 2453.31 1173.51 3007.01 4261.23 3395.24 8117.24 6546.94 1192.98 3049.55 1890.72 1615.86 4727.07 1004.98 1766.97 3627.7 3499.89 4008.33 2952.99 2188.67 2954.02 3566.84 2897.69 4237.01 1733.79 3144.91 2727.76 10552.28 2446.66 1002.05 2741.03 2910.96 4198.53 1039.81 4447.06 6331.18 1725.55 777.6 1442.6 5293.02 1469.16 3167.17 9707.98 2592.29 4236.01 2872.79 3042.35 3956.18 6173.87 2623.4 2595.49 2491.95 1519.18 2587.09 3576.28 3961.62 1973.14 905.1 2162.84 4382.52 3122.66 2467.08 1632.13 1907.7 2727.12 1521.76 3405.18 2983.86 4235.09 1708.51 1788.99 1704.55 1909.04 1827.9 1828.94 1504.45 1969.16 1589.46 Alangicine 6116.19 8959.95 4567.89 3881.99 1936.81 299712.96 126603.32 8577.16 9752.68 6427.37 5076.66 6717.66 7143.04 5861.73 6257.61 7037.16 4284.03 6357.57 7411.14 13830.57 10157.22 488.43 1236.49 4434.7 1366.98 8641.08 5484.39 7587.61 13972.33 6086.65 7310.1 181859.2 5238.26 8219.82 6065.56 10489.4 7862.94 7422.21 6851.71 5890.14 24905.32 10921.72 5067.77 4386.05 6882.27 10729.93 10119.63 5686.54 6436.65 9936.53 8295.2 9380.9 3525.37 5733.55 5049.37 7516.93 5146.83 3769.11 6643.37 7068.87 3936.66 4551.33 4682.55 5748.36 4986.41 7536.89 9313.58 5288.51 4379.6 6257.15 8538.71 9708.73 4255.71 4865.35 7330.47 4336.57 7564.11 4968.12 4664.63 3930.64 4833.94 4817.22 4759.97 5217.24 4479.31 3957.65 4296.66 4180.04 4600.22 4502.11 2724.88 4408.69 4611.12 4698.69 4565.45 5831.05 4430.79 4675.8 6550.21 4213.7 26064.16 25764.31 26073.88 25754.68 25830.04 25752.16 26065.26 25852.96 25093.94 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid 7403.48 5142.03 4311.96 6583.96 8614.29 6682.67 7005.49 9218.34 6410.5 8848.44 5314.98 7897.41 13871.84 1940.32 3466.59 7951.56 5470.52 7967.74 6093.6 10791.58 5244.3 7507.28 5026.34 6381.89 6272.19 8592.73 10417.46 6144.68 6127.82 7348.5 5212.45 9076.75 5996.55 3682.73 6113.2 5481.58 7756.5 5602.66 6623.69 5369.41 8453.21 5181.26 2920.48 987.47 877.05 5565.53 7960.79 3762.03 1230.09 4778.72 3279.13 2605.03 6773.2 3015.41 2016.69 4350.72 4891.96 1811.07 3984.88 3599.44 2627.05 10532.85 5024.75 6849.86 5389.46 7790.53 9426.35 10879.72 9405.84 4840.42 3485.06 9080.26 7577.25 5907.2 9837.19 5951.27 5778.95 5397.62 5782.21 5495.3 5616.54 5395.39 5509.91 5785.89 Myxalamid A 440.47 878.83 503.29 689.16 1014.32 662.84 1076.24 1358.16 1141.66 3074.98 498.38 1432.29 1842.87 1016.9 418.59 916.07 462.54 958.52 1495.87 414.66 863.84 1245.22 1323.28 512.75 489.47 1003.04 2401.7 553.23 290.1 2008.4 447.8 1971.25 548.43 815.76 344 1148.74 822.75 838.44 632.94 521.36 1566.56 2871.86 612.59 499.28 2121.84 1159.85 1890.45 652.07 1898.82 532.85 941.87 347.01 394.59 818 1960.11 525.09 583.93 378.14 713.4 698.9 650.97 699.76 1112.3 658.44 657.54 460.49 935.25 733.11 1192.87 769.01 897.72 760.84 1554.65 773.89 838.02 1867.8 1383.48 1556.7 784.82 1467.39 1376.82 1523.76 1521.03 1319.09 Chikusetsusaponin Ia 1130.06 3078.22 11584.33 1167.21 187147.08 142267.42 59086.78 1709.6 1473.17 5781.87 1831.37 3277.52 521.26 6769.16 837.77 5376.31 6213.47 1113.98 11658.09 648.67 7701.05 1138.44 4341.21 1395 1535.89 1554.87 5954.41 3224.96 11116.04 909.73 1329.23 8306.4 8226.28 1612.78 4395.56 3582.59 1864.93 11071.03 3029.91 2321.49 3693.55 14331.2 10306.9 1570.12 5554.88 7213.83 6417.22 4073.26 7537.73 9947.95 810.4 2082.41 4272.83 9890.76 2219.55 6180.36 1683.71 2687.48 4033.53 889.9 624.77 848.7 3555.3 6189.09 2167.55 6022.75 6541.04 4272.37 2151.96 4295.1 1646.85 1860.77 5316.35 4452.75 3902.05 4079.8 3580.16 3497.61 3781.72 3713.76 3052.34 3754.22 3536.53 3573.19 4'-O-Methylnorbelladine 13904.96 6924.28 978.01 3149.04 13649.75 564.1 2806.78 17843.07 12668.15 5323.67 1745.26 8925.07 1402.43 6925.19 4423.1 7990.38 5475.25 17275.89 10111.74 10322.22 14454.05 509.11 1245.72 1652.44 20837.03 8801.64 6556.09 10479.54 18993.35 15099.52 23948.87 12163.17 4192.63 2895.29 1926.64 21375.95 11463.8 633.06 4563.25 6303.69 22345.8 19897.7 4117.74 3483.8 3064.15 4685.34 16372.81 6674.9 12278.65 10408.94 11517.82 6247.58 3210.76 2860.84 10878.2 8568.64 1282.47 1425.53 12375.75 958.75 2126.86 1813.36 4332.87 879.99 1786.35 11111.73 8092.96 9605.86 9932.17 14686.43 9838.65 6986.02 10493.93 2384.84 4611.18 10025.59 10034.58 9745.14 9717.18 10484.67 9453.19 8939.79 10030.23 10048.25 Sucrose 505.62 3024.32 7539.98 759.55 1708.3 3898.03 7512.64 5848.27 11026.64 9637.47 4545.26 3307.18 4330.86 3001.44 5895.19 1501.81 8594.03 3544.4 778.57 2985.77 8014.05 5275.55 1157.97 1430.67 3245.32 13366.68 4499.25 2363.67 2577.77 837.97 12331.52 1409.56 6581.36 8554.85 3856.95 6365.2 12599.38 10170.91 1193.77 1519.51 4071.22 2540.82 8276.39 6827.52 11565.42 1926.05 6461.94 6530.09 7519.94 7784.47 8477.07 2353.01 5732.31 4794.17 7409.26 6358.87 2231.04 2643.12 9131.93 8959.78 7006.25 1051.12 8249.22 11269.22 2691.82 6075.17 12323.37 3354.38 7195.5 12383.79 11854.87 10710.4 7354.62 7759.58 4461.13 6802.39 7813.25 6909.65 7239.82 7340.13 6996.19 7220.55 5890.86 7214.99 Galactose 2063.43 2552.25 893.73 3600.5 6006.99 1337.03 6737.59 4643.18 6748.89 3144.45 6816.08 3531.94 4325.55 966.23 2146.64 4180.88 7582.69 7473.69 395.5 2926.52 6597.84 746.48 3288.17 4496.26 5280.1 7970.44 6968.93 1425.44 1556.63 1536.85 3226.11 2382.13 1035.28 4607.22 9530.02 3857.26 6333.3 3757.67 578.99 13737.04 2491.77 582.99 5317.04 2177.01 894.65 9320.99 4351.98 1803.77 827.58 2417.18 8431.93 968.44 15196.84 13793.47 11996.61 1117.37 2471.64 17076.76 3770.57 9676.39 1377.38 870.69 1503.87 33896.24 14764.42 7249.84 4396.23 589.25 2122.36 4699.43 2569.76 1239.87 13225.59 27118.86 3046.68 2648798.42 3064952.22 2490157.36 2941736.49 2097873.77 2855770.18 3183108.83 2802861.03 2727172.76 2626347.95 2936073.36 2878156.53 2739812.53 2513392.28 2691518.97 2718731.64 2746311.74 2524002.83 2654075.03 2787284.54 2770053.22 2735760.36 2748850.87 2346628.35 2664661.81 5315.99 5316.91 3754.11 5135.29 5321.89 5118.9 5101.74 5104.85 5134.04 2-Heptadecanone 9787.6 37586.95 16964.97 19666.39 10379.73 42747.71 24678.71 12604.62 22201.4 21793.4 13923.53 15957.12 21162.63 15066.12 31000.99 21013.05 18884.44 15175.67 25007.54 38770.88 8039.13 30583.16 10531.53 22843.15 8036.24 19015.29 19049.11 11996.35 16421.27 15187.94 23868.98 27582.08 17795.14 17070.26 22458.51 15089.51 9569.07 22772.51 14627.28 20139.21 13271.15 15014.73 23063.33 16167.34 11938.52 12043.8 25004.58 31896.99 1504.96 23349.75 4125.33 15723.18 9453.83 14433.07 9382.11 27709.75 18635.95 21459.13 12126.88 40074.88 21309.56 26751.5 12310.93 27953.48 25481.99 12458.69 26862.73 22212.82 19019.29 14788.86 16530.17 32041.4 13173.1 25410.7 23755.79 19583.27 19331.38 19553.16 19546.09 20329.76 19554.1 19603.82 20093.25 20656.12 DL-alpha-Tocopherol acetate 860.97 334.39 453.62 1411.03 584.99 3519.35 3013.57 880.42 334.61 666.36 570.91 396.63 2874.75 1874.93 497.37 641.73 965.37 346.45 1293.95 1601.51 975.3 488.18 1261.37 262.67 969.88 564.49 409.81 1646.14 416.62 404.19 2371.95 5471.61 429.38 2456.53 2577.84 937.54 451.69 1206.3 394.5 494.03 2351.68 2200.05 1301.35 747.95 1422.96 8502.2 1105.5 908.87 1046.36 8273.95 1314.85 1178.93 889.98 1390.25 467.44 620.56 672.31 543.82 588.94 373.32 687.41 1136.25 1023.38 400.57 247.88 752.92 1310.57 500.3 683.11 1318.61 295.35 680.57 528.73 772.1 4397.73 2457.08 2080.68 2460.51 2388.15 2524.74 2240.12 2808.93 2443.64 2243.22 (8'R)-Neochrome 43405.21 55431.81 45264.68 52741.11 69139.71 86757.44 36316.37 64475.43 38113.92 34858.83 52766.68 41183.2 46478.26 49544.47 46094.45 53436.19 42586.77 53549.26 54788.64 66768.27 77898.02 36512.59 34594.18 31505.72 39045.87 51858 38846.88 40628.13 53210.05 45068.21 62540.7 73637.58 36670.71 57131.01 45805.13 48487.05 44927.21 53115.62 43654.28 36555.73 21601.15 69295.86 48409.94 38660.33 57438.86 83002.91 49616.66 52344.66 62361.85 25557.3 5103.98 17588.53 14788.64 21564 33738.52 21728.66 18609.61 17489.22 18927.02 10069.15 18612.54 1950.98 28308.45 25007.64 27186.69 36717.48 45031.18 30725.83 33632.61 28661.28 36436.28 32842.3 47225.53 90855.6 9655.88 10654.83 19477.71 10487.51 10081.94 11061.37 9926.47 10139.85 8291.37 9041.55 9815.47 7931.62 7460.71 7442.66 7951.7 9151.61 8249.6 8875.26 8508.19 7797.86 7414.2 8091.03 8754.31 6733.21 7943.85 9177.34 28084.74 28864.76 29578.88 29584.28 29480.91 29137.44 29560.76 28936.92 30541.87 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone 260.85 266.49 166.55 18282.6 14731.74 13180.33 28908 506.16 660.87 173.34 203.64 508.25 6625.78 158.6 394.71 1372.14 861.91 419.94 201.54 165.61 431.49 1280.47 133.46 282.67 290.49 268.12 613.82 413 422.72 362.71 202.31 359.59 152.95 806.99 774.99 251.42 536.05 1126.07 334.57 259.83 6003.21 1072.58 335.55 262.98 171.35 3283.84 575.46 373.96 524.27 411.38 501.74 115.94 270.4 451.46 769.57 645.93 611.91 461.44 330.09 565.15 579.82 2040.36 655 345.47 120.56 366.66 865.84 137.6 248.05 397.55 227.15 194.46 263.88 886.04 2268.14 2060.76 2028.64 2050.11 1961.88 1876 2024.95 1969.13 1966.9 1990.6 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one 2071.9 5458.41 4877.74 5247.33 2213.65 2460.61 4636.63 1821.86 1958.89 1212.82 1921.93 1079.11 3545.18 856.86 2694.33 3902.41 4353.72 1329.67 5130.61 1465.84 1807.14 2843.42 3587.71 1675.48 1523.16 5742.22 683.61 1807.06 1539.93 2568.01 5321.62 5140.96 1780.4 981.8 3686.47 658.6 2595.6 3198.52 780.49 2550.16 2717.6 2203.19 2759.65 3192.11 1472.31 735.25 1856.3 860.03 2119.28 2216.47 1208.27 1663.7 1840.79 1138.05 2397.19 10648.33 3810.53 4980.13 1949.78 7116.41 2633.19 3566.02 1452.09 10056.51 5717.49 1773.7 1476.49 2497.44 2381.52 1606.92 2374.23 8154.83 2626 8371.24 4813.53 2345.06 2214.47 2364.85 2406.6 2284.32 2399.51 2280.5 2403.37 2401.81 beta-Tocotrienol 112918.72 73487.16 38836.24 59897.98 125033.67 62096.37 88846.86 152006.12 90079.79 59146.05 124973.78 124705.98 108396.25 95896.85 93839.7 117874.68 67861.59 78021.23 154299.84 49497.6 138254.08 29432.49 98086.59 103821 130696.97 95576.95 112039.35 163862.47 87850.18 99887.63 71124 151814.72 34652.97 44525.77 76193.93 92657.02 99772.37 65556.65 92608.57 92108.45 76186.43 215959.15 135075.17 92482.63 128459.53 129883.75 94929.64 105153.8 138056.7 180351.82 262899.19 134230.43 128100.56 127969.79 195005.98 62025.62 43667.08 33952.61 81767.99 48941.75 97375.16 144548.21 89096.66 82477.18 67003.47 131078.25 112226.44 96760.96 164687.53 109211.82 51936.69 80805.84 108804.1 84284.38 113912.82 112352.3 112448.06 112391.86 115999.51 114728.66 125161.89 116621.24 112390.54 112238.17 Oxoamide 64778.6 67782.33 57186.42 64533.41 58218.67 57350.71 61557.1 62736.98 62364.64 63939.35 49307.78 43151.15 42677.05 61496.85 63444.05 58444.5 64529.75 51157.59 57957.38 58705.18 56085.14 51391.6 43876.22 62321.64 62194.79 63042.72 64074.13 61485.09 61492.26 68928.8 48307.11 61475.36 49856.41 60943.16 67375.97 65084.89 65124.5 67026.02 63571.86 66903.83 60521.15 59856.39 62632.86 66555.9 58281.51 54297.69 60848.9 60183.59 58077.8 54654.5 61005.13 57796.69 56009.75 56448.85 61525.56 61726.96 61279.95 66735.25 60680.39 59917.97 65502.69 62710.19 64776.53 63002.79 49453.76 56256.12 62112.99 59533.52 60476.85 59443.91 61631.6 60090.01 61467.16 62330.17 61616.03 60637.08 61804.47 60656.14 60896.49 60637.92 60638.51 60699.32 60898.29 60870.14 alpha-Linolenic acid 4487.34 317.31 4546.89 6024.03 6232.69 1858.32 3902.76 6034.59 2260.76 3837.03 3076.93 5095.58 6504.51 1433.45 631.52 18926.29 8640.68 15981.36 6660.63 314.99 4835.34 5658.31 3942.44 5809.24 739.04 535.61 3693.71 3002.5 5695.56 4208.42 10557.65 1735.17 3501.01 3931.76 8726.22 6407.75 4862.13 4358.01 703.66 5330.44 9110.76 11376.68 5613.54 8487.01 10091.62 5460.21 6641.81 6448.97 3003.9 13973.69 4831.46 11825.02 5819.15 9686.44 7949.2 10942.96 9848.12 8584.85 5438.78 7881.86 6270.89 5084.56 9981.68 7654.63 7345.1 18188.1 10180.26 12292.68 7998.64 7800.08 8757.02 5870.82 9078.7 8698.5 6684.95 10741.63 11066.35 10939.62 10696.99 10619.64 10701.08 11044.89 11431.97 10791.43 Lansioside C 1243.62 2728.29 2107.9 1564.08 3014.19 3970.96 614.85 1780.08 2208.97 3364.85 1100.76 1969.87 2171.06 2146.08 2128.28 1296.84 2261.99 1712.9 1824.07 1147.68 2267.09 2447.75 1440.83 1015.66 1279.55 2915.61 1820.01 1506.35 1687.56 1910.46 2135.99 4972.15 760.61 648.5 965.54 631.31 640.68 1054.54 986.85 732.9 657.4 667.97 752.94 426.92 212.3 630.48 642.98 287.55 596.58 596.21 308.96 777.52 549.45 267.98 770.95 540.29 995.68 452.17 366.39 1446.24 275.66 1454.76 521.67 579.72 1103.16 1083.67 330.16 2677.64 1509.45 1410.72 743.88 850.67 1127.32 232.29 534.99 1932.67 1597.92 2141.22 2029.72 2514.32 2032.4 2072.97 940.93 1627.75 3,4-Dimethyl-5-propyl-2-furantridecanoic acid 1190.27 1447.78 2138.32 4562.29 1537.99 1412.66 763.2 487.23 978.54 1751.84 733.87 2510.66 3747.65 2697.22 1387.57 841.46 1125.26 1941.2 1641.16 1944.19 640.7 3324.26 1895.27 1560.99 531.17 1333.46 616.09 1406.8 1959.23 4503.98 489.88 484.27 1088.72 3041.01 768.34 1603.46 680.77 2925.98 2499.56 3037.37 835.09 3739.73 1014.82 2128.76 2940.93 2346.1 1960.3 1711.37 1247.7 6490.4 3186.13 1207.95 2480.32 1698.78 1275.81 1460.75 2029.41 1747.16 1205.86 1108.44 1252.61 993.92 1272.6 715.65 1135.77 3414.71 2611.38 1045.07 1592.58 1170.78 960.1 1660.43 1482.84 2113.91 6627.32 1473.7 1515.53 1511.75 1567.98 1572.46 1612.92 1523.15 1283.48 1519.31 10-Deoxymethynolide 3359.31 4297.19 2970.94 2884.25 1842.6 1531.89 2978.33 12668.23 4693.17 3801.41 6102.29 3674.62 2279.72 4197.85 4130.35 3722.44 5907.71 4088.61 3791.53 2066.06 8862.92 2328.67 5271.27 4744.55 4676.33 3369.88 1298.67 3012.26 3621.15 2683.89 1391.86 3083.29 3758.03 1860.08 4063.76 3692.86 4387.92 3129.08 4497.41 2763.5 5017.37 1900.82 5021.62 3630.74 3543.2 2887.62 1443.02 4874.28 2348.64 2210.68 3905.31 5504.67 3326.37 2595.43 2780.43 4879.2 2898.24 3773.54 4650.01 4545.04 3400.1 2677.75 3878.62 3098.82 4046.51 5113.56 549.22 7325.98 5104.89 3810.26 3771.99 4389.77 2829.91 1944.43 3202.48 2938.67 2310.74 3076.35 2713.36 3178.14 2754.5 3115.49 2290.73 2481.63 1716.23 1285.69 961.41 1538.8 1420.46 1014.66 2418.18 1476.82 1606.44 1870.6 898.69 2137.94 1191.69 1742.66 1608.39 1610.96 3330.56 3666.03 3576.99 3614.04 3670.19 3393.53 3699.9 4339.85 2113.63 Acetoacetic acid 2983.23 2552.53 2623.33 4229.35 2125.08 4717.91 3744.11 1364.01 2212.28 805.81 1329.81 2304.24 1098.99 1602.8 2943.62 2323.88 2640.75 2004.6 1338.75 3386.76 1441.46 1170.96 1147.81 3409.16 2324.09 1884.78 1543.17 1968.73 2484.33 3377.87 1905.94 830.66 1299.73 2430.73 1848.14 1321.3 2708.82 5005.17 3491.08 2693.77 851.17 620.05 2806.33 6874.35 1259.72 4157.1 5096.24 5653.71 2340.57 1627.98 2137.35 2387.37 2211.29 2897 2165.65 3900.47 3895.85 2590.06 1830.72 8593.95 2870.93 4266.48 3059.9 4701.31 1823.85 4069.38 752.47 1396.02 2757.15 3021.33 2225.22 2092.47 2806.05 4350.83 1521.57 2821.66 2715.16 2738.81 2732.94 2726.22 2817.72 2828.97 2826.12 2824.4 Spirilloxanthin 592.15 919.17 1603.21 1189.39 686.48 3237.72 1140.88 1189.52 533.65 591.95 722.03 1246.55 1184.39 1106.01 602.05 867.66 1137.62 1289.42 1087.51 1218.35 718.08 518.66 1392.25 725.68 1716.87 1972.2 1166.4 1010.7 1106.76 570.56 1517.2 1574.65 964.43 785.34 641.4 767.77 1497.24 2897.81 2009.11 1440.26 689.3 4096.03 1163.87 583.01 1882.51 1074.11 1079.14 1022.93 1245.61 2927.18 1437.02 1527.05 849.66 472.99 879.66 1199.33 1184.64 1439.18 886.35 996.65 1436.87 510.67 1181.49 1206 952.64 1614.04 1602.26 920.62 1119.04 846.81 623.15 1474.43 596.45 1302.3 1732.61 1137.76 1280.25 1141.42 1243.08 1135.42 1137.41 1250 1385.42 1157.38 Tetrahydroxypteridine 7343.97 3869.2 6121.53 3790.78 1093.44 6187.11 2065.04 2810.74 5421.1 8425.22 2967.37 782.54 4764.49 3950.03 5571.21 1123.65 4109.25 5323.17 3230.22 4080.34 850.74 5257.82 5427.67 6763.8 4781.06 6534.31 5575.34 8862.32 7119.2 5135.24 5491.47 7353.15 2384.9 4521.2 6740.75 9305.85 6181.47 5910.67 7063.45 4261.69 5088.48 9703.66 5823.88 6275.4 7193.51 723.75 4846.14 7725.78 7699.8 3688.67 7573.39 1497.52 5732.31 3372.03 5421.34 6132.35 4036.64 5568.97 1174.78 2792.86 7287.59 1664.3 4554.92 6444.14 2202.72 5956.23 3147.65 7881.62 3828.74 4944.08 5782.6 6541.51 2757.07 6016.76 4667.8 3441.99 3989.11 3826.46 3906.84 4437.9 3934.09 3934.12 3606.91 3052.59 Indoxyl 1383.81 497.17 1374.07 473.63 1588.75 9146.53 1087.14 596.11 420.71 393.01 936.37 988.98 2524.37 1239.57 991.3 993.32 630.89 242.42 882.06 677 491.6 6181.67 1803.06 857.21 781.83 534.67 636.58 759.71 1435.73 775.08 798.93 244.66 483.65 903.25 200.41 199.98 242.8 7944.77 1351.91 629.94 245.85 304.49 1232.07 1105.37 504.03 225.66 910.28 518.42 194.11 308.48 205.62 604.8 1190.16 288.75 924.54 249.12 2772.08 2642.06 178.82 5553.19 324.81 206.71 302.57 258.16 275.37 202.76 360.67 228.25 236.15 560.01 276.61 293.86 220.75 357.31 1752.03 1801.14 1781.05 1735.62 1722.35 1718.52 1969.87 1521.39 1804.15 1765.1 l-Alanyl-l-leucine 13044.16 7596.47 12091.76 14291.36 14356.54 18748.55 21304.67 16198.22 7613.39 7455.65 6967.96 16562.55 22212.34 22270.4 8904.17 8935.86 3291.17 8289.51 7881.9 5385.44 8665.07 2925.29 13179.57 13486.81 8378.81 7069.39 8729.04 7705.41 24325.08 2454.16 4627.67 8677.11 4830.6 13382.96 10029.45 8932.11 7412.09 4690.53 6630.01 8012.54 5658.02 7617.49 13013.51 9825.32 12427.02 10210.52 6654.65 14879.45 15183.42 9419.66 5690.32 15374.51 9991.73 23963.62 13086.84 14604.75 11601 8192.31 5794.48 16292.05 8097.73 20974.34 7204.08 7834.63 5335.54 11435.56 4336.66 10396.2 7260.04 8320.68 5081.11 9030.28 5767.33 10899.11 22176.02 13250.27 11478.94 12954.33 12658.37 12916.52 12435.17 13036.12 12614.81 12385.79 Trihydroxycoprostanoic acid 39.73 39.73 39.73 39.73 39.73 39.73 409.08 1170.55 39.73 39.73 2131.05 39.73 39.73 39.73 3409.85 39.73 39.73 39.73 39.73 39.73 39.73 3203.62 3151.21 39.73 39.73 39.73 39.73 39.73 39.73 39.73 39.73 39.73 39.73 56.18 3292.11 300.39 4336.46 4548.94 3680.25 1276.89 39.73 39.76 2129.55 43.22 1215 72.63 39.76 3048.61 1217.2 6443.13 1925.67 2846.05 948.09 88.31 88.31 2339.81 409.04 1472.11 1445.64 88.31 636.49 1759.02 68.25 51.88 39.78 40.65 39.78 1003.58 2534.12 40.27 226.67 441.06 43.21 52.3 40.64 88.31 132.76 88.31 88.31 88.31 88.31 88.31 88.31 88.31 Lucenin-2 1259.34 134.35 159.52 424.6 504.32 178.21 505.3 832.85 185.36 86 878.12 210.84 216.31 216.52 233.98 94.69 153.9 279.21 249.72 264.16 194.68 208.13 219.34 180.04 196.49 216.07 169.67 191.46 253.96 212.41 3750.75 420.92 237.12 241.7 81.42 197.64 79.58 195.49 223.41 68.62 2148.86 163.84 176.15 54.12 136.06 233.37 151.82 67.61 129.75 2729.72 480.67 185.78 97.54 145.97 75.24 103.8 151.89 143.73 108.47 1783.8 266.41 90.05 73.58 218.03 102.63 119.23 269.17 204.61 193.06 1263.98 369.23 152.06 187.55 172.97 76.85 6903.88 23029.43 3404.91 3528.35 3472.1 3185.98 3454.5 2362.17 2362.39 2653.58 4484.52 2728.29 1277.53 1500.5 2666.93 40290.2 2733.77 2621.26 2107.32 2409.45 5022.72 2476.2 2194.92 2228.11 2488.21 2416.95 2675.38 2570.56 2576.69 2680.28 2581.6 2666.1 2662.89 2662.89 Retinol 424.04 607.1 2699.84 4148.67 5167.95 11094.5 1692.09 2309.67 3801.04 1847.57 1267.71 2065.96 537.31 2803.55 505.56 696.89 2042.1 4301.57 2479.83 3384.23 1246.75 778.15 2198.22 526.2 381.33 3404.43 1775.12 1313.53 543.51 407.13 632.97 1451.63 712.18 3104.03 3424.82 2979.23 3885.56 3999.75 2951.12 2631.91 4814.45 4920.12 3272.36 2803.43 4034.03 904.01 3300.38 2420.58 975.45 1441.98 568.51 2377.6 3134.12 4493.35 3305.34 4269 1990.68 1620.78 2507.73 2180.88 1814.01 2249.07 4105.36 2875.63 2383.31 5195.83 10365.13 3967.95 3691.68 2780.37 3022.19 1942.35 2980.29 3480.14 4329.46 3512.91 3518.02 3652.6 3624.95 3565.73 4031.13 3585.24 3488.33 3501.51 Panaxydol linoleate 5330.35 293.54 1815.81 15383.82 1981.66 32790.55 2439.19 1013.73 512.16 1418.74 1406.61 924.81 5784.97 1687.26 1557.03 7331.42 1679.86 1629.33 4394.16 247.11 1653.09 6403.52 2264.79 1125.32 2715.63 2492.94 1122.01 1025.74 1342.35 3079.67 2353.55 24056 1872.69 1847.64 5950.63 552.67 612.27 349.98 305.88 1129.2 2536.8 11203.16 1236 494.56 658.04 120503.06 577.11 996.21 1028.81 5204.84 732.66 436.94 1435.55 1813.06 1134.24 776 1036.63 742.46 427.57 635.61 459.59 473.62 1456.47 494.04 1222.95 10153.6 695.79 267.82 1340.64 1835.2 558.95 2356.54 382.26 9648.72 5921.36 6159.25 6438.86 6270.83 6159.36 6169.38 6287.96 6167.71 6161.39 6186.92 N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea 21872.38 38037.74 10632.98 36542.08 23031.84 25283.17 26726.03 37692.96 42132.41 27091.98 10309.25 14589.44 15358.26 28646.69 26177.16 28640.15 19266.29 23219.15 39124.21 27362.28 12417.3 13216.47 15751.97 34854.55 37733.41 14377.26 30712.86 15958.84 28216.82 16118.8 24906.89 26572.68 16964.71 36058.23 22887.7 56563.46 36319.95 23712.17 30785.01 20933.45 28643.12 40317.43 37137.36 20156.74 43538.73 30227.57 36155.59 30244.96 35745.28 33528.35 28306.95 30834.17 33444.48 9097.47 22725.15 38790.79 30563.21 12427.3 18397.17 23764.78 19335.49 37509.18 26432.79 26590.58 16771.43 36583.54 26068.91 47820.13 34971.08 31154.34 34152.86 24235.77 26501.91 13211.75 22269.52 30599.57 31040.5 29736.2 31150.73 31171.06 30734.03 28231.23 29811.81 34029.98 Janthitrem C 2434 2317.2 3648.82 1810.2 4087.16 2713.6 5728.33 2812.76 2589.55 1528.71 3378.64 3731.78 2971.99 1731.29 1803.57 5659.38 3277.04 3494.2 3089.3 3839.43 4917.02 2414.86 2149.3 2415.38 9227.21 3008.3 1660.01 1836.47 3212.86 3700.56 2891.98 5908.23 1969.22 4096.95 1011.94 4799.55 3066.69 5504.23 2870.52 3346.45 7389.37 1582.9 1694.33 6030.53 3425.94 4750.02 7791.55 7771.14 120420.07 8517.48 2128.05 8001.36 7335.21 4364.33 6512.76 3717.67 3570.9 3567.37 7679.04 3315.95 993.52 1464.19 2146.17 3433.81 2212.57 6358.26 6756.81 1299.13 4125.6 11893.96 4677.42 2638.76 82357.77 2279.2 1768.24 4803.91 8835.07 5025.43 4078.79 2960.2 5526.48 5202.05 5241.87 5022.97 4391.79 4594.11 4727.52 4723.65 3660.41 4969.62 2766.57 3975.74 5588.63 2858.89 4444.06 5102.81 4031.82 2882.79 5150.34 5310.44 3762.04 3152.08 4075.34 4575.87 3113.49 3935.39 1867.4 3724.71 3760.19 11-Hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid 3623.52 8181.07 6552.95 510.22 2562.14 5932.17 6848.03 2026.38 5371.36 1855.45 1412.54 5858.83 5503.66 1617.47 5954.81 2579.96 1465.06 2062.8 1103.94 2370.81 418.24 5634.78 15013.51 10349.87 1131.04 2230.56 16623.95 12327.45 1946.58 387.56 10043.59 7203.95 3959.88 13540.4 13868.65 2923.74 15352.54 10489.99 11520.77 13147.55 8477.15 11250.03 6645.46 5431.17 13390.98 3964.86 3123.88 1611.79 3640.64 9227.56 9546.85 11545.97 6793.99 5125.77 4322.71 5752.58 6678.36 9268.25 8644.67 11431.07 7678.77 11963.79 7284.57 7316.13 8456.68 7055.08 8379.43 7536.7 5624.86 9231.54 7271.28 10907 6906.88 8523.6 9596.65 9467.68 10282.89 9518.02 10519.41 8161.54 8537.05 8782.75 9345.01 9584.55 Vinaginsenoside R2 8388.35 5974.2 14675.42 16324.96 25653.7 20382.45 17599.51 25799.35 7981.68 3219.51 29009.49 11720.11 5489.82 6367.69 3702.04 10565.82 3220.13 9563.43 13348.42 17220.33 21164.94 6008.07 9174.22 1508.03 23076.63 8159.01 6348.76 6343.01 23722.62 18227.5 11412.57 14340.24 1389.85 7913.79 8506.49 15582.8 20257.59 5168.07 4368.89 5457.07 2806.75 5372.68 11120.63 6037.78 17296.59 1038.49 5374.45 10727.54 11384.31 4763.04 6632.55 3085.32 7335.35 7074.45 6921.28 1350.29 5653.03 917.42 4337.62 2726.44 20015.83 9325.99 790.02 4223.19 3114.79 5190.26 8003.95 3774.68 10720.4 14115.62 3225.18 5681.46 4067.42 65959.84 2773.58 4649.61 4594.95 4636.72 3537.21 4607.21 4411.65 4215.2 4284.64 4606.69 2-Deoxystreptamine 1004.1 659.63 768.7 3834.9 7942.24 7365.61 8483.71 1438.59 591.67 792.71 997.59 706.84 2666.8 633.83 707.8 914.86 1132.14 816.24 1064.05 927.27 643.1 540.22 807.6 892.58 1141.28 1050.73 766.97 1121.6 1249.33 373.64 279.72 1180.38 1131.68 407.8 354.69 871.19 826.2 366.13 318.77 544.17 9443.1 993.4 445.01 477.55 770.26 3572.62 686.14 607.06 442.74 610.57 1470.55 653.77 575.98 831.9 748.1 455.07 652.48 341.82 537.32 995.03 342.27 905.9 985.45 488.5 766.27 500.74 692.53 422.8 656.34 735.27 534 924.88 538.65 565.61 675.11 1787 1247.8 1503.29 1410.27 1525.98 1050.9 1561.57 1256.12 1514.95 Fumonisin B4 1056.06 585.99 1065.81 5322.94 7935.97 662.93 809.44 6262.95 1873.74 11513.12 12472.06 3254.49 8622.01 824.44 5684.37 2915.97 6934.55 4691.69 1253.3 681.19 6609.86 892.38 944.7 4847.73 3115.5 2127.64 1064.51 5885.3 4145.39 14497 795.8 5245.71 1195.53 9923.22 5138.37 5927.52 13214.21 9057.37 1415.25 7059.67 7429.93 12171.78 5598.83 6889.85 3281.13 16338.22 5392.17 4933.02 5346.37 4770.96 1951.9 4129.68 6553.88 9611.04 15691.93 12512.37 10443.21 11625.91 7744 4212.77 10229.35 7587.78 11803.28 5541.82 5388.57 14045.32 9528.08 4716.08 6455.5 6411.28 5537.94 4354.78 4868.77 9232.24 4198.1 5098.08 4358.93 4897.39 4879.53 4777.16 4672.46 4877.24 4911.62 4615.58 Ampeloside Bf2 302.56 359.63 406.07 719.78 1658.9 2569.42 1056.43 1082.39 834.54 331.92 854.05 740.29 633.95 736.44 548.23 432.29 276.5 566.91 308.91 437.89 491.54 795.85 613.4 590.26 512.23 953.63 476.66 7845.9 849.15 505.92 281.48 750.08 337.73 3485.6 1645.47 2487.05 2026.95 2799.12 1526.83 990.74 4645.54 3386.02 1515.58 1148.65 4081.73 1608.4 3092.12 1247.58 1098.09 942.99 2337.88 2531.96 2289.85 1760.47 1243.52 1957.92 1386.71 621.37 2037.82 1557.75 761.63 1287.48 1360.83 1620.95 720.79 3092.22 1864.63 1350.67 1430.67 893.91 2470.63 2137.78 1475.22 1120.31 1532.99 2343.8 2587.99 2447.16 2450.22 2323.94 2341.96 1900.67 2457.4 2626.24 16-Hydroxy-10-oxohexadecanoic acid 9302 7124.13 1963.76 4730.02 80215.33 71950.63 38138.08 2234.16 10785.64 6237.63 4449.37 4035.3 15832.91 5513.14 6744.58 1684.49 2576.06 4353.77 6591.45 3375.62 9352.86 5745.45 1816.99 12676.13 8537.89 11268.92 7879.44 8403.24 11284.89 2390.6 3786.82 5048.46 4436.4 5449.14 7269.48 10701.93 5581.96 4002.02 1123.99 4216.3 27139.33 11215.35 1468.25 9805.16 3448.38 19653.51 7020.62 9645.79 4582.21 3677.2 7606.03 6896.83 1117.01 14403.47 9957.83 3408.81 1846.48 1313.57 4748.74 2118.48 763.73 3376.61 4664.49 1697.05 1879.61 9197.42 10676 5817.25 7674.24 7573.02 6029.94 3492.71 2780.53 4417.07 11074.41 9597.58 9897.77 9612.38 10794.07 9879.03 9649.16 9875.98 9773.2 9124.53 Diazodiphenoquinone 3366.21 4326.06 3293.79 1199.64 2140.96 5156.54 1700.09 1323.55 935.89 1408.97 1682.6 2625.78 4854.84 3465.53 1318.75 577.63 5475.39 1387.53 1995.14 763.7 559.13 2067.3 985.56 2641.18 1219.08 2189.18 752.89 5029.63 2284.11 741.42 2065.71 1027.41 2960.56 2913.01 1685.82 615.28 1209.34 1916.89 1847.92 2271.89 769.8 613.02 3145.44 3645.69 1166.18 5254.9 778.55 633.9 2177.08 1800.67 1601.49 2822.8 3651.62 3248.79 3651.96 5601.3 3594.74 1244.96 1014.74 1053.54 2009.2 1152.88 1702.78 1960.19 1849.78 2378.75 876.21 1673.66 2737.6 641.97 1181.82 3671.26 1740.54 747.32 1599.91 1649.44 1618.32 1626.01 1539.27 1917.01 1650.19 1500.75 1655.98 1375.7 Dioctyl adipate 12110.07 29276.6 36373.75 4185.35 4642.96 7632.14 6021.58 12056.99 7885.37 10308.93 6749.16 4276.13 3682.24 4223.77 4651.2 2686.54 11339.18 20604.82 2631.25 2955.71 6556.34 1526.86 9803.15 8919.22 9771.22 22485.26 21257.51 9921.75 28994.41 18206.75 5010.1 2993.75 15934.98 5653.92 11352.18 9694.48 15488.26 14110.26 11142.2 12079.5 10458.5 4500.59 7466.88 10727.19 7252.41 5570.78 7657.92 9044.74 5787.91 2951.98 7902.94 6110.1 10942.25 6075.2 12011.38 13099.18 6640.48 10449.15 11168.46 13094.1 11774.37 5037.18 10606.36 10448.81 10183.7 12010.26 6007.19 10677.59 10108.36 5140.03 5194.53 13329.68 7930.5 5247.8 11700.49 2745.31 4598.91 2955.92 3392.55 3166.63 2347.97 3116.72 3241.36 3052.85 3901.92 7161.86 2303.64 4663.22 4432.96 4901.26 3358.49 4289.92 4370.55 5133.15 6305.27 4082.47 6689.74 4609.35 6245.58 6320.01 11591.18 11718.42 9954.08 11301.28 11738.61 11234.24 11766.11 11336.36 11676.74 Ginsenoside Rh3 110072.85 137914.22 82810.84 109510.66 141472.83 156545.55 82931.76 64992.95 73582.68 77173.55 41224.57 68245.02 99450.06 122215.71 77651.24 88815.32 81606.6 115184.96 111055.25 112768.25 84614.14 68833.44 60141.01 51815.95 69583.56 131750.64 64909.7 69705.55 122520.46 132567.5 126603.76 168701.26 79790.16 117389.56 72737.04 108150.77 84843.56 140033.99 69977.23 87455.71 150015.32 139066.55 76940.92 88744.12 127739.89 37486.91 99346.27 91317.38 105269.37 176816.61 116790.9 124344.78 74817.96 101346.22 77270.5 98794.47 77298.39 54282.89 68794.19 72690.4 73605.81 66548.33 80802.21 75798.02 54875.72 85050.48 129629.85 70916.39 68084.95 67319.26 84145.72 83174.66 67747.17 107885.61 92286 2731.76 3802.91 2104.51 2787.67 2510.64 2794.1 2355.19 2738.68 2045.91 2235.08 2967.57 1325.96 1994.38 2126.61 1303.34 2800.01 3068.44 2703.61 2207.77 2925.86 1249.09 2967.87 3042.91 3009.69 2561.14 99222.24 101822.04 103646.1 101823.04 101840.84 101176.27 101031.05 101834.76 101075.43 Gambierol 1881.8 1823.1 579.32 1919.62 14251.96 5306.58 3227.74 4139.77 2720.5 985.4 1161.2 1979.66 4848.41 1787.47 2942.1 2821.85 6654.93 6507.57 13757.43 2908.22 3069.33 1155.68 627.71 5104.39 5453.91 1289.25 1181.84 4752.52 3350.88 793.6 2150.66 2679.83 14588.92 9377.1 9307.55 10373.96 8340.36 11884.24 9837.97 11958.77 13891.73 3597.93 11555.25 10933.41 8366.97 8876.5 6429.02 9049.21 12019.59 2235.01 6277.75 6142.77 6357.47 4188.14 18798.79 9119.19 6843.83 10457.38 7317.17 12911 8881.17 10993.74 13207.87 11162.54 10163.94 13529.27 14753.86 7320.37 11679.48 11135.4 8790.48 8585.27 10890.7 13368.8 2977.38 8912.65 15755.03 8838.27 9008.98 9349.47 9520.39 8594.15 8820.18 8988.46 8905.02 8288.14 8960.03 9502.32 9311.51 8368.46 6062.9 8950.6 8798.25 8827.22 9136.95 9126.74 9068.33 8765.65 9228.95 10075.53 5272.03 7812.88 7744.64 7979.58 8172.16 8712.41 8473.38 8404.89 6301.99 Vanillactic acid 3336.97 3190.63 3413.23 4003.68 4656.32 3096.53 4563.52 3821.33 3068.52 4025.96 3897.72 3344.28 3322.18 3782.07 1770.79 4570.14 3411.59 3214.74 4374.61 3129.78 3253.09 613.91 3084.05 4403.84 3532.66 2068.59 4781.72 5414.27 4057.99 4148.6 3318.35 6288.75 2363.66 4749.17 4848.11 3341.1 4104.45 3720.01 5524.6 5082.64 4679.97 4299.51 4947.56 4118.3 4009.88 4122.5 2734.53 4518.01 4014.63 5856.88 3281.28 3009.34 3909.2 4858.04 2757.84 2999.72 2550.33 3580.67 2944.28 2541.72 3884.51 3233.51 2632.4 4213.98 4158.86 3351.8 3342.03 4122.3 4001.26 3272.61 3782.53 4410.16 4714 4200.02 4895.17 3681.9 3743.31 3656.82 3742.44 3531.9 3831.57 3741.42 3740.92 3741.94 Asperagenin 38603.96 29505.53 631.45 1277.59 52302.4 31016.06 7161.58 176473.06 15177.38 28422.85 3375.48 21770.18 6561.74 8811.05 31213.18 888.8 12561.99 28722.39 20647.42 26924.76 54890.6 35031.8 16477.16 10802.74 49258.17 153576.4 694.11 11616.89 1527.96 646.62 148361.65 6121.12 27488.44 2435.07 25529.53 36246.03 47760.9 29238.14 24883.73 20622.85 44517.6 67865.72 23740.57 19564.87 103829 3893.75 68152.32 44119.89 13531.38 3004.6 54042.31 25718.85 3639.35 1212.83 51470.31 24938.63 3676.91 17154.36 57294.22 32512.74 748.8 16510.62 33306.26 761.4 20048.46 39565.36 20835.22 27909.46 25063.6 51759.82 23999.22 4413.94 19294.48 25925.76 23695.34 37972.29 37835.73 36596.07 35569.84 35213.55 37055.33 36930.77 35739.61 36222.65 Valeracetate 91.23 52.83 194.88 2039.81 15787.24 14716.4 17591.78 131.53 172.86 159.25 140.45 222.73 1159.67 86.96 117.37 1025.15 114.07 49.84 67.66 117.93 106.22 59.42 433.29 56.09 100.82 80.82 44.89 62.62 112.04 76.44 184.13 121.09 106.4 72.33 625.21 163.73 146.11 410.78 63.13 121.57 3857.35 218.18 83.8 156.07 83.05 654.14 65.97 36.2 104.32 996 47.4 117.07 319.36 313.16 1100.09 67.25 139.66 116.99 72.85 526.17 729.74 482.16 119.36 173.17 142.95 290.29 122.33 235.06 75.88 64.45 58.45 173.56 207.14 107.17 162.94 2023.86 1981.04 1989.67 1981.07 1974.9 1990.04 1991.58 1990.1 1969.8 Lappaconitine 1755.42 402.47 2268.6 2249.23 406.55 6620.94 2522.37 6169.02 1706.65 526.9 2451.93 380.87 707.83 1500.67 673.18 1296.55 2114.11 1102.62 1606.35 436.96 4498.48 3322.68 981.61 2844.59 6834.25 315.27 468.9 1122.24 7290.61 1518.12 3243.35 7275.14 2504.39 2240.16 6961.43 4650.78 2847.2 7358 3364.23 2606.03 8406.78 6771.65 2211.05 3074.14 8907.37 11576.36 11108.23 4417.92 3402.6 7922.37 3634.1 5344.12 1320.88 2941.62 3643.68 2187.12 3417.75 4150.5 5738.63 6717.13 4833.08 5448.33 2203.39 2148.99 976.8 3892.38 6198.86 3127.61 3385.21 3684.58 4131.31 3915.72 1609.66 1358.83 3801.96 5537.3 5081.89 5299.44 5455.75 5475.15 5163.94 5283.78 5440.52 5472.2 calyculin A 286.93 559.47 150.81 343.66 595.34 394.11 279.74 1660.34 167.3 1061.46 369.76 197.37 160.59 456.74 313.07 473.21 228.23 759.24 599.14 1593.6 1173.01 534.46 608.86 662.39 145.05 459.24 294.95 574.34 560.01 999.08 490.82 2013.14 233.21 448.19 1038.85 4979.91 2799.33 166.55 260.58 603.71 960.79 7276.96 4013.73 315.19 8531.41 373.39 5086.35 4172.82 472.93 7893.27 1447.42 3135.69 708.65 190.27 2479.19 4130.65 928.5 235.15 4406.71 146.08 386.37 693.32 1722.35 1268.07 1406.66 1660.27 2841.48 271.85 293.41 1957.02 815.81 1928.23 213.39 1052.72 626.63 2594.99 2504.86 2737.63 2541.43 2587.47 2441.6 2591.42 2593.47 2519.03 Bovinocidin 9182.35 8693.12 8343.49 10230.09 8714.79 8981.76 8872.09 10973.39 8849.94 8313.71 7626.04 8776.32 6529.3 8584.05 8054.73 7883.61 8010.24 7893.63 7972.87 7926.08 8072.38 6703.75 8173.37 7961.93 8052.96 7894.38 7957.2 8042.09 7705.97 7411.37 7864.73 7623.17 7400.08 8441.9 9662.82 9377.35 8676.47 10346.67 8583.29 7429.35 9872.27 9650.16 9106.12 10827.48 8326.45 8358.89 7459.2 8460.78 8090.35 7983.87 8492.43 7966.97 7968.29 7144.85 8040.05 8242.83 7734.23 7462.01 8689.17 8212.5 7466.13 7635.47 8169.99 8175.2 7678.51 7889.61 7801.57 7872.04 7470.91 9603.76 7993.67 8688.29 9428.16 7540.18 6737.54 7499.67 7351.94 7571.13 7416.53 7310.16 7415.22 7404.66 7357.07 7351.92 O-Carbamoyl-L-serine 675.36 1084.88 1637.49 1597.35 676.68 582.21 1724.06 930.1 1002.38 10008.81 1473.98 5372.92 3993.38 1593 2275.54 1449.06 1225.73 609.3 10953.57 717.02 713.44 1024.65 1838.8 455.58 756.87 636.89 1244.25 1913.33 568.55 861.37 1126.83 1452.85 6557.82 1178.33 914.06 1216.41 821.61 904.11 1199.67 1218.22 1653.89 761.03 1334.2 1856.06 953.89 1124.67 675.49 616.51 1959.67 683.11 873.02 930.5 2158.63 1204.08 1240.42 1213.35 1561.57 650.29 2513.11 1015.62 1893.79 1161.22 1378.38 1722.71 957.77 1531.39 1833.85 2467.78 883.99 2058.59 1063.26 3098.04 625.78 3854.76 1367.3 1334.76 1425.06 1054.56 1445.68 1349.6 1421.52 1424.64 1445.51 1422.31 Docosadienoate (22:2n6) 2115.55 1310.13 1028.73 5264.86 29779.9 81569.27 12651.73 187.74 1529.82 1890.17 1144.02 2205.36 21882.93 1869.4 1205.85 7586.98 1942.46 795.46 1235.97 879.28 1534.49 1383.03 1082.41 1742.26 1375.18 1931.97 2882.13 1059.3 1948.5 3322.53 1366 3369.5 721.79 3897.53 1707.65 201.75 316.68 941.63 355.9 1734.41 30980.27 4879.28 318.11 237.68 335.38 31932.15 232.62 406.33 333.54 12819.81 2895.05 351.55 2612.85 11996.58 2388.81 365.55 1167.95 490.66 511.65 12033.05 599.93 1998.93 446.48 1988.99 621.44 4391.39 223.53 355.27 324.17 441.83 241.59 328.44 1049.54 3716.72 20643.82 4969.15 4869.27 5030.18 5448.59 5032.06 5019.63 4856.31 4774.47 5030.42 Gravacridonetriol glucoside 1502.83 2056.95 3686.87 1489.51 2780.67 506.33 3181.68 1957.83 2231.77 3451.64 6260.98 1985.58 4588.45 6715.83 2975.49 7132.65 3183.66 1647.05 10371.06 2265.71 2116.04 1740.33 5959.47 8116.89 1142.32 2838.6 8294.41 8298.55 3836.41 2062.99 2576.45 13299.29 1364.75 7958.76 2424.6 839.92 2606.4 1102.08 6192.36 6171.39 2359.81 1430.13 8846.75 4637.37 4097.13 1625.3 859.77 8666.72 1599.41 10001.76 1717.17 2202.95 7482.28 10509.45 733.95 796.17 3417.03 1018.42 1143.52 1245.04 4680.3 3171.33 505.84 2911.04 2483.75 1023.81 994.75 8283.57 1479.41 2122.02 1792.82 8879.27 7009.17 5129.15 7507.38 3707.92 3953 3591.76 3494.18 3415.15 3859.05 2633.61 4063.13 3854.89 Mascaroside 20186.89 19205.16 34888.48 35297.15 33522.45 5501.65 38872.11 28460.93 25948.4 40982.64 42865.53 38117.04 37869.06 33777.65 3223.16 63281.17 31447.81 2373.13 73109.1 37062.48 20725.44 4051.18 34607.48 46814.67 16191.38 18748.68 58060.01 5072.92 4031.26 20017 18500.13 60141.15 2405.77 44420.96 45420.99 24433.79 24607.67 18933.97 41775.66 36838.71 26089.37 76769.16 45662.15 36146.15 38948.96 33585.91 26999.48 46677.18 34222.63 53819.07 26785.89 13242.27 42165.07 47553.63 16480.14 15489.36 20996.2 31812.51 29375.56 12619.85 34046.74 27833.5 18225.67 33109.91 40890.03 22590.98 18141.95 35847.54 36452.48 19549.14 18352.73 42488.87 33681.83 51220.34 39372.05 33491.01 32602.92 33096.91 36116.88 33502.89 32689.46 32741.89 33586.83 31171.22 7',8'-Dihydro-8'-hydroxycitraniaxanthin 12651.42 14429.14 13885.29 9447.15 17589.54 10611.08 17089.59 22296.57 14158.63 13257.38 17500.95 14443.09 16245.63 15580.75 15725.75 8885.24 7834.35 10663.37 15308.5 17904.64 25450.41 16841.15 12303.46 12818.02 9265.22 9497.38 12301.65 9361.18 8273.85 6773.56 8696.65 16608.65 15519.58 16703.42 13751.83 10561.55 8653.34 11152.09 11670.02 13061.5 8088.55 18559.39 12462.42 14528.73 15879.09 3358.88 16055.06 15169.09 11907.09 14142.22 15457.46 9689.33 13615.65 14084.32 16963.17 8846.09 13523.6 6717.65 12313.89 13751.18 8234.67 10234.69 14212.52 8423.32 6054.84 9774.08 9934.1 10427.91 8660.67 12223.73 8376.49 14153.56 13025.42 8593.22 15124.16 5113.86 6789.12 3997.05 3613.88 4183.14 4000.98 4974.43 3583.09 4341.7 2923.55 4076.65 3704.29 2429.83 3088.3 2783.48 2983.16 2929.09 2587.09 3072.61 3547.53 3824.74 4142.14 3684.25 2507.91 2706.72 12863.14 12834.86 13754.58 11476.65 12253.09 12419.87 12797.14 12705.35 12189.18 pateamine A 18719.92 533.85 3561.99 1563.85 6130.86 446.91 4405.3 17593.27 2570.61 369.35 1009.68 1593.55 1782.79 1138.91 3040.7 2997.93 1936.51 2458.85 2098.77 2947.91 11220.8 878.7 1395.36 1537.82 11544.2 911.97 410.63 1382.15 12698.22 2036.53 8218.88 6479.36 2667.51 515.77 1067.83 6709.73 17290.74 1350.87 1663.45 775.83 2958.39 23350.08 2520.51 1348.51 4768.15 551.38 10821.7 238.04 6559.42 3350.48 8092.72 480.91 354.11 1540.46 8906.87 1156.98 951.68 515.14 11156.3 703.2 375.69 1687.68 442.79 688.55 471.94 4385.45 2829.95 1476.89 1111.94 7549.19 1611.91 1579.3 1344.26 1359.86 234.88 4709.25 5020.21 4528.19 4566.19 4610.96 4699.74 4174.01 4557.91 4721.94 Ethyl carbamate 1100.34 1057.58 1066.99 4018.5 4396.38 8122.09 9197.13 1811.11 1272.79 1117.99 878.11 814.18 1822.08 896.6 964.73 1042.01 814.07 1227.78 871.15 698.74 622.02 934.21 776.69 1354.39 977.96 837.36 1087.85 1303.79 1061.53 1322.22 813.89 1446.36 903.61 919.69 804.62 627.33 516.4 458.58 878.51 870.89 4216.95 1044.8 1096.78 933.78 581.33 2701.17 984.11 1086.97 1273.42 1011.05 1037.06 565.82 1038.18 1365.38 1499.97 880.55 630.73 688.55 924.64 917.16 1084.73 848.04 1002.28 699.36 870.03 1521.47 876.77 1369.43 439.74 696.77 978.12 1046.47 1065.83 949.77 1347.11 1601.61 1583.33 1521.62 1533.26 1579.37 2064.36 1463.54 1357.17 1604.27 N-Butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-7-YL]-N-methylundecanamide 15246.41 12508.4 12059.63 42759.94 16045.56 24573.91 28134.64 12209.93 10856.02 9849.73 11273.42 9892.42 22943.55 14505.43 12875.19 22165.18 12057.23 13742.44 16541.12 14932.77 13118.82 12354.13 8001.77 9308.54 10113.9 11350.21 10076.71 18272.24 12253.57 15939.74 13182.77 61518.72 8729.16 13649.27 14875.08 11883.02 11801.33 11740.68 10155.56 11088.78 25615.48 32055.11 18549.54 12772.99 12781.49 317198.6 17401.55 12027.41 11927.12 12100.41 14608.56 13209.37 13578.82 15675.65 12274.38 12580.45 11846.63 11413.19 9536.59 10796.13 11070.24 9425.21 11868.33 12257.75 10604.14 25632.01 20609.64 12501.06 12158.35 10658.39 10815.42 11686.69 18465.1 26020.06 18635.47 21978.86 22784.03 23002.07 22812.23 22517.28 22806.38 22613.32 22805.83 22799.16 Cotylenin F 1118.06 2464.41 1485.98 1800.92 3785.44 2595.59 2112.93 2214.4 1865.63 2081.77 3101.34 959.78 1587.52 2672.96 1740.66 3124.96 2297.99 8773.59 11414.11 1142.36 2625.58 2428.96 1212.99 1708.7 2030.19 905.25 1379.39 735.8 498.63 1000.69 2806.52 19790.69 710.4 4206.08 2934.97 5210.58 1134.24 821.06 854.64 1014.79 995.19 10714.27 690.94 1823.79 15242.46 2998.2 4485.86 3211.81 3518.06 9815.49 3437.06 543.16 6806.39 4871.25 2116.01 1912.97 2667.05 1041.56 1116.3 1741.97 1661.81 3436.54 1524.9 2026.93 694.8 1370.75 1011.12 1801.62 1505.59 2752.38 547.38 636.76 2359.86 1428.82 1085.85 2799.98 2923.61 2087.15 2924.98 3339.35 2600.3 2870.03 2864.03 2820.9 Phorbol caprate, tiglate 3468.98 3212.84 2696.23 3009.83 2681.61 4641.62 1014.12 2299.88 5297.77 6853.78 2758.16 2616.85 2857.63 3258.88 2046.72 3219.01 2641.36 2287.82 2383.9 3291.81 3289.05 2149.07 3109.94 3090.34 3156.99 5024.13 4152.01 5030.47 5365.53 3363.24 3723.51 4616.3 3288.29 5070.37 4061.81 4433.98 2774.67 4988.71 3420.21 2731.08 2732.33 3424.85 3044.33 2512.33 4489.74 2951.56 3883.5 3360.42 2659.46 4824.21 467.8 2182.75 2119.02 3195.57 436.11 3656.07 2412.36 2514.2 2636.27 1525.07 1587.49 493.63 3418.41 3071.92 2415.05 2771.83 4414.83 2692.78 3227.27 2475.23 4263.03 6113.95 2517.71 4694.99 2506.34 3822.67 4316.67 4192.7 4303.69 4907.32 4190.4 4104.44 4357.7 4357.97 Triclosan 32622.52 28499.04 25749.34 31981.94 17300.79 18138.64 21356.03 36089.48 21284.78 24487.36 35147.67 19681.4 17032.72 27006.13 21191.13 20334.96 22557.59 23249.48 19126.3 19715.42 25122.13 17609.2 18616.16 25905.51 30199.43 23248.22 25902.22 39972.4 39132.35 24939.84 22975.11 22139.62 19945.14 26274.06 26173.97 24261.65 30727.82 23556.39 27857.9 25277.09 21970.44 21102.87 27923.27 24439.57 22493.21 24173.5 21147.74 30616.89 28600.77 14653.88 23182.92 26259.38 25348.26 25400.68 31608.98 25536.54 32945.56 28601.9 22884.23 25705.83 39986.71 26235.22 22234.35 26246.25 27813 24137.93 22681.59 28127.37 28172.18 24143.97 18268.83 25764.04 26458.06 27262.04 27085.89 23980.48 23452.82 23712.56 23755.24 23420.93 24078.58 23439.07 25679.14 22750.17 2-Phosphoglyceric acid 3282.99 3887.97 3659.75 14772.63 6314.33 7539.92 15098.81 4774.93 3209.54 3348.41 5420.4 5977.92 15676.92 9309.32 4903.16 8954.75 9274.31 5466.97 9797.5 2784.18 7608.86 21321.34 12988.14 10996.04 4548.75 4558.23 6943.35 4509.8 3647.92 16993.3 3202.64 27511.63 2842.6 11747.78 13094.28 2488.68 3745.56 4148.26 10318.9 5762.74 12183.69 6767.89 11153.79 13456.38 6950.68 15534.45 1013.11 4596.67 5767.53 7178.79 4581.42 3576.3 10749.25 15816.17 11067.58 2139.72 18379.73 19379.37 6996.05 10667.65 7499.86 11468.18 2425.75 17370.95 4317.36 4934.41 1670.72 6511.54 2965.07 3415.11 599.7 12900.76 5967.59 13493.92 15438.32 8272.32 4733.53 7880.66 8271.85 8173.56 8059.51 8251.05 7878.45 8315.48 Lonchocarpenin 1653.86 5950.84 7499.16 5038.06 5176.98 10986.49 4735.35 1684.97 9818.82 1065.75 1484.19 3062.97 5383.66 2613.97 6404.5 924.94 7325.38 1216.36 2462.39 1055.47 4363.12 3472.21 730.67 1384.49 4688.69 5333.21 1117.94 859.32 1145.34 3950.64 2317.54 526.76 577.91 6264.37 1623.11 1729.62 6773.54 1949.65 1345.31 4154.33 2035.05 2160.33 5689.94 2998.14 1456.83 1000.49 1396.33 2791.14 1543.61 2857.76 3036.79 4492.69 2546.67 3755.7 5259.01 792.2 6286.66 2428.99 2416.03 3101.46 2688.15 2218.64 4828.85 1887.23 5345.24 2757.52 1682.27 2248.46 2265.09 2855.46 1585.68 5002.11 1985.21 2174.06 1590.08 2409.7 2478.3 2495.43 2238.03 2354.81 2466.32 2352.29 2314.26 2465.57 Levallorphan 1702.24 30012.03 17307.38 17841.57 36416.38 40372.45 20679.81 27143.86 30918.11 19768.51 9383.77 11710.46 13910.63 12734.9 20838.41 16060.29 11623.14 18593.01 17702.24 18450.59 21122.22 14820.15 10155.75 18808 31744.85 33106.02 17591.84 19691.38 28155.2 8529.82 32944.58 18691.91 10852.31 19666.99 17260.46 31173.76 21698.29 25456.78 16437.98 12057.31 34671.68 37615.53 17954.82 14130.29 27022.32 14594.27 27235.36 17267.36 15826.88 26171.68 15649.12 23440.04 15667.15 20029.83 13707.92 20899.18 12965.83 12906.25 20413.65 19944.56 12139.75 11650.07 17670.08 15433.8 11722.01 26356.99 29864.28 18402.45 16588.89 22768.43 23928.59 21731.73 15250.3 17325.97 19400.06 21586.13 21378.01 21615.21 20981.15 21133.58 21371.67 21586.52 21372.36 21373.54 Ipomeatetrahydrofuran 174.7 150.76 371.36 11581.07 9558.69 14802.04 29417.08 305.9 57.07 189.36 163.45 127.68 5737.27 507.5 253.09 986.17 390.26 166.8 187.36 102.67 247.56 426.42 192.43 266.57 63.46 174.88 269.71 237.58 267.32 310.82 198.56 785.19 191.09 1731.08 290.91 157.55 212.36 782.46 215 55.18 13417.03 1394.94 176.22 223.71 184.46 6819.25 179.31 72.55 376.22 105.82 1359.8 58.74 179.28 677.54 1926.23 212.34 404.95 53.4 89.24 1401.06 216.67 888.83 483.35 150.65 149.48 1358.87 207.76 230.32 199.26 203.78 192.63 65.53 168.14 660.93 1150.81 2570.86 2572.04 2606.12 2597.65 2604.41 2560.92 2569.92 2592.65 2618.39 (-)-Limonene 5344.01 2342.93 8112.01 2660.47 5599.68 4523.81 6716.97 4376.23 6301.25 965.29 2051.75 787.65 3225.58 2498.3 3086.98 3295.99 2011.62 1963.08 4358.5 2667.22 5444.07 1880.53 3243.99 5191.56 2877.38 2425.06 4292.43 3476.17 6878.67 1554.31 2396.85 2891.94 2114.26 7074.25 3648.59 3587.7 5784.26 1999.67 6019.4 3135.28 4981.26 4097.57 3375.59 2684.28 5330.08 4857.48 3930.23 5878.63 3301.71 5526.91 2911.85 5704.3 5383.68 12283.73 5105.46 6466.94 4575.05 3308.76 3429.26 4204.21 5260.76 3184.41 3129.59 6197.32 3824.18 3439.12 4517.6 5642.93 7107.67 4070.62 4744.77 3706.32 3672.37 3204.44 8741.97 8023.77 6225.2 5978.78 5852.14 6650.58 5663.49 6471.53 5841.41 4895.95 Vinorelbine Ditartarate 719.68 633.35 2095.55 8830.56 812.71 1684.05 8322.08 677.74 221.05 1165.03 692.56 629.7 1463.49 259.16 324.71 2009.49 413.99 1120.74 1204.42 1227.13 1166.57 3966.69 165.59 1694.52 409.27 438.19 1001.8 410.92 1638.1 417.91 259.32 349.6 584.07 2054.69 1413.6 467.73 1086.6 1391.03 432.15 455.53 12049.27 1235.36 818.3 1115.64 1462.45 7623.65 951.07 1429.4 1109.89 781.3 952.01 1575.93 856.9 2627.33 2136.2 1610.93 1829.08 2039.03 452.03 2519.14 1488.91 358.69 484.66 3542.84 861.16 2187.57 1594.81 386.9 187.14 1343.58 344.07 1477.53 147.47 2567.78 1919.4 4372.97 4392.54 4379.15 4465.76 4372.73 4528.34 4376.1 4472.71 4374.18 Hv-NCC-1 2129.13 2354.88 1554.68 1390.55 2565.63 5525.05 3136.68 9545.93 5514.6 1096.41 2147.11 3018.22 603.44 3384.52 8811.91 4970.65 2822.11 3048.43 3467.43 3034.51 8374.16 3470.57 1166.72 2410.2 4144.01 2901.36 2827.43 597.07 3675.6 4970.65 1810.36 18093.35 2742.89 1529.79 2888.52 3129.47 13357.01 1873.5 1426.4 2626.21 15118.37 5360.65 3125.71 939.04 8395.44 901.92 11841.89 6638.68 1090.61 8467.49 5394.17 3600.78 1089.56 1716.17 5782.01 2184.83 658.91 2352.1 12724.9 3486.08 904.12 1868.38 4743.66 2341.27 2251.42 8371.23 7566.34 249.61 3183.88 9704.68 3105.4 3259.58 5501.64 2269.31 1381.13 2215.84 5027.3 5397.87 5050.5 4868.38 5449.47 5356.55 5108.39 5380.15 Carbamic acid 3541.57 4466.69 3522.16 6986.92 4485.06 6689.74 5138.31 5184.58 6861.72 4760.59 4425.77 10541.75 15227.79 2683.5 3265.79 4136.59 4159.87 6135.78 26574.32 1974.1 4082.02 2721.04 3294.14 4934.38 4258.05 2496.21 5943.26 2638.15 3300.93 5819.2 4202.45 2920.77 1985.91 3058.85 5082.19 6480.07 3184.11 8354.52 1780.28 2834.06 2351.3 2739.95 12422.19 7123.72 5239.08 902.67 852.02 4993.55 2168.72 4147.29 4191.06 8830.99 693.13 823.16 1593.73 7911.53 3048.36 3095.61 759.6 2113.34 3671.37 3808.1 2712.75 544.35 1687.98 3684.45 6564.89 600.52 8805.63 4510.07 7369.7 7809.1 3726.03 897.47 1706.84 4355.73 4422.13 4419.1 4394.56 4115.35 4345.67 4418.95 4437.11 4533.04 (-)-Santiaguine 1291.74 23434.98 8906.94 13415.04 4964.05 688.59 1894.48 8867.39 3202.47 6913.69 4079.45 1723.47 8740.88 13785.26 19381.56 19792.16 15964.85 20795.14 23663.66 4545.01 13648.66 1198.22 5870.97 17590.65 2873.07 14356.7 1653.75 612.65 12611.35 6226.42 17235.3 29473.08 8363.52 6312.16 9558.32 7855.84 9172.06 5926.53 5336.3 17471.48 9487.55 16033.2 20234.5 15490.91 12804.38 12601.04 21169.19 25693 8256.51 36090.85 879.28 11288.75 5735.29 25998.89 13331.87 21444.81 13292.89 19471.69 12866.85 8885.08 9280.57 8908.62 15960.23 13455.08 15122.91 24119.46 18950.55 10650.97 21092.68 18545.6 19092.64 15479.47 6575.7 16010.48 13626.06 13334.69 15190.86 13955.85 13077.74 13369.23 13868.61 12839.94 13745.5 13334.4 Diprenorphine 6785.91 5021.12 4723.34 5743.27 3658.8 3309.26 7297.35 13745.9 2770.29 5771.51 11389.61 2999.39 20065.34 4602.53 1976.53 5882.38 6910.57 4398.84 11084.92 9346.4 9682.2 13235.3 4506.19 639.94 4727.66 18548.76 611.78 13431.77 1402.11 1066 7599.61 5787.55 6763.36 2860.38 5636.53 4566.48 5383.64 4088.5 5475.55 2333.87 4988.2 3021.96 5592.95 3352.71 4941.47 4723.25 2324.73 5176.37 6356.97 5683.93 6648.94 6990.49 3791.84 10037.92 9971.3 7085.85 5012.9 4475.11 4060.15 6065.12 4240.8 6473.01 4216.04 5144.94 4946.38 7651.9 4775.97 6971.21 5560.82 3298.94 5069.29 6294.51 3938.42 5070.08 3013.12 5540.74 5302.29 5335.91 5552.65 5342.83 5538.16 5594.88 5539.05 5177.61 alpha-Glyceryl linoleate 16761.75 9877.27 16705.08 12118.94 5521.26 4506.8 11165.8 11204.12 8311.5 11600.65 8251.75 3472.5 2537.69 4225.79 3219.21 43419.86 14278.69 15368.93 4823.03 15779.16 8658.73 607.48 5424.13 9757.13 4878.43 5615.93 12385.17 12217.38 10779.44 13754.78 16768.19 5943.97 1573.88 18191.78 10420.87 9112.82 9339.49 13341.38 24241.2 10308.53 3584.4 8164.57 7056.86 12739.64 8362.66 7152.92 7547.76 12152.2 4790.48 13107.44 10333.47 7990.97 17441.41 12541.84 7491.45 9783.62 13731.16 9150.17 11336.89 6875.7 11321.39 12043.72 15161.17 10752.18 18236.65 10678.19 10826.36 11368.05 10492.21 11404.26 10952.45 9150.85 7168.55 6408.62 9005.95 8259.89 8878.09 8453.82 8262.36 8454.72 8220.39 8457.95 8461.04 7382.28 Isofumonisin B1 1318.29 1177.94 2619.95 3241.51 1333.9 2025.02 2598 1065.86 1539.8 2504.16 1535.65 914.01 864.23 944.23 1127.08 2373.47 1644.92 990.97 433.04 740.13 880.09 625.63 942.32 3053.16 1752.22 1217.17 3396.36 1387.82 1183.4 898.8 796.44 611.54 1475.41 1382.41 1911.62 736.25 1843.01 652.69 1698.95 3389.05 1220.66 1041.6 2579.39 1153.15 818.93 397.34 743.26 3350.75 1292.26 478.93 813.71 1053.79 2091.63 2204.69 878.89 1438.96 1718.41 2295.99 1098.67 2661.55 989.1 662.54 923.36 3675.16 2000.59 1329.67 498.41 557.31 1525.92 1260.29 402.58 4075.29 2233.46 5515.95 547.54 1834.77 1969.75 1789.64 1830.31 1622.56 1867.97 1788.44 1807.47 1789.19 22-Acetylpriverogenin B 1436.36 2880.85 3473.36 4123.26 2503.58 1804.56 4082.2 3238.09 1194.68 3294.93 3285.84 4750.67 6273.77 3962.7 2419.89 4098.36 2206.36 3271.83 1057.92 2192.5 3558.68 2248.83 3833.26 3435.03 5318.27 2624.5 3585.14 2862.34 3754.5 5340.76 2725.2 8461.48 2163.86 4597.02 2930.7 3883.72 3141.8 2128.69 2289.97 3405.35 2785.43 2637.34 3713.48 3777.14 2790.95 4655.99 3143.71 1137.02 2439.78 9988.35 1113.89 900.63 5169.41 7323.29 1636.19 2642.87 2987.04 1518.4 872.56 2129.33 1644.13 2541.37 1698.35 3385.93 4315.85 1511.75 2833.91 3064.31 4944.14 3223.11 1548.43 4454.09 2928.33 4637.5 5574.82 3396.54 3182.92 3397.45 3241.98 2837.54 3229.87 3400.98 3180.8 3538.62 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone 8576.8 8485.74 913.21 11284.19 13182.34 2916.71 3246.66 6612.64 1310.2 7968.64 8235.04 1401.57 5470.32 4641 817.53 1363.59 1248.19 1937.57 380.02 2676.95 850.79 878.34 3670.13 441.43 9621.1 4684.88 5221.61 1165.04 3781.78 958.13 1913.3 26812.31 825.12 10228.64 9393.29 10278.17 3997.34 4329.1 7791.83 6769.38 7870.19 6027.68 7971.47 6643.41 8803.28 12387.96 9201.85 7656.94 7873.68 19919.74 1843.42 1888.81 8617.47 6676.41 475.32 2265.27 3857.72 6961.69 1380.93 1607.71 3302.52 4040.18 2293.94 10754.04 6703.38 2191.82 1186.13 8359.62 8029.99 8971.94 5962.32 9946.15 7401.12 9330.69 2572.99 9888.31 9466.96 7726.65 9095.07 9044.19 9078.58 9449.75 9437.64 9207.5 Homodolichosterone 29463.64 23701.57 32098.09 24008.94 42186.92 23201.82 11855.83 50784.79 1620.96 22758.89 24319.35 21928.68 21737.93 880.32 26719.94 34155.49 21986.23 737.46 43061.4 27794.75 40928.88 1018.31 26859.3 44008.61 33400.97 732.63 19170.34 38454.71 36412.31 27861.21 21719.17 2665.97 24957.24 13796.26 18039.15 22153.36 30404.9 9668.28 21985.56 21370.8 28481.7 50175.1 41496.01 28612.37 24947.35 17463.94 43969.14 60074.31 37477.68 46846.16 48881.63 34825.18 37700.65 37608.4 37257.96 11699.78 19891.3 9532.38 20360.89 8635.87 28713.44 13143.42 33064.11 42185.54 32220.51 43566 16797.79 16022.86 17334.75 41353.93 14617.24 10313.67 11799.36 30855.97 60479.64 25574.57 24794.52 25503.31 24861.45 25242.3 24909.49 26164.61 25382.44 24813.59 2,5-Dihydroxypyridine 10362.01 11316.9 14653.88 7093.02 8846.37 8337.49 1875.96 19659.82 3429.36 16170.18 5178.79 10152.47 22443.97 13410.73 11722.37 12875.9 10784.8 11982.21 18344.8 9469.46 1875.95 10728.5 15389.98 12994.13 4470.39 10034.95 11981.1 15474.87 21957.88 2803.74 5646.17 16098.45 9109.3 10713.76 9543.83 23593.55 10145.97 3942.88 11581.53 12374.91 8586.09 16552.3 17599.22 13274.09 16823.72 5888.49 18520.09 19852.73 9926.04 13260.37 9072.05 10308.56 11285.54 7832.4 9638.2 15211.57 18509.06 9770.47 5895.37 2046.27 14392.97 11420.73 10603.44 1634.44 6918.99 13888.64 3670.46 22376.19 18399.15 11744.91 8088.64 13132.07 4824.69 2290.18 11235.67 11883.61 11731.57 11738.88 11540.71 11734.4 11886.17 11764.1 11883.83 11888.78 Calendulaglycoside E 43819.55 24016.42 11625.61 11173.78 58080.22 42183.21 2477.57 101158.27 88151.7 53300.98 21638.92 42512.34 26802.02 30496.58 52308.45 44149.83 18160.22 2683.07 42265.63 1913.27 72520.28 34950.63 22106.74 26816.05 56847.61 1238.89 32726.31 29875.82 79747.35 32071.82 61752.1 110938.17 36294.26 24700.23 2556.51 91997.42 133417.1 23660.91 15685.49 3263.91 35455.78 100810.84 30485.51 16994.63 125535.1 23108.01 70966.62 49509.65 5298.23 74433.99 54326.11 57581.97 23740.41 27038.27 76576.03 59523.6 777.62 858.48 105146.34 25396.8 15358.84 4336.25 61183.42 29429.28 23274.26 66939.87 81553.97 17024.81 14318.67 145115.07 22478.17 63125.98 40640.95 21917.36 1339.51 54042.77 53408.31 54399.94 53397.39 53422.75 54063.04 53425.5 53416.6 52650.16 Cyclopassifloside II 1894.91 938.32 681.22 1301.79 3101.6 2256.03 29118.54 3099.66 592.35 2183.79 1810.44 1328.68 1460.95 561.92 2815.61 435.4 753.88 1678.91 1724.28 3355.87 1319.88 1158.91 508.88 1798.11 475.15 593.45 1900.45 609.24 701.19 771.6 1755.75 3485.72 1886.46 1736.04 2415.5 1150.85 1979.9 2861.04 1885.47 763.5 5871.02 1310.21 635.13 451.66 1441.11 550.24 3966.98 777.26 52225.62 15996.13 7508.61 4485.29 5429.67 3153.93 2457.8 5800.64 7794.78 5978.3 3631.62 5166.3 2840.7 611.92 2235.53 2088.76 5328.65 1835.28 3018.73 6311.63 4818.82 838.63 1248.08 867.76 31858.89 144754.88 29414.79 3597.22 3699.62 3418.15 2870.42 3264.87 3348.15 3625.6 3678.7 3013.81 17-Deoxycortolone 368.47 372.57 277.02 40.99 586.28 248.08 83.19 290.02 205.27 209.52 220.41 248.69 181.15 260.06 249.06 159.49 190.65 270.8 275.11 264.07 313.78 183.52 209.69 226.88 224.13 309.11 197.38 259.07 294.36 241.74 608.18 382.1 249.62 270.27 205.8 268.9 218.28 321.05 239.71 211.57 528.11 358.27 199.4 207.4 289.4 269.72 194.58 181.61 176.62 548.22 427.09 246.99 201.08 201.77 253.07 138.08 56.97 172.24 209.85 200.29 222.29 193.11 200.78 188.63 180.66 176.89 326.53 234.61 284.65 208.16 287.12 234.98 213.24 131.93 94.57 2726.9 3007.17 3080.1 3019.19 3058.03 3077.24 3012.13 3093.56 3076.63 7-Methyljuglone 5130.49 2996.64 2856.7 4347.49 4161.93 3631.83 2941.74 5509.18 1163.01 3065.2 2766.8 3258.26 2498.02 3374.15 5050.18 3803.86 5017.98 4016.89 5269.49 3995.94 3242.42 2222.83 3971.53 6549.75 4231.36 5048 3884.61 6007.65 5046.5 3342.85 5693.65 3401.66 2690.45 4160.2 3729.79 8076.7 3241.56 3445.35 5200.92 4206 6497.89 4771.56 5787.66 3217.11 4309.53 4410.67 3220.06 2516.84 3084.6 4125.42 2922.18 3662.89 3020.91 3582.8 6569.26 3254.88 5484.05 2647.33 5252.61 3499.84 2934.98 3511.51 1830.4 4769.11 2377.1 3255.65 5524.78 5377.3 4851.74 6091.54 3425.06 3731.11 3930.8 3448.37 3694.95 3958.03 3541.16 3967.57 3962.15 3976 4077.64 4083.1 4523.06 3934.52 2-Mercaptoethanesulfonic acid 7928.26 7867.13 7770.64 9213.81 8173.03 8217.72 8575.99 9174.81 7255.53 6691.36 6948.38 6254.65 6467.05 6875.3 6936.33 7000.31 8106.13 6678.25 6866.27 6583.42 6671.83 5966.39 6181.83 7003.26 7327.59 7546.43 7593.04 7531.02 7408.76 7288.47 7458.58 7368.11 6676.2 7384.28 8002.8 7482.83 9625.67 8177.55 7414.78 7892.65 8953.07 8582.61 8496.54 11116.69 8365.89 6972.16 7184.03 8080.86 7472.17 6548.71 8094.53 8551.36 8076.18 7512.19 7451.14 6981.74 7274.3 7440.76 7923.71 7894.13 7356.31 6984.02 7774.36 7208 7809.08 8280.37 7735.26 7833.25 7545.24 8438.53 7207.21 6651.1 8910.65 8124.79 6991.21 8101.17 7773.9 8101.19 7613.09 7986.48 7988.81 7509.07 7770.67 8013.03 Tautomycin 1413.48 2266.22 1500.02 287.36 513.7 2217.1 1296.51 473.1 2050.75 760.86 1621.65 2216.65 3016.51 4270.03 318.32 2070.06 1267.98 352.97 869.47 390.75 1209.93 1368.54 674.95 1396.07 638.74 1035.44 780.47 7825.64 12513.15 4387.46 462.84 685.98 1173.53 750.7 400.9 8739.84 2962.54 1248.65 721.76 1074.86 1581.54 3427.93 1588.42 1875.5 503.51 520.8 11984.99 4105.9 2835.31 6350.11 1191.05 1513.9 1045.46 3254.71 1509.81 1818.45 1159.12 1712.45 1329.59 2149.47 1723.11 875.27 1742.97 2232.87 1610.47 1365.66 832.35 1463.03 2296.21 1875.9 1139.82 501.68 894.87 2105.02 1762.91 2798.59 4867.68 3197.33 2565.0 4102.15 2556.05 3313.26 3282.23 3055.83 3038.82 2966.41 4238.79 3338.37 3482.95 3693.67 1782.62 3294.75 3622.05 3288.68 2245.19 2772.29 3707.36 2332.27 2597.25 3510.23 2965.88 2808.15 2705.9 2576.84 2860.96 2678.77 2637.59 2577.12 2825.57 Validamycin A 816.77 1060.6 12357.86 5589.39 7872.11 7624.46 9446.52 11009.69 9674.08 4215.87 546.12 3053.34 5615.08 2364.25 7009.2 18850.44 14868.71 4521.95 1542.12 7775.62 6759.78 3585.89 2283.31 7117.76 3713.66 4379.86 2312.15 3888.78 815.67 7350.31 15706.91 2685.47 14900.82 5725.64 7856.67 7880.64 13248.87 14294.97 3097.58 4763.52 15769.15 10038.05 5567.36 8771.32 20634.56 17129.82 17336.72 4283.81 7729.14 16670.72 1957.94 17276 12633.51 7852.8 2311.05 8528.8 6371.47 15586.39 9878.41 786.53 5291.62 2770.51 12594.87 8460.62 7477.21 6323.4 17502.01 6946.98 2976.56 12739.07 14075.08 2445.6 15801.1 13113.45 15005.21 8197.01 7849.03 8877.89 8373.6 8300.56 8911.76 8675.82 8653.45 8882.85 Fistularin 1 3919.79 579.68 6408.66 893.35 641.45 13203.06 2460.77 3030.86 1749.9 1168.65 1287.27 525.33 7869.35 744.5 1801.02 733.96 1064.89 1519.07 1341.85 846.2 1550.81 1577.74 984.11 1274.83 387.88 4543.66 1011.54 636.89 775.79 392.01 359.87 462.68 924.23 292.29 618.37 606.99 364.9 380.04 267.64 485.57 586.48 347.99 519.38 511.18 442.05 439.83 612.73 490.75 66028.15 6325.04 4265.85 2832.61 3119.86 2861.67 2633.76 2502.8 2082.93 2441.23 2087.38 1785.24 2259.81 2730.67 1557.43 1682.38 1508.04 1729.49 1531.91 1707.45 1397.72 465.93 1254.17 1219.61 19972.97 50431.81 14042.87 2721.66 2723.89 2617.11 2585.62 2647.78 2750.77 2764.44 2546.48 2280.55 Goshonoside F6 5147.97 4965.58 1251.36 19347.06 3070.94 3910.08 30822.26 2247.83 1471.52 22079.44 16904.97 5497.12 4298.45 715.92 1797.15 4918.85 17309.36 4983.11 6023.39 4076.55 3862.59 3347.11 596.34 872.06 5547.37 5888.3 17124 2805.03 6067.18 4667.09 3979.62 6532.75 5535.56 15408.69 3570.9 1857.48 4389.19 20352.89 8680.32 13100.23 5595.83 2533.39 12811.64 6322.08 3261.41 5081.89 2858.09 3641.88 2210.24 1204.79 5755.64 4216.26 18210.87 2804.84 4216.05 1368.21 7251.69 1891 4427.28 13854.12 959.87 24124.78 4137.97 1685.54 1882.77 1716.04 6251.21 20414.33 20427.95 7405.64 2042.84 51429.09 1369.48 4450.74 6028.6 4041.66 3771.54 3760.7 4024.67 3583.28 4109.4 4024.06 4062.49 3933.5 Polyoxyethylene sorbitan monooleate 1771.5 1448.73 799.73 7618.53 14361.96 1135.35 4565.93 2184.15 1632.78 224.01 1262.91 358 4373.73 955.8 315.11 346.18 1016.57 400.51 1753.22 2180.15 2715.27 478.62 226.71 1127.94 218.9 274.16 809.49 570.59 2347.65 1180.3 410.93 7866.53 534.32 1201.91 3502.48 1173.5 724.14 204.68 207.54 951.09 2410.7 5980.21 379.85 387.09 1705.45 3071.08 1221.9 1229.71 1122.44 1121.05 781.15 895.91 963.08 437.26 2618.12 914.52 931.72 405.69 1896.22 1085.6 252.77 599.68 1690.14 544.89 498.29 4201.31 322.84 818.38 923.68 1602.25 389.56 941.51 800.33 3505.66 2190.62 2838.06 2815.13 2808.96 3009.88 2758.8 2869.54 2878.62 2878.59 2863.53 Lucidenic acid N 570.79 5565.35 898.93 3635.81 80647.95 55557.52 87718.59 3219.6 7304.61 1088.96 703.38 1650.84 2215.54 1340.28 1056.63 1311.02 165.59 12502.2 767.14 3081.02 539.3 1387.75 921.29 1356.77 574.23 1349.55 1178.39 1105.56 5606.65 1027.94 2235.64 3937.17 2190.97 1052.14 930.53 3762.94 2439 4281.34 218.02 1081.22 16776.67 5845.41 1111.85 860.15 4448.52 4560.38 3938.29 2129.43 780.78 2543.21 5759.75 2068.64 680.44 587.96 2387.84 4332.6 794.14 531.55 2554.92 1278.81 1158.95 1247.05 5210.64 537.94 601.87 4715 7691.54 1438.46 377.88 8413.04 10217.77 746.37 507.55 1309.94 1179.93 7123.18 8295.29 7891.93 7907.39 7887.65 7607.88 7043.3 6529.6 7504.68 L-rhamnulose 271602.54 187758.02 103056.48 101120.93 243129 306618.42 137021.57 251692.12 2337.51 380415.62 274121.44 255288.73 140211.29 258354.48 227128.24 251164.46 158308.63 202857.02 319532.84 203668.59 83925.61 170853.73 169480.65 184909.46 236931.23 240761.06 201061.2 196718.77 341606.42 41872.48 194578.95 135296.74 191623.5 173909.85 169367.59 302309.63 232446.95 317398.38 238435.98 230452.63 223267.28 398250.97 245398.81 212731.79 312177.23 131063.1 226143.23 297214.6 397201.91 379803.88 357694.28 369747.86 220347.08 216159.55 135441.48 263834.81 69519.91 70105.3 199783.94 179852.67 204162.19 236511.86 248064.36 103354.43 126820.97 330181.55 217700.36 237206.49 208797.79 174330.98 180830.22 199456.07 238577.34 201674.59 153208.98 233174.27 235129.67 234402.66 233173.61 233156.43 233289.83 235814.62 233155.58 231994.39 (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-ol 4788.07 3835.88 8991.82 9450.65 5550.52 6903.63 5137.37 18232.74 9486.87 9378.99 12817.61 9322.88 2305.38 7489.61 8358.18 7743.18 8205.68 10004.83 11998.15 9584.38 7370.51 9060.81 9661.16 7948.43 6298.71 8520.86 8767.41 6866.65 5415.36 6532.98 9759.03 9887.12 7624.53 7973.64 6017.73 4640.04 5389.84 9097.34 8370.61 2378.02 7122.21 12006.97 14343.71 8025.2 10369.88 2233.35 6020.26 7799.2 7980.33 6170.94 10623.91 4285.86 14343 6687.74 6240.49 2054.04 4577.36 1716.49 1732.57 8798.66 4670.24 1491.83 7847.93 8944.63 4140.95 7976.76 8296.99 14033.49 6883.92 11133.2 10335.83 7669.03 8913.36 10245.6 8349.22 3406.7 7288.71 7997.63 7642.77 7871.47 7830.67 7835.64 7531.1 7383.65 11-Oxo-beta-amyrin 27791.58 21970.2 22305.38 75960.18 27718.17 38220.89 48156.74 26261.77 19181.47 18074.72 20342.33 17136 37847.59 23997.35 20471.13 35476.29 21571.02 25144.38 28890.74 24698.17 23592.02 22000.37 14042.6 18236.57 19194.04 21727.22 20415.04 20242.11 22477.36 26049.58 24404.59 109449.07 15551.26 24075.31 33551.65 22036.79 21401.83 21113.09 19060.31 20774.44 48732.01 53597.02 34684.75 20953.37 23992.54 370683.62 30320.56 21401.23 36237.92 36380.14 25383.3 26890.26 24184.54 5523.44 22996.56 23008.86 21068.82 20619.74 19551.75 18588.99 19822.43 16721.2 22146.41 21996.73 20264.13 44294.12 22604.47 22016.4 21746.78 18855.54 19087.23 21047.61 19438.35 44878.79 1344.52 26707.69 28167.54 26873.61 26711.9 9723.07 28387.49 28270.44 28057.16 27430.25 Peiminine 1156.89 3154.22 1170.02 3155.41 5206.55 1499.33 393.26 1020.09 3931.94 2245.19 1702.5 1587.52 681.63 2345.96 2462.5 4834.89 1065.23 6775.43 10306.76 2304.04 1336.24 821.29 2312.14 1099.6 609.34 3299.95 2217.61 688.33 2980.42 2894.46 4508.8 2649.14 691.7 4546.35 4426.93 2739.32 1699.75 3743.05 2625.97 1251.72 4781.88 3328.13 3006.54 5040.57 5361.93 3657.22 1692.84 5399.47 4099.02 2035.02 2728.56 3019.5 4614.72 3086.97 3966.76 2992.47 3301.54 3415.2 3352.88 3884.04 2770.37 3274.93 2156.49 1494.52 1481.28 2485.81 3575.47 1369.15 3333.41 2096.64 3180.6 3383.45 1299.76 7257.42 9865.2 4311.77 4175.96 4352.2 4411.04 4419.39 4518.81 4377.85 4422.23 4390.33 3,4-Dimethoxybenzaldehyde 178.69 332.65 190.27 4176.24 3930.84 3009.03 5073.21 465.63 537.24 406.84 484.36 215.77 2719.3 490.37 673.69 3237.72 245.89 640.76 297.45 3743.87 1095.07 652.64 308.81 183.5 396.89 190.66 391.46 372.91 719.3 157.96 410.88 334.21 1725.72 1096.18 156.01 366.54 398.91 1362.62 151.02 180.93 2861.08 824.85 375.42 473.94 521.28 2943.82 482.95 401.63 470.97 1177.01 778.11 359.29 365.11 414.92 994.57 514.26 1756.72 453.35 439.85 1449.42 586.14 1003.33 213.73 582.32 515.8 418.24 151.32 376.06 432.84 518.1 978.98 431.33 456.09 134.24 648.66 2143.56 2138.14 2143.13 2142.91 2028.35 2112.75 2125.08 2115.31 2113.89 Muridienin 4 4739.41 5574.11 2997.47 5616.75 6832.35 15240.1 5534.23 7302.23 7806.89 6746.31 1690.36 2227.57 3371.32 2745.56 4334.91 5422.52 2905.24 17294.05 723.06 6407.2 13196.72 583.99 13042.54 2699.24 4157.57 1132.33 6251.1 3825.5 1482.76 1700.51 15703.7 3641.67 665.49 2631.66 3734.16 8603.36 9312.34 5651.26 1886.84 1683.55 20954.16 15851.41 1328.01 2747.9 5051 5422.01 2223.17 1363.77 1245.15 7927.42 3081.19 1270.17 3360.92 6776.22 874.62 2631.47 7014.23 7610.45 9919.9 2430.05 3274.89 1111.94 4498.96 7484.04 6921.23 10206.35 4950.07 4862.17 4430.04 6258.56 13939 774.16 3886.97 3935.38 5783.9 4287.38 3888.91 2155.1 4550.67 4268.16 4332.56 4119.42 4050.58 3721.14 (E)-2-[[(E)-2-[[(2S)-1-[(3R,4S,7S,10S,11S)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid 5904.24 3367.97 1027.74 4385.93 2486.63 12570.87 3877.08 5004.1 3097.98 1544.01 1247.22 1402.92 1040.1 1057.31 909.56 1008.98 4603.02 4633.83 6140.99 3681.43 804.07 4291.08 554.51 6412.67 4561.19 3856.91 1042.42 1287.78 4611.74 1457.74 2331.14 3195.3 1282.72 7828.58 8578.29 4363.01 8940.03 2858 10917.59 8013.06 2058 7990.55 8110.11 2552.74 7207.59 10318.27 4529.16 7165.61 6371.36 1930.64 7471.87 5466.1 6703.67 5171.29 3973.93 6038.92 2871.97 3630.34 6044.38 2949.72 5143.72 4997.64 3444.46 10091.36 5262.88 9958.09 4353.41 3090.85 3499.58 12115.26 1250.56 10994.6 5313.5 5611.21 5672.24 5512.53 5577.51 6036.93 5194.82 5092.97 5201.82 5392.27 3544.83 5570.67 Ternatin heptapeptide 589.42 310.74 306.5 1713.15 5036.3 2363.99 8679.17 1147.72 622.29 1018.58 313.84 417.84 4487.2 452.17 657.58 1738.8 656.39 494.55 1189.95 978.54 418.47 406.73 484.41 577.55 434.7 556.22 368.52 357.14 831.38 594.89 375.52 848.46 502.47 1096.52 540.14 363.24 374.77 226.96 465.41 436.04 925.69 694.72 338.4 673.76 422.73 648.74 582.93 462.07 539.62 713.84 204.58 360.98 544.9 560.74 2447.74 332.08 1897.53 249.01 580.81 783.53 245.61 988.26 343.37 446 331.87 900.7 272 181.94 365.83 507.63 480.34 188.54 551.6 494.06 829.26 1621 1733.87 1729.57 1349.46 1597.54 1743.93 1946.05 1987.17 1607.48 Pseudooxynicotine 7714.86 10067.89 1967.99 3443.61 8149.09 2236.86 2254.01 14245.5 8105.1 3461.27 5472.52 11660.63 8561.98 7033.24 7537.38 5380.67 4860.71 9623.48 15396 4544.14 6321.64 2947.95 6587.38 6553.2 8916.39 10708.9 9624.39 2889.41 7957.87 1105.65 4426.83 7807.04 4658.96 11485.54 5332.02 19652.22 9678.98 6508.94 5087.27 4892.76 2294.21 6737.42 5877.52 3431.13 14247.18 3711.08 6939.28 11585.72 17037.26 8444.53 12266.98 10151.97 18802.85 6767.92 8368.67 8064.85 8252.43 757.19 8532.95 3955.22 16549.41 9969.15 11122.49 7654.41 4039.13 9717.61 5059.37 4582.58 4626.4 16988.73 9901.58 5320.25 5748.73 2133.9 5161.91 7239.76 7173.1 7241.33 7368.49 7258.93 7171.29 7215.24 6992.17 7205.44 D8'-Merulinic acid C 2368.38 3020.71 10383.07 4252.4 2467.82 1497.94 5247.37 3780.88 4709.82 1408.68 703.08 2604.85 617.3 2635.14 1691.75 2605.47 3423.42 2370.56 4957.14 1747.85 4423.55 13414.86 5140.5 3470.18 3627.16 1558.03 702.89 2505.99 6144.58 3284.9 1889.7 2757.08 1604.24 4849.15 2121.08 1452.85 2570.55 1443.71 1980.07 2606.01 1885.16 3234.52 4811.89 2542.36 1195.35 1412.28 2010.57 5183.21 9319.44 1492.62 716.42 5161.76 1680.06 2711.08 4037.65 1817.71 3895.82 5195.61 2300.22 2621.01 926.46 3367.62 5414.24 7577.03 2487.38 2883.9 2376.76 2326.22 2895.88 1586.01 1573.36 848.31 1814.38 3353.6 738.98 2531.1 2437.33 2405.23 2093.26 2352.04 2341.96 2384.42 2365.92 2534.82 8,8-Dimethoxy-2,6-dimethyl-2-octanol 7983.43 8334.08 2897.66 7538.43 5217.87 5494.76 5632.6 12316.57 3197.09 9181.42 11256.3 6978.38 2920.22 6587.17 7154.32 7705.17 5871.68 2320.53 8084.07 3394.5 10156.18 3249.3 6039.67 4482.41 5552.98 8265.91 8654.59 5055.78 5688.52 7637.87 4254.51 4617.19 4698.02 6761.91 4340.61 7564.55 6121.61 6293.07 4443.8 3455.19 7282.87 8786.05 7954.14 6009.67 6461.42 6554.29 5732.07 7013.69 3236.44 1865.92 4739.88 8151.1 9527.4 7358.49 9679.85 6681.28 7163.9 6049.27 8546.97 1667.14 7873.78 8111.51 2974.91 4021.71 6565.22 3454.83 3632.13 6603.38 2134.48 7191.35 8948.04 10042.66 7577.73 3351.26 3638.03 5161.69 5109.09 6453.7 4480.8 4097.22 5978.83 3685.98 7948.66 3986.93 3956.84 3148.99 7741.18 5141.89 5716.19 3481.56 3801.6 6685.44 5299.04 5273.32 5957.11 7889.85 4959.88 2749.5 7513.45 4945.73 6048.34 6447.41 6151.42 6057.9 4857.03 5943.64 5890.91 6219.83 6245.77 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 12792.21 57467.89 30098.09 25759.22 35411.32 102044.09 32395.98 26151.3 32293.01 18925.48 13152.79 22607.78 24783.65 12248.02 60846.75 27696.43 24689.1 37870.65 57333.11 60411.7 21478.39 48302.96 14579.79 38094.61 16025.1 14083.04 19747.94 12350.4 52851.53 48050.8 18508.29 79922.9 41172.56 27052.07 35886.92 27158.69 16718.29 25242.27 15575.13 36586.98 22409.19 20546.57 25492.58 15809.27 16772.21 15146.26 37582.23 127983.11 15872.01 28396.25 8661.4 16764.94 13621.3 23549.22 17163.52 50119.86 25561.65 32434.9 32813.29 69590.35 18415.67 31909.69 20501.16 45545.03 60612.72 23998.31 53642.16 20897.17 21833.86 36517.05 46130 20339.98 19045.74 51759.79 41175.96 33066.09 33066.22 32944.67 33121.34 32943.25 32943.84 32746.9 32996.24 33067.83 3a,7b,12a-Trihydroxyoxocholanyl-Glycine 49724.68 18334.87 48024.16 47537.19 17949.63 12158.51 19659.63 28200.41 44199.53 3657.81 14774.5 6309.69 27260.3 21943.74 16285.68 18349.09 3477.9 50955.59 3177.84 3787.69 3117.76 2800.88 4047.23 36873.34 3931.88 41201.33 2662.01 4652.81 5408.72 13032.96 3707.84 15031.15 1635.32 63045.86 44421.55 42944.54 48570.78 43513.41 67288.13 70739.88 8778.56 88836.07 82908.28 73380.78 43509.87 39111.11 50053.95 72445.95 47918.34 60458.38 41201.17 39970.86 81100.48 74611.37 41748.41 32162.31 37895.49 42286.1 32773.93 5225.49 36238.8 46110.11 31135.87 88720.87 69323.77 23594.58 41740.73 52153.1 56595.38 36844.87 37700.94 69701.86 73480.17 56979.1 71034.3 45957.93 44512.05 46860.1 46593.95 45976.66 48202.13 45915.88 46910.2 46870.06 Colupdox a 2223.36 3891.42 4466.93 4717.66 16953.48 20376.59 2006.47 1601.99 2635.27 2787.83 1366.74 1264.32 10313.18 995.69 16200.49 538.94 2953.24 10767.61 2113.62 4439.02 2158 3365.1 287.19 681.44 2894.49 1572.7 1389.45 1580.13 12538.3 1704.43 1542 3591.13 2190.45 905.51 634.59 580.25 9834.26 11128.23 1848.68 2146.34 3365.65 1235.29 1833.24 2257.53 1635.98 4448.3 1592.29 2391.73 566.21 7847.28 286.1 13401.69 3794.47 9055.65 6240.11 12645.94 7275.37 4544.97 8519.2 17286.62 2305.35 453.41 9867.97 4721.32 290.88 1037.24 286.49 431.36 1763.64 3447.29 457.63 1857.57 797.9 5035.77 3431.27 4365.11 4934.97 4970.14 971.02 5033.22 4582.63 4949.13 4526.12 5043.47 Goyaglycoside a 3322.61 3827.04 2949.89 3271.31 6558.25 5133.19 1884.36 3230.33 1752.6 3001.9 3551.95 4338.81 2541.56 5730.08 3762.2 583.01 2960.67 5016.85 3986.64 13536.2 4728.46 3064.02 3553.27 2454.69 1463.96 4711.21 2991.48 11155.79 1989.64 2839.62 1617.54 5412.79 5530.89 3813.09 2488.3 2460.07 2690.36 3579.58 2458.37 1406.98 5084.24 9198.26 2601.74 2413.61 4014.27 3477.28 3663.7 3408.79 6467.42 6268.11 6208.1 4676.04 2684.04 4286.15 3398.4 3738.99 2580.4 1931.58 2425.17 2159.46 2455.43 1830.01 3816.2 3322.3 2644.24 9224.66 6369.08 4428.7 2389.87 2929.48 2732.78 2678.8 3887.69 5105.04 2158.51 4408.51 4566.54 4325.15 4565.25 4563.42 4586.06 4563.22 4373.97 3395.33 (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one 18944.52 4373.65 6454.68 30272.93 8450.41 15036.76 31744.36 14676.53 11378.41 5599.68 15866.81 4780.37 13758.91 5326.1 7470.9 45093.26 11624.01 5125.16 9883.05 7237.42 11420.3 6158.16 7752.93 8389.79 7507.09 8051.01 16096.21 12865.72 10976.04 17567.03 2147.13 17315.12 6779 14411.3 25807.06 5980.27 5078.16 9566.7 4609.4 13769.96 16678.14 20392.7 9089 3040.5 9328.92 130167.5 6910.15 8211.51 8498.12 12735.54 10867.78 9351.93 12290.55 13308.5 8992.25 7326.66 4479.81 2710.61 4696.1 2645.11 10765.33 11955.08 2773.26 11068.22 13623.17 19142.29 7883.99 12516.97 12779.62 11139.26 14468.04 14033.57 8240.35 21811.24 15447.95 14797.33 14796.75 14632.56 14798.82 14744.28 14743.21 14705.11 14788.16 14703.75 3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione 4609.77 9222.37 791.45 5910.29 8809.98 11665.3 4543.71 6269.44 4625.85 4829.25 7349.3 9142.38 10688.65 5164.02 5928.47 1974.23 5774.94 5603.61 8031.7 7933.47 13307.15 8396.95 7453.93 913.96 4201 6676.35 4530.56 1238.97 6519.36 5642.12 8977.73 3339.73 9098.35 7696 6516.28 7059.14 6874.33 7329.23 6051.04 4947.49 10151.69 10206.11 6216.16 4979.05 8818.87 10982.27 5802 6783.34 5195.37 2178.48 3498.84 1805.93 2252.43 3140.77 2907.45 4044.3 3583.39 2044.09 2945.96 3092.86 2291 2313.68 4325.99 3914.62 4206.61 5611.3 8197.01 3691.15 4034.97 3913.43 5203.65 4629.36 2278.21 12662.68 3261.23 8713.66 19384.65 8292.61 7793.92 7506.2 7891.39 8222.18 6944.83 7966.63 7008.1 10095.65 7166.51 7642.59 7664.65 7915.82 9299.22 8259.78 8779.54 7193.74 7560.46 7844.82 7426.26 7656.84 7196.14 8472.51 5267.26 4451.71 5043.56 5387.81 5254.87 5330.97 5668.06 5287.36 5309.82 cis-1,2-Dihydro-3-ethylcatechol 2459.32 2463.42 2574.03 2677.29 1372.1 1418.64 238.91 4216.82 1135.71 385.76 4626.87 2053.33 1957.03 2234.01 1970.69 2577.69 1748.58 2743.61 2454.5 2364.94 3752.88 2276.58 2110.67 2135.83 2379.5 2578.12 2630.36 2243.34 2112.88 1994.52 1523.42 2416.92 2377.8 3235.15 2348.1 3397.92 3078.82 2294.89 2686.44 2556.69 1962.28 2443.75 2660.03 2720.08 1650.81 2072.36 2180.46 2564.01 2378.74 2151.74 2347.22 2382.1 2881.84 2021.9 2413.47 2367.99 2889.35 2703.41 3204.12 2546.01 2466.81 2293.2 2858.62 2401.28 2062.82 2191.53 1769.95 2824.12 2597.05 2554.1 2488.26 3158.25 2865.15 2893.44 2277.86 7331.9 14621.65 6875.13 7444.03 6806.24 6869.0 6427.76 15791.64 6733.18 3408.44 7837.5 6860.13 6514.89 6796.54 6755.81 6283.66 7021.3 6679.37 9626.14 6803.18 7518.58 6943.8 7071.55 7165.69 6876.38 5622.8 5659.87 6081.35 5252.36 5383.43 6095.9 5996.46 6018.29 6569.55 Kanokoside C 234.36 1397.06 74.05 108.82 1562.12 95178 451.73 592.88 5847.46 4068.46 110.44 2307.79 59.79 3337.99 215.05 313.5 1391.72 580.43 237.5 222.35 196.47 2906.25 240.5 62.58 770.39 46200.85 344.3 681.48 3432.89 177.29 751.74 135.38 6016.71 358.89 455.22 390.59 634.4 37362.32 643.02 343.95 530.35 2568.3 309.47 67.69 771.24 2476.99 1000.76 741.38 206.96 424.76 1270.97 833.47 185.44 371.47 1029.21 172.28 135.65 331.84 627.03 71078.81 544.08 367.48 1063.93 328.47 304.58 1161.08 491.08 112.98 211.31 361.48 1558.12 3155.91 941.9 231.48 100.17 5398.93 5402.73 5144.54 5104.63 5416.94 5223.97 5092.85 5379.46 5253 (22E,24R)-Stigmasta-4,22-diene-3,6-dione 4856.71 16695.96 10620.55 7288.37 2108.81 3619.3 12354.79 16829.46 11119.26 15940.51 5499.37 14235.89 3768.55 16111.15 5431.46 19419.8 3900.22 954.36 25006.83 6752.52 13525.42 5198.82 11954.09 4277.28 13441.01 7559.39 2206.35 18574.32 17708.54 22784.08 5077.76 2456.31 4469.12 17729 16701.44 8055.5 8636.03 6480.29 14554.67 12427.61 5526.07 14527.02 21096.83 14445.97 10736.56 10124.75 18924.2 21378.52 16389.49 13962.09 6349.32 10028.41 21315.77 10538.13 9143.31 8219.82 12839.72 3089.52 7483.1 2295.49 8372.59 5252.58 4862.64 20970.59 6985.8 14695.28 10701.08 14341.86 7788.73 8187.73 6827.58 15365.12 17277.84 11109.47 21134.53 10899.06 10121.48 10686.68 10582.71 10365.83 10261.27 10248.06 10265.16 10167.85 Aklavinone 18498.7 8491.79 1927.25 2188.75 17306.79 9033.77 6988.09 23018.76 26130.69 1263.43 7148.29 9859.1 794.08 1307.56 16910.39 12241.39 7388.99 17834.2 8273.93 28466.63 19255.13 3078.48 420.83 3284.73 21968.03 12612.15 4478.61 9703.13 22219.49 11522.96 23382.23 10271.79 10649.88 2233.06 5876.45 17022.61 19644.64 7217.88 4711.77 10214.14 21154.29 15784.64 6880.79 5915.17 15594.3 4958.05 24555.06 5190.19 12145.1 15979.37 12581.18 7192.65 630.36 2228.12 13447.62 8115.92 420.92 2782.43 15057.82 2163.47 430.35 687.52 8284.87 6510.62 10686.25 15511.17 14626.09 7346.64 12694.03 19663.97 20814.65 10068.75 16492.29 569.58 518.09 13176.11 13041.08 13033.4 13088.5 13034.06 13174.65 13061.38 13118.01 13178.68 N-(Carboxymethyl)-D-alanine 743.6 653.23 336.58 1206.23 4758.42 4465.75 896.52 1424.89 1777.67 947.02 878.76 2155.69 3942.37 1106.59 1138.72 4182.59 719.02 3087.99 3407.48 3543.35 1666.85 3624.47 656.42 811.79 405.96 2348.85 416.45 754.87 1909.19 349.25 1699.09 4579.45 313.91 1003.58 439.93 1257.36 980.84 561.87 608.45 899.19 3208.16 3756.62 491.82 525.68 3157.65 1786.47 867.95 429.33 1155.26 4824.83 457.11 401.6 807.68 1403.62 1093.9 355.98 672.23 395.07 548.88 814.96 347.84 502.43 950.31 371 505.59 2071.8 3581.94 926.34 857.68 2667.19 1119.05 854.25 663.96 644.38 1242.58 1619.21 1681.79 1601.35 1492.8 1703.22 1373.88 1036.82 1490.88 1735.12 2,4,12-Octadecatrienoic acid isobutylamide 9055.08 2099.87 1933.4 15136.18 325.87 12477.08 647.61 1487.51 712.66 432.42 3449.36 190.27 5566.34 170.27 2301.75 5183.67 1268.66 2915.72 2955.79 393.08 159.88 143.53 241.98 140.68 206.76 1597.46 3307.95 2338.26 194.98 6567.66 146.02 40100.85 243.33 3578.19 11490.29 435.07 1441.67 2448.86 1477.21 3711.03 9185.89 19880.01 430.1 1060.25 1308.52 32132.52 782.68 784.1 974.17 6905.57 6275.77 791.36 1094.19 5136.06 3773.52 516.56 1904.75 595.61 565.28 1098.54 435.17 1900.34 464.22 1996.49 3104.9 14976.84 563.51 534.17 1831.01 355.33 403.07 729.56 1508.81 11718.97 5075.88 6619.4 6779.63 6808.34 6709.91 6747.71 6779.63 6783.03 6710.83 6707.54 Knipholone 8637.99 5353.61 2256.96 1004.59 3184.89 3172.62 4339 10773.91 16631.55 4860.53 3047.57 9783.77 1590.81 3495.29 10666.42 7542.77 3524.72 3554.91 3484.94 15482.18 10518.24 2874.96 5586.13 6118.65 2495.12 6111.01 3093.31 4562.26 4683 3925.69 10698.03 9070.12 2486.46 698.23 6323.85 2901.47 6868.3 1348.75 1024.71 3696.58 1886.35 978.5 2257.73 6908.86 4330.21 3048.19 3817.97 1617.87 3123.94 7630.9 4947.01 4949.33 4126.43 2044.69 999.84 1490.35 2397.85 1675.22 2296.54 2941.1 922.36 1035.24 2887.35 2674.15 1059.29 2915.94 2831.04 7947.14 2877.25 2477.05 7175.75 19017.56 3542.75 2958.88 2273.76 3182.77 2191.12 2401.65 2757.44 2943.75 2410.01 2243.31 2389.41 2643.91 N-Nitroethylenediamine 325189.85 319549 351078.82 317792.74 346891.55 235988.64 171465.12 264611.95 397284.01 351314.77 104605.3 287685.34 325077.18 344927.67 336707.25 321907.61 298449.19 333538.36 357190.74 303304.87 3519.31 238394.82 294443.99 327364.04 332409 349825.48 351955.71 337944.92 368364.59 284836.68 287937.08 328721.53 286837.24 354169.63 323738.2 360756.49 333249.99 179544.24 326263.99 273096.92 257826.1 282825.32 344528.64 298395.82 338291.84 247101.08 342765.93 327337.77 224166.85 270346.28 251974 281241.03 305910.32 247644.62 162136.1 305417.54 298419.24 288436.25 298494.5 199544.41 280820.46 273157.1 289096.45 293333.23 308834.24 301496.32 264230.62 342585.19 305790.23 331025.48 281154.34 278743.57 185435.65 228702.24 274077.09 294063.02 294331.07 294325.72 295670.04 294325.97 294326.49 294338.9 296975.17 295776.23 Rimocidin 912.46 218.29 6493.23 5199.9 3488.8 7701.1 602.18 271.04 1552.75 1588.61 2197.79 3265.19 5914.25 1854.35 2023.66 8961.55 5154.72 1433.45 234.22 2100.85 2309.96 981.24 826.25 3839.47 479.29 865.02 2245.13 2187.63 854.2 1161.81 1613.39 4361.95 544.98 3525.85 14791.61 572.52 2941.52 7258.28 2869.23 6217.67 4621.97 3376.71 7661.5 3978.49 2772.17 10091.49 1459.98 698.25 539.01 20239.95 1159.71 2577.64 3471.91 18546.14 2011.28 5135.45 26364.62 7540.12 407.95 15771.29 8902.65 7814.54 1311.38 18809.72 2969.09 2120.12 5035.24 3375.12 3448.79 768.16 3689.26 885.16 5838.26 5856.25 10816.08 8842.43 8814.89 8816.06 8817.62 8661.77 8813.24 8662.5 8707.07 8774.41 Benzyl Violet 4B 365.01 966.37 330.78 3620.65 661.96 39032.02 4927.23 289.01 1313.52 4724.52 456.35 602.52 206.34 208.24 950.02 824.04 215.88 492.13 331.55 724.42 830.5 7254.47 242 182.71 719.51 6702.27 351.91 872.34 245.96 212.62 757.92 406.31 339.17 456.04 198.16 922.15 842.72 9165.16 701.09 221.07 565.87 3171.25 345.08 554.55 636.31 2930.37 488.07 164.36 569.68 336.91 1127.3 264.55 593.45 475.3 1339.22 592 292.4 1150.79 1733.4 6697.14 200.21 259.1 973.85 631.09 343.9 994.99 1238.49 285.53 304.76 1086.68 2142.66 4626.03 530.87 884.96 900.39 2248.62 2377.63 592.01 2033.12 2248.07 2242.18 2075.1 2311.49 2052.96 Cis-Zeatin 14981.94 16229.76 8739 10691.15 16147.97 12055.04 11661.2 27340.87 28483.4 11448.7 13900.42 15690.07 8696.53 13581.69 11647.69 17751.38 12721.28 16009.4 17556.93 25493.17 25181.45 9336.81 9659.03 12717.07 16782.61 20347.94 13631.91 12908.41 19066.8 7630.28 22011.47 19083.25 14877.39 13027.31 13082.72 17385.88 19177.63 20286.06 11544.19 9008.87 19037.02 17179.78 11689.84 12071.45 17814.95 11828.57 19338.85 13603.47 13510.78 14361.15 13564.03 13982.8 12928.68 11901.83 9134.42 13398.16 2844.85 7257.19 10593.45 6551.83 9960.48 13515.13 9557.76 11549.05 13055.86 20767.57 22905.66 12475.11 12972.24 24701.2 16401.39 13235.77 13332.06 14568.57 11441.37 15266.82 14988.04 14512.6 15263.61 15277.29 15275.96 15245.57 15261.37 15013.05 3beta,7alpha-Dihydroxy-5beta-cholan-24-oic Acid 858899.84 907243.92 1069054.06 803754.48 987045.98 234317.83 959083.88 1202389.26 1524750.55 1028295.54 891897.43 545369.94 888085.51 787080.06 1023928.86 1037628.57 776498.3 486730.11 1714029.05 894164.46 1102119.19 305258.62 1224078.59 1232596.04 1267446.27 735719.95 1409673.9 842210.56 1107942.17 331983.58 369733.82 1021537.75 744394.73 1228163.74 1074849.23 1399710.94 941060.08 274579.29 971688.7 695343.89 552829.42 1008949.95 1038194.8 563134.67 1019292.62 754865.46 1175624.74 1126188.52 1540159.72 1122901.58 900717.64 924867.4 962706.85 982885.17 1107856.63 946977.83 835022.66 705775.27 748894.8 266381.32 995270.21 792453.76 1378628.88 1076669.8 667608.28 969890.88 635436.99 953464.37 557769.77 1358062.47 1202319.91 1075572.26 791085.04 779725.54 1056288.91 1004653.03 1008422.58 1005948.47 1003880.89 1010310.04 1014393.79 990335.47 1007841.63 1003627.91 SB 221284 161.36 386.22 447.1 687.06 493.07 592.35 502.29 324.26 120.41 350.63 279.62 325.61 245.13 141.07 308.08 345.58 194.89 125 241.12 132.52 254.96 249.52 266.77 178.86 192.99 322.34 311.76 171.08 219.81 303.74 140.45 132.38 222.07 1595.35 255.1 153.29 536.79 993.42 220.21 153.62 579.33 187.48 373.93 393.82 673.64 629.14 634.47 188.87 375.88 792.51 262.84 443.72 183.88 183.11 332.18 159.63 2363.42 1628.25 127.56 624.55 661.53 416.9 187.85 329.24 632.12 336.12 333.14 133.7 395.47 134.9 209.42 610.95 268.05 423.13 129.4 1414.78 1344.16 1346.77 1393.71 1604.38 1294.56 1484.41 1213.43 1351.6 Azaspiracid 4 10836.49 936.88 9858.05 12523.68 11552.22 14762.05 18240.83 15637.61 20676.61 18556.71 4930.47 3429.03 447.71 561.65 892.19 690.42 12538.13 12246.04 9606.93 554.21 14806.61 12098.06 9230.85 6683.81 7212.4 595.71 10482.09 479.85 3960.65 10135.9 10079.87 12517.6 455.25 22402.3 13397.72 9309.43 20318.27 18820.09 15631.3 10897.62 23221.84 21092.14 9766 10106.41 10678.43 18640.55 1938.85 7293.23 5936.4 7971.95 16137.54 20971.64 11762.16 15205.85 13004.58 19311.24 12181.59 10182.91 16485.25 16945.74 10879.09 16014.65 13766.08 14853.59 4968.5 17625.91 24765.02 7295.02 10531.27 20481.39 19209.65 19300.07 14175.72 15736.98 11862.7 17296.98 17300.87 17717.19 16929.62 17136.69 16894.69 16900.58 16986.01 17334.98 Benzoylmalic acid 3067.76 3093.83 1850.58 3655.93 10567.71 4087.22 1880.42 2832.56 4270.39 4573.47 1880.08 4359.33 4239.42 3172.5 5470.74 3040.62 3864.38 3117.56 4864.17 1677.6 1787.56 1184.77 3766.31 3936.32 3070.21 4007.01 4414.07 1796.41 3577.26 1683.36 1677.16 4651.2 3742.41 2484.77 3131 3057.44 3495.01 2051.63 1727.71 2890.74 1357.05 2023.31 3247.23 1914.43 1595.93 2800.49 1000.95 3987.38 3421.2 5161.48 3372.12 3139.73 3999 5170.6 3328.5 3723.67 3024.24 3020.37 3782.77 3376.94 2883.52 2649.57 2006.84 1559.61 2120.38 5500.22 629.48 3370.59 2701.65 821.81 3216.66 1475.77 2219.37 2238.81 1247.24 6294.99 6285.24 8827.89 9011.8 12270.55 8825.49 8881.7 6846.59 7748.73 5401.71 5230.71 6020.19 5046.75 7567.97 5924.74 5508.41 8713.43 8333.94 5408.91 12988.68 7206.83 7409.42 10162.82 8940.75 9388.04 3356.5 3293.02 3403.74 3394.2 3301.16 3359.5 3327.88 3513.67 3293.43 Amphibine B 7444.08 9654.92 3622.87 4199.62 8805.55 803.17 2843.38 1106.16 12097.29 7775.93 1164.92 686.13 2377.79 1565.63 641.37 2146.16 1263.69 1238.34 6242.7 1739.01 10723.85 644.07 7746.48 4071.83 1741.84 747.44 875.85 1006.12 736.68 529.94 1530.92 3301.59 643.59 10088.13 4622.26 2718.12 8727.07 7062.31 3664.77 3099.12 18626.46 10598.52 3785.49 2892.36 11407.76 6615.22 2636.71 1196.42 2282.09 1891.11 5979 9170.37 4070.91 5452.79 5186.85 9502.45 3670.41 3327.54 7026.2 7821.07 3258.6 4025.55 6073.57 5871.73 2824.17 10149.72 14590.47 6761.06 5692.08 8924.25 10817.64 8656.89 5911.76 6487.1 6276.73 6761.26 7055.9 6692.85 7086.86 6721.23 6767.17 6707 7025.9 7199.69 Leucomycin V 314.67 455.09 916.23 179.28 5045.3 2791.82 1308.42 489.97 1137.75 301.1 978.91 157.62 327.3 1098.89 1139.8 587.16 651.99 536.63 332.07 2002.97 1342.31 1100.39 847.78 427.82 1061.32 1308.57 218.38 287.41 1591.58 439.11 1214.95 1843.83 487.64 912.23 492.18 922.6 1170.46 1255.56 333.22 783.44 3920.98 1577.01 823.92 433.52 1296.55 5185.01 702.73 257.1 786.3 1352.94 1496.33 355.59 598.91 1395.87 1504.82 863.17 714.8 310.58 1215.66 1364.13 261.64 1686.88 908.3 355.82 156.54 431.97 273.07 497.92 279.04 1069.29 238.12 871.79 725.33 874.13 1334.08 3132.49 3114.66 2982.08 3088.05 2945.68 3453.93 2950.17 2981.04 3136.47 Psychosine 15554.48 3981.28 3180.28 13339.23 9208.93 13281.57 10662.73 8027.47 6016.01 4312.86 2994.23 2255.28 15506.26 9675.89 2790.71 18590.7 5637.15 10195.65 3075.56 7799.15 8695.69 6994.79 3884.52 3878.82 3081.05 1998.85 5436.7 3766.56 9543.71 6838.94 13201.03 58706.46 9140.81 4598.01 2304.64 4245.47 7275.8 8113.12 1420.4 5116.16 6643.36 25533.55 4052.54 4197.06 3565.33 7561.7 4305.97 3332.79 3390.69 28952.25 6016.55 4866.93 2447.45 3567.63 5692.2 4797.69 1848.35 1504.05 4193.15 6340.39 3360.67 1546.74 3943.47 1604.42 3038.37 8752.73 3651.46 5008.43 4367.28 5311.5 7614.12 4162.98 4770.61 7458.26 2184.75 9623.2 9354.03 9328.93 11049.64 9209.04 9840.13 9695.08 8582.77 9354.16 trans-Aconitic acid 146.9 644.9 1006.24 410.44 1805.99 907.16 1557.45 1986.81 596.46 1445.05 1267.75 1500.27 426.7 494.36 441.1 5957.7 676.8 293.76 158.4 132.39 5634.87 170.03 695.13 124.36 2512.59 147.45 2842.62 142.15 1198.38 149.1 311.85 1317.73 156.37 1043.32 193.23 223.33 996.16 215.38 1854.66 196.9 221.09 2587.62 1512.75 1118.59 238.66 1314.23 155.72 2434.45 1857.39 265.5 2274.67 3691.66 1581.18 228.56 2388.53 564.98 1388.67 2622.27 10310.98 9892.23 1861.02 2053.96 3133.56 224.32 226.05 147.01 7011.53 1262.27 1413.54 837.99 150.56 283.44 271.53 134.75 588.44 4334.57 4359.02 4317.04 4335.58 4366.88 4424.54 4378.53 4364.57 4379 6-Methoxyluteolin 7-rhamnoside 833.4 822.01 240.09 476.04 518.36 619.36 186.38 717.23 503.61 511.65 523.83 500.24 449.39 559.44 628.41 170.17 393.63 676.3 472.65 630.84 717.88 427.74 528.58 526.93 553.77 768.03 494.21 636.14 691.97 594.2 1359.71 867.48 580.63 635.76 488.63 735.46 559.37 791.34 566.06 495.8 1108.57 873.58 534.18 502.76 644.02 149.25 502.6 463.8 417.42 1271.52 893.76 572.29 500.24 479.78 573.74 341.45 237.24 426.71 493.33 477.29 477.43 478.7 493.21 405.65 554.34 417.18 716.05 535.42 665 473.18 696.6 519.58 523.24 336.99 336.79 7332.64 7972.88 8162.54 8108.77 8139.19 8052.78 8115.1 8471.76 7996.66 Leucomycin A13 8110.36 9403.47 3509.19 6194.01 371.13 1486.63 31211.94 16423.35 403.57 431.51 6420.35 694.59 1283.08 928.16 889.61 565.03 577.69 10751.54 1506.25 1692.63 420.21 397.6 8112.96 417.71 876.08 884.72 401.32 417.65 4416.31 3773.37 746.53 2992.47 558.79 31492.44 20269.8 11143.35 24356.37 25160.72 20540.25 15373.72 39991.29 26135.65 15047.85 13645.4 24341.43 21206.1 10227.65 9133.22 7264.02 8768.11 19626.46 26097.66 14593.49 19180.61 17116.44 25612.67 16391.66 12795.69 20003.5 22586.52 16621.23 20248.21 23629.79 18082.56 11227.81 25098.07 35779.54 11949.32 14823.19 23935.95 23271.88 29161.65 17743.66 20047.86 17913.56 23569.6 23423.57 23070.04 23102.56 23424.19 23053.78 23439.27 23410.45 22679.36 N-Acetyl-D-Galactosamine 1108.89 1778.2 1280.18 1070.85 1762.48 4665.13 1878.01 500.68 2747.11 3481.97 3241.55 2710.4 2261.45 1912.41 1964.32 1788.31 4049.93 2607.05 4246.05 1834.13 1517.39 1040.07 922.97 1822.28 1853.96 2470.11 1890.81 2262.88 3241.47 2593.11 4535.99 2237.65 808.25 688.09 4315.98 525.48 1826.5 4230.47 595.56 5446.63 3389.61 4927.11 1890.54 1709.21 424.63 2177.97 1228.39 3645.79 3280.08 2913.4 2018.68 945.11 2013.6 821.57 1362.52 573.74 1846.86 5504.48 639.94 710.38 744.32 1261.41 1314.49 3000.96 3493.08 4035.54 786.6 1298.13 452.95 983.36 1218.32 2544.9 1527.17 1466.55 833.54 21997.97 12569.77 27214.1 17601.02 22374.22 16874.59 29605.96 19245.26 12517.38 20798.31 16998.25 10087.08 41127.47 18936.52 12424.25 13316.09 17656.04 26453.04 21985.42 13712.83 43758.38 13219.47 16998.18 12171.64 16641.46 2261.05 2880.43 2187.5 2535.78 2245.31 2358.36 2580.18 2308.75 2726.47 Carnitine C16-OH 4680.46 5986.86 1156.11 4022.29 2306.96 2440.69 6139.9 2297.11 2250.01 2933.41 2948.53 8797.21 13834.78 28007.77 5993.4 3065.6 8697.95 14938.52 17474.3 15265.7 461.02 788.95 2498.24 2796.04 983.44 1056.46 2798.63 3356.71 12400.16 11105.03 16151.31 46563.32 1281.76 4606.78 3281.42 8680.99 516.42 1504.45 2286.06 2385.23 22532.08 7616.63 2194.36 2798.17 27562.89 8245.96 9883.81 8894.74 16591.7 30515.45 10440.71 14186.94 1113.51 11901.4 4293.29 9629.51 480.99 2342.22 5735.35 555.11 1281.66 2429.76 5367.88 1764.3 4544.81 6171.07 18920.1 2917.75 2801.53 5412.67 1538.34 1736.29 2783.77 4231.49 2905.57 9416.54 9015.25 9486.63 9198.61 9419.69 9003.26 9476.16 9654.08 8983.91 Etamiphylline 4886.46 2809.2 3091.04 2901.55 5945.06 15521.52 3809.07 6356.47 8419.67 3639.17 3228.85 1764.18 3515.32 3381.53 6672.74 5413.25 3751.18 5224.23 1516.94 8164.25 4020.14 2871.97 1424.51 2168.05 9154.13 7921.67 1634.25 4246.44 7511.79 1699.96 4143.17 1750.54 3378.91 4053.6 3675.84 1833.75 6711.79 6656.61 2256.84 2473.89 9712.63 6807.59 5423.8 2434.47 8608.6 2900.4 6481.19 3555.57 3858.55 3287.52 4539.12 6768.99 4826.28 9650.62 4390.29 6286.85 3525.93 2058.45 6918.77 5244.01 3388.91 1078.16 2648.97 3945.82 2200.37 4281.09 8060.21 3877.22 3427.16 4112.33 7275.59 658.6 2601.21 5945.41 3691.38 3970.85 4333.9 4113.27 4337.22 4493.64 2781.19 4334.29 4045.83 4341.38 trans-Geranylgeranylbixin 1448.45 506.01 285 2624.15 1319.85 992.48 713.1 1826.15 620.09 287.91 1554.14 739.77 617.03 350.22 1010.13 384.92 292.87 626.65 2120.53 1868.87 1398.27 352.78 932.1 1036.51 743.63 1255.31 739.28 718.46 623.24 805.33 362.96 1803.14 290.72 858.41 946.71 1175.77 1382.26 256.75 1165.84 858.42 848.55 709.93 837.34 873.42 1004.89 1253.34 1018 667.45 3591.11 531.72 5026.16 3796.11 2137.71 615.68 2758.46 1093.93 1352.35 3045.86 726.49 1516.28 1902.77 747.69 2532.91 1071.86 1453.92 1539.29 2775.2 1058.7 311.24 2217.53 1660.18 1052.09 2318.02 12182.7 2643.68 2160.84 2484.25 2590.6 2588.18 2518.04 2191.33 2596.26 1711.6 1761.1 1,2-Benzoquinone 790.01 1153.57 1276.51 319.95 1200.05 554.88 2105.08 2466.1 2809.07 1799.03 2660.7 1567.14 392.88 2361.01 3828.96 3435.11 4571.52 1803.99 956.96 4369.29 2235.05 1683.82 1197.54 1465.82 728.52 1751.34 1523.58 812.46 1305.41 1497.5 1273.69 740.12 6322.45 1043.79 1965.46 553.13 3431.34 458.55 865.36 1317.56 1272.17 1558.84 4107.7 928.34 1578.05 955.1 1381.33 7756.94 942.51 2227.17 759.16 1468.88 1363.37 2030.15 1065.89 1123.03 1703.64 1872.28 2340.13 1388.26 2125.34 868.34 2168.54 3092.48 3350.72 1795.57 3061.1 730.06 2321.75 2733.64 2649.06 10152.83 4334.75 2099.55 2495.42 3136.52 3025.75 2920.74 2175.88 2684.73 2169.8 2571.58 2565.41 3567.32 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene 3320.54 5739.46 1401.51 1525.94 2353.43 9326.14 7097.45 450.44 812.96 3373.8 2806.55 1097.94 5426.71 3484.13 11229.39 7789.37 2888.54 22024.67 7427.44 14451.66 975.48 3437 1447.5 757.97 640.72 1107.22 669.97 2581.48 5161.8 794.57 12562.21 20413.14 3492.32 2817.92 1572.18 4780.57 3902.62 2320.06 1629.46 1600.32 14183.08 8318.52 1663.27 2169.28 15707.57 2389.08 3991.95 1200.12 2360.63 15553.83 2946.16 3904.27 800.32 5883.78 5747.26 9113.12 1293.05 1334.52 645.85 1264.9 755.71 1250.8 3541.44 2143.48 1919.23 7774.55 20871.54 1363.21 822.73 1751.86 1945.55 1362.7 511.66 4268.76 1097.7 3404.67 3339.53 3292.83 2642.81 3418.82 3277.23 3405.36 3162.15 3207.93 Theasapogenol E 1240.62 42346.78 9987.83 929.26 43956.87 2807.14 44745.32 63924.66 84113.49 57839.8 61344.49 4341.58 21391.72 24501.29 69106.98 53270.19 29078.58 643.82 36220.63 64681.53 1284.3 16928.01 32241.97 2218.41 51190.3 1030.91 30822.25 1029.88 70371.77 27026.31 61844.76 1514.3 62010.61 13572.6 13348.66 43518.97 26025.22 13495.73 45554.48 24790.58 81538.91 77074.31 22050.86 29435.24 60164.8 14073.65 93862.88 55582.3 62724.88 86990.4 68048.27 63730.31 24705.72 77452.15 60377.52 53191.66 8486.75 6627.44 48090.44 10634.98 16938.39 10472.74 62272.87 11124.47 15500.97 57823.35 66168.73 33923.33 21662.62 70819.01 68565.28 11881.49 55248.89 12059.7 23713.95 44902.69 25141.88 44842.35 42285.21 43937.31 43862.29 44915.55 42435.63 43718.48 1,3,5-Triphenylcyclohexane 14294.85 13529.58 8952.32 4480.73 4636.69 11771.81 10862.73 18263.87 10535.53 15100.35 15817.66 8633.31 4322.36 15875.01 10207.5 4693.66 11384.44 11933.84 7738.96 8596.82 15014.25 12176.1 11092.49 13157.69 11888.2 12853.01 13172.51 14630.32 17641.69 14442.37 10127.1 7749.67 10670.56 13259.58 12378.24 13666.46 12791.57 11360.17 14405.03 13591.26 5479.94 9341.51 12930.51 13285.73 11146.69 8521.46 11023.73 12023.03 11924.13 6376.18 11073.55 13105.75 12805.53 10749.25 13449.44 8955.97 10381.98 14378.72 13776.42 6086.78 15300.52 17920.67 12380.03 12039.79 14013.48 17838.83 15157.02 12535.84 11864.48 14623.43 10728.37 11199.6 11489.85 13195.2 7609.16 9220.79 9204.53 9169.29 9540.52 9788.17 9232.29 10099.9 9463.82 9103.6 Kukoamine A 2650.83 4361.03 2911.15 6675.66 6072.44 3647.94 2644.69 3519.47 7394.2 2197.86 6315.77 5020.5 7727.12 5537.86 3280.6 5936.69 4291.96 1582.31 9432.5 4531.81 3869.49 423.1 5095.62 4866.92 8740.34 726.57 3867.61 3884.27 5340.23 5632.91 4171.02 13203.29 3039.69 7009.86 6081.55 3008.45 3945.78 4690.33 6012.56 5407.53 4063.22 3722.46 8563.96 5086.49 2245.5 4938.38 7573.69 6762.07 3592.91 6677.62 2401.69 944.29 5510 7662.86 2880.22 1566.98 4095.06 1350.37 2765.4 2993.95 3430.03 4710.84 2654.1 6451.87 3553.74 2861.2 5883.79 5282.87 3175.07 3591.96 2654.98 4062.73 7106.6 5894.77 6072.26 6972.64 6678.24 7002.76 7108.56 6676.8 5667.55 6730.13 7019.62 7021.93 Allyl cyclohexanebutyrate 13348.27 3075.96 4523.15 2509.27 8856.02 4215.68 3797.17 3107.78 2352.41 3276.12 3135.88 1984.6 3005.83 4995.27 2353.29 3946.93 3422.3 7701.27 2174.84 12494.39 2468.07 1964.65 1115.27 3322.76 4427.67 1354.3 2251.16 2132.7 1828.08 17552.87 3507.98 2721.49 3103.07 4487.03 4965.61 3863.34 3498.81 2589.93 2346.09 6640.53 12239.66 2344.53 3179.94 3744.97 3044.03 2503.03 7919.95 2390.93 14504.92 7235.41 3100.38 2098.48 2941.9 4096.57 3325.44 4231.02 2675.84 3428.66 2692.07 4600.61 4608.46 4703.28 1624.02 2354.75 1343.21 4009.9 3145.23 2089.95 4819.59 4888.8 2132.89 2475.86 1408.57 4351.34 5756.05 6871.86 6685.22 6891.9 6801.25 6872.27 6801.68 7070.34 6890.93 6894.04 Methyl 3-hydroxyhexadecanoate 2497.29 3235.23 3516.53 3904.12 1766.75 5171.59 1448.94 2545.73 2633.66 1059.79 1687.11 1486.18 7837.62 3923.13 1019.31 3699.22 3595.88 3256.82 2670.37 5215.9 3816.91 2914.15 2392.37 2312.3 2921.67 3481.59 2404.26 2020.25 3130.91 2335.94 2842.83 7009.18 1885.5 458.55 1752.78 4239.85 1901.72 2616.3 1248.69 1375.07 4529.45 11402.52 1777.34 2527.97 5889.84 4682.07 5079.21 2491.31 2600.96 2262.68 3834.23 3470.61 1510.97 4671.47 5759.03 3442.78 1122.59 966.69 2659.82 1553.47 5807.48 1553.88 3124.76 1363.83 1203 8649.85 5326.07 6388.24 8391.97 1612.73 1746.17 1324.71 1537.16 944.99 3304.1 2846.7 2978.56 2067.11 3123.13 2891.99 2985.72 2857.82 2858.88 2976.81 Protoveratrine B 1193.35 934.3 360.52 421.74 985.59 1918.75 720.73 2190.37 1057.47 1427.3 700.42 1087.97 744.79 1734.83 1000.09 1121.27 590.19 1097.33 919.68 2437.44 1393.95 596.45 391.83 547.77 1509.1 465.1 457.12 270.71 1849.92 1165.23 1470.49 740.25 752.78 819.96 1058.57 2399.03 2262.68 699.34 285.44 939.38 415.45 4855.7 615.93 363.87 1890.22 1001.88 1341.8 1428.99 1499.81 4297.15 2048 564.11 323.35 993.46 2468.79 1569.22 756.35 684.15 1913.71 1909.69 992.87 1152.87 1476.43 789.54 967.84 1708.72 1796.07 1016.16 423.88 2303.81 318.47 1422.32 1275.98 1369.25 861.55 1908.68 2766.09 2366.43 2426.39 1238.08 2405.93 2065.24 2416.29 2190.32 Deoxyguanosine 5'-monophosphate(dGMP) 681.21 1296.88 1817.42 4448.65 1727.22 2192.04 9234.37 455.13 2287.46 450.61 1637.8 3674.77 949.57 908.77 1222.56 3802.67 1628.74 949.73 2855.15 1426.53 4281.69 896.81 502.99 2037.55 1985.75 761.26 680.3 2095.82 1306.48 1973.28 1280.14 3233.74 646.19 3255.97 2921.35 613.11 1103.72 737.19 2669.67 1465.48 1511.33 1309.66 454.19 799.55 1074.38 4976.37 1617.48 499.6 2133.07 2560.98 1495.07 1194.71 2745.32 5899.35 2720.22 1111.63 398.28 1523.49 469.4 4393.35 1162.9 886.36 1500.32 963.31 977.68 3213.08 2919.83 2383.89 3665.09 1041.85 1115.15 1613.07 2863.14 4919.07 6564.75 4466.2 6057.84 8742.93 2238.69 1874.25 5583.3 6352.01 803.19 17117.66 10690.93 20182.52 67241.93 4567.81 844.23 23683.66 1217.12 9016.5 7748.73 1335.35 6347.11 12273.19 16988.55 3887.75 19745.13 1724.62 2180.22 2325.17 2269.44 2166.76 1618.88 2208.36 2174.3 2271.81 2278.25 Methyl glycyrrhetate 13701.03 5278.34 4639.68 4096.74 14934.84 9723.34 6701.38 11068.01 6834.07 5614.46 5843.46 7604.27 11260.86 12484.85 5915.5 10070.36 4165.5 8021.91 12523.31 1949.66 19532 7156.54 4801.57 4540.54 13614.43 7621.88 6741.56 11843.91 19949.61 12994.11 9544.98 1393.69 5277.2 10974.06 5590.27 9534.59 7547.28 5882.43 7401.78 6397.27 10071.11 13668.32 5374.32 5672.72 16420.36 7992.73 14742.11 7918.94 6089.78 12363.98 8592.33 6569.32 8926.58 17366.18 12031.9 6161.32 6047.66 6764.37 5577.13 5289.76 3815.73 4225 6387.35 5795.52 7202.4 15343.3 11030 7915.66 5627.23 7682.28 5799.94 7446.08 7970.25 5431.49 14534.11 8466.23 10959.19 9745.83 8783.45 9040.5 9570.53 8863.07 9653.56 9536.72 Astrasieversianin XVI 4940.34 5632.04 12374.63 10392.65 1850.65 4321.55 13327.23 996.17 5070.92 9438.86 8281.84 6236.57 7979.14 10505.08 506.68 887.82 373.91 922 5314.96 505.91 661.36 2520.13 10682.81 9911.15 1248.26 730.1 6455.02 7011.06 537.17 378.09 1116.66 1833.81 2149.1 21779.49 20091.2 7666.03 5543.68 10778.17 17196.34 14619.95 5434.69 6759.97 18511.07 11873.64 12051.41 18730.68 4408.09 14132.16 12014.19 15874.51 4016.45 6253.96 15938.52 24970.54 4252.33 5862.52 30114.59 19486.68 3727.86 7668.25 17647.48 19233.67 12959.42 24407.25 9774.42 13115.29 10819.1 14333.27 13596.09 8137.46 3181.68 12244.6 17817.95 25193.47 22482.06 7317.5 12703.56 11840.51 11270.41 11798.25 11832.51 10500.98 11280.45 11817.05 Anhydrorhodovibrin 1231.97 2499.1 1827.27 10735.27 4371.23 3622.91 32984.96 1013.42 1884.64 542.43 598.36 1387.44 20465.45 3163.16 2851.5 5294.86 2728.87 4117.15 3532.88 4487.43 3542.98 1966.35 2253.59 272.19 175.84 3323.49 3199.84 168.12 3294.74 2173.94 2766.63 15000.24 2502.06 9731.62 1237.94 766.87 1562.53 2155.17 2919.97 1406.1 5416.51 3693.17 1988.03 878.55 4736.45 70169.68 2291.7 2756.94 1144.76 7540.01 2190.51 639.78 1776.57 4621.62 1919.13 1478.46 1237.43 1252.94 1779.75 1916.3 2721.8 8037.76 1812.24 1054.13 1088.84 1345.78 3357.01 1577.83 1093.88 1761.47 1522.39 2856.08 996.69 15724.34 42398.35 6571.23 6970.74 7137.31 6931.89 7355.88 6750.11 8214.56 6970.84 7078.74 Dalfopristin 1064.79 8851.26 1595.43 11463.79 8686.11 5122.83 23197.86 5710.4 813.99 9284.04 4970.84 1643.12 616.49 1045.85 8745.68 8950.18 7546.05 528.32 1442.19 4434.28 582.71 1989.66 5665.85 6976.56 1372.84 2045.13 1341.9 667.47 1786.77 5646.34 799.94 5165.04 9387.1 8645.96 3570.16 6510.73 3682.61 7711.21 6529.57 4883.28 10152.69 12579.47 3555.73 6401.92 8182.45 3515.56 8476.67 8826.56 4902.03 11967.97 8913.6 12044.74 5158.3 6256.39 4713.02 3704.83 4251.78 3680.75 2923.07 3331.87 6200.68 4272.14 4182.92 5618.32 1082.1 5835.91 1671.31 3611.5 3816.13 3491.63 3442.87 7135.15 3772.03 10045.82 7650.18 7282.77 7608.09 7649.38 7586.53 7625.79 7136.42 7785.61 7656.11 7231.5 Notoginsenoside T1 12038.19 23920.52 2231.45 11053.36 10359.95 9309.77 16260.25 13396.98 10921.38 10426.21 5631.94 10179.38 3009.9 20883.17 14901.33 12392.03 15204.57 8646.29 4594.6 9744.64 11737.96 5228.38 5731.79 12894.53 18567.14 9674.27 9969.6 10736.6 13513.68 11686.38 6002.83 12399.04 3332.19 13596.97 9362.03 3871.69 11040.75 13300.43 8072.49 10022.69 10274.33 7101.6 1917.83 11436.08 5363.35 14015.04 3335.75 11684.06 87913.62 11037.44 16691.92 13583.26 8924.15 7453.13 8731.92 8643.92 19650.62 12121.16 12270.94 16398.1 12342.13 12881.44 13374.85 20528.99 12593.17 6615.06 7127.09 12684.77 11807.91 13272.51 11375.88 13935.98 20164.2 105735.06 23496.89 11920.86 12428.97 12316.86 13072.72 12152.45 12308.04 11383.97 14048.28 12829.01 Indole-3-lactic acid 2487.15 4341.46 12161.97 14262.76 3723.95 4596.38 5126.55 2208.63 1236.36 3584.33 2269.86 1821.4 7218.41 3004.35 1356.31 1881.48 4246.32 1513.86 2873.88 915.28 1241.32 1189.81 2613.74 5441.26 2414.65 1557.7 3636.79 2518.77 1835.17 2029.36 939.62 1154.04 856.25 7000.84 4007.21 2047.39 1600.13 6654.59 3216.03 2887.16 619.06 729.12 2947.01 3170.41 2064.33 3427.14 1758.19 2094.78 2534.63 2049.85 1387.21 5608.11 2969.16 3767.29 2748.02 6238.31 9357.79 11227.7 1444.98 6051.26 3066.52 7362.91 2720.14 2029.12 826.16 3244.67 2145.38 2614.92 2444.29 1742.18 1760.01 3657.09 1421.95 4864.24 2708.36 3508.29 3464.58 3432.14 3477.39 3401.14 3274.43 3428.94 3443.68 3593.85 Majonoside R2 31770.53 1880.65 1528.81 18614.17 2203.55 582.39 799.79 45217.37 23971.26 27356.69 1803.39 25607.5 18396.98 21616.42 20159.01 5615.48 3477.55 1342.05 1096.38 23020.44 719.69 23069.11 2533.55 38702.38 420.12 35517.81 3955.14 23416.66 19148.05 26640.52 29495.43 5654.14 1153.06 38515.17 24961.33 21061.41 25950.16 27529.82 12794.06 8917.21 32392.32 39870.49 22234.69 22916.3 38310.85 25708.78 26255.5 35841.22 149659.07 27546.99 73762.96 28553.04 21108.1 19492.42 24536.28 35432.64 19374.92 25384.43 31541.8 14136.27 10570.41 11544.49 20921.24 10013.57 10575.09 31514.32 31522.12 22088.62 20585.07 10908.2 27354.62 23937.38 20195.75 43919.36 18048.69 27737.35 27773.03 27742.37 27200.89 27744.05 27223.52 27069.37 27252.11 27927.45 Enterocin 900 12350.12 13848.38 2498.17 16830.29 19457.36 2324.36 8666.65 27512.48 24585.35 11380.06 21019.74 32771.83 27323.12 6364.77 8564.28 5360.5 9437.81 13891.31 6453.7 16004.23 18435.71 8409.1 2180.56 15692 18997.97 13768.2 3811.12 10509.06 8513.51 5786.04 17665.44 27734.96 3359.47 5666 4520.66 20256.94 30780.54 29474.42 9694.1 8407.61 14193.01 12277.99 5954.09 30121.05 14095.83 14985.08 10117.25 6624.25 8150.96 26485.58 25363.62 10350.87 9579.86 30186.09 8980.01 7699.25 3213.54 19100.5 12459.66 4919.28 4945.99 5379.16 4689.2 6112.72 3747.57 8742.73 18548 6567.28 11308.57 6736.25 13124.45 4690.78 8395.17 8040.06 6262.02 14548.27 12424.63 12879.07 12548.34 13349.87 13422.4 12403.08 12366.48 9228.7 (+)-Menthofuran 5409.4 5347.28 8001.49 7624.13 4172.48 4426.74 8714.68 6344.65 4514.17 9275.54 8900.48 8155.57 12357.16 10209.67 5423.01 8716.64 6875.6 4975.88 10591.46 6058.5 4217.35 5415.26 10447.46 9300.86 6501.24 7023.9 8919.66 10154.43 5546.98 1613.7 2665.22 13223.73 3796.86 11871.24 7979.63 6440.74 5566.63 6356.32 9840.82 7900.54 1238.49 8542.1 10495.26 9139.27 4866.44 9022.38 4355.58 8204.15 7422.42 11710.89 5327.74 6651.18 10487.89 11553.01 4648.04 6200.16 7597.74 6868.59 4190.77 4101.24 7454.85 9126.57 5197.85 7714.9 5090.38 6578.96 2871.81 9812.77 9752.07 5104.16 3817.53 9876.3 7962.53 8880.45 10119.5 6651.7 6601.9 6666.34 6646.97 6848.79 6674.09 6645.21 6722.11 6720.08 4-Phenylbutyl glucosinolate 1352.19 1656.94 1945.67 503.69 899.23 1248.7 1534.64 1450.73 1047.78 1354.53 541.48 1200.55 1486.31 1397.46 631.33 1115.24 1383.88 1515.16 562.81 856.16 878.61 1115.25 1139.87 463.49 1052.8 1415.98 1386.86 1342.64 1389.17 1367.53 1056.39 1769.89 916.07 2679.39 2065.41 1128.39 503.68 1292.86 941.57 971.22 423.41 1789.65 1236.79 834.91 1084.91 1194.15 1339.34 646.79 1056.09 1521.97 1244.08 2425.23 1004.79 886.21 485.81 1422.72 2048.36 2059.8 500.02 1168.11 1767.44 1253.04 702.12 545.51 528.04 1117.86 1389.99 1207.7 1003.31 1076.25 627.15 2211.96 1079.69 2119.25 486.89 1425.17 1569.52 1535.3 1586.06 1528.37 1573.09 1534.67 1524.58 1574.37 Glucosyl passiflorate 6997.63 6196.46 4135.08 580.37 8599.58 47294.86 18210.63 9299.92 9847.6 7569.77 4729.11 7029.91 11461.72 4908.07 6979.37 7079.27 4249.65 7211.87 6684.09 13206.07 7376.34 7148.06 5918.28 5765.81 6693.57 6906.18 7698.69 5140.32 12600.48 7210.19 7717.95 35819.14 6620.33 7380.44 5085.43 11018.08 7315.96 6287.87 5625.94 4795.78 11784.24 10524.96 4184.58 4545.6 10374.5 5842.88 12336.47 6385.64 6728.38 8852.7 7060.51 7794.03 4031.71 5832.21 6072.74 7153.24 4608.42 3417.26 6598.88 6792.15 4645.73 5223.86 6386.13 4907.09 2968.28 7821.14 8497.76 3706.43 4754.02 7132.72 6495.93 6602.2 4434.44 6304.81 5961.34 9027.34 8749.97 8865.74 8756.49 8769.31 8683.64 8764.46 8752.96 9017.84 Homocarnosine 914.21 1075.7 1826.96 2671.31 2493.35 1110.64 576.41 2147.61 2801.82 1228.04 1494.26 1539.83 2217.37 2127.14 842.86 1326.75 1627.53 548.81 1783.93 475.77 3402.75 1392.36 998.63 2974.24 3037.18 1432.34 3517.74 2846.11 2306.76 1900.12 1747.43 1172.3 567 2384.73 1908.19 3577.87 1001.4 1519.15 3347.31 2878.12 456.2 1053.91 1698.57 1738.21 2195.55 545.19 2206.12 1613.47 621.57 597.24 743.86 1439.39 1728.51 579.5 1979.52 1300.54 1955.23 469.11 1380.89 559.61 1894.88 1565.76 2010.8 547.22 1406.67 2945.77 595.96 2246.85 2925.7 803.42 556.32 1871.02 1300.35 917.88 932.14 1636.5 1653.89 1327.15 1700.2 1504.79 1566.39 1097.5 1568.06 1725.12 Lipomycin 5551.32 1425.17 3379.2 928.49 7014.52 1051.5 3201.88 7699.55 7891.67 4830.93 738.91 3434.22 4004.53 817.69 5594.73 3676.67 2804.47 1126.91 6128.59 7177.23 6296.68 4211.15 2416.03 1823.05 7476.11 8584.59 1753.03 3178.38 1260.96 4381.5 2916.26 10382.58 8602.73 635.11 2340.94 6402.19 5330.54 995.92 1531.7 1386.1 2379.75 9691.36 2239.37 2075.24 8175.58 2967.32 2408.04 1297.44 3435.37 1269.53 751.04 2299.08 645.52 2559.99 6748.75 956.28 621.19 1070.98 8584.66 5658.47 737.47 701.01 6670.16 1969.81 627.15 6147.41 4250.59 1956.52 2048.8 6696.85 1050 4390.93 1514.9 1068.48 841.11 2630.92 2563.75 2867.24 2918.55 2527.68 2863.7 3276.32 2045.8 2857.98 6''-O-alpha-D-Galactopyranosylciceritol 1182.32 459.27 2821.69 2545.75 1653.54 16551.22 748.56 1877.3 302.48 6543.51 1226.07 1407.86 780.87 878.16 1211.44 296.72 1182.67 319.17 529.37 1167.8 353.62 8285.42 1961.95 3143.55 1258.93 8999.63 731.12 1825.65 334.07 261.15 1678.22 895.31 926.55 3983.51 3239.9 334.62 462.68 10952.47 1322.31 289.51 1587.83 2203.73 801.65 521.45 434.91 2337.66 666.38 1783.11 362.9 390.22 1254.38 1695.08 1343.15 1876.7 493.51 751.01 264.3 2588.39 626.93 11376.7 1228.04 3049.13 508.75 1914.88 489.71 1743.04 1014.69 1052.01 1286.85 664.25 859.55 6215.13 1163.42 1724.74 1365.95 2525.89 2371.2 2695.7 2541.13 2462.7 2511.19 2460.33 833.13 2349.93 Brevetoxin A 1830.06 554.36 1085.54 2705.35 2601.48 6386.83 1595.55 730.06 1294.14 1859.19 1392.97 2099.73 3116.68 639.74 1158.74 752.52 520.24 1040.64 400.57 584.41 575.8 709.61 553.34 2024.75 1510.54 1503.09 442.28 1014.85 1442.58 660.77 1978.35 2664.11 765.1 5810.95 6067.78 4639.86 9881.34 7207.9 3498.62 9250.23 1380.22 7498.65 7465.74 7201.92 3719.24 6848.26 6163.84 5025.38 5574.43 8382.47 6279.4 8058.23 4748.93 4659.32 5762.7 7860.24 4066.77 6110.06 2075.52 4262.89 3711.93 6084.6 1662.53 6754.56 5512.93 7925.33 8398.11 5783.41 7862.9 5950.41 5599.34 7002.23 7893.88 9605.44 5514.3 5888.31 5619.8 5931.42 5928.26 5720.87 5789.96 5929.84 5723.86 4763.08 17alpha,21-Dihydroxypregnenolone 4427.93 4849.66 4107.5 5830.97 3188.83 3430.23 3119.38 10864.02 2422.9 2790.34 4966.02 2875.08 3064.53 4444.87 818.75 711.68 4179.08 6002.57 3606.23 4369.56 2262.83 610.67 5212.63 10488.84 4028.45 1232.07 4308.31 5045.8 3959.24 4479.13 3117.2 2321.44 4491.72 3884.47 4560.46 3122.36 3709.7 4830.49 4255.1 4582.94 1107.16 2115.49 4851.62 4352.26 3333.26 2346.61 3471.69 3680.35 1408.07 2769.77 4074.7 3823.87 4793.2 6089.22 4365.12 4478.69 4833.55 5023.75 4611.31 6161.82 4530.4 4470.82 4245.88 2629.48 4916.51 4280.13 4813.78 4405.67 4601.47 3946.03 3608.97 3846.04 3204.28 2411.04 2336.08 3013.75 3701.33 3549.65 3646.97 3467.06 3640.51 3673.47 3704.69 3719.97 Maraviroc 1182.32 5017.67 3248.4 4157.53 5182.48 54907.11 2340.71 1118.79 1465 1320.35 4349.29 3220.52 4917.08 2003.44 2197.33 1356.21 3866.5 3633.56 1204.74 1964.07 4701.1 2903.91 3204.4 884.48 1413.7 3840.8 656.15 4256.46 4292.37 2535.86 7358.9 8064.92 3590.72 3861.13 4807.94 3656.69 1066.7 6012.91 4079.63 7163.96 511.25 2381.86 3374.25 4801.06 7592 4299.73 3867.54 5973.9 5068.03 18425.91 1058.15 6521.41 2485.73 2614.86 2581.24 9026.08 1811.47 4356.21 4631.82 3357.64 3390.22 5583.39 3441.78 2658.85 2851.4 2567.21 5866.46 1429.19 2453.83 6137.93 5119.02 5018.08 5962.09 8669.42 7167.73 5642.66 5422.89 5239.63 5060.44 6598.72 2148.65 5659.7 5280.56 5251.61 Thr-Glu 25490.93 2561.42 24477.59 23794.89 25784.15 11498.45 13376.5 13217.42 1291.3 19194.34 3603.18 14349.24 8870.79 17833.61 17528.65 15824.43 17697.45 16626.57 17754.74 15950.73 2438.84 10840.76 12032.52 21127.52 24783.38 4944.25 23894.18 22594.12 22788.14 17472.02 1995.43 20256.75 13636.18 27061.42 21976.74 25326.33 13237.9 10696.99 20548.62 18533.2 17063.6 18118.07 22231.98 19444.31 21427.63 14740.59 11725.3 19410.23 14501.52 13281.67 18617.1 16882.63 18235.98 13859.28 7635.69 18567.68 19589.25 14895.75 17847.85 12097.45 15789.85 17349.58 13750.66 21415.15 20784.94 20058.86 11710.04 22788.27 20037.85 21649.56 19976.63 16640.41 12360.57 14629.49 19699.16 19876.01 19879.83 19212.64 19656.33 19662.42 19877.9 19660.69 19653.41 19891.02 Acetaldehyde di-cis-3-hexenyl acetal 1902.02 3377.19 4279.51 4339.73 3613.38 3063.68 2648.74 2062.27 2410.64 2161.72 538.52 2116.25 3487.67 3340.03 3213.83 3855.87 4605.08 3737.87 3949.54 4024.72 3203.03 2579.18 1584.75 3889.75 2378.82 2097.55 726.77 440.69 2952.96 1720.59 3141.11 4131.92 1556.61 1308.53 2292.73 2260.08 2487.22 868.1 1067.89 2137.06 2933.01 4781.3 3666.83 2674.59 5312 4783.29 4167.71 3314.41 1049.8 3450.61 1215.26 3427.45 2771.33 3718.75 3351.17 4053.31 5830.59 4861.97 1945.92 3817.03 5387.51 2106.99 5147.84 2715.64 2463.42 5063.93 3972.74 2601.75 3541.82 2635.44 1126.02 2678.86 2336.94 3951.1 4367.68 22108.19 46492.69 24355.37 21656.5 23312.15 23333.58 23573.82 22240.35 22183.36 22318.34 23971.4 22056.18 22778.75 22518.78 22236.01 20890.63 23780.22 21254.9 22443.17 22136.27 23488.44 22990.19 22082.97 22274.12 23242.81 3882.5 4077.65 3960.39 3912.78 3881.98 3977.09 3884.91 3886.64 3965.38 Mosinone A 23399.4 1132.12 9084.94 536.87 2873.99 45643.88 19718.14 11866.29 23837.54 16583.55 2624.78 11082.31 17084.28 15240.53 10670.05 8875.12 15504.38 11034.49 9171.51 8248.95 1521.07 26086.86 24650.31 17465.82 17599.5 18377.25 17173.36 27968.97 23634.98 8548.11 9455.71 517.12 11132.26 58117.58 25003.35 10296.01 19481.59 45387.37 46166.9 15812.6 8309.69 14255.68 10192.15 18432.01 13447.71 27782.05 9597.43 6956.83 17181.82 15241.86 27291.17 26233 14249.33 25591.13 13468.15 7280.06 6413.9 5358.81 9170.88 8635.21 7999.84 26263.83 17804.25 16088.4 6026.85 21304.92 21291.43 25371.4 19937.56 13065.14 11516.88 13410.74 18294.21 11602.45 27598.58 7964.74 11908.93 6424.57 6487.88 5129.94 6128.88 2954.95 28021.99 12754.88 2271.83 3366.23 9028.35 4862.15 19061.13 3016.42 4407.95 7010.9 5369.9 6635.33 8548.5 6884.83 4968.55 9032.5 5717.85 16476.18 16400.57 16487.36 16243.39 16229.47 16226.45 16280.27 16858.1 16482.64 3-Hydroxypropanal 134275.71 188637.78 166150.93 163517.57 1487.23 88706.87 151647.89 133966.95 170157.3 204228.62 47930.59 96540.4 140230.1 131675.22 124179 114298.31 139439.7 128068.94 215586.87 117722.3 166710.41 104798.75 113049.65 131862.35 144975.88 5328.71 160736.62 155746.11 176147.43 109115.74 187807.54 217179.26 126461.95 154597.31 151360.14 230798.31 155428.84 82743.14 187076.75 146028.2 146655.71 131369.79 181492.07 165864.11 169102.52 4272.26 108049.64 209980.75 75631.1 107595.73 174888.74 102482.1 281403.31 136785.08 48173.71 157579.05 113110.18 171454.87 15283.91 97259.24 282002.37 106553.12 32158.42 103440.81 169354.71 177494.62 84090.41 189425.89 120572.7 112334.28 140126.38 214651.47 108990.49 82975.44 97910.54 3419.13 3236.87 3567.86 4701.29 5544.07 3515.49 3335.68 3958.08 2507.26 2605.09 3164.36 2106.35 5127.0 4309.86 2699.63 3471.01 4192.37 4058.98 4319.27 3193.02 3656.38 3179.51 3600.71 2897.28 4258.85 83936.36 78494.93 85233.52 82383.05 73944.8 73554.5 76547.96 82892.79 74436.14 Apiforol 14394.06 21475.71 9540.16 9542.57 8657.02 4971.71 2314.71 7546.31 7536.65 3812.8 1679.05 2281.94 3232.31 4437.71 5806.8 3765.86 3319.4 1868.64 7206.5 3881.3 6963.78 2394.19 2182.25 11670.68 17880.75 9841.87 16569.07 14172.32 18597.77 6749.06 4348.78 10023.48 3401.29 6405.35 6427.8 16295.44 10194.77 8275.91 8516.54 11743.47 3924.44 2167.39 737.44 2485.04 954.35 2188.67 6950.2 5166.33 2223.47 1819.67 916.9 1729.29 2501.15 3270.79 1137.58 4979.63 2523.8 4320.69 2778.45 1753.04 2855.7 2873.55 3009.21 1578.5 3931.04 2960.08 1267.89 5073.09 5465.52 2465.11 2170.87 3787.58 1568.85 2687.94 1349.07 2108.39 2069.89 2222.64 2222.44 2090.81 2073.65 2118.24 2297.57 2233.46 Taxa-4(20),11(12)-dien-5alpha,13alpha-diol 2261.82 6320.59 1066.48 1926.88 1648.05 2809.24 3030.21 5093.2 3859.1 2468.14 1539.95 4749.04 1493.69 1711.38 4693.16 714.33 2313.86 4825.15 8227.74 759.65 5015.39 3595.05 1609.82 3129.23 6128.7 2551.04 2099.14 1234.8 3472.51 1700.4 1404.16 5138.81 1271.1 564.24 2206.95 6253.56 5509.05 2913.16 1576.16 1826.58 1920.55 11466.88 3426.31 1925.85 5342.91 2630.36 6149.45 2189.85 494.15 4549.85 1519.87 5384.15 1356.72 3108.86 6136.95 9171.86 715.74 586.9 1796.79 694.51 1634.09 1647.75 7406.06 2026.89 1670.49 9472.63 5983.08 2823.82 1798.31 8182.03 1983.61 3576.16 2188.4 733.86 2803.82 2524.33 2728.6 2585.92 2677.93 1940.18 2730.33 2738.01 2544.37 2731.57 Erythrodiol 3-decanoate 2788.32 1964.98 2210.9 938.65 1495.48 2196.38 3441.7 3344.36 3761.03 4021.48 3193.31 1892.25 3591.87 2855.23 4457.46 3432.15 3801.23 4308.79 1712.26 3715.31 1744.42 4258.27 3560.06 2274.45 2544.21 1755.95 3540.18 2734.16 2298.44 2888.87 3942.19 1208.13 5287.79 1911.66 1491.65 4103.96 2484.99 4256.66 4557.69 3151.3 665.28 6934.4 1961.09 1827.69 4900.3 3663.2 3601.21 3622.47 1462.61 2206.56 3096.96 4164.59 4258.29 3656.63 1274.66 2154.19 2459.06 4037.19 1343.68 3571.09 4663.1 3369.28 3508.38 4249.18 4348.92 2364.17 1893.93 3715 3553.97 4713.7 3357.24 3721.91 3303.89 3472.66 3861.86 1943.52 2864.56 2655.71 2789.44 2889.13 2856.02 2846.67 2672.9 2967.3 Brevetoxin B 843.08 791.7 1005.57 3521.53 2034.36 782.58 10775.94 6542.19 4465.11 3475.5 509.2 2136.25 1765.11 1183.69 684.86 404.67 729.5 901.9 762.31 10396.54 5349.2 1171.66 660.57 330.82 753.65 852.17 8646.84 8561.46 1012.92 409.35 1570.01 3251.63 764.93 10350.74 6640.67 4274.88 9347.78 10368.2 5991.55 5683.6 21240.17 15021.81 4901.71 3982.75 14642.01 6896.39 4547.03 3205.11 2435.37 3457.07 9442.03 9044.8 4175.91 5200.58 7184.93 8079.14 3573.36 2634.2 7856.74 7324.34 4458.61 5234.56 6806.87 5573.92 3328.87 10691.47 15123.03 4060.94 4486.34 9297.55 9572.51 9350.25 5621.65 6086.99 7085.66 9189.64 8579.43 9010.25 8767.07 8475.33 9049.79 8566.22 8107.24 8753.21 Postin 5405.43 2432.79 5649.43 7217.57 9795.57 528.39 3261.78 5435.91 3704.93 7917.64 5121.36 4603.89 11325.26 9942.07 4553.94 6592.68 2330.89 2943.59 8969.83 2819.89 3342.99 582.94 8025.64 5866.8 8230.37 8658.33 7925.44 7820.49 4706.11 2265.86 3540.51 6093.69 3586.79 19987.18 6713.4 6734.36 4372.35 7106.84 7311.04 5350.76 2326.58 4454.93 7241.5 5170.24 4186.6 9078.23 574.41 6402.65 10958.67 7133.91 8350.94 1364.13 14350.88 13403.87 6995.74 2423.94 3921.91 3842.58 795.07 3893.78 3354.38 5214.2 3906.68 5172.7 1185.03 7653.5 1242.46 5631.85 4703.41 5249.03 3787.22 9189.25 5228.92 6072.86 7059.16 6076.67 5979.93 6006.79 6006.63 5926.56 6075.27 6073.72 6217.83 6058.13 2-chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 3009.13 3823.03 3327.99 3479.13 11722.44 4926.62 3271.51 4993.46 755.19 838.67 1957.36 5161.92 1161.09 2496.6 6237.34 5630.02 4853.58 3332.87 2754.32 1524.51 7671.78 1280.29 1630.47 927.26 2869.91 2187.58 599.55 5485.94 8938.1 906.19 2799.04 4657.78 685.08 2176.34 1603.18 1550.31 2839.68 1194.5 4986.24 2100.68 11552.83 14375.28 1799.45 413.72 11366.4 1643.1 5494.07 6456.12 1219.96 1782.79 2034.57 1165.23 1798.57 1269.71 2213.22 706.48 337.05 1346.81 1528.7 712.18 2357.99 2147.46 11056.94 1788.88 1761.77 16770.23 6463.73 2529.27 3567.16 1106.4 2966.38 1230.91 492.27 1242.23 1930.68 3454.11 3181.17 3387.36 3492.61 3138.57 3370.64 2572.16 3125.29 3079.54 3-Hexaprenyl-4,5-dihydroxybenzoic acid 1750.11 637.39 2060.66 7940.86 2058.12 1355.29 23251.26 1108.19 2875.19 2070.61 1886.64 756.47 17562.18 3735.32 2156.04 4188.94 898.73 1508.53 3346.44 3262.14 672.06 1683.66 1732.56 523.37 701.21 1218.07 1622.54 1152.45 1374.22 2649.18 1654.68 2434.17 3293.22 3453.79 3758.18 1501.19 1131.3 1184.73 1580.11 1304.19 1618.92 2190.95 534.49 361.73 2091.58 12323.73 1420.97 1336.6 1034.84 6816.16 2968.78 1353.78 1773.39 1846.82 2240.52 1917.86 1257.79 1831.63 1587.13 1513.44 1269.98 4181.24 897.35 2787.6 1415.73 6776.59 507.84 942.33 981.06 1223.42 1748.16 1565 744.34 5223.39 20641.54 2056.41 2151.05 2108.08 2390.02 2369.76 2885.2 2291.76 2392.18 1337.49 Ginsenoside Rh6 28884.94 37523.6 21037.5 33490.1 35949.58 37765 24499.37 16292.04 18913.48 21859.57 17892.37 28113.69 39969.93 35447.3 23455.45 28552.34 23396.6 32346.05 31185.64 37183.64 26619.56 32613.77 26998.7 16705.78 20538.22 41525.02 20331.82 25213.31 37670.26 42427.61 32592.32 42482.12 38115.64 37213.54 24142.82 35006.85 29749.69 46144.65 23023.31 26878.25 33390.26 32920.8 19759.6 20473.2 30227.58 11024.61 27615.78 26643.59 30620.01 40885.11 29189.54 31748.62 20660.72 26212.9 20886.94 25005.64 21550.8 14289.28 17781.55 20905.41 20222.04 17421.93 19677.43 21187.2 15301.01 22256.1 31509.84 17991.55 17790.42 18799.75 19281.53 18842.79 14664.5 20248.33 25150.74 26824.1 27072.6 27914.14 27074.55 26830.72 26827.72 27197.16 26831.52 26585.66 Leucomycin a7 8492.07 4161.55 565.52 3777.83 5768.6 3339.24 670.23 749.97 3259.68 4375.11 695.68 888.86 7563.32 11163.43 1222.49 9906.7 3811.65 8555.3 26142.12 3163.03 1287.47 1877.48 10843.47 1987.54 7140.15 1866.85 6258.94 437.18 1576.18 5903.26 1391.05 8046.49 516.63 6667.72 5588.45 8037.56 4755.17 768.06 4743.15 2887.17 2795.49 2483.6 14395.8 3775.92 2025.24 1908.58 1461.17 11789.21 16117.58 13954.8 4240.59 13098.87 23770.3 6719.03 1290.2 1269.5 18253.06 681.98 3177.12 435.18 3834.57 17332.44 1200.73 1801.47 2864.85 8382.87 2671.14 11524.97 1664.23 2411.69 375.53 4750.58 2482.66 2482.63 6958.81 5497.33 4280.31 6253.61 4958.45 5117.13 4715.49 5094.37 5503.87 5642.76 O-Acetyl-L-homoserine 2383.58 2380.62 9901.2 2671.69 9156.85 1707.51 5406.16 8224.9 7572.98 6102.54 1805.23 1229.68 807.38 1193.58 5472.7 5765.46 2944.38 6518.68 6396.82 4944.05 7352.85 992.12 4033.72 8587.84 10664.34 7676.91 10302.61 928.33 12306.71 6277.37 7252.04 8066.62 616.18 9093.51 8454.48 10699.25 7367.35 2566.04 8122.55 6593.68 4741.47 6142.86 6596.4 6560.09 7590.28 4758.37 6850.26 7301.55 4348.16 5322.53 5199.26 6405.91 5619.4 3240.84 6716.38 8477.9 6441.03 5761.79 6896.3 3416.52 5955.47 6590.66 7472.53 6124.59 8517.07 8244.49 6078.24 10290.14 9341.4 5473.06 7241.36 4496.49 3325.06 4776.74 6908.48 7172.57 7259.49 7138.67 7149.2 7408.67 7260.9 7147.63 7137.91 7239.13 Ceanothine D 6253.43 7587.64 7198.34 8953.6 8574.57 3457.48 13052.63 12220.64 4733.12 7469.16 2733.8 2728.95 1705.14 6275.45 4718.63 5293.87 1589.12 3429.02 4637.98 2356.26 6602.8 4351.76 1463.14 5583.71 4319.45 5399.52 4266.25 4764.87 4184.9 2864.12 3657.15 4427.63 1106.95 3285.36 5276.69 2302.81 3681.16 3267.91 6599.24 6522.26 630.72 1523.14 4994.95 3012.28 3609.15 5286.78 3262.65 2947.68 4017.77 4548.75 3490.78 2762.91 6396.18 3222.46 11144.1 3658.95 5716.59 4085.73 7823.26 4280.77 3576.62 5099.49 3815.82 6687.29 2953.06 2234.44 1093.2 6060.15 2914.64 4847.94 9443.91 5572.13 6480.33 3524.3 4261.73 4010.21 9764.3 4235.11 4774.96 4288.23 4149.62 4111.0 3293.73 3725.72 3991.44 6375.66 4255.17 3322.23 4132.46 3894.36 5670.35 4262.51 3888.67 3621.12 3703.51 4320.39 3536.28 4048.34 4435.54 3567.69 3489.25 3595.17 3674.17 3717.17 3412.87 3747.07 3374.79 3506.56 2608.62 Naphthalene-1,6-disulfonic acid 9579.62 8835.14 10379.37 9626.64 9097.64 8817.36 36765.9 13630.45 21364.95 36317.15 31455.86 32864.22 31645.92 19916.27 11512.46 37366.38 41395.98 38469.75 20166.72 23318.33 26291.55 33442.76 32804.88 8935.77 18251.66 12255.6 13904.41 19036.12 9493.28 11396.06 10129.24 9232.25 36200.98 10012.33 13373.27 9139.24 11466.71 39093.51 11930.67 10509.77 42443.31 43129.38 44863.81 40516.63 39920.58 37710.21 37725.67 41665.34 39803.62 36681.86 38432.14 37145.87 36988.71 36487.51 39064.86 22649.76 38068.81 40590.75 40055.92 39497.12 38122.94 36949.55 35196.14 35317.52 18889.35 40194.35 33423.16 38151.85 36553.55 35887.84 35767.39 34607.59 35226.68 36535.59 35533.14 25053.15 31848.46 32655.79 32015.34 32665.61 32622.55 32165.3 34581.48 31672.48 Aphidicolan-16beta-ol 2793.89 72.4 28.52 98858.9 181627.71 257040.39 322211 2369.05 263.43 239.28 94.75 2375.54 61018.58 525.06 1631.32 10964.61 1827.31 744.8 763.11 612.94 1612.8 12468.71 178.52 757.59 1148.1 1348.94 1593.33 1260.81 1331.64 1957.78 474.64 4494.03 303.18 10567.85 334.65 5995.61 824.5 7649.8 3148.36 1391.99 100500.38 7649.92 159.31 144.44 142.65 74948.86 88.81 5072.13 193.97 2498.56 8280.47 1329.77 2428.86 6122.96 15933.63 2582.03 1324.16 202.34 1435.21 9358.64 233.57 8882.11 2631.8 1412.24 57.54 7320.52 318.98 186.6 232.6 7351.87 43.24 1593.84 194.5 1014.38 6625.32 34014.85 33530.76 33700.63 33617.39 33702.19 33561.88 33633.44 33526.47 33160.61 Neoacrimarine K 2879.08 533.97 360.94 5319.95 1130.35 1201.53 9152.04 423.13 1557.59 8121.58 3883.97 609.95 458.25 514.49 6134.21 17566.29 13559.31 877.7 38786.09 2100.47 489.05 935.06 867.94 325.92 696 15179.24 467.75 633.09 30232.96 8731.3 837.99 428.44 435.82 2421.63 13719.6 1044.3 3508.62 3759.06 1392.69 878.93 3322.54 1319.54 5248.2 11994.67 2758.85 2087.41 12447.44 19907.27 2735.12 5907.72 740.09 7707.98 15512.41 3691.34 612.73 6531.99 2446.92 10268.09 9078.17 5748.46 10158.32 2911.14 6965.15 13355.85 23323.4 1084.52 1546.8 3623.03 3549.13 1582.94 2942.34 4006.38 847.75 14423.6 2398.09 6413.74 6384.72 6378.64 6040.23 6071.67 6508.73 6052.25 6410.05 6033.95 Caldariellaquinone 5229.22 6402.15 22410.76 6444.73 31261.02 58708.42 64455.24 7470.37 2929.48 3984.18 6699.35 1218.13 2503.88 1060.15 1098.59 92600.8 3123.78 868.19 2657.81 904.99 5503.62 3336.35 2120.15 3844.05 3912.26 5861.23 2286.32 1328.66 3387.51 1128.11 1677.14 9491.91 1400.4 3749.52 5816.94 565.65 10633.45 6380.02 3639.31 8105.1 3313.63 3279.51 4542.05 4692.34 1633.34 2633.15 5294.35 4256.91 3154.47 7598.91 6277.87 10892.08 3179.2 2346.94 2630.86 9533.04 9917.69 6469.57 7350.11 19294.01 5072.84 2979.7 9934.12 5305.26 6376.03 1714.45 7380.97 4146.07 2727.69 6432.87 3439.92 6669.88 4768.09 1710.28 2532.07 4811.39 4809.63 5029.12 4995.7 5101.71 4606.15 4649.1 4958.11 3766.28 Elaterinide 4779.67 432.26 16018.8 7424.05 1586.35 696.81 5691.07 2008.41 5452.43 2966.77 6341.27 10349.67 6178.34 10525.56 4903.47 9193.86 8344.37 3825.53 1008.87 5250.22 4719.58 2814.82 3558.78 7654.04 915.25 3328.62 8888.5 7716.12 3776.33 2111.02 4637.07 1427.01 4560.14 3261.53 4956.95 2695.12 8941.87 1901.41 5956.37 9287.67 2689.27 3670.7 6607.97 7705.05 4502.27 5430.51 2537.67 4961.82 2594.53 4577.03 3815.21 4992.67 8583.53 9174.65 10006.95 5495.38 20653.14 9387.4 5799.48 4779.86 11399.9 4012.22 8619.27 10120.33 7349.46 9400.61 5625.57 7043.91 6663.91 4223.46 2690.63 2999.78 11960.54 18983.4 8799.07 7418.31 7169.25 7398 7395.13 7191.62 6586.62 7643.34 7410.79 7386.2 Momordicoside K 3768.31 7771.54 14434.7 13891.84 9484.58 10597.15 13536.45 10007.52 11398.95 11949.13 5619.14 1244.07 4230.05 3539.74 11642.53 7281.96 16566.32 5931.13 7148.71 1666.3 13408.51 4274.73 5899.1 7677.57 9953.25 11734.18 7215.22 7250.5 4578.65 12263.47 6086.8 6351.59 10745.22 10909.24 8316.57 8001.71 13580.79 11310.82 6133.5 13003.1 11052.69 8837.99 10496.03 9101.25 21489.52 20197.89 16526.53 18766.72 28218.26 24760.25 3306.93 10758.84 7217.54 19361.5 11948.04 7407.31 12706.18 11482.45 10808.08 17877.22 14840.46 11751.6 17519.03 10886.86 15116.2 10512.85 9693.89 1419.91 3941.38 9983 15053.35 12179.35 10559.65 65094.62 15210.79 17540.06 18151.52 16065.65 17756.09 15391.76 17788.94 18155.89 17374.2 13930.13 (R)-2-hydroxy-3-mercaptopropanoic acid 5372.31 390.62 2361.66 754.02 5189.64 3642.18 5717.34 14623.81 2870.56 4075.42 7610.77 2751.99 2960.22 6102.05 8513.74 2622.68 3910.52 2550.3 2645.81 345.06 4180.6 11790.77 3407.9 2485.79 638.86 1764.14 677.73 3376.92 2218.95 3045.19 1283.1 583.88 7915.85 2376.3 5837.76 4102.87 4991.77 6810.95 8693 5507.72 3425.4 2221.46 5537.36 5354.93 4450.31 5003.49 3182.56 4131.98 349.97 2404.21 3230.59 7322.85 5878.81 5216.62 3947.67 5183.66 6036.55 6852.12 5332.83 6555.42 5901.36 5908.24 6279.29 4699.81 6092.53 3774.28 5641.79 4622.07 10106.51 4903 4893.54 4223.79 2848.84 1802.15 3905.08 5500.31 5913.01 4902.4 6568.13 8412.96 6133.81 7234.36 7754.93 6891.25 Arabinonic acid 211.35 119.64 201.08 248.11 203.7 3120.35 1278.74 251.64 184.5 218.42 159 254.57 324.39 196.92 306.98 285.9 138.67 193.28 205.02 190.67 261.43 192.53 160.7 270.65 180.84 172.29 308.49 137.06 117.02 314.62 176.9 453 204.44 132.28 125.44 135.83 158.56 205.3 133.22 131.87 127.84 142.34 121.44 146.59 143.81 202.78 197.09 183.45 158.26 172.65 155.51 164.89 148.48 207.51 241.73 148.06 150.23 162.99 137.57 197.25 150.38 200.49 189.79 211.08 134.97 216.62 227.92 166.28 132.6 301.91 160.72 139.3 174.63 250.94 143.11 716.04 810.76 833.23 778.22 835.3 812.64 833.39 819.4 815.73 Adouetine Y 7231.63 6761.97 6699.77 7831.72 6835.88 6568.08 6787.63 8717.31 7697.19 15763.45 935.85 3658.97 1008.56 6193.49 22218.9 1680.36 17405.26 9664.46 1352.34 3770.2 7939.46 5708.94 6097.22 3329.4 12385.45 11366.03 7359.07 8535.16 5432.39 612.21 5477.42 7479.36 7190.35 29737.93 4752.4 6602.31 7532.47 2428.18 17226.42 23193.16 7661.52 4132.23 6876.88 8519.04 2711.96 15632.57 4954.03 4869.59 2033.12 2056.4 2871.3 4560.08 12078.67 10825.22 13706.59 6826.4 5895.96 5711.52 13018.18 6227.69 9505.77 11121.54 10984.52 8658.29 6201.78 8541.92 5831.51 8720.88 6481.38 12090.31 753.96 3310.96 2079.22 11037.45 11067.69 8829.48 9418.48 8969.68 8723.21 8002.2 7407.93 11391.12 9621.4 9539.08 Moexipril 3821.78 33505.75 59038.79 56393.22 8392.11 10273.46 56712.23 39575.48 18926.01 62159.93 49631.84 46472.69 68607.02 72138.3 26384.4 47715.58 39283.56 1289.91 58957.12 2169.36 12250.49 26565.79 64254.68 3738.22 34795.37 47921.42 67074.81 83924.32 31424.39 1579.96 23420.29 84193.6 6009.53 88472.24 67126.37 25346.73 30501.7 32225.72 77718.05 61923.86 903.76 40023.92 67709.74 61976.42 24979.98 50797.07 15865.5 52926.23 45447.78 62944.39 36456.99 46083.01 72275.17 77684.79 26390.16 38635.32 50909.32 51434.15 22528.46 24537.38 54518.01 72524.26 25916.56 52319.15 26959.28 55707.1 3457.72 77954.33 70063.25 27747.8 20000.87 68382.26 49175.72 56674.5 69534.09 39956.93 39593.05 39928.39 39309.13 39282.74 40021.85 36317.71 40075.4 39818.79 Braco-19 1614.79 2289.82 1448.54 1347.58 1293.41 2640.32 736.46 1605.97 3167.61 330.44 467.67 2349.76 2830.29 2330.28 751.81 1490.92 1477.42 1070.67 482.36 535.75 2742.05 576.34 1221.3 972.82 438.67 657.49 295.6 1127.5 6300.4 5067.74 1523.33 888.38 1310.56 1841.37 1278.92 4518.86 1681.55 1742.37 1134.45 1204.81 4283.16 3576.29 1216.12 840.6 2645.08 1253.48 9901.24 2841.87 2432.5 4472.94 1196.27 2499.91 882 1755.2 1464.93 2241.39 1514.05 786.32 1485.91 1680.51 505.93 1379.07 1155.4 1595.92 1078.39 2007.35 3375.66 1525.79 818.86 1974.27 2109.27 2249.71 638.54 1056.38 4025.12 2745.52 2791.98 2596.81 2810.17 2748.66 2761.49 2992.57 2819.59 2745.77 Kuwanon L 318.99 502.45 353 668.4 937.3 663.98 536.12 1999.73 1312.16 588.64 814.04 220.87 380.04 1250.85 550.83 459.02 449.63 469.24 356.3 1240.43 209.63 6766.94 226.38 337.73 582.63 1107.77 244.02 410.67 2388.1 312.89 279.49 1671.15 666.49 465.48 731.96 5761.65 5050.2 754.85 1492.38 586.78 1608.9 5388.83 1130.85 824.77 4411.7 850.16 4727.84 661.22 1871.57 4170.6 1345 603.58 239.77 625.33 4130.15 699.88 316.69 533.73 679.34 4446.36 285.22 873.31 1103.19 221.29 1115.58 2815.45 637.42 2564.73 1662.74 2459.13 1672.32 2058.02 1023.61 582.97 1345.09 1904.68 1701.16 2070.12 2086.14 2087.82 2221.37 2133.27 1583.34 2180.82 Murideoxycholic acid 66386.63 101784.37 69251.44 97617.89 71409.37 91665.35 66028.26 58625.27 58337.82 51457.37 33434.7 34080.87 37413.3 85418.05 56048.44 73092.67 50877.06 61947.9 56869.63 48491.36 60162.5 30642.24 58144.13 103385.72 59135.13 100840.01 78054.11 114921.69 61875.86 59521.56 64706.2 85461.65 27906.93 66386.85 62718.82 56253.88 58383.18 55932.92 76475.48 82173.5 59318.03 59580.34 62095.96 85435.08 55515.13 60155.21 75038.33 56144.22 75121.06 76172.22 49885.78 64564.62 61539.19 81390.18 57784.19 64449.49 53267.88 58420.7 48549.86 64092.45 63475.16 57371.51 62034.14 86152.69 69569.95 66670.78 77237.95 77919.34 73400.77 94307.14 74495.5 93585.46 100839.36 60802.7 91241.81 77721.53 77736.63 75086.78 76391.57 78093.15 74430.89 76877.5 71121.59 74323.75 Macrocin 353.35 287.21 252.94 218.06 363.58 390.83 467.39 298.96 1268.75 1361.64 347.07 291.23 425.87 163.51 250.66 568.35 282.87 728.47 1022.85 639.9 479.94 727.94 370.3 324.91 703.89 297.7 131.16 212.8 501.85 295.06 277.25 404.21 180.15 567.73 435.65 4680.11 4157.58 198.04 121.17 396.67 235.24 4068.42 1192.28 218.1 6614.18 448.09 1832.09 1088.33 4672.54 5126.61 3439.82 2249.94 936.81 1155.34 4748.36 1663.14 208.19 429.45 7638.93 713.68 613.06 254.25 3976.44 2383.28 1428.18 5246.68 1421.36 863.24 269.74 3773.52 1621.16 3406.23 1740.41 516.72 276.85 3199.31 3005.94 2237.04 3020.4 2980.95 2993.25 3933.93 2996.3 3091.02 Cannogenol 3-[glucosyl-(1->4)-2,6-dideoxy-xylohexoside] 236.13 1746.72 1259.93 357.51 974.39 509.68 344.65 383.67 1205.46 411.93 458.11 477.22 778.57 857.75 353.31 342.72 778.76 765.84 538.04 338.06 662.47 1996.84 471.38 1496.85 1708.22 1722.58 167.08 1461.57 331.25 571.98 355.19 632.57 1559.35 2591.17 4467.22 2396.09 1790.13 5306.39 593.05 796.73 2091.15 818.88 1505.6 762.72 1337.1 225.08 10003.22 7156.31 1174.77 3320.96 3279.33 6559.4 928.03 1421.56 2693.14 20590.55 1105.1 7303.15 7521.59 3530.5 3319.57 791.61 704.73 10271.28 8732.51 2496.01 1862.7 1077.25 1396.58 1098.34 4620.9 340.35 398.83 5896.83 1038.83 4766.5 4854.23 4538.68 4792.63 4032.64 4496.67 4551.32 4483.32 4814.7 Cauloside A 4273.56 3967.35 3145.63 4377.55 4255.49 1313.16 11035.34 11867.28 5816.58 12208.94 1615.25 1928.56 3549.65 3308.72 3971.67 2745.76 2928.8 2527.97 13302.91 1485.23 2955.9 1893.36 674.31 3478.9 2606.49 5261.87 457.2 539.69 1958.25 1839.82 1410.82 7548.89 1232.76 15728.58 11602.08 14056.83 12364.88 2690.17 10794.03 6583.56 5010.74 4394.07 12582.45 5193.68 8070.1 7956.18 10924.66 9004.23 93997.55 14634.94 13036.71 9611.28 14311.67 8923.55 8496.69 16235.41 11903.84 9524.6 8352.73 5249.96 10861.11 6244.34 10342.39 10603.71 5547.85 8221.47 3533.57 6884.66 7130.65 14864.42 12739.6 16565.65 25704.34 62691.45 25373.38 13580.41 12737.94 13681.49 13030.46 13208.91 13979.38 12936.94 11835.19 12991.35 Desmethylalborixin 421.13 2021.19 3844.44 1482.73 1121.94 484.53 644.18 2766.06 962.77 2745.75 1980.02 1734.97 1445.9 2544.21 1168.26 2341.04 459.66 2676.47 2258.13 1331.33 1634.2 874.39 1125.37 2383.31 1772.66 2193.75 1376.71 3174.6 1950.1 1891.86 9722.15 1640.19 1206.06 4049.62 3748.39 4650.26 5994.64 11242.77 9390.54 6481.15 3023.73 7321.76 11921.15 10167.86 11054.36 8406.36 3690.94 9194.38 5209.23 487.65 8963.09 9937.77 8145.9 6071.17 3405.98 6901.94 8161.97 6226.94 10421.96 6814.81 5629.22 8944.67 1954.01 7043.73 5546.02 4302.6 12013.09 7219.56 8723.14 5792.96 19472.19 4631.25 5402.65 5434.44 7393.47 2603.88 6175.4 2506.26 2707.68 2528.38 1988.75 1935.21 2659.99 2480.23 2752.07 3555.81 3134.82 1930.85 2205.31 2892.71 2566.66 2552.46 2818.91 2953.05 3039.32 2701.46 2657.16 2803.97 2915.97 2721.66 5233.17 6141.38 5330.18 5706.4 5718.51 5801.06 5499.85 6243.71 6141.37 Methyl dihydrojasmonate 5465.51 1445.4 2004 1190.9 4244.92 2025.54 1554.02 1361.12 1058.91 1512.32 462.12 943.85 1450.83 2437.4 1107.23 1891.09 1639.46 3117.48 1065.81 6496.33 1198 990.44 561.41 1471.09 1892.06 463.99 985.81 967.76 870.17 7994.82 1535.96 2037.16 1371.48 2051.05 2135.22 1810.1 2417.62 1316.98 1161.45 2918.69 6657.83 1118.41 1529.86 2613.86 2550.88 1040.44 3290.54 1237.44 6247.32 3412.68 1314.75 1169.54 2269.13 2129.87 1521.47 1941.43 1264.23 1582.18 1806.05 1900.51 1968.83 2239.22 770.99 1072.98 666.25 1696.91 1383.94 1021.12 2271.69 2109.64 1553.35 1390.04 521.88 3266.23 2975.14 4078.68 3763.81 3849.86 3460.83 3860.34 3860.99 4457.78 3712.91 3831.81 Carnitine C16:1-2OH 21211.27 18962 10880.94 16000.38 41705.9 15294.24 10297.25 15776.51 1989.24 3293.82 2623.77 14746.99 18238.65 14917.98 19257.53 801.08 10067.11 11392.47 9328.69 3255.79 11728.93 515.49 4531.79 908.01 17640.47 19413.55 1686.98 419.49 2600.71 1011.05 3521.16 3473.64 1316.46 16832.18 10283 18421.67 18745.59 15668.83 7239.95 12946.72 7212.7 37530.83 9880.3 8444.55 5641.39 11926.9 2418.33 12269.08 5583.76 23273.82 45626.61 28094.12 12680.25 17024.67 22457.97 26645.23 12396.38 8696.25 15547 9026.31 7726.97 5378.99 22184.52 5353.09 2708.72 38648.02 17209.06 5427.45 5780.08 17320.59 6026.94 9511.78 5711.39 12689.18 11361.2 14685.99 14539.45 14444.3 14664.01 14663.84 14350.52 14353.66 14435.18 14390.38 Leucomycin a5 315.4 382.58 519.35 9227.42 807.72 6973.01 32234.16 8077.19 9879.2 3518.22 2904.05 829.65 2025.95 411.63 443.11 527.19 319.64 314.9 682.76 303.69 780.9 322.64 905.98 936.77 1033.44 662.61 898.53 1063.72 409.58 3141.1 456.95 18213.87 394.41 6712.31 4318.34 8108.18 7044.43 1862.03 4715.56 832.66 1598.66 12535.98 2660.48 1159.94 11396.3 1315.37 9061.92 5624.78 1647.29 8576.25 8317.25 7265.22 4085.23 476.77 3034.06 7185.47 508.03 407.85 11578.53 338.9 444.22 753.05 9280.67 1569.92 6053.24 9518.55 9892.39 1830.85 1055.54 6783.98 1690.9 4398.76 1585.96 2931.28 3911.91 4811.72 4781.69 5011.99 4808.08 4824.3 4056.2 5051.43 5058.59 5369.55 4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol 3061.51 3807.39 5506.35 3369.95 2602.62 1886.21 3280.13 4289.21 4167.13 3770.18 3164.47 3117.61 2541.48 3555.54 3114.97 4191.78 3158.48 2724.94 4198.98 3408.02 3667.79 3274.48 2548.49 4338.85 3434.73 3648.6 4394.78 4556.11 3682.58 4306.75 2604.81 3409.8 3146.56 3003.55 4235.98 3338.64 3946.59 3355.58 3989.64 3754.28 2929.52 2707.43 3570.06 4328.65 3157.65 2569.84 3564.78 3354.66 3107.46 3395.43 2473.7 4036.35 2988.66 4226.44 3736.83 3935.32 3885.96 4146.6 3777.97 4031.13 3777.74 4053.99 3711.93 4151.1 3922.46 3299.51 3927.02 3805.81 4056 2808.75 3769.78 4300.75 4778.29 4419.26 3495.08 3637.85 3574.05 3631.38 3628.54 3634.03 3614.87 3671.4 3575.06 3374.25 3-Hydroxyanthranilic acid 5352.14 1303.26 3202.16 8970.81 17282.59 19102.96 60945.65 7348.48 2485.32 3488.24 3146.3 1363.74 10344.93 4491.61 4360.86 7689.03 451.47 14670.47 2770.08 2706.4 6975.5 1594.82 4043.5 3679.36 5416.67 2128.23 459.86 2988.78 4354.72 6509.69 3175.55 9029.35 2379.33 8286.8 4703.04 1836.83 3498.1 3081.83 4268.14 4298.48 6893.11 16544.98 3381.28 3638.07 3850.99 10784.84 469.69 2544.68 2639.43 17452.61 8227.18 2555.9 3281.78 7976.87 10065.86 3262.24 2734.57 2958.05 5987.59 1852.29 2617.97 948.07 3730.28 3727.01 2587.18 8129.16 3188.11 2826.97 1876.93 2224.7 2064.08 779.17 3823.71 11244.91 5502.77 5047.11 5043.18 5119.34 4895.42 5185.67 5054.76 5117.81 5044.84 5123.01 Disul 100078.65 73222.43 76288.22 92091.1 41808.77 40383.41 55071.5 96184.8 60175.06 63399.95 93301.91 51539.5 42099.38 67091.78 52544.68 53355.77 54428.2 58122.66 51997.15 50187.92 65095.66 45977.38 50395.03 70332.84 77111.78 63435.21 68819.64 86739.38 87418.22 71904.32 61531.17 59481.68 40002.95 64440.49 70342.69 64945.67 75862.87 63149.63 76120.69 73593.18 53367.37 63042.91 74124.71 70441.32 63906.48 63088.23 55765.85 63834.72 58989.56 54000.3 61114.35 64578.93 66619.93 66599.14 83104.73 66576.21 72681.22 81400.46 61440.31 67714.31 105528.06 65636.99 67092.72 71512.63 72702.08 68793.98 59109.14 71703.56 75608.29 62885.77 69437.83 69074.76 73150.01 65521.57 67310.46 61997.95 62597.37 64672.15 61899.56 61737.01 63077.11 67435.43 62706.54 61959.42 Soyasapogenol D 3928.94 3569.08 982.06 3480.6 2487.13 846.02 4231.06 2800 1549.06 4569.5 2341.89 990.53 1671.18 2553.1 2840.51 735.75 2222.39 913.11 653.55 950.09 954.1 2486.61 770.15 3192.59 2001.59 2504.32 1114.9 716.85 914.57 6433.77 2310.55 3863.78 2045.78 1723.03 2506.47 1530.08 2563.5 3253.68 3249.85 1558.19 3857.02 4483.96 4526.34 2641.54 3714.26 2633.57 1704.22 2613.78 1877.65 3026.03 1198.99 1581.48 1513.52 2110.18 2436.26 1839.7 3266.99 3787.36 2151.82 1834.5 2260.1 4270.39 2966.38 2833.38 1390.54 1713.18 2867.67 2907.95 2789.75 4016.36 4509.97 4001.03 843.01 4631 3927.37 2030.29 1718.04 2227.74 1746.67 1286.77 1483.22 1588.38 972.88 1001.48 1224.85 601.98 1199.26 1467.04 1597.82 1242.35 657.11 1425.64 2163.17 979.84 1404.0 1343.78 1493.95 893.84 1553.98 1493.01 3305.24 3522.37 3544.98 3515.34 3518.44 2857.01 3514.13 3363.99 3533.38 6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate 3201.02 1850.08 2418.72 3046.16 5220.75 3128.38 2513.36 1842.61 690.76 1071.66 3049.27 758.65 3783.22 3099.52 1918.5 1194.86 1715.35 2757.33 2178.11 3272.02 1288.49 902.5 2436.76 2097.47 897.37 3322.55 3167.8 4913.54 940.51 1589.95 3214.24 4854.55 589.51 5309.91 4853.91 9384.03 7060.63 8197.95 5661.04 9191.99 7535.16 7147.31 6778.89 7016.77 13126.16 3448.15 4023.96 8254.82 11956.18 10895.78 7117.8 9777.32 4229.83 2691.51 2503.69 1186.73 935.92 1294.86 1050.97 720.9 3331.97 1890.41 1960.23 1925.6 3331.98 2211.93 2818.93 5260.64 5315.5 1643.44 3704.21 1448 3780.91 5212.28 4437.89 2337.85 2857.69 3064.65 2719.1 2837.47 2819.14 3062.08 2870.44 2936.83 Fexaramine 5720.76 6968.46 5290.7 3249.73 7296.01 15251.99 4313.49 7221.13 7936.26 9119.92 5639.9 4000.62 1345.57 2133.67 3853.8 7780.42 2743.15 6160.71 9148.75 8998.89 6017.03 1664.49 6785.28 6358.03 7745.77 3009 6938.42 4152.79 1499.54 2612.28 8216.46 2020.48 7186.09 10277.48 6974.68 6000.52 5586.55 6685.13 9218.14 5477.58 3973.24 2576.9 3925.86 5805.99 2151.34 8681.46 4062.56 2951.18 1836.52 2804.63 2080.84 5402.61 2300.45 2111.6 1646.58 3921.09 2678.56 2103.37 1487.91 4860.9 5467.89 4968.93 6123.58 4976.41 3254.87 876.69 7572.3 3968.65 4966.93 4268.15 4960.86 5362.16 4063.81 3658.84 2549.95 5816.43 4633.97 2668.89 4676.61 5028.16 5033.15 5042.21 5070.84 5047.33 Digoxin 486.03 702.19 1134.84 11078.39 839.39 533.35 2309.11 4902.5 4902.2 391.77 2018.15 1188.24 689.83 389.34 415.53 723.73 359.65 780.01 3337.05 805.62 524.17 10778.3 8440.58 9481.34 601.82 784.07 753.92 634.75 1505.06 2186.07 661.39 521.28 514.72 4855.64 4046.29 3043.5 6320.14 5239.51 5029.93 2446.93 12899.86 7900.41 3376.33 3245.45 7566.34 4258.09 2082.47 2062.19 1830.24 2730.8 5448.77 5045.58 2357.48 3098.68 5130.5 5466.48 2749.06 1529.23 4417.79 3811.84 3530.65 3149.49 4661.26 3303.27 1668.87 5971.56 7882.84 3318.27 2069.75 4823.99 5675.38 5384.91 3896.93 2899.42 2838.04 5505.11 5232.44 5887.33 5502.52 5506 5336.01 5330.32 5496.08 5418.58 Pseudoisoeugenol 3084.23 2686.92 2213.29 14307.54 13108.3 14375.69 9958.9 1576.17 3123.93 855.44 1024.44 568.88 3888.77 471.75 1510.48 975.85 1907.32 1769.03 2385.55 1851.55 935.33 1782.54 1349.03 1627.45 1619.71 852.25 1477.76 510.96 811.59 1436.93 1145.45 1981.74 359.97 2628.89 1600.08 1431.95 632.86 2197.45 894.09 1637.13 3868.36 3513.1 3282.1 1873.87 1417.1 3077.74 523.09 1828.52 609.53 2789.85 3203.28 653.65 1512.63 2350.08 1382.36 1141.94 1945.11 1572.22 1377.17 462.88 1395.87 1412.89 1401.34 966.48 978.21 610.34 583.72 620.15 1148.62 666.35 571.14 1968.09 1299.47 1397.67 988.65 2096.82 2300.68 2194.4 2091.09 2213.95 2225.64 2105.33 1724.99 2229.22 Scutianine F 2190.63 6196.07 1473.69 5245.28 10387.72 6176.92 1631.36 481.14 4428.94 8639.74 4078.1 2659.93 707.52 4258.47 4728.93 4054.29 2648.45 3870.29 3787.8 2583.26 2354.48 2864.28 2301.8 3065.24 6935.7 2569.7 1905.42 5061.28 1041.52 3360.14 5455.26 2714.21 2032.23 8682.17 3990.62 2095.84 4942.8 6746.25 6222.46 3687.28 2823.52 3458.58 2977.58 3511.02 2891.74 1806.78 2834.55 3625.59 3261.8 3910.94 3080.08 4706.55 3660.08 5032.47 4757.76 864.79 2707.02 2813.69 2071.44 4481.63 3436.08 4931.61 2781.87 1198.52 2336.49 3143.5 1061.78 5385.52 4418.89 886.08 858.79 4467.61 2104.74 4473.14 6117.31 4144.74 4726.02 4707.62 4697.92 4384.39 5506.52 3890.93 5211.04 4213.02 Pteroic acid 5528.69 6172.23 9709.76 8046.76 4845.03 5511.11 10407.37 4778.73 3066.54 4113.09 1703 4259.73 3660.77 5057.99 7806.99 2456.07 7019.99 9409.07 5835.27 3230.34 2768.8 3722.47 4258.3 4383.43 6401.62 1003.8 4066.83 2220.14 6639.99 3928.16 10188.85 5757.39 1691.09 5659.28 4555.46 7975.48 5596.99 1235.2 5735.81 7939.35 3482.12 539.21 5817.42 6245.87 3765.18 9739.11 7144.66 9459.32 1517.17 2197.71 7502.11 6704.52 4901.4 6541.63 7564.51 10009.98 9072.01 9634.36 6074 2275.05 5249.75 8288.55 5430.79 8539 3202.94 8727.78 744.73 2759.24 6508.72 8068.71 6331.45 5065.78 9302.28 8765.3 9916.98 5784.29 5902.98 5714.31 5744.15 5913.57 5748.4 5760.45 6189.28 5728.79 Cucurbitacin P 18079.82 26667.62 389946.23 35111.92 34142.52 69883.24 40454.09 27203.16 24174.32 31522.4 31905 33829.08 42626.78 39366.58 30460.92 38216.8 67073.93 42739.9 39763.01 25677.55 37954.59 26988.94 37777.96 29253.71 31070 35657.48 27546.88 31671.31 30833.22 24996.52 23012.69 126539.53 34713.92 44265.47 35808.83 19292.56 23947.53 61524.75 29493.5 28932.06 91547.1 47381.97 40117.57 29368.74 44240.11 36306.44 20086.13 10550.76 14222.3 62924.09 32421.37 31001.15 54304.07 73519.42 88926.23 45047.11 280993.84 92825.52 14807.72 38654.39 133294.4 32014.08 36274.65 72773.87 14851.83 32924.81 40519.46 39839.02 28464.44 17363.68 12791.4 14814.64 41934.85 127322.8 41912.32 53722.12 53722.45 52211.22 53600.04 53433.86 53697.46 52844.85 53723.21 54660.49 Quinquenoside F1 2411.85 805.67 1086.09 3246.44 2255.53 461.49 9037.14 5290.22 1435.28 404.94 1284.77 4872.52 6402.71 3886.37 13615.67 2202.3 6796.04 10732.62 3116.78 23468.78 3298.83 3059.46 521.55 587.11 2705.93 2807.04 1732.74 2279.43 1583.61 3127.07 8139.89 7051.55 287.84 3207.79 4517.22 6218.92 7342.88 1352.06 4255.94 2933.89 42412.94 17467.85 5856.02 1653.41 5046.41 5602.86 10807.25 4690.9 52020.38 11995.96 6501.26 7740.14 7391.02 7709.65 11021.76 3593.09 5816.62 3792.48 5569.27 3424.97 5585.53 2860.52 9596.1 6989.78 2864.35 12092.66 6408.43 4904.98 1402.36 10140.77 3510.84 4747.09 36089.43 33031.58 24602.67 5721.48 1353.66 1275.92 2071.47 2376.55 2913.92 7542.48 5985.31 6305.49 6613.68 6017.18 4217.58 2383.38 3242.5 2105.91 5404.73 6030.8 3577.82 5253.28 6653.62 5392.42 12594.28 11988.47 11954.47 11020 11676.16 12143.53 11204.72 12651.36 11211.06 Eudesobovatol A 4953.39 6136.45 6622.87 10288.59 8146.08 4912.87 7297.77 7520.85 7555.5 10406.7 7700.34 7514.23 7150.66 4340.81 9304.14 14680.19 12806.19 10086.27 12014.5 7229.83 8064.49 8906.78 7845.12 8552.52 6972.47 9360.19 4594.33 8071.08 7140.72 8596.88 5929.53 4917.6 10699.89 8614.68 8940.51 7238.17 6907.69 8736.87 6999.53 9176.04 8540.54 3473.89 7455.08 8408.87 4996.99 10692.01 2093.24 8538.26 6130.26 2390.56 8400.98 8382.96 7953.35 9883.22 7322.88 8254.19 9575.37 7563.86 7130.89 10734.27 9048.58 5889.85 6716.93 8803.75 7472.51 5822.86 7170.49 3808.99 7369.39 7790.38 8278.54 8307.27 5654.07 12244.68 6936.54 9266.8 9263.56 9353.11 9366.78 9643.62 9403.83 9409.57 9340.61 9263.36 Bruceoside A 255.58 1058.42 283.53 3167.68 205.87 33379.59 4549.76 456.88 1184.66 1446.45 585.91 329.63 1306.14 531 328.63 1000.02 1507.16 446.49 325.5 862.59 878.32 12915 290.99 452.46 916.22 865.58 555.69 1335.01 191.68 201.29 703.63 209.76 1834.15 1515.71 2504.84 496.97 416.55 15773.36 248.31 442.19 484.93 2500.7 612.55 167.29 947.52 1710.16 1134.59 243.34 787.76 583.77 1699.44 358.46 164.93 803.78 467.95 682.81 3437.14 2482.26 829.97 13073.57 468.24 424.48 1993.66 568.11 837 764.56 887.07 156.87 429.52 966.92 1763.36 6083.43 307.41 737.12 789.75 2465.45 2603.63 2590.82 2521.15 2710.76 2623.75 2373.07 2597.81 2388.57 Rifabutin 14956.72 9071.57 4867.7 6554.9 935.65 1707.78 18804.5 22168.97 1280.96 357.05 6225.92 908.91 1076.99 506.59 929.53 509.3 412.53 717.62 1537.08 666.38 666.25 338.32 7822.23 402.97 321.69 325.68 387.69 402.91 811.3 347.15 9418.25 695.93 636.64 20216.41 12099.36 7936.44 17863.36 18776.98 16732.3 10079.2 35334.96 28401.35 9652.01 9031.49 27178.41 12075.13 8726.63 5961.83 4743.95 5274.72 18204.4 21274.82 10130.32 14978.43 15060.9 14903.68 8978.54 6661.68 17590.74 13830.19 9199.67 15702.21 16295.81 12097.79 7075.19 19106.86 23449.52 9742.42 9341.37 17248.62 19702.97 19661.48 12244.01 14927.2 11907.42 15421.4 15732.59 15732.37 15673.73 15489.17 15698.42 15520.71 15739.44 15591.77 1,3-DIAMINOPROPANE 3970.1 3210.35 15165.64 8843.68 6199.59 3566.26 1217.71 426.29 750.84 1192.26 7377.9 5752.28 11751.44 5554.12 5385.16 8529.33 4933.83 2675.71 6429.19 2087.22 2181.18 2304.06 3777.14 4051.08 3729.84 3195.86 5019.39 2781 3093.58 2893.72 1956.37 2682.44 820.07 3602.54 4232.37 3391.8 3924.35 3958.82 5732.48 5976.8 2657.32 4023.41 9508.76 9853.84 4693.93 5443.93 4195.39 6246.52 3461.45 7608.55 2917.7 4511.36 7240.23 13046.1 4171.62 5952.46 9033.88 16446.55 3320.38 2345.98 7993.61 4278.94 4424.9 6973.31 4722.05 4050.11 3086.91 9118.04 9749.93 4263.27 2611.8 4271.21 4781.52 12377.53 6794.96 5514.48 5452.34 5705.78 5686.03 5461.06 5265 5457.88 6091.23 5441.56 Diploptene 18762.67 11997.98 4343.36 13820.09 24455.71 30300.04 20616.05 22017.39 22558.13 14808.43 10925.99 21891.21 20649.01 10681.7 27595.32 32023.27 3365.36 12145.14 15825.02 17970.54 17055.6 20248.29 22754.37 14171.46 22334.44 21771.2 12896.84 8969.53 25077.86 14805.28 18951.38 33644.55 10164.88 7630.13 12535.47 17203.53 26395.72 24262.27 34373.57 11803.75 14583.74 28508.14 17351.38 9412.22 15617.13 7864.32 28005.09 26453.87 13952.92 13923.89 18541.14 12412.05 23915.98 14612.48 18911.11 19073.88 4845.5 3684.75 12621.36 22414.75 8795.42 10312.73 20803.54 8773.23 8463.87 31087.26 35552.13 15723.02 13293.07 26164.52 18778.38 18360.78 16969.43 7132.4 12444.38 19704.89 19702.57 19665.86 19450.88 19575.05 20075.05 19576.7 19574.67 19706.97 Solanesyl-PP 1243.14 2565.02 831.94 1245.19 1854.89 18424.42 4376.94 3451.55 3689.56 1718.28 1300.4 6808.43 1721.15 1152.32 1151.99 1516.93 1673.37 1374.31 1807.53 1176.54 4572.25 2860.68 2024.93 393.73 2735.8 2435.76 1317.48 1275.05 2110.26 1813.26 1589.24 9176.84 1161.7 3463.42 1066.3 2033.14 1880.21 4749.51 1569.71 1527.82 8486.13 7213.6 5113.91 4405.21 13051.12 8941.35 4448.61 3574.82 17611.36 19398.33 8745.16 13878.94 3391.68 7558.55 3379.14 14806.23 3798.21 6118.58 1445.7 3782.48 3282.74 950.61 2840.73 3512.22 3807.11 8997.26 11584.46 2042.14 4157.01 1242.97 4211.52 1137.57 1997.09 27742.38 11181.03 5266.63 5759.83 5155.7 5334.28 5295.44 5447.85 5560.59 5671.24 5575.67 12-Butan-2-yl-19-hexyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone 531.28 895.07 368.44 3085.78 4454.47 376.84 935.72 7486.3 4855.3 4961.92 2156.67 2049.86 1162.99 940.07 1859.29 1295.85 1334.22 1644.66 1190.7 1789.66 1785.9 1000.66 2663.44 9611.95 887.1 890.71 1136.07 1216.5 441.38 6185.48 911.69 1419.49 3718.23 6062.72 7801.62 7625.12 11305.27 10348.67 7195.87 9399.96 11104.85 12642.55 7235.93 5920.19 6336.34 10194.35 8380.94 12027.27 10305.85 4457.11 8344.23 7516.69 7607.79 5914.75 9109.77 7752.55 10000.61 5157.52 2980.67 8178.82 7390.56 7751.19 7711.58 7589.59 7462.59 8575.73 5983.05 10644.45 9017.61 7794.48 6359.38 7657.41 4621.08 9672.16 6074.77 8683.1 8286.41 8205.54 8684.42 8734.7 8467.26 8201.18 8191.46 8592.69 Ciclesonide 1060.76 1458.35 570.99 650.98 1311.03 653.61 1153.38 1316.35 453.34 510.93 923.96 963.81 1118.86 389.78 1012.25 1141.07 974.12 1683.85 876.43 2148.52 1180.16 432.36 1371.79 458.83 841.91 503.56 478.74 630.32 438.29 1415.67 1100.78 999.15 1563.65 1089.2 826 1221.33 1397.39 1080.69 439.07 984.33 1352.87 1404.04 949.56 1257.92 1465.34 683.76 1531.29 1143.6 1447.96 1872.94 1197.92 649.91 630.6 769.74 500.17 988.06 1484.61 855.52 1681.37 874.75 1047.2 787.48 1161.3 1616.2 643.55 683.87 841.02 683.88 985.38 820.24 1113.28 989.5 1266.56 1800.11 1307.07 1463.37 1430.03 1452.98 1423.92 1379.7 1399.67 1492.23 1336.62 1424.65 Citronellal 245.68 262.87 4212.83 3993.05 5915.26 8810.73 9505.29 289.56 240.21 848.57 428.61 345.56 2648.25 257 265.15 528.7 1133.81 215.9 522.62 418.39 221.72 8524.82 760.72 273.48 212.04 425.68 222.03 687.8 400.71 1163.14 567.23 1620.12 768.69 479.55 967.84 553.05 844.03 496.74 211.38 296.16 2612.79 844.34 261.72 944.11 719.25 3990.47 700 457.56 1106.94 1137.36 1015.62 849.52 298.01 2544.1 575.71 884.67 455.15 855.65 224.36 1334.66 282.39 557.04 967.25 1828.63 254.82 1098.74 260.06 826.59 1013.76 225.3 819.74 953.28 1168.8 576.33 429.68 1841.04 1788.92 1765.58 1850.52 1623.2 1971.78 1774.3 1900.28 1769.13 [2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone 2994.17 2092.24 9624.78 6499.04 832.91 5626.49 17780.44 1245.42 8937.18 19292.11 24587.01 6705.45 11292.6 12932.18 685.08 5523.68 13143.64 4213.05 9744.22 5459.02 16624.47 12864.89 10333.68 1273.54 14746.68 2546.83 9444.14 7014.37 5540.35 2537.7 3906.38 16164.85 6794.08 14051.58 10952.67 7853.86 11945.59 16481.45 3099.42 9397.62 21205.41 3717.68 9678.11 42938.55 11472.3 14412.18 11996.52 1422.75 8196.65 14208.15 18854.79 19604.14 35735.01 4039.27 2196.17 16537.8 40267.7 3675.48 68027.45 2190.36 9606.26 3643.56 24787.69 21047.68 25550.54 20182.68 64583.27 20758.34 13808.65 5778.01 12412.37 17708.63 8479.48 34839.25 16512.22 10871.19 11203.7 11146.33 12314.8 13195.33 6435.59 11868.86 11990 10743.44 10,20-Dihydroxyeicosanoic acid 5870.53 8812.67 4834.32 5721.97 7752.85 17611.1 4771.18 3047.02 6935.78 2966.45 1564.42 4983.91 6583.03 4847.98 10681.32 18767.79 10404.42 10384.47 18301.48 11859.87 5854.85 2820.73 3966.34 2834.38 4804.89 15166.81 3826.32 2617.48 3638.5 4363.1 6007.08 16304.48 3744.88 352.34 4072.36 5826.85 5220.56 1883.37 845.73 4843.49 19186.45 9994.11 3091.13 5318.18 6498.42 7163.89 7888.75 8072.68 2449.24 44224.45 2271.58 3296.11 1123.24 6704.62 8259.81 8395.31 4259.16 2736.55 7124.91 5523.88 5592.27 4085.51 4055.57 3334.44 1794.59 5088.22 8172.68 6749.85 14981.62 8460.73 7914.15 5858.89 2844.02 9730.24 34937.66 8338.91 8448.63 8337.98 8339.18 8499.07 8615.67 8333.56 8164.61 8334.76 4-(2,4-Dichlorophenoxy)butanoic acid 728.72 1297.43 3638.24 8995.13 2022.93 4670.69 7092.18 1085.29 678.2 1153.68 2210.47 2151.75 8053.6 4271.64 837.58 807.99 4003.72 998.82 4288.02 918.9 869.04 10977.09 4671.01 2758.53 632.14 749.95 2269.32 1879.15 1755.29 11892.48 372.51 17498.76 1192.05 3473.98 8861.78 1421.4 664.01 2171.05 6669.06 1496.52 9814.02 2926.63 6575.87 3112.34 1342.07 8882 2697.69 1790.91 831.53 1720.42 1117.19 852.85 5595.4 7201.91 5443.37 1282.28 10011 11936.76 385.1 6994.21 2473.41 5367.39 485.96 8059.16 1164.25 854.72 664.28 1485.55 2534.44 2269.31 1430.26 9487.75 5582.26 8488.74 7249.37 62929.46 115948.55 58476.06 58619.08 60950.59 58220.7 57697.72 57649.38 68110.79 57344.74 60498.98 57440.16 58948.19 56936.98 60530.57 68878.67 59600.89 57055.88 57875.77 61185.63 56036.09 58578.99 59035.83 56339.17 57379.3 3476.1 3823.06 1783.77 3690.62 3487.46 3439.72 3483.39 3460.79 3690.02 Protocatechuic acid 2998.26 5572.13 4121.24 3969.01 5274.98 6247.63 5426.67 4155.73 3446.27 5165.99 3051.58 4726.62 6242.16 4951.57 6027.21 4978.27 4868.49 4204.51 6725.57 2304.71 3403.32 4074.99 4274.71 5640 5190.08 4094.67 5308.48 3783.25 5140.65 3841.46 1890.59 6472.78 4913.73 4573.83 4723.85 5198.19 3366.96 4416.45 4405.92 5296.93 559.12 4256.54 4833.16 4101.53 4373.25 3013.34 4687.07 5877.35 3890.46 5730.29 3551.76 4879.89 4892.06 5012.08 3723.14 5200.63 4703.74 5187.07 4221.43 4405.76 5283.85 5731.06 3203.66 4343.37 4134.2 5805.81 1257.05 5571.41 4282.01 4075.6 3213.95 4330.51 3933.36 4900.06 4457.99 4603.68 4419.5 4416.99 4418.62 4415.08 4415.96 4557.09 4493.03 4491.71 1H-Indole-3-acetaldehyde, 5-methoxy- 3728.95 3626.89 4098.15 3618.1 3921.28 4595.85 5509.24 3155.12 2936.75 4542.24 3687.43 3872.3 3601.99 4186.64 3692.92 5128.15 3543.66 2778.38 5325.12 2928.75 3198.2 2696.47 3513.94 4979.31 4453.39 3622.52 5359.38 5524.14 4628.06 3791.43 3818.43 6862.83 2514.72 5108.56 4134.15 4029.22 3680.92 4067.79 5148.37 4658.03 4799.25 4397.81 4981.48 4366.93 4012.18 4187.42 4045.06 5131.64 4803.95 6511.96 2567.47 2931.66 4150.36 4276.57 2444.28 2895.53 3482.25 2924.98 3088.09 3193.38 3794.02 4053.67 2831.16 3951.1 3607.11 4011.22 3472.02 4353.96 4041.47 2653.54 3756.28 4986.08 4411.91 4286.21 4712.21 4087.82 3862.71 3777.57 3847.69 3772.37 3823.49 3511.26 3779.08 3919.54 Paraxanthine 217.31 10.7 64.18 10.16 247.57 228.13 622.21 64.33 10.16 10.32 9.34 464.9 264.58 8.47 10.25 655.82 10.24 11.12 10.16 21.6 134.65 10.19 14.65 54.14 10.19 62.43 283.36 69.16 10.16 11.87 10.14 10.16 10.23 50.85 145.51 11.68 11.28 10.17 130.94 52.09 10.09 79.95 60.15 10.16 10.5 707.05 11.55 10.62 88.24 10.16 55.57 273.47 394.84 102.87 10.16 10.18 157.7 10.28 176.56 86.08 10.22 911.7 10.16 9.94 10.49 10.23 10.07 9.5 10.1 10.23 11.44 10.39 10.04 58.46 375.15 1730.73 2685.75 3849.23 4246.21 4268.65 1290.88 2714.61 2891.1 4216.2 5574.63 2572.49 4901.61 3040.45 2777.47 3469.77 2624.11 2886.85 2685.86 1354.07 1184.21 3363.21 5426.98 2614.48 1232.02 26.42 104.8 113.44 105.87 112.71 112.43 113.14 99.87 114.68 Phenyl acetate 5106.98 8237.71 13188.46 12439.06 1950.3 7212 1946.02 2681.57 3558.95 8336.99 3008.22 3532.94 5471.68 3787.04 2343.3 3168.69 2596.93 2658.78 2516.47 4774.28 2194.39 2984.44 4978.38 1446.69 1527.56 485.88 2936.78 3448.55 2548.34 1865.9 3143.94 1585.1 2213.59 21032.9 6004.37 2140.9 1955.52 1337.98 893.87 579.77 859.02 1156.83 852.41 1354.06 2049.27 2063.49 1543.78 3698.55 1046.06 2323.98 2757.25 19097.27 2764.86 3002.71 608.13 3605.34 8647.05 10013.66 2569.55 2560.92 4280.87 22243.58 2929.33 1266.7 2926.63 552.86 694.65 2487.78 2588.39 2943.9 1499.82 12210.53 3754.65 5242.67 4419.6 3558.38 3215.26 3326.66 3332.86 3329.29 3328.7 3220.42 2465.08 3291.8 Kudzusaponin SA2 974.47 258.36 343.24 512.5 1317.32 413.56 704.64 3865.84 377.59 3915.33 2040.3 397.28 3916.66 3086.84 1655.24 4051 2992.25 1513.52 368.01 513.06 946.34 1097.62 2362.99 4913.09 1478.85 515.86 2267.48 3442.17 1019.89 2735.91 532.03 4259.77 1439.29 9253.43 9906.47 2380.49 2817.97 2721.98 5227.52 6072.29 2983.82 5714.74 9102.45 5927.15 4619.98 9748.39 2013.98 5307.39 3032.6 7838.06 1438.01 2398.42 8681.46 11680.41 4648.65 2058.05 10764.35 7077.42 2924.97 3449.52 10380.64 8228.87 8361.48 12873.65 4701.85 2337.18 3399.12 5906.55 6257.84 1922.01 1575.79 5801.09 10538.51 9524.82 10722.86 7310.09 7376.2 7232.63 7224.86 7236.85 7246.28 7612.6 6865.51 7272.6 Hymenocardine 230.39 194.15 232.17 9060.03 26302.97 41127.76 25799.63 271.15 124.36 138.7 111.16 204.62 7637.47 58.14 537.19 1290.48 92.94 165.26 302.7 198.97 577.4 260.79 220.61 384.21 793.56 324.26 377.92 65.96 263.57 1630.84 410.65 79.9 116.78 124.08 180.64 409.16 211.06 283.49 347.89 311.95 10125.53 1260.81 406.1 204.88 263.95 18256.83 513.19 193.45 203.98 385.59 519.3 227.18 87.61 572.57 1527.13 145.31 173.68 362.23 271.08 468.95 114.19 437.42 416.18 774.79 334.39 401.86 619.69 258.68 108.6 567.97 231.94 226.1 308.13 517.95 1205.4 3132.4 3105.13 2204.97 3103.36 3045.6 3128.43 3503.26 2999.2 3006.63 N-Benzoyl-D-arginine 7223.97 7453.34 5606.81 6881.2 3673.33 11091.85 6982.11 8999.81 15610.91 3978.74 13027.83 16447.35 2467.68 7405.73 3329.44 16592.84 14573.11 7342.75 19561.52 22405.98 8576.7 8223.57 1054.64 8784.18 8756.36 11991.43 12647.92 5188.41 4793.79 15577.06 6428.18 25044.19 11012.91 8378.08 8747.83 10702.09 2724.37 8441.91 6273.53 24515.63 14997.78 13242.46 10385.72 7340.97 2048.94 9205.48 12346.06 21039.79 14538.56 20565.11 7857.68 8821.38 11106.54 27548.68 9499.26 1548.16 7995.4 7409.67 13966.78 9047.18 6142.08 5514.13 9513.19 27100.09 9324.05 26927.66 20356.22 13027.06 16733.64 15023.08 6568.88 9502.42 9330.81 30101.57 7982.29 8142.2 8236.16 7707.96 8195.92 7596.33 8419.52 5751.2 8258.8 8185.75 Isobutylphendienamide 656.53 1867.06 823.03 2387.08 2906.06 2367.65 2092.69 2871.1 3975.58 2913.85 1462.72 4563.32 3247.15 1570.4 7137.88 3606.23 1499.31 7377.46 9363.58 4878.25 4973.81 1308.19 2460.37 692.29 2472.97 2474.32 2261.16 1734.36 4031.65 2357.88 3238.06 11214.37 2246.13 3012.26 1812.91 4188.41 4646.16 2493.11 570.19 640.22 3068.59 3003.43 3759.6 6046.56 9301.03 1910.32 2630.86 1348.83 2011.34 4127.93 572.75 4519.5 8013.47 3412.51 3641.77 1140.69 5847.08 4053.01 3082.59 1565.7 2162.63 2492.46 1631.71 1762.56 3788.94 3782.88 6321.26 696.6 2143.68 1862.7 1325.38 2982.3 5087.11 523.4 3935.92 2931.56 2951.74 2880.82 3035.14 2954.77 2937.43 2748.92 2889.91 2936.39 Chikusetsusaponin III 1761.77 8352.04 2326.47 2853.71 2819.08 9433.03 8731.57 7403.73 6970.55 6797.8 2646.01 3703.86 589.66 5395.03 3551.93 2393.39 3834.49 2638.3 1477.02 2661.76 5648.77 6338.9 401.58 1578.23 2374.01 3953.67 2660.58 1056.64 4585.91 761.96 5404.91 4862.95 5669.43 3736.15 4360.47 11178.76 6473.87 5866.07 3510.72 4154.67 9166.05 8181.08 3684.81 4170.4 7205.35 4856.66 15725.27 6162.56 6109.83 9608.39 5459.73 5825.19 3498.55 4941.6 4644.55 5517.59 3327.76 2373.98 5891.03 4447.19 2867.04 3499.76 5354.8 4081.07 3069.75 5660.89 8319.27 3471 2116.44 6016.87 6974.95 5645.88 5124.39 4289.13 5464.74 6574.74 6574.43 6564.89 6678 6620.81 6677.52 6686.06 6524.79 6610.51 Fosthiazate 5465.44 6107.25 2310.5 4995.38 3811.37 6762.24 3573.36 5759.79 5843.09 5255.86 3656.99 3289.96 2912.77 3137.84 4697.5 3588.72 2203.01 4526.03 3142.17 5933.13 3758.81 3611.41 2844.72 6034.95 5568.43 5519.53 5060.85 3863.19 4936.2 3328.15 6076.35 4186.78 3271.8 4338.84 5251.1 4014.36 5448.94 5669.94 3864.76 3920.79 4175.99 4972.26 3468.05 3325.79 5581.78 3684.11 5779.42 3826.9 2242.72 4322.95 4082.26 4113.87 3487.66 3251.99 3594.41 4815.68 2352.66 2240.17 4012.39 3630.76 3533.04 2783.68 4095.29 2772.77 2911.68 5409.67 5902.67 1864.6 3559.44 4732.17 5227.95 5391.04 3859.46 3316.64 3365.9 4211.27 4200.32 4211.78 4049.37 4120.98 4122.74 4113.11 4113.77 4220.88 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol 23344.53 30590.18 27063.14 20402.07 38610.87 48461.05 16326.14 42541 25907.19 21957.67 27432.05 22749.9 29699.26 28267.47 25674.13 26835.99 27193.66 30146.41 32868 31859.99 45024.05 19820.11 17322.58 17975.22 21032.16 26671.83 20968.33 21985.39 29482.81 23913.45 34656.81 40761.96 16306.69 23715.47 19647 26434.99 24294.19 27062.45 23349.31 24055.79 35014.36 33076.36 30845.2 24009.4 33057.99 11868.8 27245.96 27930.06 20140.79 51104.78 31634.55 28909.22 27515.39 31273.99 39033.97 26033.13 27512.87 24254.91 26003.72 22208.77 24145.24 22657.58 26781.5 27051.5 25613.15 24331.71 36162.05 29864.54 23910.77 23770.27 28956.57 26634.45 23553.53 27067.16 24798.47 24600.74 26532.25 26244.66 26332.9 27049.27 26472.12 26271.86 26239.77 26535.06 Carolinianine 47377.25 44899.51 45871.95 43339.79 45237.31 31234.75 11018.65 15979.23 33793.14 29163.91 2851.82 13373.66 15289.26 27049.97 25081.66 23943.02 21814.19 23723.66 26037.08 21420.26 4143.23 10583.44 13462.33 39477.91 48221.56 41713.62 40061.72 43856.23 46796.62 32753.84 35600.52 36376.86 12631.24 41945.82 39490.78 44119.84 37389.89 19138.21 34210.4 30926.21 27154.35 30645.52 35844.81 32703.43 34039.26 26606.31 38073.05 32621.97 23724.94 29203.8 26618.67 28899.28 32003.23 25690.01 10752.34 33806.78 32147.26 27713.23 33076.39 21702.63 30621.82 31040.03 32232.7 30734.6 35039.62 35408.1 28802.05 40704.98 36596.11 38954.61 33422.01 33496.5 21968.44 27120.71 32760.26 33898.28 33346.37 33601.87 33301.97 33455.51 33339.26 33760.68 33338.11 33473.54 Psoralen 1445.28 2662.22 2190.21 3097.3 2562.5 2723.91 2273.33 2448.17 1262.67 2616.27 1252.51 1482.77 3022.68 1880.23 2341.69 1895.8 1773.04 954.58 3319.34 684.49 1419.63 1091.62 1084.35 3425.3 1768.39 1091.23 3217.07 2315.96 2750.98 2070.32 541.2 2526.39 1672.03 2650.09 2699.79 2496.91 1464.31 1874.69 2868.91 2405.24 1214.43 1173.86 2913.83 2217.8 919.5 1619.15 1260.69 3154.25 2217.13 1039.65 907.18 2282.48 2266.29 2029.77 1947.18 1459.56 715.78 1556.06 1724.21 1568.4 2701.38 3018.28 755.56 1798.78 1442.47 2448.13 1368.43 2289.11 2246.4 1092.83 1181.37 1742.38 788.03 2787.9 1194.77 1806.98 1823.98 1814.3 1806.97 1769.25 1942.49 1709.42 1732.71 1691.92 1,3,5-Trihydroxybenzene 8078.48 11265.22 9244.29 10087.56 10965.75 10812.09 10186.99 8619.49 7278.31 11509.02 5987.85 10218.84 11816.16 10146.67 12462.82 10245.25 10505.95 9274.72 14231.81 4876.65 7097.09 8450.78 8942.86 11681.24 10342.65 9557.77 11648.75 8778.24 11003.79 690.57 3162.2 12103.81 10525.74 9810.45 10082.87 11440.01 8985.31 9012.99 9869.07 11163.23 2919.69 7781.71 11148.5 7694.08 8837.4 7460.62 8771.17 12694.89 8496.19 11199.78 6021.5 9275.83 10424.31 10619.93 9050.43 11737.18 10602.41 10838.48 9313.08 9375.04 10787.92 11210.68 8123.3 8970.82 9037.02 11297.23 3058.7 10653.41 9626.39 8022.07 6548.72 9630.47 7573.97 11128.81 8224.19 9496.93 9403.89 9496.84 9497.43 9494.45 9402.43 9436.72 9575.04 9402.32 Pseudaconitine 401.05 16412.12 281.71 720.1 208.29 17542.74 2255.66 220.92 1039.64 1383.94 1371.25 1375.02 253.61 1634.92 318.52 823.91 563.8 2980.17 2218.53 528.72 1018.87 1395.46 1466.68 3550.03 843.2 3815.14 654.47 276.02 1000.3 521.02 609.52 990.9 728.73 2721.54 3771.88 5404.68 5689.82 4841.22 400.93 2723.95 2123.2 5523.16 1919.75 513.09 5700.87 2662.71 4511.95 908.27 2607.93 7426.13 9569.11 9943.27 2924.76 2380.2 3919.25 26287.43 6578.06 4431.9 6101.83 5073.64 3499.12 3778.85 26931.22 1811.01 2525.58 5810.74 1515.23 676.74 1483.72 5294.01 1841.79 1001.33 2098.37 3127.58 4025.07 6078.88 6224.4 6158.03 5868.22 6445.03 6071.89 6215.59 6212.41 6066.46 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) 522.06 1748.14 3527.69 531.96 4031.48 2931.49 4667.89 2449.53 1684.84 2679.08 694.89 12720.37 3514.02 2731.19 3342.74 6002.26 1480.52 2816.69 18184.82 3901.44 2621.96 3519.07 2607.26 3822.09 3396.9 1677.73 3451.91 5900.08 8155.7 2501.82 1498.74 11452.76 4949.53 2917.17 3320.91 6362.15 1016.49 2317.63 4079.08 555.91 2255.29 2563.85 5258.76 2171.03 953.31 2837.61 664.84 11181.75 13222.36 4180.19 838.1 1232.78 1148.51 1323.51 2303.8 4421.85 1951.97 1523.59 2352.99 1192.99 7143.43 3609.35 1014.2 1204.52 1718.22 4995.7 466.59 4472.43 2990.73 885.77 2403.73 2019.1 376.89 2929.34 2367.31 4181.08 4149.38 4277.35 4556.57 4131.86 4215.97 4177.74 4298 4285.14 Tetrahydroaldosterone-3-glucuronide 2978.77 2071.28 1526.09 992.29 13106.41 97695.14 30686.97 1645.15 1454.9 2048.66 1892.89 1214.52 1027.75 1485.07 2503.34 3698.09 759.12 2966.66 1342.36 6022.28 2021.6 2061.79 587.29 1591.5 1149.53 2540.91 760 1500.87 999.07 609.31 3326.2 43372.61 840.83 3190.12 3448.51 4458.68 2390.4 3752.65 5030.1 2851.63 8618.77 7204.22 4129.58 2785.12 6416.27 4398.57 4094.87 3634.79 5362.84 6142.15 4181.2 4506.2 4201.12 5436.52 6020.75 3970.68 3496.58 1244.91 4427.54 3554.01 2228.98 1781.9 3073.7 3105.47 3017.59 3273.27 5550.1 2659.26 3461.57 2867.77 4086.72 2154.1 3140.85 5039.29 4646.43 10146.56 11211.06 9751.06 9702.2 9736.4 10506.8 9415.21 9698.59 10009.53 Hoduloside VI 8683.75 7745.06 4654.32 3863.61 1805.37 9219.92 12842.04 8973.65 10970.22 8192.05 4569.98 7182.05 6939.35 7630.12 8404.53 9036.17 5115.23 8345.35 7124.46 12182.37 7819.65 5406.86 5030.13 5613.94 8000.13 9594.85 6569.12 5658.84 17070 10335.89 10218.15 19626.22 5066.58 4882.12 6259.58 12751.38 8186.84 7897.77 5588.33 5841.7 13784.85 11495.78 5468.74 4838.15 14826.98 6031.91 16922 8845.09 5612.87 12241.96 7241.8 8356.96 5341.22 5727.73 6788.18 7355.09 4632.15 4122.63 7387.59 6727.99 3012.03 3566.27 6881.64 4093.54 4262.39 7953.9 9406.33 5452.79 4869.23 8007.16 8200 8009.63 6536.61 6444.33 7520.44 9547.59 9438.3 9231.96 9551.79 10296.12 9551.86 9384.59 9537.11 9207.17 Deoxytubulosine 10334.86 8812.62 11303.7 9806.04 11557.46 11915.55 17953.21 33275.73 10436.04 9927.04 15152.45 7214.67 6399.49 11397.47 10369.5 8872.03 8417.3 8437.41 10349.09 10428.63 12256.08 6808.49 6924.99 10143.08 11146.28 9881.74 11454.48 10600.11 804.21 8781.02 2150.14 12234.68 6744.94 9655.89 9132.15 7279.98 9708.22 9804.67 9318.95 10364.37 9801.51 11567.57 9259.44 8924.46 10591.05 10842.97 8184.51 8671.05 11679.92 11159.41 9134.85 11530.18 8379.61 9685.02 14280.18 9942.53 9803.22 10510.56 9632.85 11945.17 11367.28 10334.35 8904.06 10759.57 10162.39 8799.67 8490.42 11865.91 10449.75 9286.06 9049.09 7838.66 10022.07 11087.3 9231.99 10527.8 10380.85 10378.41 10530.76 10927.52 10119.24 10372.17 10346.39 10536.44 4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid 921.57 771.82 722.01 504.56 767.46 320.37 483.12 1237.12 611.28 1020.57 1659.51 695.59 780.09 695.78 939.67 899.02 495.77 772.39 623 444.68 1119.75 639.47 711.16 781.43 735.96 437.99 545.19 377.62 771.89 565.6 859.18 486.23 542.55 806.17 953.82 622.63 848.33 1125.33 1041.86 629.12 566.05 652.8 884.59 967.95 621.88 453.83 648.15 575.74 488.37 405.74 334.85 560.8 726.92 522.59 579.14 638.4 508.32 863.95 680.71 593.47 898.45 430.79 614.68 533.95 786.78 677.72 761.44 696.76 752.25 738.39 801.39 900.99 297.53 781.65 478.42 1265.84 1218.19 1135.23 1325.99 1259.49 1274.56 1288.07 1262.08 1263.34 Thalicoside A 8868.7 2652.95 924.23 6162.39 4146.14 20038.97 20017.23 47959.16 128359.21 75451.33 83931.49 2313.05 25662.6 1385.98 4381.76 3218.2 2636.4 22751.83 4454.84 3900.94 37226.57 1197.74 1834.25 4070.91 1149.13 38875.03 1586.14 2573.95 10714.52 3619.02 14098.77 4414.63 1344.39 132849.67 29682.35 31016.17 39333.23 11049.51 142587.16 25847.85 15320.99 72361.83 26889.98 48632.53 94345.33 37518.35 31836.25 6812.27 170846.96 56627.09 133280.89 12547.84 24510.9 27891.42 32971.35 25118.09 4170.84 8132.68 12937.04 4066.71 49259.77 37349.35 65815.94 9249.97 2615.17 67090.88 18963.86 108194.18 19491.44 40947.04 90617.86 92588.75 36722.03 10812.56 70957.51 39279.36 39343.43 38767.94 38688.91 38335.86 38418.3 41214.76 38664.7 39313.79 Cudraphenone D 15424.15 17532.49 5814.95 9805.26 8045.36 759.75 3626.44 4134.71 5696.72 4475.95 7136.74 9232.78 8565.63 15935.62 6119.37 4044.01 5763.75 11283.47 4249.67 11365.29 5173.46 6237.48 5226.38 7080.55 5882.34 11564.18 3544.69 11494.37 16461.32 17030.99 18088.39 12837.44 5643.11 13818.92 7321.42 10742.79 5263.88 13299.12 7970.77 6974.53 7292.84 9156.84 3466.51 3301.62 9396.19 4026.98 5198.82 4132.83 6623.94 9531.27 8096.36 12845.27 5192.51 8940.09 3649.64 5288.61 1861.18 934.98 1397.59 1881.69 1810.83 973.14 4476.75 1439.93 2688.31 7844.41 11795.62 3261.08 5024.72 2497 5198.08 1658.16 4564.33 4967.49 4589.99 6227.86 6109.8 6105.18 6238.06 6427.24 6233.74 6093.08 6096.71 6108 Ascidiacyclamide 2098.02 403.04 945.54 432.05 1617.35 2001.8 13176.91 6860.72 6065.31 22065.04 733.53 1185.98 569.42 996.6 1239.74 449.52 686.26 1219.63 2349.43 2711.18 672.83 2842.98 312.32 1331.36 510 1009.54 487.8 2649.22 4278.07 1079.78 792.37 453.42 1692.97 6832.66 6962.89 11150.36 7344.85 19253.59 3770.74 8126.85 10721.73 13305.2 8034.25 12605.87 10647.97 9973.61 10197.37 8243.78 12252.56 10292.02 12620.34 11269.1 8691 3999.42 8216.29 15979.63 17795.51 2639.47 30190.21 5419.97 10013.71 5016.66 11837.54 2787.44 9689.87 16947.14 11558.05 15647.23 14413.09 2634.13 8210.45 15050.2 4570.47 10881.34 6389.06 12420.2 12424.76 12601.87 12121.79 12286.83 12059.27 12420.39 12160.69 12427.02 C51H88N4O4S2 712.33 1443.3 694.14 1633.56 987.11 1433.82 1762.63 2145.02 1012.43 2428.61 2761.07 997.86 570.4 1290.86 1215.75 2353.49 1013.38 1798.13 1142.87 1145.42 1472.29 1063.03 1613.02 515.95 1400.9 1082.75 1441.45 1165.05 1723.96 625.91 602.36 2980.49 1029.52 756.17 648.24 1690.9 2002.33 2006.54 3209.63 1305.08 447.52 2644.71 1986.51 2271.07 1666.76 2243.18 2054.97 1701.14 1915.67 1580.45 644.51 5428.56 2774.85 3533.62 2414.47 3932.04 4348.72 4544.12 4543.3 2101.34 2837.26 1311.07 2517.73 1871.52 3419.56 2059.86 4458.27 2976.68 3941.68 2417.75 2455.08 1592.77 1457.48 679.81 3466.67 2043 2100.14 2073.93 2564.19 2205.89 2045.16 1080.69 2201.47 2270.49 (3-Aminomethyl-5-methyl-cyclohexyl)-methanol 58511 51501.09 50987.26 51567.45 45732.59 43411.48 66930.37 110405.75 48858.15 51995.15 89868.28 44310.11 39244.39 50981.05 46630.27 46616.44 49580.19 50888.91 46689.61 49717.75 72579.15 40262.74 38892.8 53896.62 51735.09 55098.83 51524.22 55832.06 44878.1 50178.5 52262.6 49845.37 39897.66 49396.42 47878.06 48716.82 49893.7 50161.57 48302.11 49825.71 50828.58 49055.42 50285.31 51193.27 52810.82 47619.56 48283.41 47459.75 36129.16 46815.78 48268.74 45789.68 47755.81 45765.63 68420.12 49119.43 48934.33 47796.05 49782.64 47318.63 49763.13 46946.95 48411.47 48065.18 49833.84 50166.65 52569.42 49221.56 53961.55 47058.06 51045.13 49343.86 47080.68 42611.3 44888.58 11796.21 19466.76 10721.75 10813.91 10665.7 10746.17 10885.74 10862.34 10501.33 10853.71 10619.26 10834.72 10681.26 11988.73 11833.78 8984.22 10551.13 10477.81 10716.76 11210.74 10728.08 10558.37 10780.14 10634.87 10988.13 48718.7 48751.58 49159.82 49027.84 48719.53 49030.79 48171.95 50039 48643.39 Mudanoside B 124.73 91.85 91.84 131.51 261.93 161.96 208.41 111.53 108.03 62.64 179.27 173.58 125.24 140.9 151.94 139.77 104.17 45.42 67.82 141.6 93.04 79.94 64.24 99.31 86.69 121.6 100.92 142.31 231.67 74.68 425.62 303.89 48.43 107.53 72.73 129.35 84.11 135.75 84.12 104.48 493.04 52.11 61.95 59.13 76.87 194.15 66.91 51.04 93.34 363.52 71.32 89.01 70.99 42.53 122.77 101.73 143.12 50.34 102.74 65.85 52.33 84.03 80.29 48.6 83.56 57.46 98.67 85.52 78.36 64.65 64.29 70.5 76.49 92.37 57.3 1163.69 1143.51 1165.83 1208.3 1172.17 1196.53 1195.12 1218.69 1195.45 Cathepsin G Inhibitor I 5794.07 5843.59 3781.92 2719.02 6725.72 936.56 5002.64 6467.69 6441.43 1812.86 1887.34 6316.74 7577.28 6218 6905.27 8763.9 6143.99 10657.55 9670.09 11936.54 6477.69 499.21 2140.57 6582.73 6446.69 4628.69 3942.87 557.89 7960.04 6151.96 10778.99 12456.37 3294.38 2365.5 3696.25 8115.3 5302.94 1684.11 1768.78 5524.24 11025.85 8002.08 5729.65 4136.17 8144.34 4440.79 7761.23 4155.48 2104.25 17450.17 2049.15 4443.71 5994.94 6494.21 8458.31 6966.65 3877.09 5993.15 5439.73 3387.76 3804.03 643.54 7744.7 5411.55 3101.93 9259.4 7506.61 3388.93 6711.51 5665.89 4712.2 4694.37 6267.16 6454.22 7572.03 6747.34 6574.8 6861.61 6608.31 6588.97 7358.59 6901.33 6254.97 6700.28 Isonicotinylglycine 65053.97 7220.15 22446.25 7384.34 7279.43 9098.85 8707.61 43991.42 6116.32 10951.9 11796.85 8231.23 21577.94 7653.35 7209.34 12137.84 8274.56 32149.2 13157.93 30270.56 6890.46 10282.83 11282.42 8415.49 8846.68 7102.49 8559.99 10730.56 28970.55 9636.55 12515.14 39792.16 14991.27 11051.58 6293.84 29245.61 7648.07 18257.92 11886.5 21270.08 22742.77 9525.53 13287.15 10175.08 9472.4 9099.44 15609.03 29263.34 5863.86 44982.97 9443.26 8971.87 12838.44 5356.82 9619 12843.49 10135.9 5913.49 9267.51 7370.57 10725.73 11849.06 60986.24 24358.35 36612.61 8055.68 57520.05 5574.81 6673.04 29893.1 6807.92 12843.07 5913.42 11741.34 25976.08 133571.09 126358.31 133597.85 129137.27 127553.47 37608.31 126870.08 122433.65 113093.58 113954.44 121605.06 121777.23 113778.68 120477.43 112623.23 100666.13 114805.78 117377.72 113052.16 105920.59 108337.9 109068.72 116769.6 116458.81 103048.89 21162.16 15911.08 21093.01 26188.71 20931.62 24847.39 16948.62 29349.95 35488.49 FFA(19:1) 13080.68 6170.3 14245.08 15073.63 21127.73 14282.44 12312.69 521.09 11965.24 12516.85 9244.44 11595.89 10765.18 12206.86 15553.56 16544.66 42440.74 37392.53 14484.22 20814.93 10948.73 15977.44 12836.52 2662.34 11024.49 6769.61 9299.99 1719.96 1762.33 5181.38 17459.04 4668.1 8968.47 4678.97 5916.73 18823.6 4609.04 7431.93 13583.15 4423.11 13402.84 13739.92 7502.47 18642.22 12761.29 11071.84 9123.05 6736.63 8323.96 10962.01 22112.65 3081.62 12547.88 13926.25 24306.04 17488.58 21990.02 21973.95 30667.93 13309.02 16626.52 19167.6 15678.87 15218.23 20845.21 7519.83 17743.58 17538.07 8277.08 15082.06 15869.13 7991.67 8989.95 22667.74 16808.87 16566.7 17734.75 16089.35 16137.44 16050.67 15386.25 16182.07 16127.18 16566.94 Tetrahydromethanopterin 1840.84 1424.98 5211.63 2587.58 502.86 2540.79 995.51 5338.77 5139.08 2468.32 2211.07 962.48 1015.29 1715.49 2031 1533.25 2610.79 2920.48 3173.73 4399.25 2463.67 422.05 2379.09 1789.43 2614.81 1807.01 4001.91 1805.26 2634.16 1161.83 1520.96 3173.26 1463.92 3830.46 1266.27 1869.16 3841.18 884.38 1717.3 598.2 3348.34 1026.2 2120.32 1834.22 3401.19 4114.23 2490.62 1906.84 2588.9 2478.35 832.46 1627.31 1721.84 659.29 684.97 2034.53 1855.51 605.16 1460.88 4176.15 1249.69 1237.49 1146 1192.08 976.23 2987.22 1858.63 2115.28 1928.3 4321.54 2568.31 2482.75 1468.81 968 2536.5 2221.09 2723.04 3116.42 2952.77 2752.18 1898.96 2481.76 2782.49 2015.12 3,3,3-Trifluoro-2-hydroxypropanoic acid 346096.7 334840.23 367629.85 335910.01 355067.38 251482.11 208620.96 259428.77 420363.64 380644.15 116489.99 312618.8 343430.23 371911.73 360381.6 346792.71 319403.64 361584.36 363420.35 331210.52 218048.81 264512 317011.88 351848.22 374830.86 359210.76 362926.35 369642.24 385348.29 297465.54 308804.14 343812.48 306555.84 373160.25 340274.37 374436.43 348093.49 198670.71 319141.27 293336.92 279844 306850.71 365370.21 316292.09 353190.23 283333.25 376008.82 361864.06 260758.84 304552.74 283143.86 310816.85 331485.76 275144.48 179363.55 340117.68 332596.38 310162.04 332196.21 233680.48 309966.37 296714.7 312641 323207.14 347344.28 322180.04 277264 345403.98 328264.61 363054.47 312753.51 305474.65 202000.25 253436.48 306073.22 319808.15 319497.96 320600.04 320602.81 319665.24 319672.21 319674.82 320403.72 322778.26 6-Iodoquinazolin-4-one 27070.02 34373.51 10797.83 8554.83 19472.41 18276.44 5612.34 19127.57 14723.11 37622.28 14038.18 26092.8 13153.17 21182.92 18763.04 13359.45 11423.89 18033.49 21438.66 12668.48 11461.17 8161.04 11764.72 15234.09 22738.62 17831.54 17613.43 19817.83 23654.48 4783.52 19297.19 6416.15 12266.94 13646 8785.61 32147.35 17088.2 21495.8 20773.54 47279.11 21331.92 28518.58 14300.48 13121.59 19919.24 8665.36 13912.41 23389.4 54886.8 20864.21 30328.59 30559.02 18652 12919.08 21363.8 23603.92 7988.56 6717.19 13170.54 15253.41 19269.6 28109.56 13973.57 5078.78 7281.27 30956.23 29725.69 25157.97 35017.33 14527.48 10785.85 11697.09 14082.52 14062.11 7431.19 15744.7 15650.59 15628.96 15629.54 15945.7 15560.02 15631.52 15748.05 15745.8 2-(4-((2,5-Difluorobenzyl)oxy)phenoxy)-5-ethoxyaniline 14177.35 14121.61 17486.73 15969.87 20944.43 2348.55 19308.92 19651.83 21276.43 17393.07 16339.59 10544.04 16010.72 14713.89 18464.9 18669.5 14660.46 8820.62 29936.48 17141.8 18720.13 4722 19680.13 20710.64 22705.03 9592.96 21503.86 11546.66 17867.95 4044.86 7117.3 16988.76 12215.74 20863.65 19105.37 24743.87 16514.15 5215.39 16641.96 12553.01 11051.01 16174.77 17512.66 8535.08 16881.09 14740.46 19308 19048.11 34357.04 19733.54 17308.37 16814.92 16607.49 17683 21471.93 16113.35 15067.74 11979.48 12832.99 4597.29 18184.09 15529.32 27002.01 22246.36 11356.48 16884.26 11344.12 15336.98 7782.15 25915.89 18626.43 16831.1 16391.3 14143.71 15218.56 18577.65 19529.29 18646.25 18881.55 18609.18 18575.44 18575.58 18581.08 18773.94 1-Azetidineacetic acid, 3-((amino(4-(3-amino-3-carboxypropoxy)phenyl)acetyl)amino)-alpha-(4-hydroxyphenyl)-2-oxo- 124756.07 131309.21 193033.7 619.52 553431.84 2804397.71 442025.91 209448.62 18356.52 443352.82 158336.54 93632.5 173860.91 249776.45 20545.85 1169.93 207952.83 253421.45 262272.01 403136.97 203698.16 551678.11 7375.15 147368.14 83473.97 2682703.05 19550.08 5083.42 106417.11 527.85 91179.21 593.25 155092.21 33207.43 776.95 182152.71 238439.35 2748484.14 13633.6 4050.92 323779.66 77891.77 958 575.54 145421.97 183819.59 226696.47 4710.73 1241.78 6251.38 103577.93 11903.88 191507.31 1672.03 81761.71 185064.22 1110.99 2120.71 186943.83 2310272.17 5045.15 20497.36 19310.05 1924.57 4187.41 56096.18 11818.61 412.06 181844.54 167288.79 121157.36 496181.27 6423.65 1371.96 5032.04 218823.56 216338.06 216610.05 216391.73 214592.59 216597.89 215481.3 216592.97 216583.88 Potassium acetate 1257.79 78991.65 49502.09 622.81 84809.23 166650.02 60858.12 63838.95 51776.31 89674.95 134124.99 62242.49 27395.96 82297.25 106682.67 113409.81 91690.39 72695.22 79057.77 98944.03 38591.15 67628.17 53381.79 63859.97 79948.07 105086.35 69588.33 68328.27 85083.08 18986.37 105588.5 52917.59 94953.61 47814.34 74482.7 56261.11 99967.57 215279.35 80006.15 86073.54 82764.65 138910.8 82847.95 81905.39 101337.56 40189.28 77983.52 80965.29 112075.73 140190.75 112565.84 120651.78 76273.26 78922.88 51466.09 105596.6 28921.55 36076.45 105512.84 102254.01 74297.29 69070.6 97538.39 47556.3 81336.88 97474.02 85373.3 44325.76 66319.55 70250.28 111553.56 84970.93 127779.36 88295.66 54161.86 95271.95 93612.08 91420.09 91797.33 90032.05 87057.71 90505.99 90227.09 84781.47 89662.99 100605.06 87443.44 81657.75 88487.27 101379.07 96496.4 88927.17 84875.85 100985.86 95681.53 99469.78 78612.34 84713.97 80776.63 83019.28 83555.42 83184.52 83649.44 84038.14 83183.24 83179.21 83552.64 83437.93 83184.01 Manumycin A 7014.51 7342.63 6738.32 6299.53 6276.9 5853.86 757.52 4626.06 7564.31 8603.28 4009.18 4919.05 3136.44 10077.29 3687.75 7199.5 8094.61 4661.9 4138.99 1558.18 6327.45 7680.52 1016.79 3490.96 6357.54 1540.1 5354.37 3362.82 5271.12 4394.41 4088.25 2682.44 5314.03 1146.68 9191.19 1797.86 4640.02 9435.92 7424.83 4452.99 3349.28 3291.96 7786.88 6759.54 3232.08 5555.86 6805.08 5510.18 1063.26 2600.75 10845.18 5747.51 5971.61 6469.96 8012.93 7449.71 7729.9 6770.23 7525.96 1433.47 4372.44 6738.69 5542.79 5443.77 6336.21 1920.95 5009.84 1884.65 5112.16 5766.68 9548.7 2573.91 3984.07 2134.71 4151.22 4437 4953.3 3386.49 5128.67 5458.23 5067.78 5220.98 4949.93 4955.73 Tetragastrin 3255.33 16321.01 15483.8 35.59 35.73 294666.82 1874.95 17931.96 1361.37 13183.1 104.6 360.54 426.11 71.06 16564.12 12133.64 16510.13 88.33 20357.53 15482.27 44.15 10312.01 28 849.02 29.87 151231.03 807.23 472.95 12961.94 8963.14 32.38 754.04 28520.03 2060.62 679.49 223.71 157.11 125608.18 432.47 644.51 308.84 4452.33 106.01 139.57 251.32 432.27 389.6 877.07 247.55 1130.33 3026.97 571.77 151.76 207.38 2029.63 76.1 82.57 764.88 18343.58 248456.71 441.96 202.25 918.64 50.44 12551.79 2760.15 373.89 155.49 213.42 68.65 275.27 9951.2 569.89 187.92 88.5 2503.13 3689.35 5562.32 11251.69 4934.91 2658.7 4442.6 1814.81 1731.2 4911.95 2005.84 1850.24 3325.1 2430.54 1889.28 2824.8 4030.6 6164.32 2262.38 4255.58 4774.92 4991.99 5421.2 4204.07 2194.96 14863.01 14749.63 14742.49 14791.07 14803.88 14743.07 14659.16 14803.24 14742.1 Fenthion 19392.79 53166.16 37570.52 8249.2 17987.34 9478.85 3179.46 6151.42 3279.72 21722.56 1918.9 16627.94 43899.78 14578.29 6942.77 3372.03 3111.61 13323.45 20085.88 3658.96 18621.26 1700.88 12676.76 19496.37 26042.6 12823.43 23364.8 21254.83 19891.06 36769.79 16517.41 11114.92 1757.21 28101.28 3116.47 44923.56 6770.45 6319.47 25969.75 89189.34 23925.49 5227.39 11222.98 9423.38 10321.51 11587.88 4153.99 17118.13 19028.62 7169.9 9153.47 10168.94 13799.82 2911.22 37841.09 11706.75 21298.24 10575.35 1526.54 7602.24 18327.48 41826.36 2162.43 8016.71 954.11 16118.55 19365.69 31153.17 68653.55 7373.55 7359.56 3662.29 2796.44 6613.81 2901.55 8509.85 9362.35 8447.74 8128 8067.32 8525.76 8102.08 8558.7 6650.66 Loganin pentaacetate 13447.19 10086.37 3170.91 4043.08 12378.54 10878.43 8065.22 16501.56 20221.58 9644.62 10048.71 7117.92 3561.7 5696.64 18917.66 11686.89 6811.29 17445.85 9176.31 23900.23 12542.78 6346.13 3994.37 6528.33 14349.95 13464.63 7380.85 7657.32 18060.81 6468.78 17385.83 8377.37 12872.69 2835.99 6454.48 13251.87 18283.06 11307.6 5875.6 8773.51 13692.31 13551.82 6759.78 1719.46 16091.89 4668.07 21214.69 11408.06 7447.77 15786.26 7838.54 10358.29 5007.98 7190.18 12354.63 8924.29 3648.76 2410.83 13296.41 4040.04 5366.49 3084.23 10676.17 7428.67 9764.54 10166.1 14565.05 6736.82 12226.94 16388.26 19237.28 9778.41 12952.88 7551.06 7766.03 11192.37 11207.22 10020.26 11466.97 11952.38 11197.99 11476.06 11338.49 11186.05 (2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one 11393.08 9651.86 4112.59 5604.42 11762.35 4064.53 20689.91 463.91 17437.64 14317.57 4081.39 3303.33 1032.75 906.75 831.1 622.69 415.68 1074.87 1612.76 4008.87 10029.25 1703.53 1199.87 499.4 9835.83 1006.18 5994.56 15767.62 635.79 2662.15 8366.21 8149.96 13997.16 14272.14 10596.93 9493.43 3659.07 23896.48 14220.89 8329.39 30414.79 37744.85 11971.52 9123.4 16924.32 14720.65 4374.03 3925.61 3566.36 7510.23 25457.56 23925.49 10766.4 15179.37 21441.74 28156.36 13119.82 8881.48 14273.67 10032.39 13310.78 17034.64 21859.77 15811.75 8794.83 20685.31 30307.78 11865.74 6878.93 10642.85 21850.46 10204.86 5751.24 15088.22 9146.69 15330.76 15580.95 15592.44 15345.2 15598.63 15066.69 14241.28 14015.66 14398.27 Methyl 12-hydroxyoctadecanoate 52011.7 89748.42 97454.12 114124.24 98786.08 66566.34 52709.21 55491.77 60848.49 24790.49 16779.93 55872.61 104703.26 67792.95 82294.53 109846.32 119208.66 89413.79 88996.06 120056.05 72772.97 62976.24 38103.68 96700.13 52722.88 48997.73 21474.31 6016.94 66114.92 43658 70450.21 90386.84 30595.57 28618.53 55262.81 56750.05 49063.91 26911.66 23035.57 39371.89 82954.39 103056.14 72268.86 70207.99 109167.27 76152.26 101884.48 59372.75 22047.74 69990.27 24339.21 55715.82 49050.4 60718.36 74975.14 94824.01 125717.09 89675.94 38326.63 73220.57 88646.16 37309.05 118153.5 49308.15 39716.64 133669.48 82995.56 37410.45 61708.48 60111.44 30721.6 53069.33 31973.41 77021.34 62954.94 78075.29 84140.67 83214.19 84518.76 84073.29 84111.02 83247.74 83253.5 85763.54 C20 Sulfatide 27695.06 25809.7 719.75 986 2221.98 1143.85 16495.31 44125.68 1071.38 961.36 2352.85 753.92 23826.71 500.74 773.74 1291.56 32496.9 27030.23 1895.94 17395.1 17332.68 3856.02 3264.35 28815.45 1027.89 1874.87 448.92 3730.93 585.52 889.69 1243.31 19381.95 991.61 88886.23 103014.25 44896.29 72141.14 49014.03 50874.4 87160.26 14919.11 32852.64 69339.69 99092.76 20067.41 24344.05 55302.58 50637.48 20657.42 24479.85 35877.15 61681.67 55433.29 32525.21 50017.98 85641.47 104791.96 111004.46 48384.94 40604.82 91513.23 38489.68 129483.63 58299.13 58172.63 45107.55 40719.76 48970.27 49016.38 63730.83 43514.72 22911.99 74542.87 66400.69 48416.16 49098.39 48797.68 48794.69 48798.34 48585.45 49017.73 49106.8 49097.91 48328.25 4-(Dimethylamino)phenylalanine 12722.46 8550.28 14493.1 5243.37 8768.88 7873.73 11966.34 6341.71 6585.63 6401.28 3964.58 4061.95 5969.59 7777.66 4215.6 9374.07 7442.96 4745.19 26235.16 4704.84 10311.28 4410.18 8815.49 6753.54 4958.75 6677.96 12151 10695.73 9767.67 5516.74 9220.38 6191.34 5771.37 6012.65 5302.47 6532.65 15179.77 7362.89 6651.76 51855.69 6660.52 8131.24 13976.76 12072.79 12790.34 17701.55 12133.54 14832.1 6172.55 6371.67 51434.04 7545.75 5832.44 4921.48 11199.47 5303.22 5006.2 11924.02 6781.58 7184.17 20221.45 8573.48 16686.91 6460.12 8920.82 53608.33 5758.39 7211.16 11008.89 13723.9 5869.11 7233.64 13257.54 24041.59 4984.67 12262.24 10899.74 9581.9 10852.56 9792.66 10692.92 12403.09 10740.41 8634.52 2-Amino-5-chloro-3-iodopyridine 14472.8 8230.77 10472.61 33933.29 20296.82 56470.57 10810.47 6039.93 3715.5 13681.71 10491.31 15950.58 8656.53 19129.74 9763.79 19259.51 22866.27 9149.85 11641.8 3812.03 2216.81 12732.09 14541.43 14922.61 13890.79 17751.14 17535.71 16083.41 14600.16 759.81 3421.54 12668.38 6074.04 14426.89 23199.68 8230.36 8778.46 30501.8 21744.55 18123.88 55414.28 37256.93 21929.05 25198.29 18916.08 16214.57 5827.12 8449.67 21616.58 32003.59 21726.85 10279.76 18768.78 42264.52 42327.62 16844.87 8437.44 10006.34 16455.36 27103.79 21653.38 18757.07 8127.64 19864.72 6162.96 21045.33 1007.3 10588.84 11729.86 5583.45 6237.23 17131.91 10407.03 25008.43 21120.49 24050.74 23789.9 23766.12 23711.33 23762.51 23751.45 23740.2 23711.47 23790.55 Lauroyl arginine 5839.32 3287.76 5336.5 7457.17 6640.76 7800.08 6782.51 2293.62 6476.74 6094.18 1297.63 4582.68 4445.46 6989.36 5952.31 7730.73 17492.84 13029.67 5164.85 7463.88 4774.76 6108.66 6417.51 2433.92 4729.53 4313.48 3867.54 4067.23 3315 3402.19 6776 5309.11 3677.6 4332.03 4495.35 9172 3636.16 5306.67 6079.6 3301.02 9994.97 7043.47 4602.33 8803.68 8729.09 4350.14 5675.54 5351.89 2416.59 9546.21 11023.75 3458.97 6565.93 5306.29 9238.32 5322.32 8890.69 9804.6 11413.1 5697.48 8727.86 6491.96 7916 8072.33 8184.28 4868.67 7336.73 5352.35 4908.1 6346.48 5238.21 4206.84 5755.85 8879.48 8145.51 2776.53 3341.23 1729.26 3071.89 2601.48 1308.43 2904.07 3339.05 2247.2 1952.73 2807.96 562.38 1351.93 2798.6 1689.93 1851.0 1495.65 867.28 1547.64 1456.62 958.9 1878.32 1525.84 2902.14 950.65 6739.47 6592.18 6608.21 6609.34 7187.18 6762.36 6596.38 6789.18 6594.57 Tigecycline 713.43 501.36 617.06 474.62 902.09 1083.05 290.21 1173.76 1103.01 451.78 679.3 617.79 934.35 887.43 863.06 722.49 934.4 756.48 776.11 1096.4 618.04 1040.65 633.89 590.12 563.61 1062.97 614.35 489.23 531.12 308.9 457.02 601.21 469.6 791.04 652.23 804.9 413.44 1472.46 882.84 764.71 788.56 991.02 931.68 1126.65 645.8 702.74 428.46 1889.28 632.62 718.8 496.75 909.2 401.47 489.79 646.78 907.4 774.07 930.54 590.69 837.49 2150.32 547.24 2436.47 556.37 710.64 662.27 1039.32 601.34 1035 751.62 807.55 1117.66 886.88 856.07 799.97 1519.49 1430.35 1703.56 1308.37 1436.91 1296.38 1436.69 1238.24 1043.85 Iodoalphionic acid 2732.71 2059.66 2582.38 2315.8 4232.4 1174.48 1938.13 7247.95 4324.01 11580.78 3525.93 8439.47 4366.26 6991.97 5150.05 5591.23 2477.25 2614.46 6640.2 4118.82 2747.75 1110.48 4361.91 3044.12 7591.75 5136.41 941.12 1405.12 8365.87 1468.88 680.19 1921.89 2897.59 4853.97 1491.45 9951.45 3616.41 2986.3 4661.29 5708.87 2987.38 9353.58 4810.51 2978.9 7397.66 2918.04 1177.14 5995.65 7299.9 5544.08 3283.73 5635.97 4716.47 3914.64 4207.21 5346.65 1749.28 2084.88 1199.46 2471.92 4364.09 6952.36 3907.18 2370.66 523.84 7381.73 3582.6 7629.75 6465 3766.54 5285.38 1399.85 2991.5 1196.44 2050.01 4903.42 4903.15 4864.8 4900.8 4756.79 4833.85 4831 4871.07 4900.71 (3-Hexadecoxy-2-icosa-8,11,14-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate 2356.89 2414.95 3426.2 5195.32 918.71 3291.09 4244.72 4996.68 4836.18 5314.17 3784.86 956.9 2009.73 2948.81 4464.09 3124.11 4234.9 5292.64 4890.72 2954.12 5852.76 2999.29 3142.04 4534.74 5358.21 3022.88 3543.6 3417.07 6228.89 605.15 2989.66 2493.48 2721.06 5909.95 6849 2598.34 5467.83 4784.86 6193.41 5738.76 4183.72 2269.84 5138.18 4966.35 5128.11 6412.55 4227.94 6099.61 5068.39 5304.07 4549.61 5607.77 4615.15 5859.9 4066.26 4432.73 5971.09 5852.81 5596.85 7392.31 6523 6119.93 5095.97 6316.66 3469.62 5299.2 4452.04 4751.78 4660.13 6505.04 3687.35 5832.22 5668.74 3280.85 6230.39 4903.3 4493.79 4193.37 4620.88 4564.53 4499.03 4774.1 4987.02 4762.09 8,8'-Methylenebiscatechin 893.73 991.1 474.87 393.16 1546.15 353.95 1921.74 457.52 1464.94 2100.36 2207.79 1793.18 2673.1 2627.33 1478.59 2616.09 2738.61 1595.72 1420.35 1374.41 1206.18 2505.22 2729.45 2946 2036.33 1454.01 2085.59 1928.38 1416.22 1084.98 456.3 1919.58 1739.52 2989.08 3207.95 818.4 1889.18 2127.15 7413.55 2648.9 400.71 1902.99 3603.74 5592.87 1336.65 2909.73 2671.45 2501.93 438.95 1497.18 2094.85 3217.84 1788.6 3791.32 1424.45 4672.4 10760.84 8252 1624.84 3620.45 7496.88 7104.52 4053.43 9068.76 4203.88 3909 1444.26 2199.97 2920.14 1446.8 1399.9 1643.36 9564.03 8201.26 4312.16 3587.15 3581.64 3868.04 3487.8 3402.07 3609.1 3108.23 3503.69 3601.86 Cholesteryl docosahexaenoic acid 19068.58 59026.83 35071.62 33985.41 21347.06 67200.61 20841.96 28474.14 29830.04 14797.66 9160.49 13422.05 21275.03 10118.63 62497.24 21094.91 30908.53 24734.9 41169.09 32932.72 16422.26 46070.97 9861.46 577.06 22599.69 16587.58 17755.88 13002.23 26153.35 34675.81 20241.14 42607.46 24617.32 32533.26 37173.85 27089.44 19420.19 17677.12 13636.32 56245.15 20506.75 19141.54 31684.97 14761.95 9953.59 12195.25 27151.61 110211.93 10120.52 16511.75 6880.72 12154.02 15193.65 17225.44 24442.89 43013.8 39029.55 38483.59 31491.25 66326.02 23946.57 33761.33 16845.58 33964.22 50949.53 22410.07 32401.19 19328.98 28801.25 32754.85 52385.27 17320.43 14550.52 42832.9 28674.03 42952.69 6414.63 43478.42 31047.89 35944.06 27667.79 52805.33 42646.43 14486.83 42673.17 48053.84 62591.48 34542.21 35628.39 39006.26 38907.31 30063.74 35305.66 18837.92 34616.85 23449.05 23443.18 23107.65 23277.96 23450.88 22183.89 23096.89 23461.68 24020.23 Rolapitant 9983.24 20463.73 5050.27 14950.46 21823.53 10884.82 13175.15 11970.34 16281.36 5717.07 6174.4 12633.3 26351.78 9388.14 24565.54 33302.41 17177.11 45545.54 36913.76 61632.65 19975.13 5894.57 1935.65 17992.75 16824.04 16574.39 5293.79 4833 24463.32 15119.23 55918.62 56094.95 4197.84 1989.47 11271.19 8260.41 2262.08 17079.05 4090.07 15347.69 68997.43 23584.96 10642.91 8351.66 21118.21 11222.72 21772.42 6184.71 2351.77 147657.55 3695.12 4768.66 7482.75 4473.45 3975.96 2920.66 14878.1 10462.81 3582.67 3623.48 5942.97 3360.76 16458.44 25552.73 15540.99 21497.83 34444.84 7672.96 9281.64 12998.16 3718.14 2492.89 4913.52 13299.44 21985.15 10889.47 11410.73 9807.85 11852.29 11943.61 13416.07 10857.07 9749.96 13283.75 3-Fluoropyridine-4-carbohydrazide 127565.55 126812.6 137401.8 126999.39 124743.56 80892.89 52079.3 71964.99 118066.63 98993.65 18999.79 51763.48 65612.45 99436.1 89497.18 89115.72 80467.53 92707.73 97495.65 77059.17 49620.92 44820.78 54747.94 120186.5 123912.1 124462.06 118705.21 128241.25 130185.43 95698.89 100131.56 107637.24 50056.08 120611.44 109023.05 124950.51 115608.53 58081.67 107232.48 95091.44 84158.35 96344.29 113395.74 99821.86 105610.06 79467.34 110338.57 101327.76 75556.93 88370.8 77586.72 84668.32 96868.15 77242.96 50079.33 99269.82 95007.9 88007.03 97295.1 63823.82 92438.42 86857.31 92087.78 98228.14 105130.55 95438.7 91004.39 115968.84 107796.78 110574.36 94504.15 94514.9 62224.95 74959.02 93009.69 96528.92 96532.72 98129.8 96862.38 96048.45 96764.38 96964.25 96526.11 96967.48 5-(2-Chloro-benzyl)-thiazol-2-ylamine 101112.26 63360.24 88511.66 77498.36 58611.89 80905.96 91422.69 110385.09 101626.2 109328.78 101812.12 80857.7 74641.6 97443.59 76634.82 100442.86 107527.71 98295.17 91696.06 82255.24 114381.84 81939.1 94347.27 70635.21 109612.73 67307.35 107098.92 109686.2 83103.68 103212.41 55952.37 67633.29 94559.07 102214.89 89280.64 91758.56 99883.59 84846.51 104657.13 96733.63 87517.36 83388.57 100929.96 86431.21 84259.15 64756.15 88917.63 91228.47 74345.18 64995.46 88129.55 59446.6 98832.08 79755.79 87036.55 76192.01 97361.66 114398.52 98118.55 107651.9 98722.83 61330.53 101480.06 92857.93 75780.59 92344.98 56855.5 73749.28 94747.22 83794.72 82571.13 92491.41 88854.62 79415.75 80915.45 83644.2 85213.46 87939.79 83783.09 92774.39 68489.67 83394.73 78571.83 67688.17 87496.78 69184.78 83756.36 72119.41 84390.86 76504.85 73471.49 83432.15 80814.58 77855.68 65983.45 72012.19 68705.85 72849.7 71705.68 71785.32 81717.97 79081.77 85209.85 77710.51 79763.01 81476.67 81696.44 79889.94 76965.59 2,1,3-Benzothiadiazole-4-carbaldehyde 1187.61 2174.2 7652.55 15855.5 804.64 5968.42 14818.56 1323.2 1430.82 2233.49 669.37 2033.41 21200.01 5136.71 852.25 2413.71 5111.5 865.34 5348.64 1291.28 2183.37 25227.2 9720.81 7053.97 537.47 1674.36 5266.23 1820.46 1500.18 66492.18 1132.09 60884.7 972.3 11946.51 14136.63 2436.73 1446.98 1241.79 9336.95 3711.83 20467.47 1726.26 7080.22 13644.3 3070.28 28726.57 1280.66 3212.26 2573.14 1056.2 1819.53 2347.19 9726.84 14388.64 12129.07 1197.49 39000.16 46314.2 1111.46 9145.05 3693.39 6368.2 1551.48 17028.41 989.54 529.19 944.89 2873.7 2602.7 1426.22 1388.33 18091.74 5039.83 16305.55 15186.38 17497.63 17243.7 25535.62 19051.75 26205.58 11514.04 22799.15 28387.51 12299.62 14825.25 10833.48 21863.62 13398.4 28222.0 12362.01 14929.0 19132.03 19156.05 29978.12 19069.06 19261.68 22933.38 17773.4 18531.72 25526.8 5080.42 5294.99 5015.64 5465.05 4970.04 5037.09 5121.91 5018.41 5018.64 (2R)-2-Hydroxy-N-[(2S,3R,4S)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide 9587.93 8527.19 5369.31 11863.26 13074.14 8580 17708.17 12174.44 16076.68 20425.75 12023.67 13218.52 15821.64 15286.39 8879.51 12868.19 10765.84 6072.92 16813.08 5335.09 8181.77 6283.47 14821.92 12745.14 12852.01 8021.67 12841.55 13045.98 10808.6 12518.67 7715.54 19866.17 4921.78 38508.85 17024.98 15965.29 8423.83 10558.33 10191.27 8310.17 11489.17 18436.42 13161.3 26293.28 8926.79 13921.87 12292.88 8994.34 9029.94 15035.62 10342.53 8483.82 13329.89 16641.79 10149.43 6531.98 9986.94 8804.56 7231.32 4447.3 11155.35 17492.02 5683.1 13342.53 8397.08 13330.58 14722.08 25769.85 26886.44 9738.96 8523.02 27042.16 8033.03 8498.13 17112.01 14979.05 14863.34 14709.5 14712.51 14400.34 14868.57 14706.12 14864.44 14707.52 26-O-Rhamnopyranosylpolypodogen-3-O-rhamnopyranosyl-(1-2)-glucopyranoside 1135.37 723.67 1216.47 902.63 642.42 791.25 281.62 4851.49 2397.87 654.29 348.55 783.52 385.18 300.03 744.42 1037.58 414.68 1694.46 763.18 1448.1 633.44 334.75 703.83 248.37 501.82 1027.09 477.16 513.43 966.09 800.03 1564.6 1052.27 744.2 5793.15 4472.43 6690.95 8090.41 4139.95 2085.31 3118.54 6945.3 15154.59 2517 3020.88 14931.14 4805.02 6240.44 4559.57 13516.51 13020.75 10044.29 4939.48 4527.13 4204.38 10518.23 6833.06 1887.02 1687.98 11597.76 7499.68 2693.43 2972.37 8119.4 3575.8 2493.18 12497.69 12530.54 5102.38 4490.02 8922.19 5102.81 8226.38 6168.41 5128.13 4026.72 8329.66 8078.3 7871.24 8023.71 7994.17 7827.99 7867.79 8002.85 7816.57 all-trans-Nonaprenyl diphosphate 1117.1 857.7 493.45 1070.29 3710.77 2386.01 1399.62 980.09 1006.62 571.44 1146.76 1705.05 1253.39 1110.24 1042.56 230.28 1230.47 486.3 1435.51 1093.6 1338.26 694.85 198.6 597.55 730.67 1721.53 402.02 717.66 730.75 400.81 1255.93 1148.96 429.74 1195.51 332.73 379.08 1017.35 1415.5 173.74 806.16 1121.37 3466.46 723.03 401.39 459.23 3394.09 995.1 1765.69 2517.89 3065.25 3119.56 2495.35 1612.39 1497.19 4276.04 869.37 2267.45 1421.18 1051.07 1529.67 1545.29 1615.3 562.89 2035.25 1483.64 2994.57 379.09 361.47 253.57 1145.08 1732.47 1076.6 3300.75 3261.41 8228.6 4904.6 3303.74 3296.53 2650.49 3585.59 3856.43 3691.55 3084.28 1822.58 Carbamate 85112.19 180414.87 124371.55 68398.94 1321.13 964.53 46080.32 70640.07 61225.69 109532.29 41255.29 106386.91 174531.78 84369.34 55425.68 47873.8 12771.97 1538.01 88398.71 54423.03 112687.45 35849.36 72926.81 109164.64 101418.56 70120.34 103611.84 87572.96 84750.6 143261.75 63460.75 3512.69 43835.91 126961.01 23457.54 148357.92 15671.44 19528.93 188732.79 273367.98 134041.64 74925.25 43880.69 44376.23 47292.64 82714.11 33583.12 87434.06 125293.55 27751.59 72687.4 25690.31 96242.5 60318.94 272994.97 57028.12 109265.3 68834.83 8670.35 9560.62 106295.87 166572.54 39543.95 21990.99 6593.88 94292.04 103512.24 135571.51 232915.11 31618.57 21591.21 32042.69 23816.1 53052.06 41913.46 17766.76 11804.26 18592.88 11219.39 18687.84 16760.99 14682.24 20643.87 12084.36 17821.84 19107.61 18096.87 14966.78 21455.55 14978.15 16163.74 17552.34 16559.06 19940.97 17631.1 15649.37 16923.36 17117.27 18344.22 21477.07 30300.15 32131.26 33965.47 33168.56 33722.71 28891.98 32977.86 32828.7 28263.74 Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside 7580.48 8372.91 21111.77 2201.88 14697.12 3489.24 13568.14 23798.33 1065.31 1521.5 5530.36 2429.39 2005.32 7550.68 765.42 2280.34 1366.88 669.06 5231 2546.46 11752.02 3313.47 3321.5 5399.61 13710.88 1931.08 4756.57 3191.73 1929.57 1007.85 6235.99 16303.65 3183.55 23685.25 20988.24 22344.24 23193.72 905.96 19631.74 11885.58 5015.51 13569.48 20969.27 8060.61 15030.39 14090.23 19885.72 18156.95 106049.26 16858.66 13085.44 19181.12 22651.32 20234 19293.95 17067.17 16384.93 17186.11 12133.21 1534.67 19894.24 16598.12 29483.22 21584.81 8203.49 18351.48 10001.93 18391.56 5419.53 14606.15 14489.2 25077.73 23043.5 12148.43 30323.74 16258.01 16262.47 15577.89 13221.67 16280.34 15952.11 15398.58 15643.19 16100.12 N-(5-bromopyridin-2-yl)propanamide 15960.95 20968.31 22219.44 18247.28 22573.71 9528.39 17832.97 31174.72 26833.43 20633.97 4548.88 12060.78 22118.3 19225.39 19270.5 18077.26 16021.31 19185.38 24291.97 15325.63 25300.48 11208.04 16502.44 18745.61 24464.06 22319.72 23021.14 22602.26 23661.28 14666.42 14283.36 20315.51 15258.34 24276.61 17451.68 26543.08 20156 5385.08 16045.79 14459.74 12296.51 15145.7 19442.48 15603.3 15606.96 8794.43 22529 21668.74 10107.9 15128.91 11392.1 14454.89 15758.15 10958.23 14273.56 19563.55 16834.45 15370.59 17831.79 7282.05 13506.75 15487.43 16073.06 16458.86 18647.41 17019.45 13057.78 24049.65 19657.24 21923.22 14757.76 15071.73 6871.6 9238.45 14085.93 16138.45 15850.39 16693.91 16147.01 15837.26 16084.12 15914.19 15987.51 14414.32 9,10,13-Trihydroxystearic acid 10761.46 8289.77 9227.39 34585.18 100673.87 124556.66 135933.04 8590.54 7489.09 6254.3 5728.58 4458.69 26330.17 8009.22 10281.46 8562.42 5144.54 7848.29 6924.82 5394.79 7243.41 15486.54 12988.12 7294.38 292.8 7054.15 8085.18 9078.36 16695.83 3475.63 3331.19 4891.31 4924.32 17054.22 8833.61 6985.33 8331.93 16749.34 14922.46 7692.73 37806.27 10357.38 6769.76 10238.58 6196.7 32911.68 6276.39 10447.68 5068.78 5350.97 14025.46 9317.12 7509.22 18857.86 14644.13 5374.15 6088.3 4168.05 5953.28 12985.14 5199.81 10431.31 11344.77 9326.56 5886.22 13828.77 9211.19 10578.76 7999.23 5991.12 6682.97 6636.13 9847.14 12015.63 18069.49 21914.4 21328.91 21218.22 21331.61 21218.2 21260.67 21273.98 21217.47 21362.91 5-Fluorouridine 5'-triphosphate 22052.87 12570.54 23740.92 24630.49 28834.06 45239.29 29358.18 18994.76 16815.59 32621.31 37424.55 36001.52 61628.54 50026.65 17312.61 29869.85 30672.17 18353.84 51330.81 18404.74 6500.68 40942.99 43277.02 37974.14 23430.24 19705.09 33036.5 27317.66 34694.57 38695.24 22716.76 45702.69 14637.51 45317.79 37743.31 31281.64 22665.87 30488.72 54240.28 43323.71 67954.79 49268.76 42318.32 46853.46 28989.56 36912.08 14758.81 33652.89 40721.3 38006.79 35819.39 20722.88 44448.24 50736.38 48096.41 16597.45 30994.55 30049.92 18654.22 47678.47 34936.27 51682.22 19313.41 22372.92 14090.06 34413.72 16263.17 38930.72 33457.69 15671.04 15587.8 40342.02 41440.39 46036.83 32194.31 36056.04 36523.07 35734.15 34801.69 36542.88 36538.11 36528.79 36078.56 36820.6 Malonate 66075.17 64357.29 70657.59 64556.48 68705.53 44763.21 34630.33 45086.33 67026.28 69845.9 17492.84 53848.73 61940.01 68383.19 61956.92 61756.24 56752.86 64306.53 72446.78 55593.04 35043.56 48882.24 54910.75 65423.4 69242.25 69985.19 67438.22 69057.96 73364.93 53482.82 57925.86 62881.52 52173.9 69002.02 61607.03 73676.7 60626.48 36029.94 63973.66 50430.15 49382.21 58955.15 70999.56 59671.87 65108.84 49159.3 68899.09 60855.03 47156.08 50238.69 50792.79 53916.52 58363.22 46325.5 28725.58 63631.26 59656.93 53575.84 58764.61 40008.57 54993.53 54998.57 56833.87 55615.06 61891.44 57406.23 54921.06 73508.91 62938.97 65999.81 56200.97 54004.55 39204.61 45256 58141.93 57529.84 57099.45 57551.02 57103.12 55760.74 57103.62 57373.79 58241.01 57562.33 (Z)-2-((R)-1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acid 122.61 188.13 153.97 310.89 376.07 131.2 95.64 89.91 131.74 127.72 246.06 115.86 148.89 154.96 164.43 67.86 113.8 180.6 180.63 167.28 147.59 112.94 153.57 128.51 138.22 151.3 121.58 137.19 123.63 159.75 623.71 212.5 140.69 157.32 112.68 117.34 50.36 74.94 80.22 62.36 198.42 108.89 71.04 67.03 106.86 161.2 85.61 81.35 49.26 62.34 77.38 109.56 64.39 124.86 152.31 95.97 66.8 92.04 67.12 86.83 52.41 37.8 69.62 98.07 78.72 421.54 72.89 49.96 109.84 51.47 54.38 70.89 75.71 141.25 73.42 2137.24 2137.35 2194.58 2166.92 2142.64 2192.01 2214.98 2191.14 2188.75 4-[(Methylamino)acetyl]morpholine 4184.27 5507.97 26662.46 12264.31 7206.23 18011.06 33650.68 6860.79 9176.58 5274.47 4094.08 4658.92 4046.46 4890.33 4859.7 16256.63 16878.07 7479.74 10920.98 21209.93 11450.89 69732.79 34573.7 36162.22 4208.42 5142.76 4804.94 6232.39 15836.19 4019.11 4610.98 74176.54 20430.35 47182.43 38197.18 6250.43 2103.94 12340.65 35243.39 5119.55 10321.45 3916.98 4238.58 4455.7 4855.68 2585.2 8520.39 7823.53 5935.49 13284.1 3199.03 3553.63 4330.58 4597.39 2896.53 8314 13727.43 9625.19 6375.21 7893.09 21562.16 30126.52 3317.87 22485.27 41288.32 3620.3 7312.67 6251.89 5496.28 5795.2 20455.24 38242.92 53188.92 32214.33 16083.13 14943.77 15119.75 15280.41 15336.86 15266.62 14686.7 15139.5 16233.19 14638.9 Elloramycin 299835.44 238589.04 99585.81 137459.19 568385.04 243174.56 157605.88 418108.43 382673.01 268160.53 135877.26 222102.24 183190.48 214184.91 310634.13 349082.77 174392.64 315326.35 379009.88 380509.17 361229.41 141774.33 129404.53 161794.65 374734.06 280980.39 225215.82 186332.63 406237.01 248965.59 326356.93 654239.18 219426.65 204323 177305.73 138254.64 783333.98 291024.12 350816.28 174898.03 131293.28 1019853.12 205572.6 265047.32 144312.33 186447 648869.66 299003.39 756466.35 758972.4 376019.46 205441.71 172590.97 290690.09 670999.26 170706.61 59558.73 30734.17 379927.17 68998.55 150639.04 122831.35 191956.27 223808.08 18323.35 231682.15 185443.6 532958.22 629807.93 214603.21 100969.62 312638.97 4821.01 222303.85 136572.29 407082.11 344824.78 406997.05 414350.58 364081 385161.05 422166.3 112640.19 350071.44 Eledoisin Related Peptide 2897.12 3267.13 6153.5 13378.94 2207.23 2447.01 2899.96 4122.48 1699.2 1385.55 4450.25 4627.91 4657.66 7455.82 920.58 628.72 3923.47 2846.16 5355.38 539.78 2523.17 2401.16 1479.66 6148.03 1278.34 4036.76 5879.06 7782.33 3729.66 2257.79 878.18 5466.04 2622.57 11473.05 7139.06 3183.76 2761.9 4687.78 9468.96 6458.9 653.23 6922.78 7621.43 7034.77 3401.55 3732.87 792.49 3664.86 3202.39 8846.38 4196.84 1544.53 9842.08 10581.04 587.85 3685.53 5926.43 5554.63 1572.73 2856.63 7289.47 7627.97 820.21 5799.39 2446.98 4693.98 523.49 8654.52 8081.35 1932.68 1804.69 8445.46 7355.62 4530.77 8452.2 6234.04 5679.87 5373.54 5464.55 5218.55 4289.82 4441.08 4430.94 5133.46 1-Bromo-4,5-diethoxy-2-nitrobenzene 1885.57 1465.31 2629.09 4664.53 2951.84 4954.01 7170.09 1380.33 473.23 1536.57 2731.46 2942.87 3758.36 4586.18 1580.65 4242.85 5070.34 1737.75 1826.46 2047.65 707.67 2217.1 3001.12 4975.83 1409.42 1080.49 2330.49 2581.6 1680.6 398.34 980.88 2766.01 642.39 3491.77 4956.16 1222.58 1883.92 2824.96 5669.07 3638.94 2864.76 2954.25 3897.75 6440.52 2183.85 4167.54 1307.8 2549.04 2355.58 3105.08 2333.24 1384.76 4072.59 5377.72 4157.39 2196.33 4895.4 3781.47 1592.99 3844.76 4726.68 5354.21 1737.92 4812.22 3019.28 2152.92 384.8 2672.95 4048.77 2222.8 1485.21 4587.14 5520.34 5899.55 8534.65 4359.21 4260.32 4363.06 4355.89 4128.94 4444.71 4270.67 4302.17 4253.47 Methyl 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate 21723.12 33107.88 28415.76 15476.28 19001.8 10501.02 10721.3 15681.3 13165.14 32303.21 5148.17 24240.98 45818.12 23443.43 14464.18 10232.01 10768.23 13945.23 24545.05 9463.95 17027.22 6283.12 19458.12 25776.67 24420.94 13979.01 22976.2 22020.37 21059.1 32495.26 15388.83 16146.29 8776.42 26667.32 11191.61 31636.99 13863.3 8572.09 28488.82 67050.45 31065.14 19447.18 16002.82 16731.27 15012.82 16833.26 10647.46 23720.7 41660.35 13357.04 19211.08 20495.15 23167.59 12217.8 46217.17 19926.92 28445.44 17471.17 11473.22 13216.31 26490.8 51225.83 10101.91 6654.91 5819.54 27557.91 22536.89 35006.32 46321.01 12028.68 9126.75 13638.07 8627.96 12930.11 6826.8 18745.03 17634.13 17506.23 17349.33 17883.77 13912.02 17928.94 16018.28 13918.02 17374.3 14715.58 17361.25 15084.39 16905.31 15552.97 14298.39 17116.28 17549.42 15624.33 12272.0 14657.67 13077.42 15992.56 13365.0 14588.76 16513.95 16644.23 16545.16 16505.86 16322.99 16646.37 16748.6 16649.22 16303.03 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] 843.58 684.63 478.06 556.62 5235.48 982.89 3916.21 6319.98 677.83 444.37 673.5 516.35 6111.04 12434.66 14178.61 5762.86 4798.65 753.25 474.15 411.07 5021.84 4731.34 506.51 803.69 467.64 14934.51 1588.26 470.68 471.16 5766.69 13398.64 455.03 3698.54 994.41 4398.24 6006.12 3230.47 1891.45 708.05 3920.06 11014.86 6332.52 4216.3 3708.04 7928.96 2448.87 7183.39 6204.05 2810.11 13138.91 527.7 3278.52 5011.01 5151.71 4264.67 5142.44 2559.89 2911.73 3488.6 2750.62 3968.58 1018.09 4173.92 4611.62 3104.96 6591.48 7291.75 3648.29 6187.66 6679.49 3881.33 4413.5 4718.48 6488.17 4888.05 87466.36 69332.71 82557.18 26802.8 39409.13 99640.19 106598.23 30399.76 195015.62 126917.44 136505.68 233374.58 73303.59 22756.59 168281.24 26513.88 94169.59 108230.53 27943.71 78718.27 164242.57 140144.68 43606.0 223328.65 43330.52 5338.04 5229.31 5149.47 5363.74 5336.4 5329.16 5192.84 5338.15 5282.5 L-Ascorbic acid monostearate 12458.4 434.35 6909.57 484.51 20101.79 30356.88 14424.7 18694.28 22052.02 1306.54 7639.57 9776.15 10436.5 8777.45 13889.64 10187.01 7481.81 12936.65 12360.18 22371.18 16912.48 11451.16 8377.12 10970.56 14768.88 15353.33 8905.38 11114.18 20744.94 8800.2 19981.55 13906.59 9392.53 8773.96 9872.85 21160.25 15434.54 15005.83 7796.49 6816.59 22870.71 23921.12 9635.94 6703.95 18605.86 7553.87 17618.34 9423.35 8295.39 12476.73 10622.86 17462.91 9126.19 11761.51 9319.11 13249.43 4949.11 5111.08 13862.48 11676.66 5518.49 6838.79 10621.47 9068.64 6856.51 16977.98 18057.34 8520.4 7840.71 15376.98 14586.34 11955.73 8083.36 9854.02 9891.92 3052.31 4036.59 3108.04 3402.3 3350.1 3288.46 3143.3 2712.73 2821.24 2819.48 2579.55 2608.51 2989.42 2956.85 3004.98 3336.73 2542.44 2790.14 3029.85 2413.81 2708.41 3005.53 2531.82 2626.79 2505.51 14064.51 14079.96 13775.56 14085.65 14014.32 14083.4 14341.62 13934.56 13931.59 Radiclonic acid 30679.74 41392.54 34688.14 44034.28 50316.69 70033.87 33959.93 26720.91 31783.19 29798.11 18329.43 29262.89 36853.9 46462.18 35395.24 49371.35 47163.89 59720.36 42263.65 42113.78 45526.38 26546.06 25006.54 24843.37 25805.6 41692.64 23443.7 29178.27 36398.35 41982.38 53655.08 56312.79 28162.87 43508.19 31642.41 40280.88 31987.07 49517.19 34988.84 30577.26 60978.23 55063.5 37113.09 40194.95 47531.67 23627.07 37270.96 42607.38 30779.72 68676.02 53158.05 54202.03 43231.7 45071.06 33189.27 52017.47 41558.52 36283.63 37920.61 34086.71 36368.84 31091.19 33369.37 34599.04 32561.74 40324.25 61588.82 36196.8 30723.11 28360.19 40205.02 31649.31 30456.14 53126.77 43325.42 44470.74 44856.19 44851.91 46247.23 44848.54 44471.45 44851.71 44746.58 44741.22 3-Chloro-1H-pyrazol-4-amine 1620897.85 121493.83 90743.05 44238.86 108517.74 1602408.4 32270.49 43929.78 29171.96 34521.56 12806.95 189195.06 14313.79 45823.09 31377.66 72179.94 53262.13 64811.93 36388.89 44868.48 36787.04 14705.47 33877.69 82877.55 50129 2218605.27 1789146.04 1459290.97 1456180.72 62223.63 48248.39 131402.23 24639.77 1386850.67 1608745.7 31518.62 61652.03 124182.94 30882.81 1325261.04 41751.14 48967.36 31871.7 22605.32 92130.74 25391.39 79425.85 117288.29 17213.84 16047.19 28215.96 183345.64 20476.87 18215.21 25802.54 76557.8 82101.86 47587.88 37590.59 19653.2 81009.77 30231.53 42550.45 40029.09 114555.21 32467.36 51420.09 209709.2 25497.82 16066.32 31634.96 28403.59 30182 19389.01 40055.53 44466.63 45841.15 40643.81 54320.18 46290.72 45892.39 41098.76 40488.4 46619.37 Emblicanin B 909.18 1082.87 1729.37 1870.94 1493.55 667.77 4276.4 4864.39 1968.52 2930.94 1993.01 3122.08 796.67 1026.99 1408.66 2031.48 562.72 381.52 1356.35 1002.24 4307.26 506.34 1387.88 1461.99 380.08 3145.71 1429.8 2497.36 678.58 1527.62 2917.57 3295.72 2243.98 2055.51 3363.98 4595.8 4272.08 2718.17 2901.45 1558.7 2781.13 3105.84 3215.1 2680.9 3276.99 2692.7 4175.28 2229.18 62698.99 7580.21 3129.39 2671.71 2655.04 2638.47 4460.94 2901.1 2014.04 2135.39 2869.18 2984.89 1634.68 2839.02 1218.89 2566.72 2128.34 820.31 2644.47 1465.33 2061.77 2930.97 2804.02 1106.25 15924.89 31102.09 13014.55 4310.74 4121.39 4259.42 4144.33 4293.16 4059.11 3959.34 4155.5 4024.9 lipid X 7625.03 6134.64 2608.22 5596.89 3983.85 9181.34 11430.17 8997.64 7724.36 3496.61 4285.09 7194.01 2024.07 3172.47 2489.55 3446.89 1404.41 2193.18 1550.35 4771.43 17138.1 5260.39 5972.08 3676.68 10822.3 2545.16 2460.85 8913.43 6148.19 4772.62 7962.81 10950.05 3470.77 12199.09 18656.39 9527.39 18664.61 16799.45 14201.87 14211 14343.61 11277.53 18087.45 12982.47 16432.61 13186.32 18282.97 27101.57 10680.3 19221.73 14947.77 15693.77 7490.28 12889.38 9286.88 12021.69 8671.21 6068.12 8928.06 8885.92 7921.69 13246.98 11164.9 17947.1 16007.68 7081.83 3728.39 4450.91 5700.97 9786.2 4306.97 3843.47 19904.12 47450.25 19750.46 5954.02 3780.48 6777.01 5753.95 5755.73 6282.78 6075.39 5711.55 6062.24 beta-Hederin 5717.51 6051.31 3002.14 5205.22 6789.21 30678.23 34745.52 8888.15 37623.17 7185.76 6323.19 5334.07 15882.01 3212.64 2790.97 6447.17 3573.07 10175.73 17719.57 14552.11 3913.83 5968.74 726 2948.32 7538.3 8552.46 1187.11 3732.49 13624.05 6024.52 15717.48 9398.23 9117.09 24000.49 14061.94 13806.74 17311.93 9442.12 15759.94 12814.83 16092.83 16004.27 12889.68 12664.4 15070.2 14337.92 17688.25 13268.3 14188.71 3915.81 10205.58 20609.56 10065.45 11549.45 27559.78 12715.47 12985.76 14285.61 15461.61 26430.8 19888.95 10942.06 19145.03 13672.34 19516.69 19025.57 47196.68 25406.62 20056.97 11296.83 19454.9 15888.38 13099.69 17825.33 9165.08 11430.84 12422.17 12031.11 11523.85 12422.48 11790.71 14181.87 12511.23 11845.65 Zizyphine A 977.39 864.99 875.41 1273.55 978.13 7159.76 2231.58 782.85 555.28 1544.03 1386.66 1629.59 795.25 360.61 4784.23 1152.89 1789.71 2528.98 1365.28 3879.29 1611.88 2972.76 598.87 1073.25 1733.59 2148.53 537.13 1340.05 459.68 271.58 1814.71 2337.28 663.48 3698.77 5021.79 4031.14 12195.19 14651.02 2068.89 3370.17 4865.51 8513.35 5343.05 1912.83 6724.04 5321.94 8775.5 5431.33 3548.22 14883.33 4298.94 15225.5 6987.39 6740.07 2494.5 22104.53 15835.81 8332.88 11506.95 11285.45 3349.59 4867.78 18228.58 7972.32 4792.02 10284.5 1611.3 3150.71 3026.56 7096.26 6466.53 4700.52 5484.68 11717.94 6133.36 3963.48 6350.27 3656.36 3465.57 3762.91 3730.62 4011.23 3455.75 3051.32 3890.93 3415.03 3868.66 3594.5 3534.82 3756.2 2903.94 3049.02 3622.16 3778.7 3521.78 2952.18 3393.1 3967.35 4098.1 3698.75 8286.11 8216.83 7916.92 8149.14 7508.28 8386.71 7520.29 7711.69 7726.84 1-Stearoyl-sn-glycero-3-phosphate 6277.28 7104.02 8367.32 9872.24 9568.79 5258.97 15419.63 7936.52 5706.29 8118.59 4898.46 8673.43 13249.66 9902.81 5341.6 7945 6337.77 4957.18 12147.58 5290.43 6078.79 2061.84 8701.02 11217.91 7298.13 5235.77 9044.19 9695.51 5441.42 3197.71 4965.19 9995.09 2818.99 11369.33 11931.05 10002.62 7037.91 3749.57 12069.58 10232.89 2037.41 6055.04 12527.98 8241.97 6260.08 12361.36 5404.12 9860.68 16156.97 9198.11 14012.48 7914.63 13738.85 13719.25 10271.24 5636.91 7118.05 7931.88 3718.44 7332.88 8606.24 9456.25 6880.09 10269.62 6174.41 9254.65 3630.4 10071.6 9341.72 6544.91 4744.06 6139.09 7623.68 9624.42 11247.02 8027.21 8362.68 8193.77 8376.5 8367.3 8259.47 8268.87 8349.27 6385.13 N-(4-Bromo-phenyl)-4-chloro-3-nitro-benzenesulfonamide 61173.18 44815.14 839.35 9472.14 18497.66 26716.2 11400.7 12430.17 7841.05 20892.82 7409.61 6504.5 8114.15 8544.41 35776.96 14786.43 9847.9 25949.11 6515.9 22833.11 13669.57 19748.72 866.72 12714.58 24456.34 37997.05 10877.84 18029.82 14152.02 7518.28 27015.38 13350.93 26436.62 885.84 3121.84 8113.61 27420.35 78362.13 5829.77 8075.35 2298.35 25073.05 5594.75 3049.83 21949.22 7872.04 18953.93 9672.59 27219.31 38243.13 33993.65 58437.12 4934.86 3575.6 1792.36 33542.23 8221.47 11166.67 31226.2 7316.72 12293.62 4756.98 28255.55 12209.61 11510.83 20310.32 21145.02 3748.29 7358.17 12340.66 25500.94 4491.64 15876.26 5047.21 665.95 17531.21 14112.44 11006.68 14494.73 10901.9 12929.79 13087.13 12232.4 15552.02 15697.46 14109.26 10858.17 15517.42 10893.46 13972.84 14983.77 12162.13 13064.24 9854.44 13968.25 11890.35 13157.23 13160.37 14351.99 14393.54 8697.41 8307.55 8579.79 8695.62 8429.34 8557.57 8760.57 8858.53 8689.83 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine 221173.1 207353.43 286928.6 206597.09 259450.31 102900.73 129961.18 263963.16 318272.12 256164.27 48080.61 197147.38 241515.92 240702.83 245529.95 228409.01 183261.5 233845.69 306424.75 215820.81 200586.57 132439.48 205495.14 240299.1 272792.02 274001.87 269353.59 274894.17 305689.5 165497.99 182931.76 222250.82 200655.3 280762.46 209850.93 318308.79 219563.74 64303.01 200601.53 163644.59 141992.22 176983.9 235749.35 183941.26 246445.39 133498.01 277157.36 240338.69 119096.4 173596.7 139784.58 167435.22 206911.51 129648.6 110498.36 209675.37 196212.76 172689.28 204837.79 90432.13 172082.47 167665.02 164031.82 179097.26 222936.2 196953.87 162053.14 271140.72 201492.7 277775.46 171944.4 170553 77512.8 114427.79 166506.01 188093.28 187323.49 188093.33 186384.48 188101.65 187623.63 187757.13 187812.08 187311.57 Istamycin C 68937.87 981.72 922.46 1834.42 69807.33 6296.73 15767.12 48749.07 53596.16 22248.65 25503.8 30570.11 3382.49 27075.78 29988.79 43889.01 13766.97 27425.37 36908.26 46216.43 34955.85 2255.12 13341.77 10441.86 40882.25 25832.51 29981.27 36067.5 31146.78 7673.63 49017.53 50052.28 6458.44 47369.94 20125.69 40275.42 38689.14 3224.54 22840.2 9816.84 23050.34 111122.14 7425.64 14848.25 40909.7 35617.6 29827.47 13901 36323.03 37127.85 128940.49 29892.13 19422.13 26170.4 47148.2 2766.29 3765.8 3488.56 26616.67 898.82 9419.11 1937.24 21362.47 3054.27 1242.67 75288.71 29322.4 26444.79 22159.89 32443.94 23360.66 2100.15 22109.66 4640.4 9336.94 27335.82 25816.51 26535.64 27372.89 28272.72 26766.77 25122.51 27243.82 19791.11 Muricatocin B 3744.67 5941.41 3927.64 4798.39 9276.15 23920.83 9360.02 12539.36 845.94 843.76 4556.73 2984.51 6114.64 6371.44 977.61 5071.3 4540.81 1112.07 2750.93 4676.51 2410.82 3761.21 3432.66 3835.57 659.45 4557.47 4540.05 4375.78 444.64 6598.34 968.86 6151.77 3507.85 8023.65 4415.4 1932.58 6322.41 5778.37 5681.16 4813.13 2241.13 6948.85 5560.11 6409.25 3544.24 5399.32 6142.74 4152.87 5124.86 5404.06 4094.14 2043.53 4316.17 3374.6 7719.47 4239.37 4801.33 5510.87 5370.05 3979.77 5498.93 4271.73 4995.15 6998.43 5519.71 6228.73 6349.06 5214.44 7050.43 4642.48 5656.79 6562.9 5592.64 2980.22 4744.33 6185.28 5625.18 5411.37 5532.18 5404.34 5785.51 5109.19 5803.31 5802.57 Sorafenib tosylate 563.38 252.72 6812.27 954.05 506.63 1128.51 1583.86 2316.38 1060.83 306.73 650.85 674.4 8404.69 280.28 7375.73 762.49 898.68 993.08 1181.21 671.82 360.16 1986.94 5839.14 1854.84 1324.88 287.86 348.81 464.95 703.1 369.51 344.6 10887.16 748.09 306.38 253.09 803.18 378.44 425.96 477.98 387.41 422.54 350.86 583.7 579.18 518.42 1006.27 424.53 456.01 72611.87 5326.31 4290.29 4667.96 3157.74 2129.16 3452.09 2537.1 2487.17 2241.37 1825.6 1475.44 1680.48 1472.77 1204.01 1795.19 1505.7 983.97 1858.42 601.08 818.03 462.68 1711.37 1000.6 23249.24 48445.56 12870.45 2560.92 2700.33 2248.35 2573.51 2535.29 2628.45 2309.02 2635.04 2018.72 3-Chloropyridine-2-thiol 19239.26 14295.18 95412.19 11028.63 28132.29 24267.13 31241.51 36063.72 39947.25 25817.81 39503.33 26841.94 20406.67 82107.85 28340.92 17607.34 19546.4 20209.43 11084.92 23913.29 19228.44 43488.63 27544.74 29533.63 26635.88 47769.16 24089.57 15317.15 39207.81 54160.69 36056.26 10446.17 30598.59 33520.06 15743.52 15137.13 28553.8 30238.88 27867.61 35743.62 48167.91 30110.12 15401.1 41588.8 36276.2 13430.48 22310.13 16586.02 15121.06 20843.37 17031.07 21294.56 13366.47 32916.07 13508.79 39180.7 26113.65 64104.02 31409.01 11621.51 26733.18 25028.54 25393.06 28910.23 47957.84 16102.52 124947.22 63580.16 5815.3 43294.69 23070.35 17871.05 22850.63 12859.81 30456.79 28157.83 26181.67 29096.87 24166.69 33135.64 24518.91 28232.04 24479.13 28199.31 Acetylspiramycin 440.73 2862.52 3286.95 2355.21 1437.41 5532.34 5684.09 7308.74 10775.62 6095.68 2745.54 6807.61 4839.62 624.22 2901.69 1624.92 639.49 343.16 3582.64 1763.4 6670.11 675.36 7530.12 2258.1 836.79 8609.02 3138.48 4573.66 1182.81 5123.31 4330.18 3634.31 905.52 4316.53 3553.9 27993.42 7516.37 6585.45 2477.67 2809.77 12464.63 11727.67 4001.93 2799.21 8367.7 3029.03 28981.37 9161.1 8063.8 19330.75 6803.48 6879.51 3677.93 5995.19 4724.87 5788.06 1667.57 2299.5 6103.16 4712.46 2298.61 2136.3 5147.16 4419.96 2303.4 8102.97 10021.42 3848.75 3485.51 6335.94 6750.49 4535.81 4072.18 5021.92 5693.19 8055.82 8084.27 8443.12 7946.34 8089.62 7944.69 7744.9 8012.12 8018.36 [(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-yl]methyl hexadecanoate 8573.75 2983.59 2837.91 31751.41 1708.13 7009.66 3917.82 1222.06 1180.42 2874.65 3656.45 801.05 9224.2 2297.32 1797.41 13762.44 3588.18 2072.41 150.21 176.82 1271.23 1072.99 2352.16 1251.83 2645.79 1776.91 1653.29 1698.41 1887.33 5107.2 1300.79 32427.24 1420.43 3548.31 9628.48 274.11 1360.57 113.8 1274.08 578.81 11619.72 14839.75 258.79 589.02 253.9 92521.92 905.98 153.36 395.13 7278.66 959.3 928.93 839.58 2962.7 108.16 1123.88 773.98 387.5 1258.37 984.37 1541.71 318.93 1790.97 564.88 2079.69 15278.11 1044.79 154.9 1566.66 1189.36 122.24 233.84 782.3 11339.65 1656.35 7518.74 7776.53 8408.24 7902.54 8363.4 8368.88 8345.09 8371.02 9344 Pfaffoside A 1958.45 717.33 988.07 678.98 536.33 939.78 1965.7 344.33 873.96 1518.82 320.86 1047.27 281.44 447.93 442.44 1042.27 1328.87 857.46 1362.7 1447.89 1224.2 402.67 2007.34 1294.12 742.04 292.53 861.38 896.93 1107.82 869.75 1519.96 648.64 1145.94 1518.52 1882.96 3836.29 4901.86 1979.59 1336.35 2235.61 2750.28 4401.48 2473.54 3898.05 1245.61 6507.24 1386.71 7203.91 5066.1 9403.54 3322.2 5120.52 3206.89 7137.82 4370.5 2484.89 1056.39 1201.31 3392.86 1951.5 2302.39 5078.25 3856.79 3444.73 2412.56 5442.38 6122.75 1423.68 2590.27 3927.61 4811.26 1447.77 7522.5 748.17 5066.13 4013.26 3672.36 3369.73 3434.99 3678.59 3480.45 3700.21 3390.45 3716.16 Didecyl hydrogen phosphate 5813.25 129.96 879.96 16671.4 3172.87 422.96 7000.63 1115.18 524.97 800.58 4724.92 1559.08 9592.55 1498.98 1391.79 24088.67 1236.2 2265 2051.56 1071.16 1954.75 607.68 1788.48 459.06 1042.53 1371.86 2198.13 1492.61 787.91 5108.45 2037.9 12847.82 764.75 8823.93 10870.11 912.97 442.5 972.24 1735.71 1450.17 8880.92 9428.88 1208.02 926.02 1204.98 74713.73 720.82 881.96 1083.43 1277.43 999.96 754.11 1343.61 3383.7 209.04 693.66 642.87 1077.7 956.16 645.97 902.15 1472.24 661.39 2171.93 2727.55 10735.02 1091.02 1088.57 1779.22 327.03 727.2 1048.11 668.97 12625.51 5382.62 5663.85 5943.1 5978.45 5996.85 5940.4 6013.63 6102.74 5942.91 6145.29 Chrodrimanin B 226554.78 34020.5 171229.17 77619.16 227660.3 70004.33 65077.08 159146.05 84309.25 50418.92 118392.32 43767 346974.32 267032.58 49483.37 86694.55 40292.25 30800.32 135511.56 10310.92 150814.15 20423.46 238026.78 146907.28 67022.1 35931.2 54815.62 302950.35 53100.63 26802.01 42973.74 118156.07 9958.14 515923.06 105128.69 32057.09 99882.44 98213.94 680573.61 39436.47 37057.22 114810.49 48886.8 247108.4 51144.72 418193.26 29550.54 14512.27 299582.72 103364.04 928439.26 110309.59 258740.23 161540.97 262284.38 6137.43 71837.74 39367.92 50069.22 44549.85 137662.45 232111.93 224167.7 109644.73 16683.39 172928.17 49919.95 97916.3 36953.16 73403.32 60475.42 48431.34 243922.51 109167.6 166719.43 144229.28 141479.83 141479.09 140286.26 141494.45 140469.03 139608.25 140846.53 141501.34 Mosapride citrate 45053.09 21247.04 576.11 6142.51 14347.17 23344.09 9695.52 19632.17 18064.28 11994.84 9470.09 9947.36 5720.34 7081.5 52038.17 23393.52 2607.25 30037.33 15624.42 79435.45 20236.49 17180.4 3198.53 5178.03 21151.47 8994.85 8211.61 12307.77 18132.61 16099.94 17757.58 16473.66 38662.12 7068.78 6338.61 17835.05 18682.51 16640.17 1309.9 12232.28 18918.38 47951.07 3506.13 12070.1 3353.2 7122.79 32081.64 12641.72 15717.74 14345.08 33981.45 12989.53 5643.44 1909.81 20971.26 14050.95 1907.18 3940.29 19983.38 7595.1 2055.22 6880.46 17470.88 9022.03 10178.72 26249.12 47114.73 6504.84 3181.83 33836.16 69590.11 10775.62 10265.72 3886.53 10190.79 19255.72 18983.38 16727.74 18530.22 19247.53 18176.03 19347.81 19294.47 19265.68 Phenol, 2,2'-thiobis[4-chloro-6-nitro- 13216.74 6947.88 12387.02 13982.18 19261.15 48871.3 14820.68 3594.37 2594.03 12647.96 22907.29 12769.45 7473.64 24663.32 6943.35 17970.9 765.45 12689.34 19989.29 11767.85 10116.21 21578.3 15401.04 19673.3 14079.09 18571.91 21955.82 16542.95 18593.54 3682.92 1412.35 13444.66 10572.49 13461.58 27288.25 10000.01 11019.27 38035.73 23355.1 17811.94 19597.06 31013.01 21508.92 22758.08 15231.05 7832.49 5260.89 13687.91 15534.22 29835.1 15520.84 7655.9 21723.37 21359.46 12756.49 12138.33 7277.97 7929.19 13788.01 23508.91 21901.23 18079.04 7325.87 11720.89 13052.72 16480.09 4968.08 9878.98 12646.59 6561.38 6307.01 25823.02 28534.69 25964.86 12971.45 21868.79 21901.99 18954.58 21884.7 22474.71 22027.43 21582.48 22461.13 22555.57 Dioleoylphosphatidylcholine 4371.17 7107.95 4647.01 9770.55 10056.01 8267.15 11299.37 9497.74 7627.54 7951.07 7438.14 2216.89 1703.61 6480.87 692.65 2508.37 601.32 2080.72 477.59 3664.16 9160.57 7580.42 4732.28 1123.38 2248.36 3127.03 3861.57 353.51 5479.9 1438.33 1680.89 2821.85 2227.7 19739.92 11629.16 18042.38 11768.91 23439.72 9743.47 11103.21 29356.86 27653.34 10468.8 11765.91 24145.74 10890.93 15666.96 15307.07 23718.09 36834.06 20875.41 22838.63 12302.78 20504.85 11322.18 17886.81 9125.46 6492.17 7989.55 7930.75 7831.28 7429.07 11274.57 8938.81 6777.67 15435.64 25394.74 9385.75 9378.04 7991.81 11904.71 9571.52 10212.11 19250.24 17376.69 16669.85 17331.86 17399.51 17397.68 17365.52 17162.92 17300.33 17302.6 17401.47 Ethyl 2-(docosanoylamino)benzoate 10394.98 10837.97 11792.09 12103.44 9320.88 9784.08 12795.74 17847.67 7024.05 6058.99 12922.55 5611.55 7273.35 7969.31 6431.23 7714.82 7130.25 8576.38 8949.42 15290.87 12783.88 7461.71 5396.26 8637.29 11825.96 9292.06 4650.5 7728.14 7762.11 9231.8 4378.35 9917.95 3013.81 10594.1 5566.24 8869.25 6454.92 12962.1 6321.29 4415.58 18380.43 9243.91 7061.28 7291.95 10784.34 11672.14 8259.07 17885.48 5677.59 8297.03 10005.28 3496.93 6809.05 3865.24 8306.87 6852.25 9285.36 6826.77 11713.58 7726.76 6932.01 6867.37 3967.16 8672.08 10137.91 13614.84 8350.73 12443.51 21717.6 9985.47 12856.59 7218.93 13192.21 12810.89 668.25 5561.77 6724.96 7051.22 7054.58 7070.36 6732.1 7324 6743.18 6647.32 Pipecuronium 37559.69 21281.8 6139.24 10174.71 953.33 26768.84 36065.25 13420.28 19294.6 20381.31 16047.81 4326.44 23869.03 22676.63 17407.43 14146.83 19251.02 1270.04 3100.3 4353.38 20181.86 17323.53 19784.86 19536.77 25367.62 27943.87 19898.99 28274.92 24508.32 5760.75 23938.67 14908.88 8329.19 24944.14 24298.2 21499.14 23797.73 25304.23 33258.7 13636.37 19922.86 22247.3 10782.09 18664.33 42789.97 20028.67 16204.39 10084.93 13463.77 29994.53 21557.39 30780.8 14160.68 19404.25 13585.46 20449.83 8330.69 5546 6218.51 16157.93 6415.56 25754.67 25140.25 15063.23 5875.43 31470.51 22382.24 19262.7 18751.42 12993.97 16323.04 17110.41 13696.19 15245.39 24963.26 18192.53 19901.22 19142.97 17370.76 10049.1 18294.72 19278.06 17996.43 19276.78 Cephalostatin 1 1160.07 1040.59 382.08 802.99 2269.64 793.95 1998.18 1373.51 721.97 919.32 1359.82 826.84 770.34 1001.01 714.74 415.26 532.85 2910.36 1794.51 703.2 3680.39 661.73 685.48 355.57 774.04 965.23 1010.42 881.34 1144.99 437.84 1472.51 362.02 542.73 5089.32 2104.92 8109.17 9606.66 4801.82 2591.93 4036.84 1367.25 11846.33 5796.86 5949.24 6050.87 5768.97 5989.74 10150.45 3816.63 7725.33 6045.41 6898.98 4078.49 1531.05 6531.68 5843.11 1275.58 6119.07 9081.37 16454.63 1703.51 6094.5 6361.71 10747.13 5445.77 7159.19 9451.55 1803.29 5896.87 14915.6 6087.7 10451.83 1534.79 3496.06 791.29 5013.71 4280.89 5295.88 5393.07 5357.49 7462.48 6118.17 6216.91 5251.35 Farnesylthioacetic acid 9429.85 8163.28 8260.87 7142.42 10012.5 7907.41 12057.84 21836.01 7544.15 8773.43 13858.92 5603.89 5782.4 8996.04 7971.69 7956.99 8329.56 8180.69 5787.04 8793.16 13885.54 3205.02 4813.36 8066.89 8334.83 8686.92 8481.85 8510.69 8002.92 8734.91 9094.1 8887.69 5795.72 8577.26 8325.86 8295.63 7804.19 9844.43 8378.56 6564.13 10822.96 8295.97 7922.92 8858.77 8571.08 8698.87 8798.26 8710.24 8628.52 8451.76 6746.21 7004.05 7293.64 8284.72 11700.59 6299.2 4847.15 7917.51 7647.22 7630.64 8125.48 7366.67 7390.94 8365.29 8696.51 8069.11 7012.54 9345.11 8867.72 8467.14 7554.3 8544.86 8934.76 10881.26 8205.06 4622.0 11484.86 4558.63 4528.47 4677.71 5231.18 4719.95 5105.37 4705.5 4480.68 5302.43 5004.57 4733.43 4963.47 4715.09 6507.33 5771.79 4703.95 4929.84 4612.58 5879.08 4765.8 5138.57 5311.65 5486.98 7700.56 7090.43 7875.18 7702.89 7783.18 7868.04 7709.12 7724.87 7868.13 (1h-Indol-3-ylmethylene)malononitrile 2353.52 2260.11 852.35 2509.64 6898.9 1017.81 1295.77 3691.37 5191.55 3026.6 2881.89 5719.63 3902.61 5297.63 3408 3409.54 1618.7 3515.11 5063.66 3581 798.5 1146.53 3411.71 3517.83 3833.94 2242 3321.97 3041.95 3259.28 1953.88 2965.06 3534.67 1769.54 3036.47 3283.05 2757.51 2813.48 1296.5 2383.94 1711.43 2068.42 2236.05 4236.48 2437.18 4619 757.29 4829.72 4358.79 3961.12 4641.47 2796.93 4444.48 2267.41 2615.87 3523.56 1240.83 4131.86 2238.36 2716.43 3048.76 3070.37 3301.73 1500.03 2020.84 820.8 5566.66 5547.52 4057.26 1838.08 4438.46 1680.96 4483.93 2311.4 1207.66 1398.89 2479.9 2585.54 2925.55 2556.46 2396.95 2304.55 2567.5 2598.72 2558.58 2-(2-Thienyl)benzothiazole 550.24 1553.03 996.06 1037.18 1943.68 875.18 2097.54 1367.21 687.33 1524.55 1105.43 2091.41 1906.05 1411.8 2046.33 1608.44 1811.14 1507.43 1517.78 1249.77 1351.01 1667.71 1254.21 1794.98 1330.23 951.83 1697.28 1276.41 2079.96 1157.86 720.01 1093.96 1522.49 2202.46 1444.41 1845.81 1088.5 744.45 1815.75 1400.47 873.57 1025.2 2086.9 1850.93 732.51 1350.55 1281.27 2746.5 689.32 1140.17 1042.56 1883.97 2021.89 1536.66 759.39 578.89 574.4 897.69 959.96 1255.03 1114.84 2234.18 1155.01 1689.68 1080.12 1557.07 1082.5 1586.81 1690.47 618.92 1117.89 1773.78 1292.26 1818.06 2084.24 1479.23 1160.27 1418.92 1509.28 1527.94 1423.36 1510.58 1465.78 1542.42 (Z)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethylimino]ammonium 2273 2961.36 1368.34 2146.87 1000.3 4695.88 3790.91 6354.58 2058.05 1369.18 1975.98 845.4 4080.38 12515 5303.51 2644.78 924.45 1576.84 6773.33 5577.46 7845.3 2703.62 3175.81 3249.67 2072.36 10055.17 2522.73 2375.99 11307.85 6091.28 13318.96 977.43 1426.86 2144.86 1317.47 4544.66 6012.64 3454.03 1476.46 9772.06 3908.92 5553.53 3026.63 3321.7 5057.23 638.83 2749.22 6970.41 581.09 6626.67 5689.08 5157.93 2649.75 3446.61 8046.02 4055.59 1497.22 1624.07 2993.35 2527.84 2884.53 2260.1 1360.8 2457.94 2579.2 5228.44 6283.39 3976.5 3066.23 7392.77 2728.61 8275.82 2088.73 1029.91 2922.8 6292.65 4517.94 7086.51 4627.46 5063.52 8440.42 10917.08 6956.77 8944.23 16536.69 13411.99 16265.08 14957.41 4803.26 11894.66 4913.89 8894.21 8456.65 6231.84 4739.29 16457.72 9477.45 6227.48 7711.38 3930.92 2998.18 3162.27 3011.97 3319.39 3172.85 3164.79 3145.95 2953.1 2449.69 2-Methoxy-N-(4-(trifluoromethyl)phenyl)benzamide 1720.62 7295.01 4910.57 8592.28 4468.11 8300.16 10281.26 5715.72 2305.14 7367.15 5161.85 8432.73 11566.42 8208.4 8207.08 5895.95 6507.13 5175.41 12252.18 3438.19 1562.7 7739.28 7887.56 9987.42 5857.59 973.25 9158.11 6746.29 9305.85 763.14 584.2 9107.31 7201.61 8540.48 8929.42 5484.88 5930.19 5985.93 8092.85 6681.64 1823.33 6398.55 8827.21 5161.74 4479.03 6568.92 5617.76 11452.16 6858.01 6348.05 4526.88 7864.96 8067.19 7811.1 5039.28 8911.98 3557.07 4044.15 4245.19 3817.44 9339.87 11338.76 4753.72 4937.49 4967.85 9093.67 962.33 8199.29 6503.42 4029.65 4578.77 7840.23 3796.84 7926.16 7089.13 6828.12 6914.69 6916.58 6917.09 6894.93 6823.28 7030.84 6824.94 6772.2 Bussein B 2033 497.51 1160.41 1747.1 2072.86 1221.37 221.66 16372.04 5752.4 5723.29 3948.76 706.28 594.14 1828.76 506.05 427.58 1642.24 324.7 722.85 412.38 1691.17 755.07 617.23 1640.54 204.39 327.21 1338.04 3094.82 172.73 2193.37 297.71 211.59 201.67 1856.47 1841.68 18911.06 8899.14 3776.73 3001.55 3395.93 9817.58 15999.77 1387.71 2212.76 13732.54 2280.1 16482.85 4571.21 13769.23 9445.9 8436.18 3300.94 1385.41 1729.81 7522.41 4313.27 310.12 683.09 6757.29 1443.63 715.55 2152.79 2967.23 2036.9 3115.18 8141.08 2976.38 7031.01 7552.86 11424.17 12683.43 7190.7 4375.14 1287.97 1982.2 6717.6 6658.1 6717.55 6696.54 6657.65 6615.86 6719.25 6709.03 6655.84 2-Bromo-4-(sec-butyl)phenol 6059.02 4138.55 4492.11 3298.76 3646.23 1282.64 5171.72 4659.23 3546.86 5240.61 4821.21 3928.33 4922.5 6734.9 5274.76 2263.95 6018.31 6974.56 4465.35 5469.08 4052.55 4546.74 4651.67 6548.82 3483.23 3794.24 5840.71 5538.95 1753.83 3764.26 3695.38 6202.73 4993.82 4207.14 4525.38 1881.55 3960.16 6848.91 5723.65 3506.34 5128.71 5788.73 6251.94 2157.85 3886.01 2365.39 6199.98 7643.21 3690.6 5772.8 5267.1 5470.09 4848.89 4910.23 1690.76 7421.39 7134.66 8186.71 1749.71 6159.6 7336.4 6403.44 6315.24 8347.82 7588.94 6336.62 4997.68 3525.18 6199.21 5119.09 6466.28 3948.84 8332.29 8051.81 5509.69 5777.72 5703.47 5783.7 5707.95 5787.11 5647.72 5737.49 5908.89 5787.84 Anagliptin 720.75 2579.16 3763.92 3295.02 4935.17 703.78 2456.1 1970.33 1964.13 1224.46 535.05 468.11 1816.94 1808.21 1749.31 1902.14 2919.88 3430.2 8849.08 9634.73 4786.9 3577.25 573.05 1796.29 669.86 1650.52 1772.29 1344.16 3350.91 961.05 1697.81 1339.71 3260.52 1889.86 903.47 1869.37 1245.17 578.06 1023.9 798.42 851.78 632.51 2846.85 2152.53 1934.06 509.6 871.74 2150.51 1091.84 1663.29 1775.68 1602.35 1863.98 2379.78 1596.49 1603.44 3374.18 2309.91 4993 3595.07 1371.1 439 3735.59 4564.33 1955.34 1508.32 2541.51 1153.18 1859.11 3823.26 2354.86 639.38 1902.91 3567.02 2561.52 2076.51 2089.47 2195.4 2211.59 2508.5 1418.29 1964.88 2178.71 2194.94 3-(5-Methyl-1,3-benzoxazol-2-yl)aniline 1618.27 1166.36 1676.09 6477.95 1246.53 1009.74 1302.89 343.79 1098.14 437.41 303.8 1145.4 324.62 537.6 348.3 760.01 620.14 540.7 511.21 434.35 513.93 1033.23 898.59 1209.75 1380.72 1924.14 1363.67 1399.09 18256.74 650.14 2289.69 616.62 351.94 2465.04 1960.36 1445.06 1045.52 986.7 1532.13 1841.31 641.86 1020.29 4138.06 625.82 887.1 2139.67 407.66 948.38 568.93 650.91 604.03 1562.81 948.99 711.77 661.9 873.62 912.19 845.6 377.18 623.9 913.82 576.21 1780.97 1912.37 547.77 1160.45 695.67 1065.42 1344.04 887.47 421.56 891.44 598.94 751.21 779.43 998.23 844.02 1129.89 1309.44 1172.65 1019.38 1009.77 1421.04 1040.91 Troxipide 14584.95 17886.09 1893.05 11420.18 15088.2 7395.37 10445.95 16345.26 7501 3326.35 6075.1 8196.4 10375.54 10377 7187.25 13195.93 7379.6 8985.03 12998.68 7145.24 7744.55 6437.33 1336.37 14828.74 15882.48 16324.1 15901.41 14975.95 29663.09 11029 1666.24 37034.62 6605.94 17454.82 12918.15 14442.07 14068.4 8708.09 12874.57 8055.07 7214.96 19565.9 14058.37 8671.94 11476.59 6916.95 18628.58 15608.82 13215.75 22903.96 11818.68 7865.36 13162.72 12870.2 9185.86 8097.45 4574.53 4979.15 9127.57 1015.88 2291.73 11187.98 10322.41 11557.59 2432.07 12200.8 14776.04 11800.23 8083.33 6675.95 10233.74 11431.42 2548.94 6477.66 8824.14 7092.26 7096.84 7115.57 7502.2 4548.09 5604.8 7167.06 6788.19 6573.15 4-Fluoro-4'-(phenylethynyl)benzophenone 828.37 591.09 875.01 1881.44 607.55 508.04 1458.57 959.98 409.86 1362.87 776.33 493.1 1512.07 788.64 882.79 459.21 573.47 1244.3 427.46 921.98 835.74 2200.69 1298.29 460.25 390.97 724.08 547.61 410.6 845.26 439.58 360.01 732.07 1152.62 1871.52 1584.33 900.85 570.65 1086.88 1150.49 1083.97 509.37 401.45 1835.34 801.87 416.41 587.38 391.79 385.63 1590.43 645.58 1420.61 1195.74 631.53 555.8 829.29 1609.28 992.88 1518.05 1087.66 3126.89 936.17 440.2 1208.51 1222.53 532.95 1389.01 1336.99 623.42 759.89 986.13 769.45 1822.79 487.88 1861.47 1257.31 1242.7 1239.89 1241.52 1245.57 1265.21 1284.3 1287.07 1284.88 1188.23 NF-kB Activation Inhibitor IV 576.84 1321.18 1936.86 2965.94 4547.1 739.75 4029.45 1003.27 495.03 1339.4 1951.39 9085.13 2632.23 2611.2 1554.27 4346.37 1933.69 1113.36 1069.81 583.45 705.72 1505.72 1894.62 1228.37 2077.95 1430.66 1255.02 629.61 4478.59 6114.51 785.26 2591.45 438.52 5066.25 3360.34 515.27 1207.02 870.69 4924.58 8345.11 1252.58 1415.98 2237.47 2880.5 442.41 4163.05 1285.08 1793.6 413.03 818.97 1518.88 4135.81 2121.07 5352.25 691.26 1233.13 1281.23 3707.63 11231.56 1786.13 1318.57 756.94 3133.57 3040.27 774.34 731.18 1129.73 1107.4 9276.04 737.99 884.23 1112.24 3487.68 5116.76 3946.17 1920.43 1879.04 1932.66 2148.58 1952.33 1974.15 1881.12 1637.61 1982.1 1-Isopropyl citrate 1056.48 334.81 374.52 790.05 898.04 615.73 168.43 232.96 1198.41 320.02 386.93 302.1 742.35 394.23 1326.09 275.56 575.95 2407.1 737.4 11517 500.45 368.02 590.89 711.23 941.17 1593.5 636.93 385 340.28 150.5 970.24 689.83 482.67 285.49 261.76 1328.99 1000.45 335.54 294.1 202.99 1698.97 450.52 307.52 595.15 694.91 204.49 387.86 326.02 235.06 435.91 625.49 605.43 295.98 160.46 170.19 187.8 417.26 344.2 580.16 450.35 349.48 458.12 402.18 480.76 660.96 1241.1 329.83 146.84 208.29 926.35 4266 428.01 390.85 143.93 298.82 1870.03 1664.81 1656.07 1669.03 1544.19 1570.55 1583.34 1677.6 1590.96 2-(naphthalen-1-yl)-1H-1,3-benzodiazole 20360.11 12617.25 13537.82 16886.97 22938.11 15240.97 19682.83 25212.75 26472.61 18074.95 14395.56 15140 9934.53 14876.34 22242.55 20019.39 14408.77 22279.39 20277.98 24529.69 6258 12237.73 11262.83 15526.45 18561.05 24446.82 14227.43 18049.95 21075.32 2132.31 22439.67 7643.32 15541.52 21008.99 16124.55 23911.62 21285.12 20313.38 4440.98 18594.29 19542.78 20661.14 20127.17 14323.85 20880.21 17270.17 20756.61 14894.86 13583.55 16042.77 21192.05 16831.94 8067.38 24092.85 18426.17 18623.23 15002.14 13553.98 19505.45 15425.3 6607.41 9476.93 22711.91 20608.2 13756.12 19880.23 11347.54 8471.7 13569.14 23499.54 20138.64 16932.42 18658.93 12530.79 15554.12 15447.89 16158.45 10080.79 15477.95 16195.77 15836.41 16162.01 16808.53 16136.52 1-(4-Fluorophenyl)propan-2-amine hydrochloride 1545 550.38 714.26 1291.52 3748.83 4517.42 610.92 2951.45 1890.5 2409.54 1034.95 963.73 1498.69 2028.68 1625.26 2025.29 1204.61 3908.54 3531.3 2220.82 2292.57 1808.22 764.98 1389.03 1309.92 1162.17 1466.9 953.18 2409.43 952.17 883.42 2957.78 2615.01 2004.33 1211.22 2076.29 3473.06 546 1388 1167.48 852.11 3500.52 1813.38 766.14 1566.51 1525.59 1640.91 1461.43 1150.66 1453.73 1554.41 2375.3 2663.1 1712.72 1358.81 1988.55 1466.69 571.93 3224.86 2059.54 1564.03 1390.93 1731.36 1959.48 1103.67 1151.51 1389.48 1655.03 1536.14 2556.69 522.37 946.98 1402.63 1403.13 1673.63 1589.42 1579.54 1608.11 1589.36 1572.4 1609.27 1721.11 1643.87 1646.92 Benzo[b]thiophene-3-carboxaldehyde 4441.57 3863.29 4896.75 3863.17 3820.93 2722.04 872.7 3652.41 4363.53 4653.64 2782.67 4277.6 5089.94 4171.93 4328.98 2310.21 3871.84 4008.54 4299.73 2570.21 2900.55 2991.83 4607.01 4669.33 4241.83 4690.48 3985.27 3593.03 2310.28 3019.98 3263.05 3776.95 4107.36 4296.91 4163.76 4245.32 3579.83 2105.22 3762.08 3424.45 2852.68 3481.71 4164.97 3773.99 3149.64 2845.46 4312.59 4015.03 3322.94 1901.59 3754.73 3544.08 3590.28 2953.06 3378.37 3613.78 3541.24 3030.37 2270.54 3407.72 3741.19 3702.04 3507.63 4200.63 4336.26 3521.86 3388.82 4587.02 3404.64 3882.14 4201.28 3535.24 2361.28 3041.37 3162.47 3769.69 3835.37 3835.49 3747.69 4128.89 3748 3744.24 3743.78 3318.86 1-Benzyl-3-phenethyl-2-thiourea 21750.02 24067.19 11135.34 11400.54 32119.01 28376.82 20269.03 26389.5 25112.04 16407.78 15736.23 16495.3 13441.61 17569.46 21688.61 18099.38 12493.6 19886.35 21977.72 24395.61 24290.35 18862.39 10480.7 18566.63 21389.62 24763.54 15233.7 16436.04 24837.71 9386.65 27200.63 20992.77 14420.21 16215.74 15440.64 27899.51 21654.58 22181.18 13213.57 13608.86 15217.5 22170.63 19113.12 14309.48 19684.41 5990.16 29026.24 20428.84 14054.89 16984.77 19282.08 11926.37 18336.35 15443.66 8969.19 18584.18 11043.56 10872.96 23075.25 22961.53 10546.85 5726.86 19031.14 13297.67 17838.79 16914.89 30353.23 13298.81 8730.14 12260.38 18541.94 14876.86 17643.02 17881.57 17511.9 16128 16926.29 16116.09 16886.93 16007.85 16743.58 16903.42 17257.22 9517.29 Indeloxazine 8087.25 7387.28 23927.67 1817.42 6927.71 131850.97 6966.6 21398.95 7929.17 17791.88 2826.79 5756.74 7269.92 6432.97 10244.09 7349.8 6508.82 9368.22 6835.84 7917.01 13544.28 48285.76 4901.43 8551.2 17852.45 8780.55 3956.32 2027.34 22139.2 5785.58 8927.01 1365.8 8394.93 7341.33 6454.39 9785.47 11757.43 11510.23 8519 47920.56 26895.97 9206.67 25104.81 16957.17 7382.25 6866.05 9012.46 7507.71 10634.58 5120.31 8630.56 15939.02 8665.4 4087.55 9067.24 14505.44 6081.92 9449.74 8149.79 48106.81 14505.43 9648.87 9227.42 9903.75 3972.81 12342.09 10380.99 6595.14 5728.7 7698.19 11094.45 12998.64 7751.98 19253.89 7607.1 10573.7 10962 10996.54 10317.79 10150.81 10527.55 10927.39 11107.17 11347.26 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride 5938.37 4825.62 2477.24 2951.9 6387.01 2046.14 4483.71 4689.22 7510.98 4421.32 1052.77 4912.25 2706.24 3247.24 6402.55 5301.12 4771.82 2961.55 7492.23 8373.35 5351.18 5662.33 4340.51 2286.49 5994.96 5399.07 4886.12 5259.78 6169.42 3870.46 7068.32 5800.76 2771.09 3180.39 3613.99 6507.94 3402.74 5685.3 2084.06 3120.73 6632.27 5650.36 5493.85 3189.36 2706.21 1648.22 7564.18 3507.79 2203.44 3896.59 5983.77 4107.37 4433.9 3712.08 3446.71 2555.11 1869.73 3619.62 3420.3 6350.91 3165.24 4360.08 4256.71 4755.64 5737.89 4014.16 6192.62 3784.08 4556.38 2553.36 2889.48 5498.08 805.06 5325.01 5914.66 4989.01 4930.26 5104.59 5218.99 5006.58 5088.85 4996.45 5181.97 5133.62 3-Bromo-5-nitropyridin-4-ol 3320.71 40592.66 20401.94 3947.56 61747.21 139396.72 56832.33 25373.73 19230.87 48127.51 84309.12 39774.69 26016.69 76230.61 45300.64 68429.2 74476.7 44030.34 66055.69 47768.34 26601.42 71302.82 44095.44 61294.42 47869.88 57650.97 63672.19 54882.99 58847.56 22401.34 61109.69 54830.67 39221.71 44345.69 72990.79 30626.1 50244.11 138178.94 76181.02 63068.82 78759.75 97093.8 73016.2 78506.55 60738 36540.3 27173.02 51846.56 62342.59 95428.22 61392.64 44051.6 69518.34 77590.28 50160.39 53165.68 29585.74 37013.73 60196.93 86852 65088.02 60762.62 42061.96 43088.78 52151.09 61099.94 31825.19 29219.69 42969.03 33453.98 43146.22 89176.35 102791.47 88338.76 49335.3 62514.49 63564.11 62239.46 63563.02 61522.91 63628.35 63992.38 54890.19 62590.24 Glyodin 24696.82 6320.37 34984.23 10211.05 24217.92 36268.54 701.3 10130.42 6186.29 10660.71 10390.29 4437.63 4019.94 7460.81 6312.21 29213.63 14804 49013.13 14572.06 23842.09 2763.42 2184.35 11622.99 2447.22 26189.28 509.07 4302.65 7999.41 6135.76 19856.31 14644.86 7207.46 2852.92 22202.66 2857.2 28083.21 9174.18 9333.33 10713.77 4354.28 15126.96 4950.07 6061.73 12317.21 17804.33 7158.58 8302.35 11233.19 27444.18 11975.68 16025.42 1344.11 5206.07 6489.45 11041.95 7565.12 28710.1 11286.63 28754.46 18698.14 27649.4 25784.5 4664.53 9229.7 14704.81 27293.05 11075.46 23566.95 11503.92 11707.33 11527.58 8108.14 5032.27 4179.59 16349.81 12076.19 12411.08 12555.23 11968.23 12021.86 12432.57 11860.3 12000.9 12423.45 3-(1,3,4-Oxadiazol-2-yl)aniline 11011.39 10518.06 12283.63 8604.63 10054.09 6867.73 4989.86 6838.19 11889.23 8542.92 981.31 4659.86 7133.4 8150.04 9014.21 7830.94 4964.81 8367.13 9014.59 5684.09 5125.42 3835.43 5547.05 11238.79 12466.13 10801.33 11264.69 11299.23 12079.33 7786.34 8402.94 10670.89 4769.28 13023.67 8970.62 12758.33 8733.99 5959.9 10858.23 9805.43 8559.15 9157.96 11256.88 8496.55 9572.93 7469.9 11022.24 8579.31 6723.8 8323.73 8916.91 8423.59 8725.65 6146.34 5075.94 8287.54 9012.48 8477.67 9228.48 6081.72 8522.46 9495.42 10012.9 10470.6 9250.63 9146.51 7912.27 13537.41 7991.88 10459.52 10197.24 7831.85 5443.26 7745.87 8725.51 9503.4 2630.98 2217.05 4777.87 2668.99 1382.4 2177.76 2329.48 997.12 1524.27 1616.15 2583.06 4754.07 2184.95 3044.09 1179.25 1391.38 1704.46 1185.64 1242.1 1420.8 1585.03 1160.45 1089.45 1686.09 9556.49 10083.61 9673.34 9497.6 9496.48 9682.55 9495.24 9312.38 9494.31 Val-Arg 1766.2 1618.35 1729.86 1996.71 2910.28 2054.1 1703 7699.26 10676.73 3203.55 1001.46 1772.15 2002.17 1528.8 5318.58 2564.02 3183.99 1662.38 662 5953.35 1931.38 1245.25 869.34 1509.76 6303.7 4292.39 772.81 1641.67 3595.24 1886.64 2169.88 1936.57 4014.75 1028.11 1753.34 1462.8 4548 1229.54 1355.21 7134.01 2124.93 2286.76 7532.73 1115.2 1516.93 1525.45 538.89 1795.56 1138.6 1630.04 2799.5 1613.56 2096.24 2979.82 2719 1833.56 5654.41 4990.48 3045.2 7702.82 1742.82 1369.33 5122.11 2516.72 12235.87 1921.45 1948 1137.07 2512.27 4626.93 7057.12 1427.62 4462.33 4383.65 4504.47 2250.58 2030.67 2362.07 2306.2 2346.72 2142.28 2136.3 1908.87 2976.9 (4-Methoxy-benzenesulfonylamino)-acetic acid ethyl ester 511 2645.88 583.34 744.64 2010.83 2048.03 920.58 1474.74 867.47 509.38 2455.48 347.22 1026.34 1261.27 2381.23 1077.27 980.25 2550.03 1192.86 3406.27 779.99 1312.91 631.69 860.76 1143.79 5504.09 1389.93 1301.63 1420.23 298.58 1226.25 584.59 2146.17 1223.46 558.62 2114.6 655.03 2935.5 467.93 895.77 1090.46 3781.31 532.42 380.64 2601.27 993.95 5715.59 571.77 2102.3 1375.28 1234.87 1182.68 1231.18 626.98 555.04 1203.1 746.95 380.24 654.23 2213.04 627.97 805.39 639.47 790.64 765.73 798.36 1343.69 1544.14 413.73 1586.14 1146.71 3774.17 593.69 572.64 794.76 2071.23 1912.62 2072.92 1885.13 1828.34 1900.32 2051.91 2007.45 1013.46 Gly-Gly-Val 4585.49 2790.4 2662.46 37839.91 1639.66 8559.66 6829.75 412.94 3147.65 2844.91 1552.66 5795.73 99892.59 4481.3 2633.07 9602.88 2669.93 2010.96 1512.01 13841.68 1136.18 3282.81 645.83 3050.09 3339.18 2538.03 2323.47 2894.49 3270.08 3715.28 2442.93 5966.25 1198.12 2760.04 1343.28 2446.97 2308.22 2740.32 3464.27 2857.4 3655.15 773.84 2441.77 2808.85 2365.2 7637.15 2958.52 2190.08 987.14 1180.93 2771.4 2600.14 2106.1 2027.87 1953.01 2649.04 3309.29 2395.98 1465.02 2212.79 900.16 3280.42 2526.93 2643.25 2323.83 3638.17 1952.72 2269.74 1909.71 3036.75 2688.35 2942.41 2912.72 1626.32 1387.74 3943.22 3465.17 3066.46 3049.13 3535.68 3207.67 3239.5 3280.65 3538.89 Tenovin-1 29450.07 30072.87 19088.38 17252.49 33738.88 33286.41 10508.15 6547.87 4150.29 25188.35 7579.85 12505.53 13244.93 7939.81 24324.39 17304.53 1178.18 21097.65 28165 9578.36 3523.52 21974.54 9591.59 12831.73 27605.04 3607.56 1375.96 17414.42 37799.07 5348.67 4994.52 30591.23 19198.84 15369.84 5933.15 3290.18 5284.07 4967.85 14443.37 4742.46 22726.6 34385.77 6312.84 13951.23 27206.07 4906.09 3359.58 6047.66 12754.99 26518.74 14809.91 21683.52 13258.68 16952.54 13196.51 12783.36 16050.83 13670.05 5289.38 14776.88 9705.67 14372.3 6817.84 7913.7 8384.99 23520.71 3200.15 2986.67 4135.95 10487.79 30329.05 16786.11 4254.11 24592.36 12603.25 11223.15 10585.67 12296.1 12338.39 14017.84 9511.23 9851.78 12373.84 5140.87 2,5-Dimethyl-3-thioisovalerylfuran 10620.39 10793.02 7576.81 8400.33 7084.22 19331.39 5035.37 12150.63 14672.42 1771.9 3518.6 9532.24 3236.4 5062.69 15849.52 6878.76 4929.48 12505.33 12168.99 12630.71 9126.57 8858 3778.31 6821.81 8429.66 12110.85 9228.96 9393.84 6460.23 1437.37 7804.63 9573.78 7859.28 11507.58 10518.25 12899.47 4165.24 10127.74 4068.2 4233.68 11525.93 16860.71 7161.07 6320.05 10582.03 10315.08 9703.13 8785.05 3711.25 11131.37 11157 10895.75 6716.67 6440.22 5928.32 5500.1 1435.22 8359.56 10678.34 9077.95 4754.38 4906.07 7995.85 6978.54 8357.36 8766.82 9506.99 4772.82 4124.63 1511.33 8488.87 6519.19 2397.95 8021.61 5731.12 8560.45 8367.81 8616.39 8236.49 8559.53 8567.14 6962.96 8236.51 8571.5 [5-(2-Chlorophenyl)furan-2-yl]methanol 5863.5 6825.43 4607.19 4855.94 5414.3 5688.72 4031.88 8309.23 9136.26 5896.99 3804.25 4513.13 822.88 2353.63 7325.99 5182.84 5724.3 5427.16 5489.27 6995.98 7282.19 27113.9 3359.1 5552.22 7184.13 7883.06 2822 4401.59 6879.77 2870.28 2776.81 2060.24 5958.98 6281.66 5790.25 3987.64 5570.61 7526.04 3380.94 4803.27 4338.58 4320.4 5251.8 5474.33 1711.04 2133.83 5940.27 6156.28 5409.67 5693.67 3759.06 6595.39 3712.64 4450.11 5665.66 6637.72 4226.3 3065.51 6242.81 8066.36 7130.92 3842.22 6464.06 5660.44 5244.74 5446.92 6445.5 3957.18 4288.06 7891.61 13807.97 5637.5 4442.69 5953.12 3698.72 5341.59 5343.12 5301.65 5450.22 5459.44 5327.12 5450.43 5338.13 5438.97 Phytuberin 5075.66 4429.94 2848.61 3562.34 1272.07 1517.75 808.37 7392.04 7326.41 3540.83 5185.17 3425.67 2227.95 5811.72 4859.15 4291.63 2136.23 870.04 1955.11 3082.47 1897.84 741.44 1597.97 3672.62 7794.58 7738.58 3362.89 8495.24 1943.31 4400.65 4085.36 1353.3 4214.72 2747.21 2736.57 3829.59 5002.76 4253.83 4985.25 12760.01 3179.08 2218.63 2069.11 8618.82 3185.56 3198.79 3989.94 3831.35 839.69 3070.89 4345.19 5213.07 3220.31 2330.36 7827.39 4058.8 4710.93 3901.41 8076.1 6223.76 6785.83 3906.26 7543.7 4886.99 5118.25 5485.18 4825.3 6499.61 7205.39 14212.81 4298.49 3434.24 5294.96 3286.04 4709.79 4248 4027.11 4014.92 4270.65 4239.68 4000.03 3696.93 3913.95 4532.06 6-Cinnamoyl-1,2-digalloylglucose 424.96 735.13 2089.27 801.85 868.5 1249.68 2078.87 1062.81 3598.22 1428.48 820.26 1096.07 3955.49 2031.68 769.7 903.17 930.29 625.12 2686.64 2921.54 2097.72 406.98 939.07 627.25 375.19 414.14 406.35 614.84 915.95 1074.23 2681.66 2462.75 804.23 1661.93 554.85 1692.99 1582.2 1249.04 1559.37 470.79 3412.78 2811.8 2100.07 1231.43 2029.23 2240.64 2131.89 1931.89 1928.13 1929.72 1459.02 2468.3 1113.69 1730.12 2524.61 4120.96 1481.08 1706.37 1466.55 679.1 1015.33 1248.7 1618.1 1214.99 1117.51 2871.75 4742.66 1169.87 1047.4 1735.52 859.34 436.61 1331.94 1144.95 570.93 1948.25 1947.99 1919.5 2058.91 1530.99 1922.03 1983.12 2014.39 1994.77 Kendomycin 5614.17 5859.71 4999.77 2798.92 5277.53 2626.84 11234.95 12646.01 3275.15 2053.43 12530.66 3947.45 1200.14 5132.74 5045.71 1859.05 4420.98 5242.01 2119.06 2084.49 10118.14 869.16 4946.26 5971.43 1558.05 1430.13 7052.24 6167.5 1389.71 6139.73 5217.39 3421.44 2830.64 6661.77 4491.5 3714.06 4926.75 6192.42 5814.78 4984.66 2864.32 2393.41 2743.37 891.48 8884.34 6539.03 3971.3 6031.58 4937.66 1315.07 8498.45 2810.94 7381.12 6643.26 12356.84 3970.83 7314.05 5731.71 3147.86 7609.23 5541.83 4210.7 3989.38 4590.6 3698.51 8541.62 4355.78 6936.17 3238.8 6415.72 5622.86 5686.23 4587.31 6320.85 6424.9 4686.12 3078.22 3798.66 4272.08 4247.26 4173.38 4249.42 3927.15 4558.41 4-Biphenyl-4-yl-2-methyl-but-3-yn-2-ol 2046.24 3362.62 3070.62 3518.75 2564.53 2247.65 1330.35 789.01 2723.85 2739.05 1563.06 1579.68 1468.75 3116.8 2205.43 2125.77 2880.05 2330.21 3536.12 1928.83 581.39 1440.34 1795.14 3156.24 2583.25 2770.59 2944.61 2462.26 3534.39 1520 2171.08 2767.93 1231.56 2602.15 2648.81 2818.76 2100.27 1504.33 2107.56 1392.71 1901.47 2002.31 2833.08 3106.75 2516.35 2215.85 2479.7 3176.41 1563.8 2402.06 1504.52 2604.81 1851.37 2975 638.83 1545.78 1220.68 1884.99 2764.16 1778.89 1556.44 3096.32 3718.69 2430.57 2943.97 1492.17 2171.41 3798.7 1493.58 3767.26 3155.53 2082.96 1507.7 2623.52 3048.05 2550.21 2304.27 2159.48 2172.15 2287.1 2184.1 2175.86 2077.98 2228.92 N-(4-methylphenyl)-1,3-benzothiazol-2-amine 733.45 696.56 2000.77 962.9 931.03 991.47 1187.09 590.61 1894.33 786.56 798.64 5375.42 1151.87 962.6 1542.44 2270.53 1351.58 4465.2 1851.51 864.97 906.11 643.05 1389.61 948.88 5227.97 4713.84 806.94 1184.19 1274.78 727.17 980.1 949.52 1098.55 678.9 1092.12 1202.12 588.07 733.26 732.85 1001.07 613.84 1675.47 887.25 632.55 519.43 662.65 691.72 782.36 1436.69 1198.64 762.04 880.85 706.04 724.43 712.9 917.09 674.71 736.25 806.43 784.64 887.61 1307.34 674.86 1111.59 1167.78 1045.46 658.44 823.68 2480.6 1036.54 1805.74 762.01 1115.27 806.1 899.28 1011.92 1064.84 925.6 1005.91 1062.03 1056.62 1060.74 1057.98 1195.29 2,2,6,6-Tetramethyl-4-piperidyl methacrylate 1685.11 1963.6 1861.19 1218.55 1416.68 1363.62 683.99 2143.79 2190.06 3376.17 1999.6 1448.66 992.85 1202.85 1187.01 1088.48 942.22 559.22 1806.79 933.62 1585.63 518.36 1533.63 1770.26 725.41 1286.73 2775.24 2040.98 801.72 1467.82 766.89 1702.67 970.26 2314.02 1707.62 1867.4 1922.34 1053.22 1327.21 1010.4 1279.41 1590.87 2006.11 682.54 1064.89 1181.02 1149.65 893.35 737.98 1215.29 767.68 1044.8 645.65 1302.22 974.28 2164.47 951.1 739.51 849.07 1114.29 896.8 718.11 1654.72 1016.77 510.26 1416.68 885.83 1138.48 1153.83 1313.68 1823.92 2461.5 1908.65 754.22 5521.49 1231.75 1314.71 1197.55 1344.31 1301.8 1176.49 1327.48 1313.01 1310.41 1-(4-Hydroxyphenylazo)-2-naphthol 3506.95 1948.36 1059.01 2251.03 4942.86 7728.47 5779.33 1555.01 3373.12 2075.56 2195.28 2754.99 3104.92 3162.41 2147.1 1590.78 2799.42 2991.76 1682.04 1949.68 1901.73 1743.79 1971.84 1388.35 2940.31 3551.82 1252.6 1601.2 1966.74 446.9 2846.23 3639.35 2228.86 2511.55 1663.81 3205.92 3051.38 3413.3 2953.01 3189.73 3265.54 3788.9 2489.07 2835.43 1996.35 2402.38 2982.55 3249.56 1559.51 2957.86 2490.56 2784.2 1994.18 3405.16 1956.5 1526.33 2511.05 2652.55 2054.63 2990.66 1638.35 1869.62 2738.95 2527.24 1314.84 2347.82 4547.01 1570.68 3033.9 2387.98 2271.82 3477.78 1606.81 3580.14 1532.97 2782.52 2985.6 2821.88 2279.82 2886.94 2823.61 2753.04 2740.9 2819.8 ([1-(3-Fluorophenyl)-1h-imidazol-2-yl]thio)acetic acid 1317.59 2205.13 1473.14 1765.67 2064.08 2770.75 2557.27 850.68 802.94 1893.39 1704.86 2831.95 2977.13 1816.77 2572.47 1511.97 2299.37 1201.47 2632.43 742.42 634.76 2553.32 1867.09 2979.05 2566.92 1714.47 1868.06 1535.33 2164.55 1225.99 1342.64 2476.29 2327.35 1970.42 2324.7 3271.83 2019.53 1471.48 1757.58 1555.27 1277.17 2768.37 2536.05 1513.03 878.44 2319.42 2084.29 2683.4 2972.52 2747.89 1731.17 1847.29 2068.03 2815.4 1798.56 3391.35 1321.5 1838.7 2189.22 2187.39 2982.06 2336.34 2394.6 1873.09 1505.39 2268.4 1316.12 3220.26 2537.23 1825.78 2194.12 2315.54 2086.31 1872.92 2805.93 2479.09 2478.47 2479.88 2486.96 2530.79 2541.65 2528.63 2660.18 2378.16 Alprazolam 16165.1 14664.6 20921.86 15939.65 18996.23 9001.36 13400.27 23513.12 15407.23 18474.18 5410.02 16165.18 20716.64 15365.96 15835.95 14020.85 12771.01 16850.22 19941.45 14335.94 17771.84 9485.04 15354.04 17307.46 20430.58 18827.71 16699.32 12326.16 21802.33 13457.44 13010.37 16131.55 13677.81 20278.04 14703.57 21171.86 15693.35 6389.44 13971.79 15533.81 7945.42 11563.06 14438.46 12728.2 14713.57 11543.6 16508.32 12792.07 10611.34 11812.91 11006.82 10793.94 14545.46 9994.17 12192.89 14803.59 14222.77 12651.98 13639.2 7934.02 13271.36 13561.83 12262.99 12372.23 14218.37 14459.23 12605.41 19012.48 17002.67 18328.56 12157.65 11264.4 6583.01 8817.1 11667.32 13628.86 13275.8 13657.33 13559.33 13655.68 13541.69 13653.4 13653.72 13653.58 Fluperlapine 3198.44 8615.57 4070.93 3608.16 1404.24 8779.37 8316.06 11513.64 7344.02 7692.06 7753.12 4490.35 2608.04 4554.47 7559.2 2515.05 4611.16 796.84 5404.29 5204.61 7086.06 4443.24 1528.61 8292.43 3537.53 10025.73 7029.6 3016.68 11887.07 1360.42 1212.3 1647.14 1341.7 8067.6 3438.37 6976.64 5405.57 1836.24 2511.43 3596.37 8264.66 6309.26 6471.53 2803.07 7480.66 2595.14 14499.79 3829.77 1689.05 2415.32 6906.99 3530.16 3494.02 1411.39 3111.82 1986.49 1267.28 2412.63 8395.61 3755.91 1496.87 4134.99 2723.9 1579.55 2802.76 7213.72 7611.29 1041.63 2277.51 9303.1 11230.99 4308.52 1553.65 2534.08 2166.17 3171.53 2986.81 3702.65 2708.15 3098.28 2802.69 1292.83 3106.31 2779.31 Allyxycarb 1879.34 2223.12 3451.23 3842.93 8761.15 6301.3 5528.63 5967.83 4281.44 3965.31 1057.08 5395.21 5868.17 2281.78 2582.64 9893.17 3651.14 1874.71 2267.41 3567.46 3233.89 3093.38 776.77 3245.37 3167.85 2229.49 4226.94 763.97 2437.02 1838.34 2221.7 6784.65 694.12 4134.81 2615.81 840.64 2081.51 1062.63 1815.05 661.1 4794.37 1025.09 3351.08 715.35 2552.75 4603.72 2507.98 2404.26 4092.6 6969.53 4168.39 714.24 533.52 3534.8 8442.87 2961.89 682.16 3240.81 3762.95 3942.73 694.05 3335.43 2102.6 2384.23 1914.79 3637.85 3306.05 2374.57 1905.32 3384 1341.39 1906.61 1576.32 4205.81 6152.83 3673.37 3562.74 3780.55 3751.49 3752.04 3571.85 2018.81 3515.88 3764.49 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione 1182.12 2421.52 1239.06 1181.01 940.16 1076.49 1107.32 488.16 1808.6 2969.99 400.6 870.58 572.53 2597.32 2068.09 1855.07 2036.37 1992.82 2616 2562.11 1541.33 3213.47 607.51 1379.46 1725.15 4295.2 3505.55 2802.23 1584.18 960.91 1793.11 2226.97 2336.44 1247.79 1021.23 2593.68 364.94 2377.57 512.49 513.75 1022.37 1172.93 1011.46 1240.31 1419.76 1562.16 2266.59 2145.34 529.44 1306.45 441.41 457.02 1515.9 885.76 1714.83 1849.99 455.89 901.04 1796.58 2877.42 533.1 804.02 1433.4 1337.32 1427.77 500.79 1151.14 2799.01 1009.49 2047.44 1866.54 2380.57 972.98 1611.98 2245.91 2302.31 2291.98 2162.17 2171.98 2439.87 1576.65 2280.27 2227.95 2186.57 4,21-Dehydrocorynantheine aldehyde 2371.22 2421.94 2703.72 1736.41 3133.43 954.94 1392.26 1782.31 2541.63 2604.43 624.78 1897.56 886.91 2704.02 2725.6 2788.6 3045.36 3553.2 2510.8 1467.59 2752.47 1207.28 1460.63 1858.93 2568.78 1762.77 2819.89 3037.5 2756.2 2171.93 2341.27 1576.75 721.98 2353.39 2144.24 2527.82 1430.81 2095.01 2440.78 1312.95 3188.39 2127.2 2031.49 2606.13 1983.2 1271.49 2875.09 2116.91 2487.42 2880.48 2941.76 2274.5 1884.89 1710.14 1164.1 2716.15 2526.82 2070.1 2408.68 1823.76 2742.24 1571.4 2148.29 2379.68 2229.35 3006.36 2166.5 2808.84 3151.79 3518.06 5025.63 1759.87 2801.27 1876.17 2431.66 2441.87 2515.55 2433.78 2439.36 2519.77 2516.57 2524.44 2432.65 1999.01 L-Cladinose 5795.91 4406.92 4918.07 4076.04 3212.36 4674.21 5126.87 5315.07 4962.84 5345.42 3363.47 2848.74 3643.57 4336.68 1945.77 4014.75 4167.56 3619.34 3608.21 3814.52 4877.49 1806.64 4279.31 4950.79 4975.27 5793.26 3997.13 5496.68 2905.6 5285.38 5561.3 3498.8 3854.16 3663.88 5137.95 5053.68 6212.66 7165.4 4605.85 1932.93 1469.63 2751.41 3783.9 5619.98 3727.44 2518.62 4009.46 4478.78 3479.27 4459.15 3769.44 5825.15 3466.31 3508.48 4408.57 4002.81 4459.05 3465.62 4666.01 5138.19 4870.25 3377.57 4051.43 5391.76 4681.34 3066.46 4386.11 4157.54 4735.12 5420.36 5024.28 5929.77 3790.31 5428.5 4398.13 4142.65 4204.74 4205.06 4386.23 4515.37 4220.94 4358.89 4622.6 4370.95 Paraxazone 792.29 1553.9 1048.09 1001.58 760.75 551.67 1087.05 531.83 490.28 847.6 441.29 2266.94 1550.69 512.41 899.12 1468.54 705.92 845.62 587.72 576.51 686.94 787.49 1746.83 1908.15 1083.08 835.09 2476.91 1619.43 1941.1 1304.07 590.13 653.63 941.58 1070.17 465.57 2026.99 953.17 1458.45 1020.24 1488.68 627.28 1032.84 1147.29 1052.94 1105.85 864.31 816.87 1826.55 1767.05 1254.88 1731.63 545.16 590.17 900.27 872.07 831.66 933.72 1122.87 821.33 1601.35 529.33 1138.87 953.02 397.85 1088.59 684.8 1117.04 1256.57 622.37 923.76 1358.38 1544.62 1226.83 1728.4 974.9 1342.58 1332.07 1163.83 1339.12 1353.86 1213.05 1271.79 1326.51 1325.05 Melleolide H 563.48 1638.03 1346.78 2719.6 505.4 4118.05 587.4 904.36 2351.85 1390.07 1575.41 1740.38 8005.47 1254.37 725.19 1314.11 2069.2 17212.51 1380.57 1858.3 4350.85 839.2 533.65 3856.19 1582.13 821.08 1175.88 368.58 1469.06 4389.44 6905.3 694.42 440.23 2024.35 1492.92 1138.94 420.34 2573.17 2053.88 485.06 16734.51 5030.02 3346.35 933.8 2181.46 392.61 2322.7 3985.06 1584.74 6204.83 2565.29 840.21 1827.9 966.99 1644.46 2023.88 2229.93 769.17 478.32 1782.4 877.42 2159.35 595.15 2289.47 1032.15 4358.38 5910.79 1385.22 3787.18 3155.97 2060.94 2398.49 1355.78 1779.88 2169.42 3420.37 4511.41 3813.12 3905.27 2065.43 3413.81 3721.94 3524.86 3552.88 Doxycycline monohydrate 199.37 703.54 194.77 357.32 797.8 350.72 290.15 729.7 569.95 511.36 172.33 242.77 288.89 192.44 606.39 334.21 540.6 225.38 387.91 382.34 385.98 311.5 332.21 405.75 454.8 169.04 169.49 268.77 476.15 815.07 187.56 1082.73 294.43 632.64 288.51 390.22 231.75 264.76 414.94 388.62 441.94 328.85 563.46 612.94 373.01 330.92 784.18 352.88 324.38 219.23 515.97 879.93 744.07 382.34 465.92 320.57 325.95 341.31 326.06 1044.45 441.98 367.95 805.76 413.79 280.54 980.11 236.25 409.51 279.26 368.52 480.96 415.19 445.81 562.3 374.1 1077.74 1281.24 1259.02 1218.44 1153.45 1222.22 1349.02 1281.53 1203.27 1-Undecene 3588.59 1719.64 1143.63 2062.27 2782.13 2486.19 3260.71 2191.56 628.05 690.17 1091.78 4545.64 3722.25 3726.86 2487.03 1851.28 2066.4 3065.76 1113.08 3817.7 2057.05 2047.2 2626.53 3296.46 4038.4 2845.47 2571.69 5139.82 3682.43 2794.54 4600.6 1478.41 2500.61 2163.5 4743.5 3450.07 2918.92 3127.44 2344.39 5873.26 3894.45 3027.94 4272.85 5046.64 4193.79 3253.02 3408.35 3189.84 2821.08 3903.93 4830.49 2013.14 3666.18 5337.79 4483.65 1918.53 2917.93 3015.38 3225.49 3636.96 1635.63 5224.95 3621.69 3113.3 5787.74 3431.44 2700.55 4891.5 4693.05 3439.97 2728.48 2309.95 5346.45 4851.93 5019.66 4562.14 4460.42 4413.42 4312.22 4623.03 4946.06 4295.11 4275.97 4200.65 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol 1401.71 2719.86 1750.06 656.17 1447.36 1807.78 365.74 959.93 842.14 1471.57 1817.42 1917.72 1948.59 3826.92 3304.12 492.91 330.57 7282.33 4813.82 2030.28 1147.37 1770.21 1240.93 493.23 298.34 1083.42 270.05 383.78 2730.64 2239.56 8106.64 3344.33 1015.33 1935.88 571.01 2862.84 541.34 1699.13 1449.3 522.31 10132.46 6883.27 382.42 1034.16 7981.78 969.67 3939.32 2167.6 2604.86 8525.71 2058.56 2864.16 1551.85 2521.8 3143.95 5846.71 2158.34 669.95 547.93 411.37 364.83 1168.78 1509.94 486.59 579.79 3880.82 7335.6 1246.65 1651.91 795.77 427.79 676.64 349.59 2633.09 2582.99 3013.73 3749.83 3339.93 3450.17 3289.86 3137.09 3430.91 3454.57 3314.42 Proacaciberin 2583.92 4020.72 3193.75 2419.95 4917.06 4181.58 4621.18 4833.26 4406.72 4301.75 3239.28 3652.51 3956.51 2481.14 4335.78 4400.08 3754.82 3770.65 1984.85 2424.87 3108.4 3756.19 4248.35 3335.87 1240.81 4588.12 4631.88 3503.83 4097.1 4713.48 2649.67 5794.44 5597.38 4680.98 3302.03 3378.69 4102.53 4839.54 3558.76 4160.94 4633.31 2939.49 3634.81 4040.68 2931.71 2306.42 2726.32 3314.1 3346.54 3089.1 3762.17 3506.46 3163.56 2063.28 3992.04 3416 4540.61 4167.38 4185.9 3871.15 3481.1 2113.26 3085.67 4076.31 3253.96 1378.44 2833.97 2855.71 3383.86 3755.87 3636.81 3950.83 3450.28 4218.72 2788.95 3074.68 3298.2 3435.78 3558.88 2574.27 3418.88 3335.96 3388.64 3431 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid 7304.01 2959.42 6326.89 6921 1864.91 2927.56 4783.06 1132.26 1808.14 892.85 3364.16 1002.11 2607 5858.24 1106.96 2977.93 1736.98 1131.54 2838.92 1217.83 1817.93 2552.87 2623 5734.67 778.6 826.35 2996.83 5091.89 1589.2 837.48 1176.97 1888.29 1664.88 4290.92 2846.83 2680.69 2917.61 2317.14 10693.7 2899.24 1363.15 917.95 2761.23 6258.43 1613.13 8215.51 828.7 2664.89 1826.98 993.08 7241.27 5981.23 4395.63 6053.84 5507.32 1581.75 1932.53 754.41 2095.09 2406.4 4647.09 3352.81 7392.28 1711.81 1686.45 4699.29 758.1 1528.27 4156.37 3182.41 2033.34 1829.45 8058.74 4286.39 6207.04 1448.58 1536.57 1536.63 1184.34 1386.89 1541.45 1459.87 1557.89 1795.35 (E)-2-Butenyl-4-methyl-threonine 8190.13 4401.05 2492.78 5876.76 38519.14 10228.32 9246.85 10647.06 7161.85 7173.99 5075.02 6703.8 6684.65 5779.87 2929.42 12155.41 5778.75 5887.77 7445.02 5343.85 9943.35 3477.17 4563.53 3038.32 8453.01 6389.11 7834.17 5105.27 12855.25 4588.14 7534.36 17790.08 5224.99 7494.65 5859.87 6683.77 4166.57 6041.71 2506.72 2532.62 5544.49 8666.57 2990.48 3062.46 9216.53 8992.01 4793.66 4756.84 18436.52 9715.92 11852.17 6458.41 5800.55 8717.49 11761.08 3462.04 2530.67 571.48 14159.55 4417.52 3884.07 6912.76 7049.91 3129.87 2100.34 15653.22 3554.7 2807.76 2839.54 3629.05 5019.37 8242.9 4557.91 3593.59 5209.77 7698.77 7758 7459.57 7633.27 7467.86 7721.34 6284.01 7736.34 7724.94 2-Methoxy-6-nitrobenzonitrile 948.47 565.83 909.73 644.01 842.31 1346.94 646.59 1651.83 755.33 382.78 366.3 1049.84 592.87 380.02 594.14 1146.63 862.44 453.13 830.93 1110.5 1592.4 357.86 975.54 771.57 794.18 1012.7 636.36 526.36 644.9 4004.37 739.04 569.13 651.43 884.73 965.65 614.3 889.46 1951.89 589.38 973.96 542.81 714.36 1389.61 2154.57 612.28 1026.71 697.75 847.83 452.8 1431.97 921.1 987.45 1054.64 1265.34 1464.71 1046.95 10191.16 2116.38 1058.55 1005.47 1808.11 589.2 1066.71 1604.5 383.64 824.54 891.08 2009.26 771.17 851.92 1543.56 529.43 1345.84 1019.88 669.33 1341.99 1192.23 1142.43 1456.88 1315.43 1256.35 1253.81 1308.86 1266.32 4-Nitroquinoline N-oxide 3691.64 774.71 612.9 932.68 4636.02 6269.78 1101.23 4533.38 3938.02 1509.27 1104.81 2054.05 944.18 842.59 1682.81 2049.76 666.48 2651.36 708.8 5465.29 1832.55 1013.94 724.33 970.73 3042.1 1604.46 1380.95 2007.08 5999.79 1036.87 3359.54 2387.15 1777.15 871.23 657.63 3165.47 2705.18 1210.17 1331.03 1561.17 3141.22 5024.9 764.87 605.69 3062.05 903.92 4478.64 2259.59 2816.99 4256.4 2690.51 1321.39 708.94 876.98 2512.95 741.29 827.82 477.49 2490.16 668.61 901.72 966.09 1009.82 734.61 825.47 2373.09 822.19 1821.68 1990.82 3601.43 3275.99 1278.34 1476.84 778.74 508.8 1962.35 1828.38 1227.9 1851 2026.51 1926.54 1985.45 1928.07 1821.59 1-(4-Cyanophenyl)-3-cyclohexylurea 1621.23 3186.71 2509.48 2259.68 2083.5 2545.45 2226.11 998.8 1876.59 3479.15 2814.37 3283.81 3043.68 2395.18 2159.19 1018.24 2194.97 3275.35 2255.24 1052.72 1766.41 2043.79 1273.24 1655.48 790.7 1113.2 2066.4 2945.41 3955.82 564.27 2263.09 1426.63 2287.13 2575.86 2214.7 3394.54 841.08 1967 1040.45 3342.39 792.27 1804.48 3472.74 2898.37 2879.4 1908.73 2259.22 1759.63 3384.7 1888.34 1057.29 2575.82 2985.56 1682.05 2756.7 2449.55 2459.86 1206.96 818.54 2538.09 1356.54 658.24 1773.62 1647.59 3034.57 2995.5 1693.87 3576.53 2561.23 576.89 2441.97 1183.49 2163.84 6355.96 3430.11 2502.55 2370.77 2443.81 2501.87 2515.46 2506.34 2398.49 2389.34 2306.34 3-Fluoro-5-(methoxycarbonyl)benzoic acid 1062.68 426.97 5832.47 3233.04 1075.32 3275.64 2426.04 1306.55 1462.78 2074.4 2809.79 1574.59 2398.79 735.41 1273.19 6701.88 5686.05 652.53 1347.14 1460.08 370.32 542.75 3138.67 4072.23 411.13 1273.77 2261.37 543.12 1721.13 829.28 1731.57 481.24 1057.16 4157.81 6131.64 1969.61 2276.37 456.17 403.99 7927.11 1248.54 1507.43 4287 3440.36 362.7 8525.93 2827.35 520.82 809.76 2236.01 469.14 2172.46 6597.2 8692.12 6862.75 394.68 3386.92 7406.39 388.34 1533.55 6420.15 2400.12 2613.27 12423.87 4272.4 3309.22 2054.51 3838.99 3369.31 2522.94 1742.46 3240.22 9404.87 12667.2 3112.25 3238.82 3440.95 3148.9 3503.86 3335.34 3440.28 3444.76 3405.18 2988.28 Ethylenebis(N-4-carboxy-2-pyrrolidone) 908.46 1042.35 792.62 887.81 1692.9 2407.76 1012.81 2723.31 3856.3 1484.16 986.48 1710.94 1465.08 1444.36 1860.86 2186.5 1348.03 1823.47 2183.53 3757.79 2773.9 1728.64 890.39 1137.88 795.66 1869.86 1597.69 3348.83 2053.86 2302.45 1501.71 1159.05 1736.64 904.43 624.29 4042.88 1392.94 1122.02 1122.11 997.32 4168.64 2801.7 628.83 744.18 1870.74 3593.44 3120.32 1950.36 2448.29 3261.8 2483.93 856.22 523.36 974.14 1021.53 1279.26 758.95 859.13 1381.75 530.48 884.68 719.69 870.74 597.17 1118.35 1689.83 1093.6 1500.56 1403.44 1627.52 3531.82 713.98 2434.93 925.1 1399.03 1539.45 1511.23 1384.56 1520.6 1633 1506.86 1530.2 1659.98 1616.89 Brassilexin 9807.77 1298.06 6541.16 2827.37 1659.95 3312.52 2695.58 2140.64 1744.54 1112.11 1670.48 2448.8 3794.71 3707.18 817.9 1514.67 1609.56 3142.87 3458.13 680.73 2126.62 1512.14 5696.05 8551.01 1153.39 1459.31 3200.43 7541.3 2326.77 1241.24 796.53 1320.99 1434.87 4023.23 4382.5 548.24 2377.25 2597.7 14493.27 4635.51 1122.86 1001.84 3599.29 8185.8 2155.26 2052.87 2569.17 3966.45 2255.84 2476.23 7951.9 4489.18 4113.17 4254.96 8273.16 1759.45 3406.51 3364.28 1635.07 2188.03 6637.14 4751.08 9936.72 2273.96 1413.88 5482.58 2880.55 2490.31 3892.58 5105.25 2283.03 1378.88 5742.14 5348.9 5063.75 1822.42 2632.06 2282.69 2252.08 2171.62 2397.57 2123.88 2358.44 2426.41 N-(4-bromophenyl)-2-cyanoacetamide 4515.33 4446.73 4697.36 4724.25 4463.98 2766.83 5119.99 4088.32 5138.8 4222.44 3246.55 5167.65 2936.94 3710.86 4577.13 3586.11 4028.23 3473.09 4225.09 4151.19 3603.52 5089.57 3949.08 4508.85 3812.93 4183.72 5015.96 4281.64 4222.48 3699.37 4316.87 1664.91 4308.87 3595.8 5001.29 4253.89 5175.01 4736.4 4873.29 3993.59 5420.4 5108.39 4166.95 5450.14 3070.23 5573.68 3725.12 4398.45 5244.57 3989.65 3794.74 4769.84 3797.11 4248.72 2966.25 4767.38 3691.54 4207.33 4050.79 4986.15 4285.87 4568.92 3713.84 5303.17 5132.84 4777.95 4652.9 4917.44 3835.54 2692.46 4607.38 4652.89 5205.59 4610.11 5380.89 4538.81 4622.02 4573.87 4631.61 4543.15 4259.72 4634.92 4679.97 4636.38 Rizatriptan benzoate 609.67 1455.89 7636.7 884.87 2293.81 4948.77 6402.63 3732.26 2109.25 1291.16 405.79 1507.54 15775.02 3033.94 1267.45 2582.24 3548.85 1151.26 2815.42 867.13 845.02 2284.79 382.32 1711.44 2145.72 2102.1 1259.54 1831.4 8485.71 2220.2 554.58 2359.81 2179.07 1529.01 6389.39 5317 1785.27 6065.33 1121.54 828 2827.43 3236.3 577.5 1058.71 6271.93 5152.19 10682.24 7309.97 1087.85 5406.33 4048.37 5660.62 1874.77 11872.78 6549.82 3895.2 10029.44 5912.03 2325.56 2522.87 5782.62 2386.06 6664.01 4862.83 7110.63 6097.63 5669.3 3802.13 1845.96 2127.03 1473.75 1050.31 4305.45 3556.17 8125.56 3058.58 3921.48 3805.32 3652.89 3754.62 3939.06 4314.56 3671.22 3905.37 Azaspiracid-1 2627.8 3498.87 2237.74 2752.95 2449.2 7498.91 5112.86 4775.55 6834.6 4737.35 2379.81 6236.06 6170.52 4218.7 1860.67 3135.73 1419.24 2187.29 4816.77 14155.29 1921.81 13574.99 10358.01 2547.25 4003.33 795.14 1727.41 11744.85 8141.01 6997.91 4567.81 2573.83 2078.08 3361.95 2491.88 15809.32 5498.46 4864.64 2177.34 2023.63 8342.57 8003.83 3060.47 2049.31 6679.96 2681.63 19573 6972.2 6726.52 12792.48 4644.86 4790.64 2955.28 3937.51 3986.29 5797.54 2131.9 1702.76 3189.77 4093.97 1361.12 2254.32 4428.44 3253.98 1296.5 6085.85 8274.54 2286.72 3245.98 6252.33 5476.47 4620.15 2733.57 3692.36 5232.74 5481.25 5413.19 5846.67 5611.02 5409.6 5549.49 5548.13 5439.36 4675.08 2-Oxophytanic acid 325724.02 397981.46 310601.68 240875.91 442402.84 795860.51 79334.73 189024.21 211016.1 251037.21 146352.15 387467.62 546065.87 568922.94 299168.75 420004.35 311006.29 659879.24 705729.11 707223.93 353714.79 435164.5 268365.85 115321.39 243956.56 502072.43 211791.21 233944.37 559097.54 560370.99 637637.01 885378.43 359211.82 509362.11 225898.99 448580.64 236393.85 560033.46 245898.82 349749.8 717431.86 617930.29 350338.86 345424.88 623663.19 135604.39 397416.02 409541.38 541714.2 890764.7 503279.03 537021.62 367178.13 551834.54 328930.59 655620.31 285958.07 232926.28 279097.44 163071.39 289663.92 345554.79 358859.54 283200.01 260524.57 412314.3 657563.41 330873.75 263539.72 196374.86 301844.59 400385.34 270254.93 398516.53 335106.53 303033.89 336261.18 330772.06 332135.88 336219.29 330771.64 331660.91 331003.66 336265.92 4-Acetamido-3-fluorobenzoic acid 10109.99 7349.7 9420.05 6970.46 9623.12 6703.52 4013.4 3703.23 11429.04 9820.88 2138.29 5390.44 7836.15 9137.06 7002.43 9045.25 5553.54 7058.5 7934.56 7190.97 2645.47 5181.14 6690.23 9722.43 11438.32 9965.83 9667.12 10656.52 9734.29 7520.69 9805.01 8216.03 6384.03 8779.87 7404.44 9808.57 8088.62 5197.89 9076.5 8793.76 6540.92 7479.91 8609.58 7711.98 9491.96 6047.61 10506.98 4826.56 7697.2 6936.7 9227.89 7979.56 6573.28 5603.65 3825.97 5391.12 6751.66 7457.4 6213.3 3984.4 6391.87 8293.48 5560.6 9298.04 9312.25 10455.9 8779.94 9606.67 6930.57 9785.81 8547.05 8064.83 5052.19 6122.56 7422.37 8573.67 8478.55 8923 8250.35 8550.42 8458.67 8574.66 8455.94 8576.91 2,6-Dichloroquinoline-3-carbaldehyde 795.14 1801.24 842.3 1215.39 1065.6 642.26 1041.63 624.41 1837.36 1547.08 1007.5 1042.53 952.64 940.84 2510.2 2410.79 1568.31 1376.59 917.14 1850.99 689.59 1077.85 512.3 1151.21 1099.86 513.62 640.17 956.01 1223.23 1343.94 1412.96 1132.96 453.71 1120.07 884.81 1036.15 2802.8 1187.95 1253.31 2691.5 1482.81 778.85 989.43 1171.41 534.72 1061.6 1283.74 881.72 818.19 792.14 1630.51 1150.88 1126.46 1353.54 758.77 2638.85 1427.53 1057.23 571.89 582.29 2480.75 1077.25 3211.1 1794.92 1301.31 1043.17 2907.14 1129.14 2003.74 1785.66 1704.74 1503.3 2963.12 913.48 568.38 1402.59 1274.71 1326.82 1260.73 1066.68 1317.3 1436.5 1055.65 1330.64 Propaphos 364.22 2494.71 1078.51 945.49 1981.55 663.82 1634.45 2566.07 429.57 970.75 650.05 1640.45 1375.04 856.4 1741.56 1810.05 1062.87 895.56 2310.7 1192.58 1028.9 603.17 1608.13 2213.82 1252.61 1405.03 1788.8 1942.54 1583.45 670.4 1474.04 1711.6 2195.83 1830.19 1746.04 1763.81 1475.33 2100.49 1837.89 1390.04 578.49 997.14 1016.63 1667.12 888.11 1339.92 1728.05 13453.01 2403.78 1204.38 720.91 939.15 2307.35 2455.18 1617.45 732.21 2457.53 919.05 1041.8 1476.81 2917.77 2141.59 360.48 1372.84 1674.02 1423.86 872.02 2525.59 1782.94 1785.19 1621.41 1409.98 1348.27 2006.65 1249.23 2370.03 2367.65 2320.77 2363.59 2070.96 2317.48 2682.92 2423.14 2420.28 Cyclohexanol 1081.79 1557.55 1811.87 2334.53 2507.62 6314.49 3115.43 2058.36 1767.68 1732.93 2452.21 1858.56 5530.96 2424.57 2779.55 2203.14 2424.34 1184.65 4550.18 733.43 1241.95 4445.47 2652.21 2194.3 1622.33 743.97 1725.85 2174.62 4630.57 546.98 2240.02 3165.92 632.13 2495.91 1584.75 2157.24 1222.66 1384.66 1342.48 1224.99 670.1 2810.12 3377.07 2084.5 2632.78 2295.78 2756.91 3460.33 1015.18 8229.52 659.04 2309.62 3026.99 5047.4 983.03 3228.2 3033.07 1106.46 1029.36 763.06 1132.16 2541.49 1887.37 1863.35 2361.35 3329.3 1016.03 2792.69 1485.08 1087.62 1642.53 1691.65 1905.41 3337.59 3161.56 2039.3 2073.95 1938.88 1894.98 2011.82 2055.2 2070.51 2030.48 2076.71 Guanosine 3'-diphosphate 5'-triphosphate 3435.38 4174.97 2754.05 4969.62 3452.14 4450.82 1919.59 3728.4 799.11 1257.76 3917.87 611.44 1627.99 908.59 1035.26 908.47 1158.66 1311.18 634.74 835.58 2193.06 1095.66 584.01 3908.06 3063.88 4622.07 5181.09 4309.95 1672.9 3708.12 4954.62 4031.03 905.53 2125.27 1097.24 4416.08 3441.39 3938.54 4489.46 4345 5222.51 1433.36 3294.1 1118.28 1122.72 3967.12 3463.84 3923.93 1431.25 1044.79 3127.61 1047.98 1276.42 1242.71 1077.43 1978.53 1321.93 1200.76 681.59 990.74 626.01 1910.1 1772.43 1918.05 1250.61 1170.19 1810.09 1088.58 1326.95 484.2 905.59 1121.27 615.97 4028.75 1008.38 1472.44 1530.01 1475.64 1488.67 1620.63 1533.56 1458.55 1427.89 1536.74 1-Benzyl-3-(4-fluorophenyl)urea 8728.1 6218.2 2935.36 2437.52 13809.64 6598.97 8905.11 12195.86 12913.43 7216.32 5789.75 8271.05 6674.77 6451.29 8708.39 6672.82 4605.56 10548.24 8971.4 16563.56 10790.7 7106.27 5318.79 5118.59 9145.18 10700.24 5812.58 7189.98 10796.68 3740.17 15209.58 11956.6 7016.21 5873.88 4963.81 8559.42 9818.17 5298.78 3736.79 4632.73 10479.73 14415.87 4112.05 3302.18 11675.44 7760.72 10780.47 7923.97 6970.34 10877 4923.78 8303.48 5581.5 6296.49 4629.46 8190.89 3292 1713.94 7718.09 4632.6 2756.68 3916.79 5637.69 2932.51 5343.61 9316.04 12645.44 5921.14 5107.86 10443.17 10501.8 8010.78 5590.6 4664.06 6345.62 7351 8265.85 8258.47 8467.5 8419.43 8304.72 8259.58 8359.73 8314.05 (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2704.5 524.44 416.16 860.13 1769.5 3586.51 3894.85 860.63 1146.8 1326.47 3251.24 2657.38 2429.1 3368.91 2253.13 5126.27 2000.21 1131.56 5165.79 4536.34 1541.37 4327.59 2229.58 3972.28 2365.47 493.47 4109.96 5513.45 2841.36 3547.47 2964.24 4987.38 1345.12 747.54 2804.11 1080.86 2284.69 15688.66 2994.77 1844.94 7429.19 4278.32 3354.6 2816 3303.99 1671.58 2912.5 3220.7 3995.7 8428.81 2214 1340.11 3057.64 2473.26 1973.1 396.75 548.92 425.95 1818.7 1686.54 3132.95 1831.12 2295.74 1994.94 703.73 635.7 2436.15 2752.29 3496.82 1723.71 1480.91 3268.03 3252.25 1226.83 3441.39 3443.72 3961.76 3339.51 3610.24 3428.97 3385.67 3342.63 3336.5 2826.38 2-Phenylpropylamine 943.66 2522.89 636.93 651.26 704.32 470.4 658.97 1839.61 1154.54 1475.85 517.86 1311.47 1843.49 1625.38 1848.12 876.71 990 2098.72 2023.4 1165.47 1474.55 782.93 886.1 953 1943.52 835.64 1430.48 1739.57 2186.3 1254.97 460.42 1539.48 1794.96 586.99 553.18 1867.33 1244.03 875.25 648.83 1278.34 767.31 1437.94 806.65 789.89 1381.96 1256.5 1567.68 2898.24 902.62 2009.11 628.29 506.81 540.93 473.33 686.1 1761.14 770.17 596.25 1384.02 657.45 542.06 958.1 719.21 513.31 1469.07 1863.1 595.85 2047.57 1668.2 1615.39 1686.86 1852.05 663.56 871.7 1545.03 1710.77 1562.05 1569.11 1513.17 1534.51 1591.94 1592.34 1519.62 1511.64 Triethylenephosphoramide 17673.89 17922.87 13828.43 9289.51 14479.45 12838.9 15118.33 18824.62 3715.19 9184.6 16069.02 12269.92 9637.79 11278.79 7210.42 11699.42 1674.3 16778.31 9623.94 14071.34 23383.44 17656.89 8410.81 9098.07 14319.6 12999.16 12424.85 15362.3 7614.4 10824.16 9196.3 12600.89 8298.21 23400.3 32840.68 9629.76 17350.03 3388.31 11834.56 12050.24 8466.22 13335.01 18594.88 10350.14 13697.66 11564.95 14277.98 8371.59 10909.02 13515.59 16709.48 16763.6 24281.35 16380.81 10920.2 9735.79 5333.54 11890.95 3092.61 7311.51 9550.75 6574.8 18782.18 26402.75 14415.37 21904.47 17972.43 4348.01 7786.44 14880.75 8191.26 8188.64 14520.97 16160.87 5839.52 9083.74 9045.05 9122.41 9229.53 8386.77 9091 8099.39 8041.5 8874.15 Triamiphos 33278.86 30750.63 41555.21 29199 35134.12 16715.82 16787.2 33961.87 32790.81 26046.82 5762.43 16441.97 19315.88 25062.51 22720.73 20586.23 20651.52 23492.83 29812.05 19818.42 23174.21 10917.57 15234.88 31322.35 39574.92 40420.3 35577.96 34879.43 35165.8 23519.13 21948.74 28446.73 13226.55 35766.25 25826.48 39609.23 24137.37 9061.3 26446.73 21516.43 18731.1 23525.4 29171.67 22910.35 29540.65 16748.58 35049.07 28953.41 15188.7 19150.95 20336.18 22044.91 24611.29 15156.52 16294.71 24994.51 22558.5 21662.68 24778.34 12516.87 21023.95 13196.51 21902.17 22189.98 29363.64 27783.26 19711.27 36529.22 30466.88 32156.93 25451.74 19475.83 12793.27 12411.15 19600.01 26693.21 27451.66 26684.02 27011.25 28402.83 26688.61 25995.39 27253.83 26738.6 Cardanol monoene 786932.33 676817.38 672311.82 897271.17 1492805.96 881276.03 941693.97 1116080.95 1142514.68 1342207.72 962157.85 926446.63 1318900.56 893837.14 684936.82 1051408.7 1389575.99 350660.76 1159766.92 1352047.78 1224947.54 655476.61 848267.72 1019742.7 921393.04 601991.63 652944.66 795811.25 1973956.21 1661848.5 1604346.89 2276231.74 870820.56 1295616.93 1373973.25 1067591.98 502700.84 398087.64 504037.87 634969.35 1687382.64 1805880.54 813451.57 954051.57 683585.04 735320.27 1455705.72 784903.73 1134075.91 1719965.4 1651230.01 789378.53 1080239.6 2299401 768101.85 513465.55 665553.09 441077.39 968887.71 369918.14 788927.47 543100.49 596388.97 1128635.04 816003.37 994028.16 1066133.82 1145176.65 827727.98 838167.82 552798.7 861371.32 726513.2 1004582.35 1226021.32 1076095.74 1077000.92 1076202.69 1065452.51 1074999.52 1070258.05 1072334.6 1070238.59 1070149.74 5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidine-2,1'-cyclohexane]-4(3H)-thione 6069.3 3778.64 4331.89 1567.59 1539.52 1407.76 4480.28 8137.71 5072.11 5688.84 3455.34 2224.33 3155.3 5638.29 2880.81 5034.16 4973.67 3994.58 2839.18 6197.04 5686.71 3055.02 3761.02 8454.95 5707.86 7233.11 15545.29 12996 4499.18 1635.21 3381.73 2336.63 1791.96 6588.57 4331.16 2171.32 5316.26 2200.91 7253.84 5428.56 4203.57 8494.27 2278.78 6213.99 5763.83 5417.82 2894.04 9634.84 5586.63 6432.25 2830.43 7585.53 1373.73 4631.81 1853.25 2958.48 884.87 514.66 2176.85 3226.48 3246.05 4460.75 1517.84 1355.53 1790.57 2887.22 2842.71 8124.49 3185.11 2933.61 2894.39 4989.45 6208.72 721.73 3593.42 3987.05 4721.74 4456.55 3947.59 4125.26 4259.95 4195.07 2690.93 4271.03 Chlorimuron 3202.74 3803.03 3524.51 3426.87 2313.92 1566.21 3245.41 5125.04 4551.76 1804.75 758.91 3393.08 4059.85 2926.75 1447.04 1716.72 3389.37 3797.43 4113.36 3324.42 2976.09 797.33 2412.52 4768.93 2691.66 3147.72 4052.62 1791.87 3667.95 1334.87 1933.47 2642.71 2212.27 4333.12 834.86 3327.99 6088.76 1253.3 2779.91 2303.56 2734.65 926.27 2223.09 2577.06 3302.21 681.97 3379.28 3625.12 913.48 1374.33 1797.64 1559.62 2626.47 1765.11 1231.8 2319.98 818.08 1940.85 3732.85 1158.24 2110.81 2012.6 1799.11 2336.29 2195.63 2148.42 776.8 3585.49 4673.92 689.02 4165.35 2705.64 1174.87 1198.82 2105.99 2563.34 1497.47 2612.75 2569.55 2499.04 2444.7 2525.93 2277.11 2307.72 2-Hydroxy-3-nitropropanoic acid 1237.2 5182.65 3325.66 5280.01 2133.84 2108.57 3461.63 2436.18 861.45 4506.85 4963.3 3393.35 4402.95 4588.56 3580.26 3982.78 1767.34 3766.43 4834.53 4778.11 3194.59 2233.36 4081.97 3801.27 1747.19 2709.75 4457.77 4069.23 3531.91 5333.88 3830.05 3888.61 2956.05 1803.19 3733.59 5284.15 4042.88 3906.69 1686.63 4341.53 706.55 2244.31 4746.56 2713.98 4564.9 1630.25 2691.41 2390.08 3434.29 2284.73 3374.15 2655.88 3433.66 3682.2 2210.08 2826.17 3651.32 4468.03 3364.13 2288.67 2729.39 3979.09 3398.95 4044.64 4693.04 2098.98 5154.62 2199.74 3674.67 2355.05 3826.92 2349.71 2717.29 3376.58 3315.06 5867.56 3931.0 5589.24 5401.68 4736.11 6601.79 5072.71 5482.28 5055.72 6140.85 4852.25 5433.94 5170.51 4952.7 4497.7 3939.28 5325.58 5140.62 5376.33 5214.04 4878.54 4967.6 4565.4 4566.28 5754.0 3329.5 3549.37 2685.37 3514.31 3355.31 3587.09 3517.36 3341.52 3544.26 11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide 7231.41 7617.08 5335 2342.11 7075.03 2261.53 1228.53 2075.52 1995.01 784.7 558.66 5352.18 6497.16 9269.07 8547.23 6763.28 4727.42 17208.47 9859.54 17829.1 685.38 598.91 2588.42 3166.28 3297.61 512.53 761.44 3112.07 7004.32 6186.43 13526.85 18521.24 4043.57 1412 3596.65 6208.12 1052.83 1077.68 3334.93 3107.74 10766.23 15900.82 4811.85 2417.21 12283.51 3170.79 8183.04 5714.2 1635.89 16368.67 1991.2 6915.39 4090 9180.7 7654.9 18000.03 6505.62 6635.96 1836.1 3351.9 1691.08 2586.2 6470.24 3447.19 5171.16 10421.92 18581.63 3476.55 6458.63 2861.67 1524.48 3774.85 1714.96 11083.16 3958.84 5118.64 5385.33 5376.87 5259.26 3132.72 5071.06 5379.51 5225.47 5393.26 (2S,3S,4S,5R,6S)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 35622.07 29978.01 35816.14 28073.96 35785.81 15941.82 26376.13 56280.96 41008.12 35665.89 10611.64 26940.12 31014.73 30842.94 30153.01 30073.8 25130.42 33587.91 41725.68 28748.88 38282.51 17838.21 32719.12 33258.62 37658.56 37669.04 31328.91 35626.71 41874.15 23751.52 25248.62 34650.69 22725.94 36559.95 32034.85 40117.43 31704.76 10034.52 27973.62 23922.53 21143.15 24892.75 32728.82 23852.89 34836.88 20032.49 34106.86 32646.95 17898.14 25860.21 19709 23838.51 30039.56 19622.29 22053.49 24539.48 27799.84 23427.6 27116.08 12918.63 25543.74 19124.57 20237.43 25718.44 30828.22 26513.96 22278.14 36094.69 29074.24 37681.18 28033.44 23617.08 11396.57 16367.72 25168.29 27988.23 27756.85 27220.94 27860.43 28091.09 27980.3 27777.06 28032.87 27668.1 2-cyano-N-(4-fluorophenyl)acetamide 1264.72 1918.38 557.5 1724.78 1908.02 1950.44 2414.48 1258.79 487 2830.24 1954.78 2258.22 2380.28 1980.46 3637.98 1389.87 1836.67 1661.91 3890.98 572.4 1071.38 1839.52 1933.12 2421.83 1759.42 1482.37 1933.95 1289.31 1412.67 901.62 821.39 2942.45 2205.22 1954.73 1814.88 1832.04 922.25 2092.85 1991.17 2106.58 980.45 2427.9 2139.66 1859.05 1533.14 1347.04 2009.11 3024.44 1966.37 2842.92 915.77 1961.09 2170.11 2062.52 1207.96 2243.82 1495.19 1049.29 1580.76 1084.24 2072.21 3098.75 1069.56 1535.9 1183.4 2247.75 1231.63 1512.01 1289.44 1805.2 1433.43 2575.5 1159.22 2200.02 1686.72 2227.41 2322.54 2536.42 2231.81 2235.62 2271.99 2129.45 2269.48 2317.22 Boc-D-proline 3770.84 3431.87 3742.2 5122.82 8065.07 10530.19 6634.94 10230.26 14620.88 4966.02 1027.39 3755.17 4113.12 3855.42 11022.46 4790.41 3182.82 6084.16 5749.71 4299.06 6286.46 6966.9 4151.04 4844.81 8050.9 25245.59 5789.36 6084.87 6855.63 1799.54 6237.78 6354.61 7825.2 5897.15 4766.33 6349.4 7142.91 4653.99 4167.38 5836.57 3653.23 5257.32 5815.27 3733.73 5282.6 6947.49 6750.77 3067.65 5974.17 1842.53 6471.21 1840.98 5742.39 4995.01 4831.86 5051.15 5135.66 5220 6384.85 8842.9 2731.86 2491.86 6592.65 2961.52 2670.09 4971.86 6596.68 3085.94 4273.62 5056.25 9371.77 2080.87 4374.25 5604.17 4594 6104.89 5996.63 6105.35 5828 6065.58 6114.64 6115.96 6046.39 5902.59 Vomifoliol 5605.67 6429.34 11380.71 8045.99 2165.26 1633.81 6663.28 7330.34 10762.15 10328.52 11949.16 7173.87 7406.7 11089.65 6339.14 9411.09 10330.42 2222.99 10222.78 3718.32 1948.23 3270.77 9474.35 11524.82 10904.86 10427.84 749.88 9666 3416.59 4415.32 2517.26 10872.73 3436.33 15301.22 9796.48 6828.53 10252.51 7258.11 10130.52 12325.7 2709.21 6144.31 12886.28 8971.54 7513.86 6571.39 8290.01 874.38 7587.75 7884.07 3508.75 10284.32 11577.44 5151.07 2319.25 8524.55 6843.37 7762.34 4212.4 2603.51 13052.83 14744.46 6540.15 7037.6 7943 9827.07 4714.8 6914.7 10371.93 6503.51 4393.15 15263.11 15011.37 10767.74 3422.06 6006.49 6113.46 6029.96 5508.96 6612.47 6008.14 5204.87 4220.14 4640.79 C.I. Basic Red 9 6332.31 3284.76 7093.5 7856.93 922.14 3660.84 5328.09 7381.35 5580.71 7619.53 2435.33 6682.47 7941.64 9053.58 904.36 7333.19 7173.75 5510.5 7889.43 1645.67 4617.08 1464 6719.39 8436.7 6049.86 8293.15 7169.16 9795.87 7475.32 3311.29 627.32 3400.72 4197.75 9181.87 7924.91 6134.17 6833.87 7415.26 7170.64 8475.01 1470.35 10292.08 10278.52 8615.7 11818.58 9570.94 4215.85 8413.19 7126.42 10266.5 7649.17 7254.42 8786.22 8574.44 6727.6 7872.02 7150.28 6948.62 5947.56 6331.05 7045.26 7966.32 5693.78 7137.23 5643.44 8169.54 2525.67 8842.24 7987.87 5927.44 5824.66 9153.48 8741.55 7809.87 8932 6171.97 5995.99 5375.62 5990.57 6168.21 6278.77 5989.81 6170.11 5964.98 Eupolauridine 4969.64 4621.16 1124.92 2833.61 2336.82 3892.02 3808.24 4155.23 3620.63 4092.45 3744.55 3155.06 4491.89 5439.93 4297.66 3261.44 3668.44 4361.95 5153.17 2263.79 2769.91 3076.77 2777.74 4016.77 5118.97 5041.61 4351.85 4827.1 3886.24 1154.8 4624.43 5502.08 2149.14 4532.26 4601.88 5125.39 3826.23 4859.2 3923.29 4483.32 4408.02 6771.57 4736.8 4301.36 5221.31 4652.56 4618.56 3161.02 4728.89 3198.67 5726.28 3772.46 3818.69 4260.47 3128.59 3945.55 2163.49 2178.77 3140.7 2879.51 3673.59 3474.33 3795.93 3131.16 2939.86 5286.89 3890.86 4298.93 3679.06 3952.06 4358.2 4313.24 4046.94 3357.34 4549.1 3772.82 3667.15 3955.49 3879.57 3957.6 3915.14 3956.77 4185.39 3877.03 3-Methyl-1,3-benzothiazol-3-ium 1556.43 1803.74 1394.41 1601.97 1484.92 3219.68 1180.08 1397.29 1636.79 533.1 1357.9 981.96 3577.95 572.2 3731.34 1078.34 1444.41 1075.97 859.22 2266.19 1402.25 2233.12 988.86 861.1 1061 1119.27 794.57 666.67 2171.53 959.59 1444.63 516.77 2406.9 542.36 1682.75 1563.59 1303.56 1527.18 626.08 1067.31 992.62 1646.18 1253.59 925.64 730.89 1961.01 928.4 1991.79 1300.6 2427.8 1479.52 1830.59 1116.57 3249.56 1214.1 1119.36 1073.11 884.43 1475.13 1246.8 1017.6 873.29 2020.44 582.96 1397.94 2351.95 677.7 2453.22 1101.84 2426.19 2550.48 1067.64 1514.18 1048.13 809.68 1229.38 1298.16 1253.17 1259.07 1323.14 1266.79 1323.15 1275.5 1327.25 [1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine 8673.46 12705.3 9679.84 13167.68 11670.5 13516.91 17596.35 12683.49 6750.66 14190.78 10714.66 15977.4 17380.95 15350.07 13989.93 11429.1 11678.18 10346.66 19100.98 5727.33 3720.6 13560.31 12824.29 16007.65 11127.15 6028.79 15718.82 11290.36 15810.46 1914.55 5659.63 13027.56 13779.6 14075.61 14133.58 14382.23 9326.67 10104.58 14374.08 14479.06 4265.26 10942.94 15902.72 13335.2 10417.86 11677.52 11031.88 19327.81 13427.05 13623.13 7764.45 13227.65 13693.56 14705.99 9344.5 12901.98 7630.29 9083.53 9778.05 8577.26 17150.36 18023.72 8407.67 10579.47 9824.13 14270.69 7250.98 14599.93 11245.57 8689.31 8637.35 14496.76 8532.92 15634.34 13783.14 12412.13 12513.01 12614.11 12554.69 12405.47 12552.09 12335.8 12406.92 12550.72 1-(2,4-Dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea 8711.51 10395.96 10404.95 5489.63 8976.36 6234.35 2380.4 2875.95 6973.69 9319.56 2341.59 1926.69 3423.96 3387.5 9599.78 6887.67 6514.48 6801.97 8061.21 6230.57 1143.49 850.68 5585.07 7720.78 9163.31 7624.13 7985.63 7802.53 4142.22 8343.63 7373.99 6856.53 934.68 8665.39 6327.38 10795.43 8785.55 5933.65 8433.05 9408.77 7991.87 6484.29 8764.39 7185.69 8501.25 6185.5 5072.45 5645.81 5380.24 6514.89 5972.39 6434.05 7828.52 5800.8 6825.06 7379.76 8022.1 6555.01 7356.09 5524.13 5883.71 7804.22 4487.01 8987.02 8943.3 7022.59 8233.49 6334.63 10264.84 8803.72 7078.15 7610.91 5972.38 7077.8 7435.78 7536.95 7973.85 7575.67 7712.99 7605.51 7713.09 7703.77 7534.73 7628.75 Ethanol, 2-(dodecylthio)- 29670.44 30151.62 27812.38 31751.13 31716.38 28146.77 47194.18 53959.45 27424.12 27609.72 49354.7 21860.8 21975.38 30210.6 24259.58 25274.64 24734.31 26981.9 27031.43 25736.45 35697.32 20947.33 24538.46 27010.15 26065.52 26355.92 30975.42 26010.64 25500.99 24994.96 25686.15 27530.78 20894.04 29407.79 26831.7 26533.28 27306.09 30091.16 30742.41 26793.46 26854.53 25313.77 25903.51 25553.12 25892.79 30644.2 24728.8 25844.5 26256.51 25630 26352.69 26543.4 26965.72 28271.75 37481.35 25462.81 26625.26 28442.67 24798.8 27939.77 25860.83 27779.94 27391.17 27577.59 28609.42 26001.48 26358.13 28995.67 26816.8 26154.53 25820.81 26423.58 29581.55 24041.69 25200.33 27233.95 27555.1 27169.37 27236.82 26965.91 27019.91 26965.84 27212.27 26748.85 Amixetrine 3373.18 3381.73 4369.01 1758.25 4794.03 1252.93 2798.61 2933.35 5967.05 5064.25 1132.22 476.23 2443.48 4058.69 4076.98 3585.23 965.45 1418.11 4329.71 3432.69 3030.11 1836.84 2703.81 2243.34 6113.22 5866.7 3800.61 4421.66 4786.24 2922.73 3370.98 4837.4 1716.63 5125.53 3330.3 6111.03 4426.99 853.82 4264.07 3150.22 2931.64 3038.37 3879.49 3872.88 3265.06 1783.8 4897.19 3280.54 1289.22 3543.1 1125.8 2602.86 3912.36 2761.18 2598.12 4345.9 3341.95 3676.35 2634.26 1172.6 2671.75 1977.71 4715.08 3326.07 3302.43 4466.65 1993.43 5726.58 3451.63 5379.23 4226.47 2706.54 760.96 1864.2 3760.01 3579.59 3917.6 3681.43 3758.21 3816.36 3720.65 3793.13 3793.45 3715.93 5-(beta-D-galactopyranosyloxy)-L-lysine 7860.21 909.74 2097.16 2137.55 4396.13 1522.32 3524.54 5481.38 3828.16 1035.47 4669.09 4535.37 3290.64 3391.7 6625.82 1717.78 4201.43 3234.3 8986.67 5922.74 6164.34 2845 2634.02 4635.28 2968.55 6070.36 2709.53 3791.25 3679.19 4859.4 3960.53 3224.9 1813.41 4982.36 5831.24 2250.48 2493.27 1257.9 911.5 975.37 6918.55 11196.76 1522.29 1658.15 6669.89 4641.83 2646.33 3082.92 8033.93 6427.15 2497 2942.04 3672.04 6624.41 1879.42 1047.57 1894.14 1637.48 3259.93 1995.33 1188.69 834.37 3375.46 1970.31 2609.78 4591.7 4439.22 1897.3 2846.79 5752.47 945.25 3658.17 2707.17 674.95 3143.59 2152.11 3011.8 2528.69 2958.06 3356.92 2897.9 2941.09 2936.84 2532.51 2-Hydroxyphenylthiourea 15576.51 9668.74 8028.8 5749.78 5607.38 9378.46 1076.76 1589.21 4099.26 4502.69 985.35 3006.55 3547.15 4689.76 1882.64 3470.61 2781.39 3681.3 3943.47 3119.62 2054.66 3109.86 3960.94 8592.02 8678.2 6743.04 6701.86 11354.74 8415.58 4524.61 5429.13 6367.94 2605.61 4216.53 7209.25 9536.23 6099.76 6011.41 4027.58 4815.84 5306.48 2713.01 4143.09 3043.2 2883.72 1264.68 5355.78 5412.43 3902.34 1732.53 3626.36 3548.87 4041.04 1347.32 1245.35 3002.78 1858.16 4188.81 852.85 1190.57 3094.47 1263.94 1703.6 3359.05 3335.58 3372.47 5076.43 3336.5 3927.08 2004.15 1632.74 3453.81 3376.66 1328.48 1443.81 2794.04 2721.22 3023.84 2536.2 3048.65 3035.43 2769.73 3002.35 3663.31 N-[(4-nitrophenyl)carbonyl]phenylalanine 1336.39 1806.92 2905.58 655.73 1180.36 2274.87 529.45 1744.6 2007.91 538.73 2444.71 1190.04 1015.82 1330.44 631.16 1528.94 3469.92 1669.72 3272.9 1313.48 960.56 1334.8 1203 1548.95 2346.09 1211.66 2227.02 1407.77 1430.84 1069.34 1171.36 456.04 1222.67 634.58 1353.42 1546.16 2172.67 1499.73 1115.52 2087.66 863 2620.41 613.17 889.14 2069.7 1181.77 1449.35 475.11 1371.44 1402.6 1247.08 2777.39 1791.31 3640.53 977.2 827.64 3602.74 1185.02 1551.18 1238.61 451.46 1019.08 892.12 740.01 1930.39 2668.78 2339.88 1886.32 2519.06 1437.06 1050.98 2589.11 1366.02 674.81 1092.68 1707.97 1728.89 1703.24 1719.28 1618.09 1662.2 1601.26 1843.45 1600.95 alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- 9070.83 17287.07 2707.73 3506.66 4935 14174.86 1900.05 15123.1 4703.64 4691.45 5248.79 8522.49 1939.83 9143.85 12845.05 8829.65 2471.53 16650.14 5287.44 17590.04 18063.53 4778.47 1721.74 3460.78 4344.54 16757.36 3681.76 819.2 12373.92 3744.41 20669.59 13571.4 7696.78 4606.85 1576.6 7606.16 11207.04 7432.46 2253.33 8369.85 14222.24 13858.91 2383.59 3648.06 9874.94 2224.31 5702.98 12617.79 7752.41 3545.04 9030.73 12311.65 1849.65 3611.74 3633.65 10767.18 5116.59 3475.66 17594.99 426.99 2194.69 1850.25 3519.28 1594.91 1777.02 13061.8 12157.95 2133.66 8693.22 17112.67 13073.96 7144.43 8341.62 4858.65 1867.44 7933.68 7071.79 7596.4 7219.94 7047.88 7971.65 7612.82 7385.4 5982.01 5-Nitro-2-(2-pyridinyl)-1H-benzimidazole 2227.14 2863.82 1804.19 2136.53 1405.23 1618.45 1149.82 3129.08 2558.92 2049.68 1919.34 1951.74 2484.01 1937.63 2446.83 2080.38 1263.9 1054.01 850.78 1126.11 1498.64 2339.91 2575.14 1828.76 553.7 1582.67 1742.51 1709.66 1575.94 2108.02 2100.2 1072.64 2075.37 1437.51 1160.02 1948.11 2161.08 1888.27 2086.73 2581.38 1499.46 2442.62 2656.79 3612.48 1998.49 1670.33 1621.1 1133.97 975.17 1437.23 1365.24 2508.91 2513.43 2278.96 1376.92 2184.75 3004.32 4008.28 1650.6 2338.46 2332.26 2404.24 2197.41 2048.26 8880.93 1760.81 1600.73 1638.91 3264.08 1601.45 2145.48 2444.73 2037.28 561.66 1367.93 2223.95 2295.55 2326.92 2327.81 2278.77 2306.23 2322.89 2264.81 2327.09 Peonidin 3-arabinoside 814.81 4989.47 3666.33 5671.49 1015 2158.12 5982.81 915.23 2126.58 5375.32 3777.16 4329.68 7352.95 6701.11 3985.3 3571.37 2671.93 536.36 5711.89 752.55 1711.63 4963.28 5686.19 7582.24 1685.62 2169.56 7405.77 4815.6 4445.8 757.58 1379.45 2375.94 3536.07 4758.79 5098.94 3900.22 2541.54 2582.73 5963.13 5181.23 1716.7 1150.26 6207.31 3732.19 2074 5252.85 695.55 7635.72 3630.84 3331.9 1323.3 4819.39 6238.6 5168.63 1993.74 1722.66 1166.83 2960.47 1748.8 2214.1 7170.26 8561.98 2415.74 3903.3 3334.85 4309.71 1851.68 5451.46 4663.14 2173.26 1355.57 5479.99 2362.09 7932.24 4527.68 3638.46 3701.23 3501.69 3611.41 3603.66 3684.05 3701.34 3706.1 3711.4 2',3'-Dideoxy-3'-fluorouridine 3660.14 5079.38 5239.82 5515.94 8209.07 8134.06 4765.13 7205.17 1674.83 6905.15 3783.63 7410.31 8166.51 6343.25 8625.95 6538.43 5774.5 5419.79 9237.04 2132.76 2983.36 5469.82 5071.7 5664.28 7267.63 7217.01 6694.16 4249.96 8534.45 2638.63 3230.89 7836.07 6073.49 6613.69 5860.48 5358.76 5693.35 5510.46 2260.1 6614.1 1072.22 7089.5 6015.57 4721.88 3727.07 3403.63 5589.76 8926.45 4464.34 6599.28 2637.02 5204.83 6256.97 5667.77 5641.3 8378.56 5904.03 5893.29 5373.13 6797.24 6671.13 6983.79 4088.52 5831.38 4507.59 6279.13 1986.78 8548.16 7457.5 4836.07 3537.96 5696.28 4919.28 6446.66 5038.61 6827.93 6854.19 6826.68 6399.93 7034.36 6590.87 6845.66 6627.83 6217.25 4'-Nitro-3-(trifluoromethyl)-1,1'-biphenyl 5415.16 4787 7251.62 5753.93 4945.1 7275.36 6076.94 3556.71 2645.33 7356.07 6925.93 5661.32 3916.76 6091.52 1401.68 6504.34 5711.19 4209.21 8557.75 5280.73 5273.27 747.24 5777.8 6055.39 3982.48 1082.39 6810.95 6589.64 2143.25 6767.22 5241.97 9586.24 1275.64 7814.89 8224.61 5187.18 3197.72 4485.08 5492.59 6604.15 5455 4268.17 7327.75 5872.31 4385.63 6496.49 1657.19 7906.56 5992.38 10185.34 6297.03 4979.18 5639.07 5642.09 3855.04 6350.7 5759.47 5694.13 5797.75 3097.86 5562.09 4706.14 2178.79 5813.78 6875.91 5094.62 8150.5 5374.28 7026.74 1264.83 1471.56 5704.84 5083.75 9492.85 5566.35 5478.29 5824.29 5462.07 5305.51 5372.88 5291.91 5282.51 5128.51 5486.46 Spectinomycin dihydrochloride 2874.83 3445.17 1523.44 2915.73 1441.61 2132.51 991.03 1823.38 2320.79 4220.63 3290.44 3246.52 1751.41 4659.73 2380.24 2805.15 6673.08 2518.74 972.49 2513 2569.06 2408.66 4123.16 3133.16 2744.71 2493.33 2197.34 3107.87 1987.98 3088.19 1790.6 2207.35 2818.67 3775.56 3559.33 1268.8 1226.17 1904.58 6230.77 6506.89 1925 2345.53 4335.08 4721.85 1098.02 2193.53 1680.75 3556.47 1906.41 827.46 1237.4 1451.81 4090.96 2931.92 2835.93 1352.92 4252.17 5558.44 3805.64 2680.96 5217.28 4532.29 5330.69 4322.84 4592.48 1175.7 2688.62 2829.2 3247.09 983.39 1753.31 2780.83 4357.28 2253.76 2842.78 1501.46 1497.72 1620.39 1522.17 1687.4 1590.91 1610.53 1610.79 1530.4 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenoxy-2-(trifluoromethyl)- 1498.26 2380.19 5184.11 877.96 3929.42 1852.27 2844.48 1781.7 706.82 2013.47 1527.82 1765.52 1534.41 2565.84 1588.01 665.11 1606.38 1855.45 1753.1 604.57 866.34 2144.77 1300.29 591.84 1647.03 1668.17 7079.97 3689.3 688.44 2091.57 1216.66 1350.87 1148.13 6582.72 1298.67 1501.58 1203.42 591.85 1580.77 1686.17 1202.91 1130.19 4655.07 4005.48 1030.07 1160.63 1042.46 1752.82 2193.1 2018.15 1359.83 1432.86 4752.89 4111.81 1524.44 2249.43 531.03 1516.65 849.3 3532.73 701.44 4481 822.64 815.71 4496.6 822.23 1200.79 2738.46 1533.93 609.64 1360.48 724.6 713.09 2687.38 1459.73 1506.7 1411.3 1495.05 1413.32 1415.62 1560.34 1495.05 1476.9 738.55 [Asu 1,6] Oxytocin 809.27 660 1125.24 735.97 844.24 853.91 956.82 525.2 820.03 1187.39 766.51 667.76 1138.6 925.62 894.89 822.8 525.89 585.51 1037.65 1702.08 2333.87 900.82 699.53 1086.17 555.6 899.88 507.3 626.6 776.65 644.34 724.57 1058.84 528.07 1367.7 1081.2 1530.83 896.23 898.42 1247.82 405.78 2040.41 1919.53 1624.29 1257.44 1019.52 1832.57 1074.83 809.66 965.71 535.21 600.74 663.79 1101.41 517.25 1024.21 1325.17 836.44 1328.98 1577.47 519.67 681.6 599.68 378.65 829.18 2128.71 749.69 797.88 663.1 464.53 1350.74 892.26 1283.51 984.16 904.18 3465.79 1134.46 1247.96 1251.87 956.46 1162.08 1228.27 1231.04 1172 1135.9 Tridihexethyl 4199.16 5476.54 1775.2 7553.45 6374.61 7022.98 6003.12 4988.48 7130.26 6187.36 6913.07 8684.28 5013.14 4595.2 2903.84 6147.71 3169.59 4304.5 4104.07 3930.63 4958.47 3231.94 4963.61 8023.58 1273.02 4011.17 8371.56 8619.05 5511.99 5258.38 3416.76 3811.43 931.17 7488.82 7687.41 4889.84 5869.59 8127.34 7745.57 6525.9 6671.77 6207.63 6702.19 5943.37 6700.2 6915.27 9736.09 5437.87 2998.53 6975.4 4865.33 3872.05 7112.69 7519.23 3619.5 3404.71 5109.23 5548.28 3630.1 7652.88 3798.45 5870.12 4261.99 4853.76 5401.29 5817.91 8128.74 6879.74 9074.2 7261.9 5061.23 6632.7 7071.03 4538.41 6904.72 7646.06 7350.04 7342.57 7079.83 6416.89 7594.36 7625.64 7430.98 8004.89 1,2-O-Isopropylidene-D-glucofuranose 7938.75 5059.35 1604.61 2118.2 2973.18 949.25 4206.52 4199.37 3351.41 4129.9 5709.51 3375.1 1247.9 9633.09 6139.25 3042.44 3984.04 4555.07 1722.89 6742.4 8464.24 1632.1 5019.34 2330.5 3207.84 4921.03 1077.09 4353.14 915.09 4445.45 9476.78 1357.86 6136.13 2969.13 2785.98 4597.7 5589.4 6126.23 5083.01 6447.55 5204.59 1103.41 6116.72 6611.78 5388.23 3263.33 5473.62 4677.97 6087.84 5586.79 9900.62 4574.99 4394.42 2579.06 10705.14 6226.81 1458.2 4196.69 4615.34 3410.2 5993.59 8332.41 7227.58 4602.13 3181.41 4953.61 13655.49 3248.62 8350.76 1217.82 15693.51 7080.8 7686.11 5560.58 5787.42 3210.92 3007.73 3375.23 3501.8 3582.91 3642.08 2843.49 2774.37 3345.59 4-(2-Aminoethoxy)benzonitrile 2173.68 3451.26 2732.84 2659.66 1144.27 3612.02 5640.8 3487.7 781.88 4999 3748.28 4274.87 6786.75 4021.56 2509.84 2900.75 3123.11 3105.59 4574.84 2083.49 1878.37 4028.57 3498.32 3783.86 2255.18 2325.44 2189.83 2540.52 5489.51 1462.84 1641.94 5272.46 3760.43 5107.49 3443.87 4613.22 2169.18 2505.77 3067.27 2405.6 1069.17 2805.06 3496.26 3196.06 3174.69 2976.86 1214.53 8224.32 4292.16 3897.61 1900.37 4748.76 3459.25 3529.03 2379.86 5070.06 1860.59 2435.55 3395.43 1842.53 5529.74 4106.65 2123.39 2377.32 1951.5 4209.38 837.6 2485.62 2454.36 1208.68 2793.06 4341.21 1654.52 5689.13 3085 3977.19 3608.8 3453.62 3559.45 3578.85 3757.52 3683.08 3699.02 3705.31 Flutolanil 9480.81 16799.64 5914.14 6710.38 7842.15 3090.83 9189.95 9910.39 4681.16 14425.74 6802.22 8564.13 10444.71 10977.93 13160.95 8301.82 6828.22 10001.07 14279.48 1519.27 1637.2 7825.55 7138.24 10372.54 12931.45 8036.14 15963.32 12476.14 13634.12 5547.51 3982.46 9479.98 10540.03 6204.03 7037.42 14182.05 8632.47 8535.44 8634.64 12715.69 2647.08 10214.32 8349.25 8283.97 7222.25 8520.2 8445.15 18858.76 9878.08 9745.83 6458.39 10756.22 8721.57 7426.9 6958.99 13699.06 7466.55 8784.59 10450.96 6662.52 6639.93 8605.45 8667.29 5636.48 11327.62 11733.82 7074.02 14659.69 15408.39 10431.57 9157.57 13234.82 9074.45 9593.4 8705.66 9194 8924.48 9123.79 9143.45 8930.9 9139.43 9053.68 9190.12 9103.54 Etrogol 6565.91 5544.77 5459.17 5704.61 6690.48 3135.94 3561.95 4482.31 4020.33 5769.39 673.46 2191.89 3694.89 5536.7 2853.84 5548.87 4386.57 4737.41 5646.31 3837.61 3690.73 2323.6 3410.09 3136.19 6636.04 7075.23 8230.51 5772.09 6135.27 5337.3 5213.53 6540.75 3360.83 5590.06 5589.41 5903.35 6233.02 2784.78 5665.57 6204.49 4987.69 4619.87 2660.65 5252.28 5754.53 2235.86 5686.04 4375.09 3638.54 4792.73 4078.43 5041.03 2776.46 3590.61 1171.7 3879.04 4047.35 3152.7 5354.67 3283.71 4604.26 6012.3 5143.99 6134.74 5747.42 6327.52 4917.49 6267.72 3738.79 7727.59 5676.28 4628.95 2681.34 3495.93 5300.42 5108.82 5302.33 4978.89 5255.3 5325.02 5317.76 3772.92 5325.61 5363.66 1-((2-Nitrophenyl)sulfonyl)piperazine 2677.47 699.08 1407.1 887.61 1478.84 710.53 826.08 2167.55 3081.88 568.42 1046.06 1870.79 2244.22 829.25 1474.28 682.7 1376.69 2152.45 2129.76 2831.15 2280.65 1680.06 1225.59 939.12 1931.44 1585.18 1803.92 698.9 669.59 1539.77 3073.99 741.24 1573.63 675.01 631.74 2047.39 2599.94 2162.71 1278.11 1584.74 886.17 4628.69 595.79 993.13 3314.2 977.25 2926.68 763.87 1263.34 1874.43 2886.61 2613.85 1172.89 1530.09 2511.53 6557.88 1305.13 2013.24 2617.66 518.08 1169.23 680.56 1550.62 1004.98 1454.78 3381.13 4534.46 1784.97 952.5 3959.05 2593.8 2339.47 702.8 573.46 732.46 1579.49 1491.35 1549.53 1109.88 1567.54 1602.72 1623.94 1447.09 1447.63 Staphyloxanthin 2281 2716.37 11180.58 652.93 688.72 656.33 5425.03 4635.3 2500.97 2887.7 8181.6 2532.97 1264.66 2829.87 2123.96 7750.43 7391.01 2885.43 439.08 2539.1 2880.11 791.88 717.86 2097.74 7456.32 1574.16 2322.91 1070.99 1333.5 1678.67 3145.87 3040.41 1535.47 7348.13 2676.11 8157.03 4676.36 4570.73 9794.75 4949.15 2230.1 2174.57 5280.65 5162.69 827.22 4484.84 4314.19 3167.74 3569.64 4968.83 5466.27 942.42 2796.78 5432.99 4087.82 2140.17 21572.41 2720.03 7568.41 6353.59 4778.07 10744.42 3569.12 5797.12 3499.81 7210 1570.54 8267.42 1709.57 7216.81 6565.08 11455.39 1602.76 2550.15 2257 3688.59 3406.62 3177.68 2783.49 3747.24 3489.96 3409.82 4013.52 3727.87 Pinguisone 2924.64 5949.23 2010.51 828.09 5518.62 6520.11 1028.23 969.04 2567.65 3079.02 8030.54 4074.24 4278.49 1283.25 3419.76 3101.06 2289.19 4384.57 1720.35 8030.3 4852.39 7634.54 804.1 1974.61 2212.45 6333.43 3039.53 3925.79 4487.48 3476.59 3898.34 3305.92 3513.92 3573.67 3560.58 3665.45 6496.14 5335.26 4017.57 1402.89 6231.74 2728.83 4875.22 1846.08 4045.55 13228 2110.25 2141.78 1560.68 4990.19 2188.21 5235.68 4083.82 2671.87 5668.52 3632.16 3426.77 1680.03 3995.98 3059.45 1967.8 2149.35 3680.77 3615.69 2763.83 2648.51 3760.12 3267.61 2124.09 5323.31 3036.44 4954.72 3898.71 3116.62 3300.03 4113.34 4127.16 4074.1 4341.76 4153.95 4244.45 4489.83 4408.59 4088.72 Sampangine 3456 3715.25 5730.96 3686.34 3301.45 1620.5 4936.6 1751.83 3821.76 1521.76 4876.14 4065.8 2253.01 6225.41 6377.43 6429.19 2507.72 5293.07 6217.8 1833.85 2853.76 1000.03 3526.23 6891.42 6695.3 2204.14 6576 5110.42 2538.64 730.79 2930.88 3136.61 3672.57 4212.06 2915.9 5094.31 5447.76 5466.78 5531.94 6597.02 3491.1 5384.36 5505.07 6070.85 3159.55 2709.92 4027.96 4103.64 3212.41 4201.24 3029.72 3928.05 3789.31 5206.45 4193.43 6480.02 5044.15 4067.56 3442.27 4069.61 5383.77 3229.5 5718.24 3661.93 6187.2 3346.1 4473.08 5531.12 5748.68 4339.49 4117.47 5250.34 5874.99 6769.23 3753.77 3529.31 3465.6 3485.46 3753.46 3570.6 3672 3783.45 2728.53 3195.11 Fevicordin B 2-gentiobioside 818.94 439.3 642 843.57 649.12 727.17 2070.29 689.99 746.01 1422.91 831.97 610.16 635.58 1249.42 843.49 365.13 592.86 451.97 788.73 609.34 578.75 818.68 779.59 801.29 1030.72 781.21 1108.54 1101.63 656.25 986.79 687.15 1620.59 364.68 761.46 754.18 769.41 779.05 910.57 420.99 1714.68 319.05 808 1846.98 458.2 585.71 721.67 699.11 490.94 679.37 959.98 360.84 444.52 706.05 916.23 996.99 570.18 661.07 917.57 398.88 754.2 648.9 552.5 690.82 650.67 565.38 701.45 468.44 1244.58 897.51 453.56 335.32 764.67 1360.77 360.26 617.98 875.97 1133.96 1067.25 1186.04 1155.99 1124.33 1354.29 1033.88 1180.02 N-Desmethyl ulipristal acetate 8657.17 9775.14 2007.96 6314 9466.85 24316.72 3837.21 12171.8 8319.84 25121.72 6050.69 23922.22 3506.34 5142.04 15647.62 11917.78 6668 15065.87 37662.44 36485.97 16105.42 24516.55 2289.72 7712.47 20631.45 35341.05 1773.02 3519.63 44838.1 14762.45 15591.63 26950.34 7734.04 6066.02 2813.41 2278.66 16971.76 11217.58 935.29 4281 9398.84 1390.05 15014.53 2312.67 21539.68 4232.38 28540.62 22603.96 32045.91 75198.23 10623.8 12628.34 16419.46 3313.46 6401.16 10482.17 2429.43 6323.25 31971.31 3774.69 5283.02 4591.58 6971.84 18318.99 11120.79 2923.85 20399.31 9066.04 11456.64 6430.05 4465.52 23155.39 17398.62 4170.5 2518.85 12034.36 11939.94 12638.27 11325.21 12107.55 12180.15 12249.22 7959.08 12114.56 Zaleplon 1993.53 2107.1 5513.91 2192.46 2210.76 2042.28 1248.9 2539.86 5629.53 2961.04 3380 6737.1 3090.39 3132.66 2508.42 5364.35 2127.75 5024.05 1007.4 4188.03 9116.38 2903.08 1912.71 2723.34 2366.4 1753.83 2568.08 1044.06 2042.82 5207.29 2303.79 4721.79 1122.41 1530.44 5825.47 2235.03 3338.11 2135.37 3554.44 668.47 2176.21 1597.17 3773.07 1899.47 7212.82 6412.45 1482.24 2584.66 2287.31 3191.3 4870.9 1519.09 5116.43 2313.92 2149.88 2397.03 991.16 2047.63 6207.88 2880.77 1891.28 1215.46 604.8 970.43 2600.1 670.09 692.33 3110.55 2729.05 3255.07 2275.47 2201.1 488.87 2262.32 1905.71 2688.49 2787.43 2230.5 2517.99 2439.84 2210.19 2483.36 2687.68 2662.89 Sulfanilamide 901.12 2558.35 722.36 1388.08 2336.24 1028.41 4007.67 2391.15 2087.34 3268.65 3495.59 2347.66 5314.71 1580.79 2478.81 382.88 489.71 3067.56 3693.04 1401.39 1294.07 730.54 1044.94 446.92 2071.23 1509.31 1277.62 938.82 1392.41 1386.07 1555.34 2202.66 911.91 1160.21 3199.75 3417.8 1582.98 1743.63 383.73 4478.55 764 693.37 3110.77 1237.77 607.65 3252.21 3298.82 4043.38 3019.57 2879.25 1996.58 1992.56 3228.04 3001.59 1063.54 642.06 421.94 1641.81 772.02 596.64 932.32 1596.13 1172.04 4479.56 2183.47 1155.31 999.92 1613.23 419.44 1510.57 2784.11 753.19 2050.03 4517.28 1731.35 1262.47 2715.59 986.9 5396.54 1436.73 948.86 967.07 4140.05 1439.14 2419.57 3707.56 742.72 2819.05 4573.99 1255.43 6451.86 1850.55 2343.37 5121.28 724.51 1867.94 929.85 1463.19 1156.92 3787.87 2031.14 2202.89 2059.72 2064.48 2244.65 1459.81 1954.45 2251.94 2047.46 T-2 Tetraol 10823.28 3234.49 4802.47 4668.49 10936.15 6444.41 22585.04 29371.48 33796.45 22015.97 28346.03 23582.2 13393.49 22204.36 29704.69 40558.13 25092.88 21232.37 29761.15 34556.64 28636.64 7410.48 10855.7 25060.93 5186.46 20444.83 23493.02 23463.8 2696.12 1377.5 33754.02 28384.85 20632.67 21275.4 25511.58 14415.25 22949.26 2403.99 21455.98 23398.7 8343.71 31055.51 29520.83 21401.49 19480.18 16010.04 23986.57 28680.23 11957.4 30040.46 10184.23 20517.21 27121.77 21673.71 6994.67 18105.38 8732.53 11509.88 26275.2 17134.58 17228.17 5861.22 12903.53 15186.02 22068.88 17331.07 37445.03 22423.11 27392.85 20724.29 25592.43 12920.03 31293.23 1078.39 23587.74 20931.88 21305.49 20919.29 22114.11 21300.77 21325.29 21309.78 20805.75 19365.87 6-Hydroxynicotinonitrile 12420.95 44099.81 17975.59 17978.99 28057.97 20344.52 29793.06 64951.05 31243.43 54605.65 20395.95 44210.61 81972.98 45577.76 63515.44 33698.6 34923.33 28045.47 25083.61 26322.78 1766.07 19807.9 61351.88 20277.34 25099.66 21903.13 57030.46 25042.03 31127.77 26733.3 24967.82 30812.84 57953.46 17329.84 18285.4 29446.52 23989.03 14467 22480.42 65825.53 55506.8 39664.08 46694.33 35238.62 49839.33 11559.87 81131.33 64434.5 38384.75 28119.33 36829.97 21185.74 45303.22 31375.15 33064.02 52941.6 41872.72 21797.01 27654.53 12105.34 33366.12 39323.91 43468.76 30098.49 38361.72 16775.42 24405.03 57302.36 61768.63 65281.41 26176.52 38230.06 35345.58 47980.01 22121.8 34365.72 31483.93 23391.25 31382.67 33799.95 30955.36 30921.19 33717.54 34569.91 N-(2-Furylmethyl)-1-phenyl-1-ethanamine 274.47 533.12 616.49 511.76 261.15 279.4 898.09 315.93 736.76 1359.62 566.98 702.45 915.99 1819.74 363.27 379.01 660.19 1307.23 779.4 649.47 294.15 17183.14 566.03 579.79 323.86 1012.77 1178.47 461.99 848.43 854.52 698.59 517.11 652.78 520.13 530.4 1517.16 872.47 816.36 502.05 877.04 3214.54 463.01 662.06 1386.89 304.83 906.49 382.24 624.7 390.2 1576.74 747.46 609.84 637.94 266.71 326.58 687.27 762.67 602.85 540.12 639.5 476.38 2978.65 647.25 743.44 582.38 352.46 736.51 815.37 1943.14 871.32 398.93 844.37 693.67 746.26 695.14 1377.46 1321.2 1349.17 1051.52 1336.78 1426.02 1377.49 1337.96 1378.76 Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate 1228.91 933.84 632.46 888.78 350.38 301.49 561.41 595.46 851.59 445.25 234.65 368.5 452.58 457.26 246.29 694.85 505.3 575.2 646.31 1523.29 380.9 573.42 584.25 558.97 444.28 466.87 565.09 407.05 438.93 545.04 659.79 660.24 754.26 729.13 808.96 353.98 596.47 854.27 696.66 253.89 735.83 730.03 786.65 569.09 378.08 797.03 1054.76 2144.24 839.95 342.05 614.49 367.6 437.09 310.22 501.33 564.48 434.83 1949.32 760.62 449.39 626.77 727.39 686.66 688.26 319.29 337.64 375.7 499.97 516.81 344.18 404.89 686.56 271.81 329.65 485.77 1016.12 1043.37 686.73 858.65 1136.46 833.83 892.9 895.92 994.12 6-Hydroxytropinone 5308.3 4781.55 3724.84 4642.75 5873.84 6601.13 6000.48 7431.92 5944.52 4293.77 5127.55 5802.69 4225.11 1055.72 5534.51 7478.3 4440.56 5634.61 7079.08 8151.32 6392.49 5616.8 4140.9 6215.79 5964.56 5944.73 5264.15 4506.82 6177.79 3091.03 5153.06 9052.02 4654.98 5211.01 5304.01 6454 4480.71 4602.98 4344.14 3917.17 5584.85 2791.98 4799.37 3510.17 5524.33 4235.43 5164.38 6483.67 4986.13 6577.07 3833.23 4157.52 4142.52 2011.9 3706.55 4481.04 3256.26 3996.54 5656.54 3022.88 3816.41 2424.65 4135.84 4211.63 4969.54 5036.28 6070.33 4748.94 1502.4 4041.44 5015.12 5422.36 2856.38 5128.3 4858.78 4292.86 4294.95 4171.84 4137.21 4299.15 4215.51 4301.69 4119.09 3062.01 Cyenopyrafen 4019.24 2219.62 9948.64 3154.27 27431.42 12917.53 3179.9 6858.85 2120.26 2538.9 8344.08 2596.34 1619.02 2473.08 1910.81 886.2 2599.96 2320.37 4003.23 1475.24 4186.42 3999.23 3833.45 3342.52 3161.68 1083.97 5195.15 2876.73 2493.13 4265.84 3114.31 4479.77 2712.13 1155.83 756.02 2691.08 1043.29 1504.03 2428.61 3886.79 5383.03 2039.72 2320.2 3900.71 10920.39 1580.74 2405.7 2371.75 1522.73 4364.47 4004.57 3358.73 601.21 3550.14 3225.21 1403.68 18806.23 423.78 1422.49 1287.78 628.1 1089.01 3942.54 849.52 1328.95 3735.75 2709.64 2513.72 1901.98 4250.16 4751.02 6778.36 2150.99 1109.41 2729.75 2592.14 3572.69 3183.94 3176.48 2951.66 3176.98 3397.65 3453.97 3171.05 Calabaxanthone 1731.27 1156.77 3881.16 6212.81 6941.49 8295.58 10391.08 7015.22 3966.51 4973.07 2990.98 2865.54 9350.36 2446.59 616.38 7609.92 5657.87 3573.03 1994.88 3225.94 501.74 2979.29 2693.79 1852.23 3031.54 1254.76 5212.55 1350.53 447.16 3339.74 2821.46 1477.39 3290.35 6518.04 5297.06 4235.85 6899.68 5449.93 1466.65 4958.5 4706.93 1816.79 3052.71 5387.05 1157.91 8262.25 6230.95 7491.92 1084.56 2016.31 2038.21 3171.92 4576.81 4929.91 2609.71 3243.1 4995.07 2705.76 3348.56 3686.1 6059.18 5720.89 3622.17 5993.3 3980.38 6224.34 2057.75 8362.94 5684.35 1102.15 6149.04 2415.08 5250.74 3849.12 7048.68 4584.87 4666.13 4630.05 4430.14 3239.76 4758.77 4754.35 5748.35 4465.83 Indanofan 4161.32 938.47 386.97 571.58 2461.43 1223.19 3041.16 2462.84 3977.55 2687.62 1616.93 1611.12 2211.33 3427.49 1873.96 1759.84 878.48 1632.51 2619.22 848.6 2805.02 380.35 2012.81 1811.38 1728.14 863.44 2274.72 514.34 1212.58 1382.72 5615.07 4585.58 1001.76 529.38 404.85 860.01 1523.35 1364.91 3563.34 1506.48 1149.14 1644.39 1744.36 811.79 2603.8 397.06 576.39 1762.22 1179.15 494.91 1961.86 3178.59 1564.93 1710.27 503.39 2109.18 1431.89 1103.82 1555.58 1199.4 901.26 2197.32 1526.84 616.04 1534.8 2299.98 931.95 1229.19 1993.43 1532.01 1708.75 2406.66 4987.03 1226.15 2038.94 2680.82 2687.05 2441.56 2981.35 2621.17 2310.54 2631.75 2239.95 2730.7 1-Hexanethiol 1095.82 2314.98 2104.24 1654.95 1720.73 3677.51 685.94 1673.32 1396.02 1940.66 1414.33 1665.02 3446.82 1243.89 932.41 921.39 1633.7 717.78 2298.25 920.3 1075.25 2126.37 2262.16 1572.69 1255.37 903.57 944.5 1691.39 1376.29 1907.45 1156.02 1817.66 986.62 1219.41 851.61 1049.48 907.94 1514.16 1443.32 1638.72 1278.78 604.23 1408.88 2214.54 608.25 1507.88 1181.55 1571.89 1541.68 1844.73 822.09 2924.1 1984.85 2277.95 1110.75 2921.03 2494.11 3036.08 1354.72 1511.67 1355.28 2336.81 2188.06 755.75 840.32 2447.32 2220.61 1791.59 1566.64 711.26 1080.23 753.45 820.57 2183.74 2150.3 1235.8 1282.66 1573.22 1283.47 1348.42 1381.57 1290 1353.37 1343.66 Geranylcitronellol 1203.55 1788.38 742.17 641.53 3444.3 1248.56 698.48 4125.99 4825.66 2316.76 399.88 2138.11 2884.35 521.57 9356.21 3039.58 490.26 4490.84 3331.27 6007.31 850.81 764.33 812.48 1520.58 3826.17 6151.75 2069.01 1344.89 3512.19 987.86 421.28 2491.23 4912.33 1363.76 1364.7 3131.33 2676.94 892.81 707.54 2129.33 513.07 1418.26 2969.19 789.46 1205.33 1981.52 2982.72 1726.06 1310.56 1816 2141.33 592.77 1975.11 2766.13 1955.07 2303.97 1112.34 2495.67 3367.28 2403.16 1312.02 581.36 2614.21 3653.91 4659.38 2898.75 743.68 629.97 938.13 4435.53 4557.85 851.38 1536.67 4594.59 1234.03 2734.17 2747.08 2749.31 2707.39 2688.02 2779.43 2565.45 2708.43 2747.1 Gly-Pro-Glu 34215.71 31365.92 10523.54 20397.44 38827.98 38232.69 29180.37 37102.91 38583.89 23893.03 17952.68 15970.17 16924.57 18457.94 28266.28 18931.81 23171.02 35804.98 30748.92 46381.27 30150.58 42078.59 16283.05 18822.19 28759.52 44704.06 15887.06 22605.09 34405.03 9142.79 34788.84 31264.97 28043.86 23423.59 22521.83 30825.27 37049.08 40353.86 13644.52 18976.59 31002.67 36558.62 22141.1 16645.42 32561 10207.18 33699.62 3096.73 21037.02 18576.62 25160.83 25717.44 17087.74 10647.22 13458.43 25400 14576.29 17717.13 31038.77 24908.2 10930.16 14738.83 21872.92 13310.3 20087.57 26219.22 43010.33 14962.76 18588.85 31864.61 31179.13 28665.74 8308.68 19734.02 17578.75 27744.39 26222.09 27430.97 27550.8 27312.01 28138.76 27260.37 27645.92 27279.45 Thiamine Disulfide(TDS) 1225.53 1389.1 361.5 753.28 921.04 1435.66 1009.94 1743.97 1029.16 1087.2 837.44 653.82 911.44 1467.85 441.11 2464.21 1466.4 2597.55 1135.65 706.17 580.85 1615.35 610.26 1330.71 1817.31 579.51 1046.73 692.56 976.58 446.34 947.2 3514.76 1072.07 895.67 741.82 981.48 964.67 952.43 379.5 1018.58 420.74 652.25 445.86 379.59 1023.97 1005.18 352.19 911.68 1064.11 675.05 547.37 1320.73 1064.07 1462.52 354.4 353.79 920.27 1343.87 869.18 1084.46 706.48 327.79 1124.89 1206.46 362.78 497.51 1057.34 821.98 825.26 1031.91 644.16 1127.95 1185.49 972.93 680.16 1441.23 1501.92 1769.27 1549.06 1566.14 1432.51 1408.65 1460.14 1516.56 Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)- 1259.21 705.49 1669.75 1576.31 1585.18 1489.23 3476.14 4325.76 2832.52 1705.75 564.19 2274.56 2530.75 654.51 684.78 2217.28 815.25 2901.57 1825.69 1571.29 927.07 1181.54 2455.2 927.06 1516.93 1270.15 1689.44 1493.59 1445.99 2241.31 1259.91 731.18 1207.49 3250.95 717.04 3448.24 535.14 1526.04 2197.52 1354.4 852.85 747.39 1980.79 2229.69 1334.97 2137.43 2678 2645.93 539.75 884.43 1891.46 1099.11 1380.24 1224.28 1036.68 1721.47 2065.84 1428.49 1953.38 1485.15 1070.84 2529.77 2928.74 1393.14 1224.51 692.46 1490.75 5062.32 2942.14 1725.31 1477.08 1764.03 1393.61 1975.54 1830.07 1673.37 1597.47 1647.74 1503.58 1641.04 1591.94 1384.28 1670.55 1544.2 Ursodeoxycholic acid 3-sulfate 914.25 3624.83 357.42 436.98 4187.45 28321.34 15679.91 4053.34 2270.82 2171.72 2126.53 1774.29 1159.98 3088.33 941.02 2545.79 1793.11 1393.42 2440.88 1499.71 1032.46 4942.87 812.43 3104.8 1766.27 2184.06 449.73 1919.82 2649.01 1383.31 975.48 64534.52 2397.04 2823.29 1748.24 1822.82 2947.58 3952.5 2456.57 1122.61 847.26 1359.4 1689.63 1614.88 2464.42 2203.54 5015.27 1907.06 606.73 3949.9 4310.99 2439.29 971.47 2532.87 1482.53 2046.29 1481.69 3504.98 987.13 556.99 1660.4 2343.56 1771.13 1496.9 1897.66 1208.84 1672.06 2862.21 2656.52 3608.36 700.2 1375.78 767.07 2650.71 2396.33 4850.23 4154.95 4847.67 4512.09 4635.47 4630.14 4863.2 4957.65 4087.31 5-(4-Tert-butylphenyl)-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-YL hydrosulfide 2135.69 2396.09 527.42 516.92 295.74 1134.08 314.23 2251.58 410.06 1160.56 1491.22 772.25 1893.03 587.66 627.42 519.01 1071.85 388.54 2232.57 391.14 1057.8 1374.6 764.61 369.74 683.15 473.17 3785.43 2643.1 3944.01 1279.38 296.61 1271.42 1037.95 422.47 509.62 392.44 1192.67 1701.62 1333.2 1898.29 379.07 1030.34 2136.76 2414.85 335.84 837.82 2089.99 2108.01 2206.11 589.83 1146.15 1252.13 2068.88 1856.01 1832.06 601.28 666.3 842.16 1788.96 989.46 2058.32 1677.6 424.47 1547.72 631.49 2022.18 795.63 1577.64 1805.59 1628.85 594.42 1147.87 559.35 1493.95 708.22 2752.51 2222.91 2038.92 1995.31 1964.72 2259.24 2036.1 2160.05 2182.41 Flumioxazin 2522.48 1892.74 3014.78 7785.21 12653.53 1487.64 4078.99 1570.54 622.98 2738.56 2256.4 5907.31 2276.9 4267.46 4004.31 5419.25 1912.69 1056.37 2868.93 2117.61 731.33 1365.01 4362.84 4480.07 1965.95 3256.08 3843.78 4067.79 3546.5 2855.53 2056.52 4970.93 5144.52 2910.29 3820.32 2574.52 2794.68 1817.48 5946.72 4318.05 650.21 2488.72 3595.26 3482.86 1416.49 3154.67 3493.49 6005.38 1977.46 2041.88 2413.27 3461.55 3414.57 4303.76 922.43 2731 1513.17 1200.25 2462.1 2816.77 4702.45 4638.78 2417.2 1532.69 1404.08 1839.73 2714.14 2567.1 3852.68 509.33 2862.9 1299.51 1410.27 3882.04 2752.6 2923.43 2844.62 2681.81 2750.39 2990.26 2922.52 2599.73 2853.73 2922.62 Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl- 2482 2437.42 2583.64 4060.52 787.35 1222.57 676.92 1374.03 1422.85 1167.89 1793.6 1048.07 741.45 1896.69 985.3 642.43 1394.71 669.11 827.78 942.96 1784.02 1615.53 633.16 3909.21 2883.51 2945.91 3458.8 4288.27 2062.46 1125.72 2078.56 3583.89 748.63 3291.09 2384.66 3823.59 481.31 2446.56 3760.99 1586.57 1428.16 1179.1 575.61 1596.86 1031.21 1164.77 1497.2 724.04 1186.61 841.25 589.89 1069.46 1083.37 1433.37 768.54 716.5 1773.26 3640.63 502.54 898.35 1149.89 2417.98 698.53 2582.86 1237.36 2011.8 977.82 1760.02 755.25 772.53 454.52 1392.43 849.97 867.97 1868.21 1524.52 1732.88 1419.94 1076.37 1475.88 1337.87 1355.66 1152.72 1421.67 11-Hydroxycanthin-6-one 3344.62 4496.59 4221.7 4865.49 4012.6 3415.06 4027.37 4097.93 3245.2 4050.84 3503.88 2767.36 4330.45 4377.5 3502.03 4728.7 3923.8 2484.99 5469.48 3812.71 3020.64 2233.39 3632.87 5364.02 4452.97 3985 5502.93 5228.28 5259.06 3302.9 4175.38 7864.41 2624.24 4858.73 4721.28 4234.18 3933.98 3573.77 5074.02 5124.13 5268.36 5010.96 4951.33 4745.34 4351.8 4343.16 4300.52 5001.38 4639.53 7108.69 3054.87 3838.74 4714.68 4669.14 2024.45 2157.67 3412.36 3615.14 3245.2 571.6 3680.32 4115.01 3424.84 4703.49 3557.28 3465.63 3716.3 4823.58 4618.11 3179.28 3593.33 4886.79 4416.85 4425.65 5295.91 3853.99 3920.73 3915.13 3909.2 3886.88 3632.38 3943.8 3857.05 3854.34 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)- 71140.07 68778.96 18899.13 20657.42 93600.87 59431.37 7346.75 142695.01 101165.31 58051.56 17678.41 18472.06 4174.48 23397.85 67549.68 23207.2 23152.57 36601.44 39115.32 83021.89 107885.57 42510.5 21530.35 28626.57 93088.84 118653.08 28973.71 27928.61 44330.76 17505.17 66676.62 42644.36 52640.63 29815.83 27933.25 46191.51 88707.63 79369.16 29149.03 24098.52 38986.25 118335.47 26755.57 19546.52 42471.26 27202.8 50990.02 36491.37 27898.72 34940.14 56514.48 63843.07 21797.47 11872.49 40114.6 84158.71 16464 16212.34 78741.82 27568.66 18841.04 19077.69 52422.26 22736.38 19723.01 68530.94 96333.53 9645.21 16364.23 86399.66 68418.2 41982.49 13786.4 17952.54 26986.44 45024.96 46436.68 46441.75 46501.53 47034.99 46414.44 47348.5 47035.64 46984.34 (2S,3R)-2-aminoheptadecane-1,3-diol 1650.47 4622.5 4064.05 1820.04 10128.07 14320.87 16634.47 1439.87 3451.61 2529.17 1772.46 2765.19 1945.73 2365.34 5794.31 1842.65 3752.86 3718.5 4345.13 4974.83 3375.34 4960.11 2142.83 3948.75 1736.08 1559.43 2303.24 2011.94 3253.36 5438.13 1794.69 4449.38 4306.35 3237.94 3408.7 2924.05 1657.4 2711.96 2092.5 7387.46 8639.24 2461.78 3851.75 1927.05 1242.34 6696.83 3240.22 12031.72 2908.69 3207.04 1519.32 1856.27 1309.61 3388.46 1623.05 5222.57 4993.44 4803.41 4061.02 7372.81 3571.61 5195.76 2689.89 5852.4 7157.6 3114.65 3448.12 2989.03 2252.49 3171.69 4134.08 2646.58 2370.2 4197.28 5424.86 5410.72 5521.88 5650.22 5419.84 5444.2 5398.35 5399.33 5332.02 5518.79 Methyl 4-amino-2,3-difluoro-5-nitrobenzoate 2839.6 5040.27 677.94 560.41 1783.01 3019.17 2452.11 3633.86 1229.91 6446.18 1765.88 3378.53 2763.61 2386.75 4690.1 3512.43 4160.56 4011.5 7109.36 372.41 935.38 5347.56 1300.33 748.47 3662.84 7289.13 6600.32 2442 4180.8 400.38 1528.07 5432.43 4441.61 1282.09 1802.11 6200.78 1800.97 4700.55 1473.06 2621.23 555.34 1995.3 2754.76 1168.05 3249.18 1527.55 3010.85 4236.27 1936.24 3758.06 1947.03 1554.75 1742.8 1283.51 1922.29 4587.5 1040.78 1387.55 4699.55 5292.09 2469.65 1937.65 2463.56 1219.11 2415.54 2358.25 2030.14 4820.04 2383.06 4022.4 4031.48 4169.67 874.95 3249.59 3007.31 4117.87 4093.14 4185.42 3450.02 4187.8 4191.44 4073 4090.51 4108.47 Digitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside] 25365.74 936.36 47422.08 545.64 28822.9 809.8 1082.57 45518.73 93127.96 53574.21 819.94 39240.96 27537.58 34521.2 1304.51 41763.12 82558.67 513.81 35725.81 657.54 740.6 53323.43 53285.91 430.44 19296.32 1424 62093.86 619.12 18780.27 46436.28 46306.7 1565.78 35824.97 104166.05 101273.42 48838.15 166604.5 126988.17 56122.25 102354.53 30684.59 86568.67 64321.23 99482.61 31521.3 99751.4 71220.41 68342.52 69373.01 88581.63 122920.09 124281.39 39704.77 67083.41 69249.62 131523.06 77113.06 124275.05 26408.45 47568.24 50570.88 104990.49 37835.16 107858.8 73559.97 95408.25 118070.28 82172.33 121991.82 87266.34 87214.35 70750.48 92211.51 150548.9 87341.54 166153.36 411677.38 133582.97 252145.79 196935.92 280509.67 340199.45 235155.11 85566.43 106691.51 244159.14 275825.58 220118.64 337592.87 228118.32 259057.63 127790.1 249848.39 171783.28 243405.02 137629.71 108526.24 199152.99 102458.43 100669.14 81812.15 81585.93 82682.04 81820.75 79079.22 81009.81 80989.85 81656.48 81658.48 Rubiadin 1-methyl ether 1989.98 2495.69 2643.15 2320.89 1607.2 513.19 5932 3548.36 1736.05 2986.69 4008.38 2243.8 384.98 5557.51 995.6 3667.05 1534.65 6955.31 3053.72 2783.86 408.82 2052.22 4400.16 654.37 1587.12 2167.53 2893.09 1916.36 4044.07 2796.23 359.1 2961.41 1860.04 2054.75 2687.75 2636.77 3617.12 2345.34 3862.43 4283.35 905.62 1215.51 5910.48 2261.51 3491.5 2223.72 1188.12 1299.94 1273.84 1213.55 1911.34 3702.39 2204.78 3970.64 2884.88 5170.97 4417.34 3719.67 1905.45 2021.96 946.88 3130.57 1701.57 2448.59 568.58 8380.31 1019.47 2443.72 2536.89 4365.26 3742.36 8563.65 3583.26 1445.78 2902.1 3533.17 2157.36 4099.99 3130.45 3739.15 3130.11 3112.87 3547.85 3491.74 N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine 2900.42 7466.68 5977.81 6467.19 12414.96 19443.35 3566.08 5604.56 5145.49 4025.82 5072.03 6912.12 2830.61 6525.4 9379.91 7436.83 5200.91 8553.08 7821.42 7330.31 10920.12 13970.6 6102.38 5295.34 9188.55 13178.2 6582.43 7554.5 12646.5 3759.02 7062.82 10245.71 8318.6 8585.95 2972.85 10945.93 26816.98 8804.42 18874.6 6255.31 9233.09 15108.69 7506.06 5901.06 11087.33 5218.19 4917.44 7007.38 6408.67 9955.27 10980.71 8700.85 7355.28 8152.66 7321.23 10364.38 5528.92 3943.39 9098.56 11826.12 5066.54 9511.65 9652.27 7710.77 4078.76 10489.47 11231.19 5891.31 5243.57 6881.9 8357.27 9177.58 6251.31 5230 6848.41 9673.67 9974.67 9454.56 9455.93 8902.27 9610.11 9659.05 9459.54 9482.06 Acetyldeoxynivalenol 384.66 820.87 1160.07 825.11 988.18 2225.95 1173.7 1651.51 2657.68 2714 2297.32 810.59 4060.72 867.24 1839.72 959.97 1798.07 1565.56 1935.29 1483.18 443.78 1154.68 993.45 1159.49 551.22 1657.86 1115.95 1169.35 588.36 1831.78 1365.26 5656.29 1237.2 3597.54 1557.27 1490.58 1585.78 5662.55 682.68 1161.58 2476.51 4945.64 3584.27 2708.31 2301.29 538.45 1915.35 1681.27 1668.61 4797.31 1053.01 3336.27 799.96 1695.37 1554.77 1659.42 683.65 2270.7 4666.73 399.09 699.27 4768.96 1334.66 780.63 1236.87 1615.29 1248.61 6346.14 1617.06 1540.45 3214.13 1856.7 563.55 3208.48 1466.79 1599.7 1846.08 2110.03 2231.53 2577.73 1789.31 2125.6 2001.6 1935.03 6-Methylchrysene 3776.9 9779.78 5794.88 3649.54 4162.15 4345.44 4160.72 3934.4 3810.22 3403.59 5250.28 2977.71 4128.48 4558.17 5385.42 4793.36 4772.24 3822.8 4168.08 3662.66 3980.55 3081.95 4357.16 4441.07 4331.01 4183.61 4073.34 5124.39 4248.82 4237.12 4548.9 6524.56 3989.31 4346.28 5272.76 4270.34 4628.35 4993.83 4797.25 4537.57 4667.06 2998.66 4514.04 3943.4 4355.43 3617.28 4863.99 4874.63 4120.65 4882.99 3081.64 4288.83 4186.5 4142.81 2247.19 4478.16 4392.54 4035.84 4174.45 3874.88 4954.55 3523.13 4681.03 3165.26 4774.26 9815.79 4251.94 5321.89 4472.52 5594.96 4720.91 4488.26 5769.85 3804.56 3853.24 4615.92 3968.27 4704.84 4589.12 4577.11 4611.8 4448.69 4609.52 4608.42 2,3,3-Triphenylacrylonitrile 18465.96 25083.02 6444.93 5370.07 19759.69 10182.06 15130.4 39163.65 26543.61 26935.57 3172.8 1712.51 11986.13 14904.03 23519.96 19665.74 2750.24 18358.92 6609.92 35738.68 32945.17 14102.14 15028.16 17341.77 20441.44 28358.29 20039.64 27010.21 22265.57 13702.49 15899.15 20610.74 5763.15 23054.57 22925.93 5230.17 34250.55 13896.96 20396.26 19167.86 21960.81 36454.97 7434.84 19997.33 21098.64 6472.85 8575.29 26547.36 17828.17 29550.22 10534.18 19467.57 22886.7 13399.31 19472.11 20978.8 17719.91 16252.77 28657.02 5167.62 8850.12 2914.55 13044.7 11666.53 19602.33 31842.35 38220.85 14478.62 7823.66 15609.13 27981.33 14251.38 4743.31 899.17 9185.86 5934.33 18184.3 19099.02 17822.59 18311.42 18197.65 19524.41 19115.46 19041.96 4,4'-Thiobis-2-butanone 834.43 1454.49 616.86 1600.84 1093.81 572.86 1121.49 832.78 953.77 407.92 828.3 946.36 1035.87 1081.38 1101.2 1081.09 1215.17 1029.19 1634.38 1131.59 1294.08 832.58 1616.79 665.21 1153.16 1196.97 1099.89 815.23 1335.39 1116.61 1016.13 1032.89 1151.08 798.45 1242.25 2835.88 603.17 937.47 655.19 881.6 806.5 873.55 1063.07 835.99 963.1 961.77 1315.43 1085.3 648.86 1189.11 838.33 873.04 1112.78 739.42 702.24 1099.74 813.1 862.87 809.61 435.5 1017 1172.53 1131.78 1059.02 1054.15 1053.77 755.95 1348.88 1633.88 1224.42 1564.15 1722.26 1072.92 1121.36 928.94 1552.6 1333.2 1393.82 1327.19 1323.05 1323.62 959.79 1400.45 1319.68 Vernoflexin 3071.64 5683.32 1047.06 637.42 6203.39 3657.74 1290.82 4725.97 4213.36 2838.29 953.67 1726.57 2413.32 1480.6 1669.39 3966.09 1831.03 1509.63 7488.01 970.05 3645.95 754.35 1178.97 768.15 1530.12 823.71 405.39 5002.03 1039.41 1581.93 1720.05 3626.62 779.83 734.31 1364.55 3139.57 4913.8 1185.03 2752.14 7873.53 4076.93 4728.77 2303.49 4825.72 2863.98 2620.28 3709.42 3097.61 530.69 1208.92 1378.85 2627.53 3395.98 3400.14 1752.29 5869.96 1781.78 3585.39 3194.15 5499.42 2030.35 1975.75 3435.99 6153.32 4643.66 4113.86 1999.53 4209.43 2310.02 2871.53 1012.11 1523.04 3809.53 3520.78 1665.38 3253.12 3372.69 3381.77 3407.17 3249.15 3509.34 3270.97 3244.78 3393.91 bisphenol A diglycidyl ether 4916.8 2825.32 4782.68 4639.67 5410.84 2020.89 4366.98 5012.92 3647.03 3574.27 807.74 2911.12 3089.27 3082.56 3570.88 4024.42 4401.87 3252.59 4636.72 2167.15 4302.12 1302 2265.79 4740.48 4997.56 3816.65 4884.69 5360.79 5575.5 3843.3 4205.59 4969.02 3062.06 4606.06 4456.9 3564.89 4991.3 3964.12 3258.94 4698.34 3983.63 4036.87 5153.24 4068.46 3284.05 1681.51 4104.64 4359.44 3114.76 2798.44 2611.38 4621.74 2074.19 3322.73 1700.01 5631.37 4531.68 4497.45 2726.14 3372.45 4289.17 5289.38 2224.29 4852.46 4259.14 5214.55 5122.58 4002.04 1900.46 2620.83 5256 2657.56 3472.67 3721.88 3742.99 3533.36 3542.59 3368.6 3340.69 3563.51 3840.62 2912.69 3356.95 3424.82 2-isonicotinoyl-N-methylhydrazinecarbothioamide 1682.57 2312.77 9235.21 3745.26 3109.37 2243.96 3258.58 678.51 2720.68 2231.58 4226.33 1002.49 2072.98 8227.88 5674.67 1997.65 7350.97 1228.08 1626.3 772.32 913.1 1840.65 7272.83 5641.69 2507.04 2602.12 2420.46 1371.25 2546.11 526.27 1094.76 1110.61 2105.4 3357.21 2707.19 1722.04 3435.06 2647.99 5407.58 3620.92 505.32 870.96 9658.07 10622.25 4526.17 920.51 1590.87 1858.68 2563.44 2009.1 4195.1 1565.53 2627.31 2553.07 1567.14 3051.6 4966.52 4353.49 2440.3 1904.51 4674.06 2010.1 4120.26 1991.35 1610.71 7114.84 2729.93 8678.13 11148.2 3306.62 977.89 10530.69 2002.04 5361.25 7928.78 3163.8 3207.19 2767.24 3583.87 3169.57 2985.8 3185.25 3132.02 2910.99 1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene 1369.88 1002.15 817.52 650.66 614.3 588.94 450.86 612.34 604.54 1184.21 558.28 832.71 480.46 1022.93 368.59 638.96 621.36 611.29 854.5 442.3 697.56 968.77 982.94 681.7 2892.25 599.95 495.64 1582.56 559.72 736.3 1050.03 524.54 572.79 857.81 423.13 558.21 1080.44 621.3 551.64 5778.38 729.92 955.95 638.9 1017.85 753.05 555.77 2580.56 783.2 606.07 1196.76 1449.3 799.33 990.85 755.03 522.46 1196.05 738.71 875.91 821.91 762.93 1686.74 747.93 1171.64 945.1 974.06 512.08 750.51 798.5 918.65 747.82 497.2 844.58 697.16 1446.36 611.55 969.07 1302.53 1083.68 1122.55 1118.46 976.18 969.98 968.37 1041.41 8-Hydroxyquercetagetin 758.97 533.95 725.17 550.98 595.4 1522.96 1057.55 656.11 1313.29 375.6 424.62 563.15 1055.3 360.14 638.44 411.26 499.45 496.39 498.39 782.43 529.38 1179.91 762.2 896.77 612.95 1115.24 421.1 1081.64 501.78 790.07 900.19 722.45 351.79 897.98 1236.88 709.89 1026.12 421.6 1009.02 834.63 668.11 538.77 515.02 796.5 2913.5 1094.09 1401.24 973.75 940.74 1324.95 850.87 447.51 446.52 896.96 1851 888.38 871.37 836.9 560.7 700.89 813.08 657.95 1467.1 1800.68 928.38 637.37 3650.03 858.45 546.48 1359 1035.24 1235.5 766.65 814.94 1175.28 1137.88 1176.36 1096.43 1330.83 1092.03 1197.14 1227.36 1035.79 1114.74 L-Lysinamide 1023.64 1746.2 2622.22 1615.98 1971.75 1828.64 2488.92 3393.19 2190.12 2018.32 1947.18 3081.31 1882.08 1349.71 1069.37 4015.96 1152.93 1060.2 3599.74 1915.03 842.32 1058.64 971.16 2361.01 1285.83 2090.27 2770.32 1819.37 2341.13 3468.19 1527.28 2077.88 1238.91 2427.07 2489.77 1554.63 2349.98 1172.17 2289.89 2019.35 2135.24 1570.46 2452.99 2288.48 1538.67 1799 3135.78 3694.71 2268.6 3567.38 834.46 1411.36 1894.02 2605.31 1612.93 2934.23 1963.52 1893.74 718.79 1071.8 1738.24 1603.32 1978.06 3348.7 1916.63 1820.05 1893.94 1963.56 1357.01 2144.56 1173.45 2754.48 1608.24 2690.05 2384.05 1913.3 1919.62 1883.19 2331.27 1949.62 1986.31 1799.25 1978.68 1993.06 Diospyrol 852.27 1238.31 4429.53 4276.68 1614.54 2863.62 1879.65 705.16 1779.53 1035.15 805.37 2286.57 1805.96 798.65 2021.98 1700.51 1048.87 859.63 1096.67 1355.51 1990.74 1007.23 902.73 3510.38 3227.5 1734.66 2301.65 3494.4 1132.86 1392.64 1219.53 2216.54 916.57 2813.7 1496.58 2153.25 2114.26 1317.8 3465.54 3262.48 1824.38 1079.17 1333.14 887.55 965.92 3921.97 1658.5 871.92 2319.84 963.46 2415.4 878.45 1424.2 4859.13 2653.1 1185.96 2115.34 3599.63 1043.83 1390.93 685.12 1798.09 1929.72 3642.77 1741.92 1332.63 2051.23 1009.15 1412.06 1111.06 1490.53 1582.5 2004.39 1691.1 2959.18 1406.21 1480.19 1398.28 1479.87 1457.84 1146.43 1483.35 1492.13 1463.47 Glyphosate-isopropylammonium 3552.36 1749.34 3309.72 622.37 1284.04 1555.28 2161.12 2051.29 4626.56 2823.06 2177.03 1272.71 1691.2 1892.76 737.66 2300.79 1815.05 2583.93 1171.95 1027.53 3156.84 1077.09 2697.02 2342.35 1722.51 2314.84 2628.96 2261.44 2616.15 1917.09 1317.85 3150.86 1637.8 3233.91 1689.22 2669.66 2239.03 1375.52 2748.81 2451.19 2189.38 652.97 2203.36 1711.38 2466.01 1338.64 3962.26 1331.07 1248.16 2375.33 1638.14 1484.08 1702.83 626.11 2067.84 2438.54 1639.03 2098.1 1856.19 688.27 666.37 1844.59 1650.18 2065.3 1576.48 1913.08 2624.36 2522.57 3976.42 2955.49 1908.57 2266.32 1325.75 873.66 547.61 2012.1 1899.65 1912.54 1518.97 1734.34 1837.3 1831.32 1656.55 1605.34 2-Octanamidoacetic acid 4137.18 3365.25 5111.87 4098.47 4532.01 3602.57 5160.65 1173.17 3516.73 6455.23 3010.67 3588.98 4763.96 3917.86 4691.89 3341.03 3653.59 4413.29 5182.99 3225.55 4976.52 2773.94 3224.92 6148.63 4026.83 3526.94 4668.31 4330.46 4038.17 3734.08 3435.14 4138.56 3634.97 3581.46 5220.37 4238.66 4079.25 3633.63 4352.45 4469.61 4116.54 4568.06 3787.33 4144.38 4196.32 3734.16 4508.35 4838.26 4845.07 4442.45 4709.76 4461.18 3005.77 3660.59 4098.52 4129.63 3097.46 5116.85 4178.12 5828.03 4007.44 4202.18 3859.53 4161.83 4996.72 3288.2 4395.63 7092.03 4355.66 3913.76 3691.65 3119.19 6666.88 4280.36 4052.81 4165.7 3334.02 4168.51 4113.15 4048.26 4185.65 4115.08 4296.78 4008.81 Dhurrin 2685.07 1600.25 1167.22 1999.24 1723.69 1385.48 637.45 1763.74 1333.74 2621.33 2383.04 856.45 912.01 3191.1 639.45 1091.06 570.95 1296.56 1655.97 851.65 536.2 572.83 599.77 2468.31 1254.18 1339.76 2404.85 2183.22 1465.67 642.67 1121.53 3713.3 808.56 2770.06 2810.87 581.93 1217.25 1100.86 2870.33 2191.03 1171.44 1449.06 1508.59 2120.55 1003.19 1294.45 919.74 1135.05 1171.37 901.04 543.42 1283.88 1927.56 959.3 1331.92 502.37 803.89 1191.04 1843.14 993.71 1493.43 1597.11 1263.6 1218.13 894.46 1771.63 586.21 1983.68 1180.35 562.76 532.95 2111.58 739.14 1707.15 1662.68 1262.66 1339.4 1296.78 1269.24 1344.94 1283.83 1321.02 1338.98 1347.19 Hydrogen carbonate 1394.99 3211.15 3500.55 3700.38 3444.52 3127.23 3660.1 3830.46 4081.31 3098.57 2997.41 2349.36 3491.11 3995.49 2959.83 642.33 680.44 3760.43 3372 612.45 3629.03 2603.04 2931.71 3075.66 1240.47 3162.74 3814.36 2495.99 3504.57 3647.77 3060.4 2846.09 2519.39 2817.98 1816.05 2781.43 2184.08 4277.18 2880.73 1947.1 3262.91 3211.26 3816.39 3088.24 3513.71 3144.28 2891.1 1700.03 2936.8 1711.65 3060.47 2518.68 3844.62 3236.97 3270.93 2425.42 3717.89 2450.23 3742.74 2911.23 2962.96 1462.88 3167.78 3839.08 2655.91 2824.63 2182.02 3070.94 2943.51 1880.38 3196.64 2202.5 2026.08 1859.32 3227.94 2696.87 2568.32 2692.21 2545.12 2358.22 3054.77 2572.1 2556.56 2694.47 5-methoxy-1H-indazole-3-carboxylic Acid 1184.16 1817.62 1622.22 1532.51 2275.38 2102.23 869.78 2019.35 506.77 806.5 1924.31 1820.77 3549.5 3495.93 993.5 2140.72 1424.49 1296.28 2658.54 775.4 1092.06 1771.38 2351.13 2466.26 1408.46 778.71 2149.68 2158.36 2162.18 594.3 1329.09 2143.61 1518.81 1636.28 2638.34 2168.32 2142.23 1093.89 1008.89 2962.45 795.7 1779.17 3235.19 2046.97 1251.39 1783.3 2346.62 2661.95 1354.33 2719.29 819.74 2482.48 2807.27 2093.81 1192.01 978.01 1160.18 1776.52 1156.8 1682.91 3076.39 1699.44 2199.29 2075.06 1925.94 2205.55 975.72 1707.38 2098.1 976.61 1138.07 2622.13 1401.41 2985.93 2465.83 2028.33 2253.8 1987.78 2033.81 1946.65 1945.37 1926.62 1510.6 1890.91 Methylseleno carboxyethylglutamine 881.33 383.57 1804.78 389.71 445.35 1265.59 2747.44 1992.48 2377.03 1051.39 1161.54 723.24 1843.42 754.33 1191.42 903.39 419.38 813.77 761.23 925.35 1750.58 1034.57 536.09 1235.62 925.47 863.27 624.75 662.31 393.27 1103.39 974.05 1235.66 636.67 1649.21 4060.68 1651.05 1393.89 1005.37 588.94 3602.64 758.41 868.88 776.7 1435.77 999.03 2325.86 522.27 2791.45 1175.33 422.6 2425.48 511.15 2059.41 2235.03 804.5 1172.03 3301.15 2923.37 908.79 1738.47 840.78 992.62 789.85 557.62 1938.54 2151.77 1564.98 1465.47 1930.91 770.83 1162.31 1634.21 765.5 1498.4 1917.33 1518.96 1024.73 1466.89 1692.47 1803.3 1278.73 825.47 1753.9 1293.88 (2R,3S)-beta-p-Chlorophenylglutamic acid 2154.9 3676.16 1951.28 2401.82 1193.52 2020.71 2989.12 477.93 1769.76 1742.05 584.05 1036.18 3674.94 1954.17 5203.69 2357.9 897.11 2390.62 582.51 1751.88 1161.39 1368.76 871.33 3603.28 823.24 1900.59 2805.45 1634.51 1665.15 1772 435.19 4103.29 1660.25 555.68 2094.78 848.15 4241.81 1675.87 889.74 780.22 1419.76 806.49 4174.36 1925.15 3454.91 3274.31 2204.98 412.96 1744.44 960.82 1143.76 3009.48 734.22 1108.42 6562.38 3796.47 6686.2 3356.24 2323.69 2049.02 2712.66 1558.11 6197.57 1801.39 1028.26 3533.29 2006.59 889.22 512.35 5394.83 629.54 2920.83 1079.19 1952.34 1868.73 2444.47 2393.62 2395.35 2369.51 2396.4 2391.03 2442.64 2442.57 2399.7 Fenfluramine 1733.99 1022.48 1613.73 5067.22 1380.58 1965.88 2677.49 2548.76 6807.16 518.77 640.9 4842.24 3118.12 899.95 2130.72 1920.45 1816.98 2626.83 2534.57 934.34 5453.71 3994.02 2631.06 398.51 1704.45 10625.24 2043.55 4363.24 1005.82 1917.39 2651.33 3118.38 3542 1695.37 1534.99 2215.94 980.57 2075.66 1207.56 692.84 1949.21 2402.03 980.9 1025.54 1034.71 1106.01 2062.32 1421.27 2887.36 3907.22 1803.42 492.91 3129.13 2010.57 1244.73 1897.94 1146.75 1398.58 3615.8 3063.89 850.29 924.96 1582.4 1657.86 612.03 1209.98 1670.6 2391.04 1215.02 2067.62 5240.43 2594.86 1263.28 1826.03 728.67 2093.35 1890.69 1804.2 1785.85 1636.52 2124.03 2105.47 2842.63 2308.92 Ethiozin 1275.73 703.1 451.56 1008.67 769.89 880.98 1336.8 725.17 1065.78 1553.64 2172.28 1442.58 733.11 1181.02 981.46 1294.39 1307.73 660.29 790.44 1588.56 1169.31 803.32 405.68 719.23 829.51 972.4 750.98 647.6 607.83 1736.25 761.16 631.65 1228.33 1831.41 1023.56 1451.97 868.4 727.15 1126.05 436.71 1029.42 1336.7 1187.59 739.22 1369.4 773.58 770.22 572.01 804.05 1004.3 1101.94 1800.42 974.43 738.19 1117.53 1019.02 806.13 1002.18 1097.31 1017.61 2399.66 1459.96 1192.71 2683.03 596.98 993.23 1197.69 544.99 1007.98 1419.41 502.28 603.67 1213.13 1062.64 911.78 1452.01 1369.68 1439.43 903.98 1396.34 1592.26 1439.21 1389.43 1381.91 4-Hydroxybutanoate 4655.74 5508.22 7648 7690.31 5415.81 4890.19 10934.89 11397.15 9386 6688.16 7946.95 5201.99 6550.39 7932.64 7032.29 7901.16 4962.1 7561.29 1609.04 7515.03 6123.43 2456.12 5536.07 6050.7 7104.54 4391.96 5927.29 5168.01 4762.39 5945.3 4355.57 5079.98 5153.64 7543.63 7114.88 6330.46 7090.53 850.06 7646.52 9566.95 5433.07 3083.4 9436.45 6443.7 5716.31 8802.79 7067.28 5596.1 6800.43 3948.91 7579.07 7085.89 7582.86 9458.61 7164.61 6355.39 7385.33 7465.08 5097.53 3345.88 5842.66 6169.92 9320.22 9239.25 6522.81 7526.64 4768.69 5129.29 5879.31 8728.46 7307.68 5602.48 9017.87 9362.65 9004.42 6162.86 6219.28 6232.97 6236.01 6290.34 6158.41 6130.68 6174.26 6160.43 2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole 4015.66 2401.99 1663.36 2595.69 4994.66 1192.97 552.1 5997.01 5501.79 2892.26 2815.65 2010.53 1033.62 2762.54 4551.11 1331.25 5352.6 4921.71 3345.41 3238.33 5816.76 3330.77 2503.04 2837.64 5919.51 922.39 2050.83 4473.52 4796.01 3471.76 5878.47 1344.58 5032.3 3273.05 2574.94 4537.28 3930.74 3212.82 1980.95 3546.11 2685.11 1109.27 2120.27 1601.28 6046.32 2670.65 3528.15 4687.86 2385.74 4756.29 4209.36 4054.95 2101.89 1538.46 5942.42 2315.26 4609.67 1876.81 6827.15 1103.14 2826.66 1578.23 5063.63 2389.41 4423.62 1486.84 3625.11 3875.52 5652.79 4924.26 4901.79 2466.68 6702.54 3974.14 5526.15 4122.23 4167.23 4319.77 4082.53 4290.58 4315.71 4847.3 4176.14 4086.53 N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine 497.56 1023.27 1167.97 644.9 1228.19 516.69 1480.45 829.37 377.33 1953.58 1303.54 1812.55 543.13 1312.53 1356.04 904.05 985.9 1786.77 579.83 1360.07 900.75 1091.47 834.42 1840.17 1047.95 739.14 1075.03 935.76 1331.18 1334.27 1049.91 366.79 473.37 1770.13 589.3 1993.32 464.75 1216.58 1168.89 2082.51 1051.75 1134.99 1029.43 839.99 1028.32 1753.19 1770.58 861.36 386.46 1458.32 432.38 1507.47 959.44 1106.25 921.04 2664.85 1499.03 1491.56 829.73 1179.21 1905.43 1533.34 1839.13 667.44 684.6 2293.2 485.71 1778.33 1409.01 916.64 1148.32 649.54 1138.33 2828.24 1806.25 1685.01 1007.48 1422.62 1530.15 1653.04 1518.92 1681.51 1647.04 1646.96 Phthalamic acid, N-(p-fluorophenyl)- 632.46 1298.58 2110.37 815.59 2064.84 4919.57 1051.7 784.94 1587.42 931.25 1066.51 1035.79 862.31 1622.07 3006.03 822.24 982.85 881.06 1300.49 1628.38 827.51 3301.26 1081.15 959.02 2824.47 1285.25 1244.45 1058.83 4103.69 1822.11 1732.66 944.85 1434.28 1973.03 998.85 1228.13 1442.73 4122.89 1426 1027.19 477.46 1925.76 825.42 932.71 1632.35 973.77 1500.43 597.05 1877.13 1672.87 2694 1609.69 584.59 1137.69 1739.03 3290.11 971.81 924.94 627.59 1014.06 1276.58 1215.58 2388.42 541.82 1927.44 3137.53 3022.22 600.47 641.29 1940.26 1765.7 1221.87 1298.79 1605.32 551.34 1537.44 1636.86 1551.18 1599.05 1636.2 1656.98 1623.47 1628.27 1315.29 Nupharamine 5450.02 4072.82 585.13 2808.48 10112.71 4968.43 4319.25 7086.29 5176.52 2429.01 2181.96 2262.35 4641.82 2635.35 4839.91 1854.18 2076.97 5345.36 4458.17 2523.15 4880.23 3147.24 580.17 2715.69 7780.07 4088.56 3954.05 2364.46 3884.97 1285.54 3483.75 4145.85 1085.73 2746.59 2444.43 7387.24 4009.7 3173.19 2385.73 2148.58 7565.94 11747.38 2183.75 3080.1 3152.43 3331.28 8584.24 2893.66 1832.27 3552.97 2228.3 1645.43 799.52 1791.73 7080 3586.44 602.13 1842.76 4735.1 2539.77 1635.77 1227.46 2338.84 1691.2 793.42 5759.7 2506.86 2952.81 3803.35 5726.98 3561.9 3235.88 1613.27 804.04 2949.83 4174.86 4230.25 4031.28 4154.81 4179.55 4051.24 4049.29 4029.86 4068.22 3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 13586.06 6011.82 9015.06 8760.99 17619.44 13741.21 7245.48 13629.85 31410.81 13569.68 18947.91 9332.21 16747.66 8745.93 12402.24 15250.8 7334.61 13312.94 16225.57 26305.8 9268.84 9488.55 7930.35 10239.58 17956.55 21804.9 4840.07 10011.42 20899.08 4345.12 18538.46 18568.22 15111.67 5869.09 9139.17 17587.28 14959.11 6654.9 8138.93 14768.66 14535.71 15651.39 20495.99 7541.74 12488.53 11470.18 15539.61 12204.65 13941.13 15710.47 12613.63 5163.38 11093.18 18598.37 10316.2 16111.44 10676.43 8918.38 11518.31 826.91 7199.8 7742.54 13317.43 11638.52 4171.33 5081.6 15314.93 6958.51 5077.73 16334.16 16960.78 4466.3 4065.86 31834.68 5679.87 9725.38 9367.18 10482.57 10489.43 9925.89 10501.88 10615.92 10869.48 10288.68 2,2'-Dinaphthylamine 9136.59 4719.38 775.25 1533.08 5013.12 1797.77 2645.26 11994.73 12359.64 9241.34 5892.51 6223.17 4687.7 3732.84 10416.42 8342.24 1328.66 9186.01 6614.88 12234.2 8053.38 5040.23 1506.34 5845.55 8769.29 7482.87 3389.81 738.88 8569.15 922.64 10743.54 7073.06 5207.22 1339.1 5792.68 9501.7 7569.64 1295.97 5238.98 4012.31 11694.7 12901.77 3749.91 5543.69 10315 5235.36 9279.45 3226.18 3178.3 5708.7 9043.69 8710.24 2804.17 3309.63 7872.8 1120.16 2196.67 1061.48 8844.13 3043.34 3921.56 2367.48 8080.76 3513.1 933.88 9945 9439.57 6169.26 4201.63 10227.79 7350.77 841.5 5602.69 1495.4 3661.1 7462.18 6998.47 8215.62 7459.9 7428.29 7214.05 7237.21 7161.68 7128.08 Methenamine hippurate 5851.41 3859.21 2813.02 2560.64 2673.12 4249.91 2105.71 1746.35 1560.7 1945.56 760.86 635.1 981.91 1674.78 1793.88 1788.98 1800.38 1195.14 1750.51 1478.36 1780.88 897.5 2288.27 2553.38 5189.7 4195.79 3504.83 4382.54 3440.43 1916.11 4289.11 2855.73 1089.68 2403.58 3309.13 5265.94 3958.16 2098.96 1751.9 1760.97 1906.11 1636.2 558.87 1047.26 850.97 1068.76 2090.05 1287.41 2350.39 698.07 550.97 1105.48 578.34 1461.66 1515.66 1705.49 1764.25 1722.18 1498.93 795.68 1587.86 1257.71 1318.81 979.03 829.69 1710.94 1049.33 1454.34 850.3 1082.13 2011.81 807.12 952.46 1911.09 1881.61 8501.43 18671.92 8513.75 8399.64 8170.12 9860.95 8642.57 9049.23 8673.04 8551.43 7710.5 8364.56 9023.39 9500.5 9167.28 9353.39 11209.43 9299.01 9578.4 9120.41 10634.07 9135.59 9563.19 10355.47 10364.91 1614.24 1572.22 1524.9 1665.87 1664.61 1663.76 1580.08 1674.35 1538.85 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate 2006.86 6900.66 9810.83 5719.67 9495.3 2322.13 5313.33 9217.3 10592.51 7038 2809.41 5166.13 6068.54 7758.05 6417.72 2307.1 6455.16 5210.36 8378.84 5753.61 4661.93 3649.73 5232.01 8715.46 10428.27 9309.11 9459.38 8638.73 9395.08 7104.33 6442.73 9259.89 3035.1 9099.89 6599.41 10079.63 8185.91 2132.76 6140.99 6042.82 5866.67 5817.64 7713.89 3828.39 7758.56 3992.05 9236.66 7212.85 3841.41 6255.53 5991.41 4373.25 7290.8 5529.53 5796.52 7329.63 6941.84 7640.76 6063.35 4135.52 7763.83 7135.76 4478.8 7902.05 6957.75 2487.36 5647.95 9295.35 8321.16 8582.01 6891.61 6261 2860.83 4801.8 7370.51 7287.22 7387.59 7391.73 7385.08 7289.93 7330.86 7385.45 7296.32 7284.85 Phenazine-1-carboxamide 2438.97 6221.96 2761.27 2873.26 1693.93 2863.9 3343.11 551.06 2724.49 4830.93 1003.43 1875.47 4783.17 1731.51 1320.58 1925.3 3693.9 1212.3 2015.82 1474.41 1835.97 2995.17 3417.24 2707.85 947.32 575.84 2461.41 1637 2172.74 11975.5 2471.25 988.38 2309.5 4674.64 3282.82 782.93 853.27 1479.99 1871.28 2594.21 2328.03 745.81 2874.06 1547.71 756.27 522.42 471.44 3328.87 1239.84 692.41 594.92 6518.37 2924.89 2721.26 1731.16 3902.12 1755.95 2878.37 751.77 3817.29 2363.44 6257.17 1800.34 2944.11 1904.73 2641.65 1029.84 2552.43 904.35 647.25 1070.24 5801.37 2364.36 4545.62 1922.99 2739.34 2690.97 2690.17 2521.5 2708.17 2742.7 2766.36 2691.67 2740.5 2-[(3-Chloro-4-methylphenyl)carbamoyl]benzoic acid 1466.57 1002.28 408.85 428.33 776.02 3055.26 4166.48 711.85 1005.19 7211.13 510.93 838.97 307.29 1065.46 803.35 822.98 625.56 694.68 839.6 1053.58 711.89 1091.75 482.47 540.53 1008.89 9115.06 460.38 756.43 818.85 619.41 848.45 384.97 2150.26 466.18 591.69 890.33 782.41 495.35 780.83 427.03 744.93 1370.44 369.97 505.34 476.34 742.75 883.58 682.2 1354.72 396.04 2754.24 804.29 430.02 1037.43 1914.4 857.17 734.05 1521.89 514.62 1247.48 1148.5 460.68 462.49 1235.84 520.54 772.43 837.71 758.15 766.97 852.46 528.41 4710.27 813.51 524.62 793.51 1456.45 1457.6 1458.63 1449.66 1460.24 1144.22 1369.24 1436.66 1399.36 12-Demethylmulticaulin 2136.35 1285.27 2552.52 1606.08 798.96 1452.31 953.53 6451.1 2472.16 3491.56 4422.98 2247.71 2000.15 3074.92 3321.86 809.59 1408.86 608.44 3267.58 3460.95 3867.98 923.34 668.07 1322.96 4605.26 991.36 2364.44 2079.54 661.79 1874.91 548.61 2060.24 876.85 2558.25 1939.89 2425.72 2189.16 1502.16 2049.38 4036.87 1701.4 946.52 3090.38 1967.54 1960.69 1366.38 2147.85 2503.32 1636.63 2127.84 1496.43 1478.07 1394.93 3201.6 3604.49 3840.12 1660.76 4381.51 701.11 1108.55 2609.45 1451.52 1811.3 3400.78 3878.72 2716.52 3788.61 3290.02 2085.9 3693.92 1249.05 2540.15 1934.26 1812.06 2644.23 2110.37 2285.84 2280.71 1677.37 2260.99 2128.4 2054.52 2013.45 2262.98 Cinnamamide 1149.46 4842.14 12572.73 8433.31 895.34 3632.93 3768.73 1255.89 872.62 537.63 1428.12 3032.49 4862.44 1210.82 2010.56 2544.86 4215.41 1481.13 2244.51 1880.72 1707.7 3780.8 3155.77 2930.25 1114.63 1268.04 799.18 1050.09 2214.05 1669.75 1315.71 4633.94 2294.43 1756.99 2649.69 1666.43 1222.99 4403.26 922.53 658.52 3034.65 1941.5 1833.87 721.32 1223.52 6598.04 1120.4 1840.28 4074.34 2192.46 751.76 6638.21 661.84 1523.72 2310.24 5990.65 8153.19 8054.36 1023.24 9160.72 2815.69 6428.32 1821.5 1462.9 854.56 1442.47 1387.61 10641.63 2202.45 1093.78 1018.16 906.59 1678.26 4114.44 6122.49 2362.81 2279.94 2325.69 2277.4 1990.05 2283.41 2337.15 2273.09 2317.8 Dinobuton 720.59 2491.39 7412.75 1690.91 1046.15 8396.22 1342.58 19207.44 17750.22 13309.59 10588.53 14715.3 2613.04 16135.81 13366.26 17313.48 14108.88 14436.7 14627.13 21848.39 6235.96 672.44 7440.48 13213.38 5556.89 10202.58 10677.79 9100.08 14527.49 7053.79 15483.48 6901.6 4864.7 5549.99 8709.9 11798.79 15941.72 2436.76 8305.19 2064.68 5064.42 9302.01 11906.3 7623.59 7414.04 5312.02 7729.01 14873.39 2531.91 14003.39 6750.18 8377.17 3583.83 6333.45 4714.83 8145.96 2171.14 3846.69 8404.78 5484.57 11601 5981.21 4083.78 8623.65 9965.78 5623.63 15715.01 5285.62 17412.03 9827.92 10865.85 1220.02 14176.98 6843.17 5993.24 9328.65 9589.18 9219.06 7589.86 8650.55 9226.93 9145.81 8890.64 8198.03 2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro- 2429.53 3255.74 2387.09 2976.58 4924.7 1959.05 1160.83 1947.35 1683.45 1823.84 1299.95 1475.67 1716.05 5051.03 1874.49 1787.06 2723.9 2303.01 2391.41 2090.74 648.47 2066.98 1710.99 2727.42 3033.96 2773.86 2405.44 3118.53 2781.14 3316.08 2184.29 2728.31 1117.31 1925.25 1510.13 3621.71 1391.23 1272.86 1176.2 1822.36 1160.18 1722.27 2741.43 1430.61 2286.26 2132.54 23092.59 1408.38 2210.82 1979.15 2858.04 1527.41 2029.64 1536.42 11956.55 1261.52 1551.15 2819.21 698.11 1138.61 1765.56 2900.42 1886.25 2753.21 3205.78 1678.71 1331.21 2091.79 1191.89 3590.45 3056.96 2030.43 1673.29 10030.06 2162.78 1800.98 1782.08 1745.94 2006.71 1951.57 2025.11 1664.42 1801.06 2042.23 Ethanamine, 2,2'-[oxybis(2,1-ethanediyloxy)]bis- 1847.25 4440.89 6508.57 7112.29 4562.8 6643.32 6844.06 3982.1 5321.34 4517.35 4819.31 4770.32 6306.81 4276.35 3668.32 8276.43 3143.16 2608.3 7977.87 6475.78 4493.34 3344.73 4994.16 3398.69 3974.38 4744.65 2979.15 4857.74 6058.88 4866.89 3610.71 7152.24 1447.66 6759.07 5539.47 3274.14 2207.63 1832.6 5079.76 4407.4 3310.99 5353.93 6747.41 4610.36 5428.83 4439.86 4921.61 6085.92 5621.67 9647.85 1460.84 3279.75 5321.2 5817.03 2601.31 3523.17 3722.4 4070.87 2090.99 1946.44 2846.06 2541.6 4858.99 7087.51 4461.45 4870.52 4766.72 5145.24 3571.76 3446.33 2653.96 6023.88 5330.18 5462.6 7578.51 4589.8 4680.77 4843.26 4589.11 4591.89 4678.14 4661.92 4610.44 4589.34 (S)-N-Hydroxy-4-(3-methyl-2-phenylbutyramido)benzamide 4119.3 5286.83 4610.04 4988.24 859.69 3466.36 2813.51 2111.37 3118.97 5945.34 4691.55 1996.15 4438.29 6555.96 3511.33 3429.48 3261.28 1814.53 978.56 3838.09 1707.64 3404.46 4368.54 4176.79 2981 1768.3 4740.6 6730.59 3380.61 10031.87 1276.42 722.1 733.92 4394.86 5937.33 1109.88 4398.22 3897.53 2818.03 5098.63 694.22 973.53 4303.81 7361.88 4940.18 5281.09 2499.29 4702.91 1831.34 3281.34 1856.45 5013.79 8182.34 6316.42 3056.73 2252.07 4682.54 5193.48 2291.78 1585.78 3335.86 3195.92 1127.83 5662.24 2111.61 2400.21 848.82 1675.81 4202 1905.06 3502.63 1030.15 1889.66 5933.53 5253.13 2975.28 3197.44 3205.49 3061.32 3207.43 3196.65 3189.32 3019.97 3196.45 5,6,7,8-Tetrahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidine-2,4-dithione 1905.67 1224.05 2920.47 1325.26 1283.17 789.1 2028.51 3116.73 1745.6 1799.06 3045.71 1122.44 1239.33 2235.26 1056.33 611.95 781.8 1330.8 1318.05 1792.14 3294.64 1614.03 609.71 2067.8 1710.7 1364.3 861.62 2098.84 1277.07 2362.91 1947.12 1630.46 1488.34 1497.81 1900.24 1389.74 988.2 2060.72 2114.64 2535.3 1071.11 914.77 2242.28 2174.5 623.78 1157.11 1030.22 2083.03 1456.76 894.68 1585.79 1907.6 2270.08 1260.89 2051.5 1650.47 2056.08 2249.58 2583.85 2209.3 2395.62 2313.7 2016.16 2586.22 2783.35 2129.03 1259.67 2366.96 2348.79 1428.24 1687.34 1815.46 1266.36 859.02 1493.39 4438.42 4425.9 3232.68 3165.0 3778.04 2908.7 2620.89 2691.91 3448.34 3233.81 2685.76 2835.42 2515.16 2353.03 3116.13 2065.08 3040.37 2948.87 3470.79 2776.57 3104.88 2650.99 2569.15 2867.32 2613.57 1392.03 1511.85 1495.55 1429.04 1591.19 1470.7 1539.87 1407.43 1354.96 Pridinol 509.46 552.82 404.28 5467.05 2519.49 1100.52 7873.65 609.52 877.15 570.03 560.04 428.26 293.17 899 746.14 1842.61 683.42 416.67 365.55 655.32 527.45 1047.82 982.2 292.79 746.37 863.64 985.24 1081.97 956.26 1059.48 590.26 886.18 689.1 795.05 890.91 637.05 398.94 341.33 1037.5 973.95 8741.34 1855.06 1105.98 629.42 387.96 2370.41 722.36 994.08 1037.15 625.93 531.81 703.48 253.12 1860.16 3466.96 744.13 1141.51 776.22 721.11 540.57 314.65 1079.65 511.96 1565.33 900.96 800.88 1170.22 520.79 898.04 478.12 417.51 356.62 243.32 1048.46 1651.16 1935.41 1845.62 2208.18 1837.05 1845.77 1424.41 1839.5 1941.62 1845.14 5-Amino-2-(trifluoromethyl)benzimidazole 22701.47 20422.39 23302.88 21230.55 21452.75 17372.52 19239.63 25175.37 26288 23875.51 9001.78 21992.22 24885.81 20825.58 22229.17 20813.68 23624.74 21791.14 21330.45 20033.49 21787.41 17090.88 18400.8 23361.82 20897.39 23225.62 23843.59 22326.15 24124.99 14076.31 18285.66 22241.55 21866.71 24635 22357.54 26001.22 20676.86 12653.33 21978.7 15764.88 17528.66 18190.82 22281.27 20619.77 24671.81 16922.66 25403.66 23149.96 15220.53 17334.72 16982.46 17497.14 23469.71 15190.26 16770.82 20553.73 18623.82 18527.37 19355.04 14679.27 17307.59 19069.88 21043.84 18969.23 20602.86 20060.26 17136.13 25127.59 21201.44 22420.02 18571.79 17989.97 13837.84 15408.09 19159.7 20026.39 20270.01 19872.89 20092.31 20061.01 20214.12 21008.45 19958.02 20278.86 Octahydro-2H-1-benzopyran-2-one 3233.3 2903.21 5571.27 4124.57 3469.59 5620.61 4091.28 3303.27 4249.63 3936.39 754.74 852.09 2294.35 6157.7 1966.37 6239.63 2513.29 3581.08 2481.17 10015.85 1439.97 1718.06 3524.37 3144.28 2225.4 4925.13 2355.68 3018.34 2914.46 4314 4757.31 2518.79 1794.58 6623.36 3681.15 3195.08 4056.18 2233.72 3495.2 3314.72 4798 2889.8 3664.26 5209.41 2809.43 3550.86 2707.99 2453.26 10755.5 8802.28 3702.91 3158.35 5817.32 5342.49 4273.32 4643.9 7907.14 4950.12 2482.23 4120.13 5890.8 3757.61 2560.65 4660.69 2233.48 4391.18 3222.78 2176.09 3982.21 2289.31 2650.41 1735.14 3155.64 8586.93 3284.08 2884.93 2876.77 2871.05 2950.98 2880.13 2950.71 2796.74 2945.62 2937.2 1-(2,5-Dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione 1973.64 1679.95 3365.7 2335.47 3362.95 3328.67 5022.88 1821.75 2893.05 6206.78 3866.14 4791.14 5146.86 4471.77 5728.43 1190.5 5301.87 4650.63 5881.78 2476.61 575.89 672.4 4417.61 4110.42 4754.71 4179.18 5415.62 6161.54 2360.79 2835.8 3241.88 3464.07 4567.04 4497.83 3942.27 3324.17 4113.88 4787.85 5078.71 5998.26 1395.44 4010.73 2570.26 4865.17 2750.42 5277.01 4234.35 5913.29 2821.06 5053.11 3298.85 5394.8 7024.58 5805.38 4374.78 5806.88 3842.01 3145.75 4078.71 4154.4 4135.41 7249.79 5095.41 1606.5 6963.6 4588.96 2612.69 5919.82 5312.87 5141.92 7144.05 5364.89 2441.71 8477.24 3400.38 4256.11 4004.48 4249.86 4239.04 3971.67 4227.49 4211.68 2629.87 4215.58 3-Methylcyclohexanethiol 1088.72 2211.8 4482.67 3737.75 790.7 696.25 2286.88 635.94 839.29 1263.04 846.52 626.82 3021.02 608.15 603.45 553.1 613.44 1303.6 1013.34 480.64 1131.28 497.77 830.05 1252.42 871.36 2223.52 1770.92 574.22 1166.87 2087.13 914.43 1496.68 680.36 1870.03 850.87 656.18 823.26 2594.95 1153.26 725.46 960.42 1208.2 1024.19 1243.56 1085.61 857.74 969.29 598.53 971.19 1926.49 1184.82 3808.57 973.22 1170.21 1388.03 3053.09 4720.32 3686.36 872.6 2043.54 1248.93 3401.92 1283.16 508.83 1469 1447.46 1797.94 963.23 1144.06 1035.08 916.11 3006.5 466.45 2118.64 953.81 1180.29 1235.42 1196.02 1239.8 1237.39 1193.58 1188.09 1136.64 1273.6 8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 23841.77 19884.84 25427.62 21548.05 23341.27 16370.05 9987.17 13855.5 20598.16 17035.67 3271.33 7984.64 11501.72 17603.45 15643.57 15530.3 17489.06 16120.58 14258.19 14612.36 8958.84 7807.66 10435.34 23505.24 23640.07 25154.43 22975.45 21082.36 22163.05 15445.65 17684.44 19076.99 10564.74 24735.44 18960.64 23716.15 13140.89 10245.01 18318.58 18319.02 14817.74 18415.47 19442.78 17916.92 17833.2 13349.52 21486.37 19085.93 13147.96 12754.76 16124.11 15485.12 17892.6 12692.26 7598.56 17392.13 16965.39 16318.24 17125.85 12221 16142.77 14867.98 17946.78 18328.99 17532 19999.13 15290.95 24392.45 20811.12 18279.18 19240.2 18177.03 12443.92 14881.05 18954.96 19533.43 19047.62 18833.73 18992.4 19136.8 19154.5 19006.58 19172.06 19035.7 Tulobuterol hydrochloride 772.51 763.62 532.76 1845.71 1851.47 458.71 2488.46 1391.22 4026.69 3062.86 837.13 3715.51 3377.47 1630.75 2668.16 3180.02 3110.54 3172.39 3875.99 3168.34 1296.7 1759.57 2347.64 747.36 1867.83 1474.35 1904.61 914.72 934.19 1568.99 851.9 1808.27 600.35 970.87 1155.44 1070.34 974.03 567.37 664.32 857.43 652.49 637.49 1202.01 1767.03 1718.55 1252.9 1226.64 1067.71 1362.86 1303.68 1612.07 741.68 1651.61 1353.2 1584.7 1363.19 1767.92 2010.07 1475.97 1862.54 1366.4 1417.37 1740.56 2232.36 2692.89 2808.15 1717.1 2951.79 2773.04 2784.62 2687.63 2988.25 2105.23 2651.35 3246.23 2610.74 2778.69 2565.12 2353.36 2679.07 2629.55 2680.38 2710.2 2605.26 Methyl 1-(4-(trifluoromethyl)phenyl)-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate 1388.61 421.21 753.43 1461 1645.32 778.66 531.22 2481.62 1101.95 394.75 767.37 1669.55 1941.61 1453.85 1429.38 583.57 428.54 2099.02 755.49 1317.11 1796.23 1141.79 1014.45 952.92 3086.07 550.7 1016.26 1665.65 2308.62 3209.99 3187.87 771.09 537.34 1545.12 1125.71 2175.38 1838.48 588.64 882.17 1554.1 3751.03 2670.26 938.37 603.4 1709.03 1318.32 779.74 965.26 1895.63 430.46 2679.07 1487.4 902.05 772.27 3106.11 985.06 677.73 949.95 1501.75 999.02 539.08 977.08 702.36 912.93 726.76 2060.1 1323.92 1920.03 990.83 762.71 831.96 603.17 652.58 1036.91 510.52 1292.02 1385.7 1388.46 1387.8 1269.52 1608.98 1296.81 1258.26 1391.45 2-Chloro-cis,cis-muconic acid 1492.42 779.58 1269.24 2300.18 508.31 2551.11 1679.82 1527.58 497.37 465.78 682.9 533.68 658.57 1206.95 1039.87 903.97 1066.42 761.12 616.22 804.1 1043.29 612.25 633.9 627.6 8722.32 447.05 471.43 1511.85 5777.21 753.08 1045.81 1732.85 796.27 2773.65 1574.36 2924.39 2256.75 1321.13 3648.53 2794.49 783.91 574.57 1830.96 986.16 730.38 1557.86 777.27 1091.84 566.05 1234.09 408.13 5168.17 874.49 846.82 1121.92 725.92 753.26 716.89 750.82 2970.79 996.97 785.31 899.91 826.28 941.7 1071.52 1054.46 817.68 1011.16 878.66 704.65 695.54 507.79 665.99 788.64 1020.04 1017.15 964.36 1032.73 965.38 974.17 1202.65 958.16 1098.19 2-Hexenyl-beta-glucopyranoside 7280.06 11670.87 4031.01 7438.21 5661.74 14220.41 13015.28 18803.94 8785.29 6651.33 10171.08 5911.12 7672.66 8991.29 8549.16 6352.44 4627.41 5609.27 10153.27 10982.52 10578.03 6059.09 3707.62 8480.76 3866.73 7512.98 6461.66 7345.41 7596.57 8188.12 8494.54 7674.14 5297.59 6235.72 6181.78 10297.25 8157.05 7928.07 7087.18 8901.43 7158.26 9659.34 7333.54 7286.42 7320.38 7763.87 12628.2 7106.61 5722.76 11360.72 7412 9944.19 5186.84 10909.19 10431.58 9616.31 6379.64 8598.17 6174.83 6736.96 7186.51 5973.22 8205.54 7366.81 6538.78 5743.49 10700.81 7309.45 9518.55 8056.59 10620.74 8133.65 7932.58 8688.17 7603.55 2587.14 6772.59 3401.8 3032.87 744.48 3265.78 2487.03 2357.8 2626.49 2525.87 4284.43 2456.95 2906.56 2431.26 2981.73 3410.56 2807.65 3363.25 2565.49 2599.45 2488.9 2885.38 654.51 2611.18 2786.87 4545.74 7016.61 6637.11 8166.13 6285.2 7013.66 6693.42 7015.41 6539.53 4-[(Diethoxyphosphoryl)methyl]benzoic acid 653.68 2670.94 1164.15 897.2 1103.62 2989.12 896.97 491.52 925.08 1043.31 693.27 1174.23 1770.7 2131.29 1411.03 890.15 1267.09 458.27 1557.25 2173.7 868.41 2839.75 629.37 1383.81 448.16 2464.5 1020.6 738.34 794.93 912.13 543.03 3294.44 1076.42 413.24 1387.97 1141.56 802.53 5343.09 795.8 1925.26 1290.48 1140.61 1030.35 1948.6 1212.01 631.64 1300.84 1367.21 576.32 1659.08 835.93 1152.15 940.77 1363.55 907.06 2315.32 1853.88 951.38 656.87 1204.7 539.72 497.82 605.68 1591.25 648.6 1967.8 2139.63 2527.65 1423.3 2205.8 2048 815.74 495.87 608.5 880.92 1536.54 1452.43 1463.85 1323.46 1543.57 1326.7 1541.46 1571.42 1493.62 Thiophanate-methyl 3756.04 3211.81 3564.53 1252.7 2712.69 2701.13 5844.39 4824.65 4367.17 5105.77 4562.09 5497.68 3528.68 3380.26 4087 3617.44 1854.64 3862.29 2685.24 3333.29 3901.41 3056.76 2428.14 1512.8 1152.14 1679.03 2324.63 3421.24 4089.75 4189.24 3351.03 1493.27 2699.7 3342.12 3723.16 5222.63 4128.2 3592.21 4626.61 6980.58 823.84 1561.41 3499.64 3349.05 2842.21 4547.28 3982.76 4442.49 5537.08 5218.02 5308.49 6399.25 3949.94 4895.11 3845.85 4751.82 1759.23 1404.76 2656.36 3237.2 3787.66 5635.47 6559.13 2319.67 3133.69 5791.2 4196.87 4862.33 4244.33 5479.81 4216.25 2497.83 5500.84 3659.06 5151.23 4119.56 1077.42 3852.93 4242.7 4450.12 1123.87 4333.9 4755.82 3384.17 2867.5 1978.75 2811.78 6661.64 4130.07 3554.81 2767.35 2996.95 1418.46 8171.52 3677.03 4993.55 3312.77 4788.75 3992.11 4480.8 4438.98 4204.6 4214.5 4105.57 4048 4185.89 4177.33 3980.75 4210.49 2-(5-(Trifluoromethoxy)-1H-indol-3-yl)ethanamine 9486.38 8190.86 8488.11 4362.44 3763.95 3686.42 6514.56 12228.99 12432.45 8275.93 3359.86 6801.87 9830.46 8314.49 8423.67 8320.55 6454.34 10003.7 11054.25 9138.83 9910.99 3614.94 8598.79 7241.21 10411.08 9753.38 10351.5 9585.03 11147.78 8170.28 7735.4 9447.97 6083.35 9578.11 8527.99 12926.79 7747.89 2645.64 9510.23 5600.71 6831.68 5464.57 9354.83 5889.99 8593.42 7299.68 10485.83 9944.03 5162.15 7227.19 7052.51 4869.29 8029.84 4345.9 4079.32 7070.3 8217.91 5942.79 9284.67 2801.71 6895.46 5593.8 8493.25 7446.6 8335.79 4943.06 6542.84 8054.14 9352.06 12383 8377.2 5672.73 3245.97 5756.78 7419.54 7415.17 6797.93 6987.36 6902.41 7323.99 7196.1 6886.09 7312.04 7076.08 C.I. Acid Orange 3 1221.23 1544.87 4440.39 1193.11 621.34 1549.72 3628.48 943.54 1072.39 637.9 2124.76 2112.3 3277.22 2297.14 1290.05 2237.95 905.99 725.74 2863.85 1346.25 596.18 1238.25 577.27 2365.11 1237.97 1474.6 561.54 2515.19 616.93 1325.53 1466.11 3466.86 815.43 3210.59 2085.09 1758.76 1029.53 1283.39 2884.27 3210.54 1453.42 1721.11 1971.4 770.25 1217.64 3651.54 1305.06 1669.98 2441.53 3135.88 2095.58 2855.83 2133.96 2714.47 2566.46 1730.87 3300.71 2785.12 1199.67 1128.01 2546.89 2798.92 1574.98 852.54 1289.5 2981.91 1301.45 1580.79 1860.56 1242.15 777.72 2031.83 1925.15 3244.29 2380.58 1578.92 1459.37 1519.65 1511.55 1519.92 1453.57 1495.52 1512.37 1450.15 {[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy}phosphonic acid 1304.8 869.24 717.97 1800.8 2395.27 1382.57 1394.69 5253.48 3022.34 4537.32 1667.15 2224.45 1834.41 1133.04 2007.62 1402.85 1781.88 5890.76 2974.22 3048.39 2457.87 3899.54 637.59 1059.92 3182.58 6713.39 1201.67 602.12 3564.23 1011.84 3038.3 6493.65 2049.94 1934.37 759.27 1302.82 2826.7 11952.1 1417.52 449.01 6148.15 2026.25 2508.3 1315.88 1730.62 1007.44 2233.18 2082.18 1196.82 1929.01 4056.29 1646.38 1723.81 898.77 4103.42 674.16 1524.98 687.24 1672.18 1938.75 1262.25 2643.34 3881.58 1122.64 1455.7 3089.24 2199.5 2122.69 1702.12 2593 1373.9 747.39 1271.67 1003.69 721.59 2895.94 1691.2 2857 3069.25 3094.01 3052.49 2888.4 3050.36 3038.32 (4r,5s,6s,7r)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one 5437.45 4338.39 3419.76 3529.05 3957.37 3818.8 14338.44 3050.56 4369.71 8888.16 6266.25 9705.76 1765.21 3475.69 3985.19 9363.19 2052.76 2458.79 6755.39 5327.39 5689.47 3543.59 8418.27 4148.99 2837.39 2256.75 7793 7248.38 4132.15 756.92 3996.67 6299.52 4208.9 7547.72 6900.04 2169.9 2512.65 6633.03 9502.89 6228.83 5405.96 5024 11135.89 8923.26 5587.33 10329.64 784.79 6202.57 7717.03 12586.73 3900.69 1167.32 9069.74 9627.29 1622.57 1988.47 2606.16 6313.17 5273.57 5015.04 5591.67 6641.3 4666.63 6974.78 2283.45 3547.91 3397.89 4158.82 6498.64 5235.14 4417.81 9987.86 13446.39 8945.22 12084.4 6209.04 5955.92 6029.65 6163.51 5648.92 6033.99 6418.27 5618.31 5615.3 Guazatine 1848.68 2189.27 501.61 1644.76 379.7 707.98 2321.9 1501.73 2393.34 4013.76 1211.87 2213.04 1972.04 2826.62 2388.63 1478.32 3039.74 2422.3 520.78 1419.55 641.26 40350.69 3071.14 3133.33 2419.44 2151.96 1031.33 1379.66 1609.05 3467.31 2046.2 986.42 2570.37 1519.95 1979.97 1162.43 2192.22 2375.16 2067 3863.34 1701.38 898.92 2750.77 3193.52 2911.78 2134.47 1241.85 1852.78 2031.1 568.99 1721.29 1981.14 2222.91 1893.85 2157.91 2133.63 1865.44 3265.23 2121.1 5278.79 2880.75 2191.88 2034.72 2348.11 2658.01 1596.08 2394.31 1831.98 3771.76 1941.42 1753.69 1583.61 1051.59 932.86 1024.16 3279.96 3251.3 3050.35 3003.91 3239.05 3382.17 3105.35 3054.24 3293.13 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) 477.06 436.44 1646.73 1310.26 2299.34 1779.4 373.73 2083.06 3470.47 4065.79 671.46 1285.58 2747.1 1784.75 343.05 660.75 1429.63 536.81 373.22 1159.28 2023.63 10552.09 2373.32 396.39 2795.49 1490.99 2279.12 2430.58 2350.38 1070.23 1886.81 372.45 734 2011.75 2099.72 5191.69 5214.39 6227.21 1915.31 2816.72 6988.16 4767.3 776.14 1830.2 2189.51 2852.25 4299.99 3998.73 6284.85 2595.45 3952.54 2352.31 2358.21 3979.53 6886.49 2409.23 1079.19 687.38 5593.66 2122.93 1388.52 965.02 2812.71 1747.76 5658.3 3736.71 2554.84 3089.68 2654.7 3859.12 5099.66 3246.74 3375.91 890.06 3176.74 3344.08 3334.05 3249.26 3678.18 3659.02 3632.9 3625.58 3477.55 3633.86 Octadecyl fumarate 3651.62 844.17 2206.57 8745.63 1867.96 3035.58 2649.77 582.23 1727.53 612.53 1735.02 1774.6 2617.39 561.24 1123.64 1036.75 2047.89 1178.03 1501.12 713.38 1844.38 2195.98 1713.48 2307.54 721.35 552.32 524.42 1777.5 1659.87 2562.47 1080.95 11100.61 1710.36 1349.32 6388.65 639.76 1630.49 1706.78 2932.64 2347.69 3046.72 4857.91 2595.11 2190.03 1087.84 21185.51 1072.05 1823.1 1364.2 667.24 1270.2 2056.4 3221.85 2732.03 989.6 2378.07 3277.73 2523.82 1474.33 1260.55 592.48 2181.51 619.78 623.58 1168.32 5020.03 1095.27 2127.45 527 1707.63 1264.78 1999.54 1289.48 2859.51 3237.48 1799.09 2205.73 1256.77 1823.73 1726.41 1849.7 1829.08 1655.88 1667.13 5-Methyl-1,3-benzoxazol-2-amine 3633.93 4555.07 5135.42 3450.12 6265.72 4624.29 6317.4 5035.08 1817.12 6637.21 4959.68 6197.03 8212.11 6206.01 6825.49 7556.88 5865.6 4603.09 9569.32 3657.9 3811.66 4422.84 5438.73 6250.44 5193.8 4905.98 5627.35 6051 5579.59 3669.03 3234.03 8832.1 5683.79 6739.51 5708.04 6364.67 5506.46 4631.92 4856.06 6066.05 830.85 5423.49 6638.98 4383.62 5595.3 2340.7 6931.27 7561.41 5305.72 7487.39 3129.33 4336.98 5988.88 6405.07 3825.01 6514 5629.33 4072.91 4039.48 3960.16 4740.94 5919.22 4211.11 4792.67 5166.76 6240.79 2908.3 7048.5 5808.27 4257.23 3839.92 5715 5109.85 6202.66 5667.68 5644.95 5440.75 5645.65 5646.81 5550 5652.81 5547.67 5541.04 5547.05 (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid 3018.42 802.18 2478.31 2030.7 960.82 784.02 884.33 2556.02 1614.03 2886.47 2010.87 943.86 999.53 3621.58 1560.38 704.03 2224.09 1038.96 1384.45 1124.42 819.31 1456.61 2397.15 2166.85 2412.98 1092.55 2585.68 3151.61 1806.48 2091.68 1380.48 2300.82 852.14 2462.57 2684.88 800.24 883 902.75 4343.92 3254.75 1326.31 2771.33 4827.26 3178.84 1158.47 1190.53 863.9 1856.95 685.71 2707.5 1222.85 1816.39 3653.93 2114.29 1263.58 2117.35 2408.32 2275.1 1590.26 1923.06 2561.67 3136.95 1449.69 1762.2 1316.77 1913.4 1027.62 2238.04 1825.7 1338.32 988.42 2525.76 3496.68 2875.67 2748.51 1574.4 1581.15 1264.24 1447.98 1643.63 1411.72 1577.2 1437.73 1600.87 4-Heptyloxyphenol 1670.07 390.52 696.96 229.24 418.89 545.25 768.3 783.25 678.31 561.93 602.92 209.92 419.69 1085.57 170.29 792.57 401.22 636.42 699.26 2161.08 361.06 470.29 190.13 491.28 712.11 599.52 206.29 521.95 455.01 2308.05 336.73 601.69 651.17 657.78 595.48 679.03 406.11 809.88 191.19 878.04 1683.06 765 522.3 914.38 749.17 771.16 843.36 355.64 3038.39 2183.98 270.04 352.32 698.11 1151.97 617 1779.47 260.4 545.24 265.54 717.37 651.09 975.42 278.35 650.39 526.92 764.06 375.73 715 706.9 267.99 287.37 461.08 192 777.32 607.34 1073.63 1328.69 2325.7 1391.02 2635.03 1805.05 2064.26 1658.81 1966 4-Methylene-L-proline 2981.01 4079.75 3851.01 4259.1 2196.83 3066.89 3689.34 4568.65 4353.9 3867.55 3652.35 3176.88 3778.04 4532.47 4181.42 4266.7 4349.64 3722.63 3615.56 3895.43 3362.12 3483.02 3213.97 4485.62 3958.36 3779.64 4529.77 4332.48 3638.17 4322.97 3185.13 3767.68 3809.63 3967.39 4213.99 3985.45 3988.33 4658.18 4547.5 5074.78 3795.17 3553.78 4283.66 4616.9 3603.26 3889.32 3315.05 3901.98 3099.44 3084.71 4222.93 3934.12 3884.77 4242.71 4188.64 3988.85 4620.19 4845.21 4083.29 4236.39 4559.71 4620.08 4009.85 4741.36 3659.67 3617.86 4099.34 3467.2 4869.02 4020.57 4303.35 4451.1 4149.32 4317.93 4034.3 2419.42 2519.05 2315.55 2192.78 2369.46 2291.28 2486.51 2473.01 2372.65 2408.28 2206.31 2202.43 2306.16 2142.17 2488.79 2325.24 2450.44 2402.18 2576.01 2374.58 2470.2 2321.95 2632.71 2537.4 2372.28 3901.24 3981.33 3966.79 3880.55 4214.56 3901.74 3955.73 3978.98 3983.44 4-Nitrobiphenyl 19730.84 16696.29 18699.81 16534.31 18055.29 12953.77 7849.6 13796.45 19331.91 15506.04 6178.67 17751.84 18037.16 15075.45 15827.65 15725.7 15601.24 17025.2 16630.27 16683.38 9837.21 14172.99 15164.71 18482.74 17594.76 21356.69 19281.18 17789.93 17169.64 13806.44 14457.92 17435.85 15909.72 19040.93 17064.99 18487.96 14084.54 9296.33 15084.42 15354.75 13600.63 14294.6 15553.97 15202.5 17008 12641.4 15519.57 15981.38 11177.3 12905.84 13564.47 14357.61 14465.34 12281.95 7126.73 14599.61 15358.29 16249.19 13842.98 10126.29 13255.27 12870.76 14825.32 16493.33 16226.61 15981.61 12996.38 16964.02 15925.02 17274.44 15501.98 15203.45 10695.74 11226.76 14883.55 14680.37 14550.05 14797.87 14394.82 14395.44 14691.14 12816.59 14379.37 14684.25 N-Methoxyspirobrassinol methyl ether 3837.07 10040.98 9667.35 14347.43 14122.91 7463.98 6184.67 10875.82 9647.07 8191.19 8062.19 12660.66 7545.76 14647.08 9538.48 8322.72 9286.42 3835.46 16795.97 6061.87 2155.12 12968.83 10906.68 12160.09 10201.05 6542.29 14248.89 9786.43 14971.84 1425.21 1876.25 11929.56 12350.26 11741.07 10301.55 8872.27 11284.3 6657.23 10462.35 11229.64 5631.91 8612.65 11334.56 9842.84 4498.3 10270.97 7267.79 10113.56 14113.74 11045.79 5956.77 10616.9 12582.36 2855.09 8921.96 13096.12 2789.3 6178.22 7822.43 2306.41 12561.46 13972.32 9254.42 5464.33 1557.04 13939.54 4010.26 16258.96 6821.02 7676.7 8382.08 13661.19 5705.62 12024.83 6858.37 7657.81 8036.09 8473.82 7148.14 8935.12 8448.83 7983.67 8481.73 8061.69 Dicyclohexyl(2-methylphenyl)phosphine 987.95 3465.19 2294.57 864.5 687.13 2150.76 1162.37 2425.87 1600.89 2331.63 2968.46 2594.34 1113.93 648.05 1559.49 902.63 1625.19 2876.58 2062.28 1108.33 1013.33 838.05 1431.13 1198.41 1982.62 1212.98 2163.98 1146.36 1083.94 3413.48 1599.67 1335.96 1801.65 2178.68 3275.59 1807.37 3356 2795.14 1553.01 2264.06 1313.11 1035.38 1170.88 2874.32 1969.11 1374.49 1168.99 2435.16 1642.78 618.43 666.33 1634.93 906.55 2341.6 2560.38 1246.25 1946 2125.58 4855.55 4208.15 2048.13 2034.1 2702.58 3442.01 2205.79 617.21 1468.92 1751.78 2043.67 2021.43 2244.63 3147.19 2075.36 518.73 2192.67 1574.72 2302.79 984.76 4667.54 4145.69 950.86 819.01 3476.57 1373.1 2599.96 1244.82 5523.28 2968.02 692.99 2433.59 1026.26 5493.53 1756.33 2654.15 4315.74 2169.62 2264.22 2486.66 2740.58 2309.19 2861.93 1781.25 2417.07 2144.87 5-Chloropyrimidine-4-carboxylic acid 5997.03 9372.75 4186.66 4710.56 4515.57 1903.69 2633.94 3119.34 4135.49 6131 2299.19 5328.19 5764.2 6227.68 7042.96 2434.23 3919.54 4279.56 6976.5 2391.11 4869.04 1086.5 3840.97 5129.88 5159.3 4148.97 4410.95 5256.97 7594.72 2518.58 4662.28 3509.35 7053.03 4414.59 3839.88 5250.14 4004.28 2748.63 5239.21 12035.55 6301.47 4719.85 3834.79 4374.71 3224.11 4415.78 3512.01 5480.68 10449.43 3968.26 5068.83 4965.9 3837.39 3247.44 7342.5 6300.28 4323.03 3844.44 4116.59 4620.05 5292.42 7946.91 3827.48 2104.7 1991.49 6464.01 5875 7602.41 9666.84 4401.5 2185.75 6342.23 2381.76 4974.65 2263.45 1709.41 2725.2 2324.21 5639.17 6447.08 1646.81 2377.38 3382.88 1407.95 1618.2 2247.73 4459.72 3920.26 1669.98 5133.8 1757.17 2387.64 21420.83 1965.33 1660.6 4638.63 1967.62 2276.55 1264.78 2254.24 5437.37 5351.85 5910.2 5485.91 6032.86 6319.96 5960.18 5902.36 5985.53 N-benzylpyrimidin-2-amine 484.15 1820.21 663.5 617.79 1910.41 2069.77 981.56 1734.3 2508.7 1079.14 1142.16 721.31 607.64 1102.02 1632.39 819.09 1627.68 859.64 1414.57 2216.97 1652.54 995.82 807.91 862.78 1039.74 1417.02 1379.73 1534.85 2410.95 1006.12 1745.06 1632.63 1638.75 1155.39 1179.86 1871.03 1467.48 1294.14 963.39 903.46 2388.64 1893.31 780.72 1035.27 2162.92 1143.83 2182.64 1308.54 890.02 1481.93 1510.75 1119.89 796.43 1506.54 936.64 1028.09 677.15 773.55 1506.05 1190.75 596.08 1312.4 1250.22 1638.7 830.62 1283.29 1178.91 973.95 800.99 676.36 637.84 1285.04 1109.06 1317.67 935.01 1449.38 1451.05 1523.75 1522.09 1435.06 1568.66 1059.9 1442.47 1452.8 Acetyleugenol 2325.86 2797.44 2650.81 2622.22 3470 1651.76 2606.61 2481.07 2909.57 2167.65 2658.98 2925.29 2619.89 2848.9 3085.75 3603.87 2725.9 2712.86 3066.55 3020.37 3212.67 3328.71 2520.1 2770.64 2948.76 16577.11 2616.59 3174.01 2868.32 2784.52 3475.09 3095.17 1793.36 4324.1 3761.42 7057.85 6246.33 4412.41 4489.67 2903.88 4055.75 5360.29 2646.3 2829.68 4117.72 8069.66 4201.94 4010.56 4933.24 3646.38 5828.79 5163.61 8233.81 8021.12 4230.98 2307.95 3414.96 2961.4 6126.67 4869.7 4894.94 3070.64 5389.56 3158.66 3595.73 9650.17 4147.45 9689.6 4624.46 3209.71 5209.13 6374.51 3852.6 6019.99 5578.11 7011.29 9401.59 7010.27 6829.81 3700.35 6914.94 6148.72 6749.46 9379.62 Karbutilate 4561.88 5074.28 11933.07 11757.37 12419.36 1463.1 921.37 1696.45 11458.87 4339.63 7057.74 2911.85 2661.78 3970.65 4837.8 1100.55 2706.56 3882.16 7000.04 1161.82 13419.26 1495.48 8443.19 9024.73 6283.41 5059.75 2717.96 15120.63 4145.54 5321.81 4825.08 4811.1 6094.53 10571.84 6690.21 2872.94 3885.46 868.43 3917.66 4594.86 5273.74 2285.16 16885.95 5834.96 3867.64 2297.56 3077.02 1757.71 4352.33 1368.09 8523.54 10978.8 7210.5 9429.11 1050.03 9648.65 3585.37 4465.06 5709.87 4487.16 5268.14 3441.72 4815.97 7110.41 12675.6 8975.54 14297.13 826.62 747.28 5446.99 7353.08 6560.06 857.54 15884.87 5200.35 1414.26 2888.33 2326.28 1505.1 3496.17 2843.15 3993.12 3658.06 1120.89 2918.84 3334.02 1383.64 803.98 3624.39 509.5 4487.17 3409.22 1123.84 2040.2 2023.45 926.13 1691.78 2181.52 1703.06 5700.92 5592.49 4313.91 5862.69 5419.91 5513.95 5688.21 5868.52 6720.16 (1S,17S,19S)-9-Hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one 3818.62 4165.12 4473.16 5329.68 6541.07 3528.9 2409.69 774.36 1403.97 2146.71 3470.34 2390.8 3193.21 2674.76 2915.26 2676.82 2962.04 2445.83 3904.2 1418.6 651.27 2542.72 933.55 4082.35 2423.73 2111.57 3303.72 4302.68 3709.99 996.33 1255.37 6356.07 2236.47 5022.38 4707.28 3748.81 2586.93 1565.02 4173.99 3703.8 840.52 2233.62 3204.43 2304.61 1718.57 4472.81 1865.55 2744.8 3640.57 2669.04 3245.56 1665.09 3767.36 4373.82 1076.48 923.28 1816.36 2373.3 911.77 1696.09 2279.94 3712.08 1562.83 3254.07 1764.38 2954.25 734.13 2321.31 1673.18 1880.04 1964.39 1471.62 2618.1 2799.15 3721.1 2195.72 1994.59 2202.46 2251.94 2197.86 1593.3 2200.23 2188.7 1928.73 Acepromazine 15012.84 9330.04 12561.21 15128.27 22673.01 13804.41 7504.39 5590.16 9878.26 10966.55 8248.33 10688.95 12494.03 11863.3 6669.51 19317.1 11486.02 13231.52 19187.79 11586.58 631.98 2773.94 9655.62 16766.61 13696.45 7381.37 10691.52 10889.33 20706.8 7389.34 8635.53 18775.1 2876.89 9192.59 11052.31 16178.96 905.67 755.7 11505.31 10234.52 6482.04 5408.53 15624.42 10694.02 15723.91 13545.18 6185.18 13017.23 9723.48 15278.81 2906.06 18301.43 12794.39 15022.25 4841.6 14091.51 11599.07 9369.72 3996.17 1747.29 11183.54 9606.56 16201.01 13009.3 8667.89 5845.32 1290.92 11129.34 13886.11 5015.25 5385.47 8595.22 6256.97 16862.65 15126.01 9978.16 10836.54 10405.42 10279.17 10847.93 10284.18 10534.67 11092.41 11167.73 Eprotirome 505.99 1296.49 6696.77 426.99 6938.36 8114.55 4063.16 3091.33 3266.08 1582.11 2640.84 2605.92 300.49 3809.19 4156.65 5683.48 770.97 2510.01 2923.58 1175.05 263.17 261.48 2052.55 2711.45 1812.85 483.52 880.17 2273.93 331.86 2166.07 2632.36 2457.13 510.72 1235.62 7092.56 869.62 2059.75 4625.27 7808.42 1569.45 1748 4466.59 2695.47 5740.4 3956.58 2171.88 2273.88 2964.05 4517.43 5395.94 3357.12 3390.81 4345.8 3704.52 2370.09 1258.5 1076.74 874.13 2344.61 3895.98 7502.71 2255.54 3904.82 395.93 791.44 5656.02 890.58 1544.11 855.64 2506.95 637.9 1235.85 5193.32 2217.87 673.42 5589.78 5426.01 5484.14 4977.92 5595.89 5777.17 5827.12 6643.55 5811.05 Propaquizafop 636 770.19 2048.06 1348.41 797.53 672.68 403.92 510.39 991.1 1194.05 2088.05 2223.44 878.44 2022.43 1095.88 3232.58 1841.36 959.82 2176.31 988.66 732.53 724.32 2454.63 1310.58 994.7 917.04 853.71 2352.62 598.26 2265.7 1052.11 1342.3 1385.44 2507.18 2764.83 1044.15 1416.13 655.9 1949.67 2505.07 627.17 467.58 5882.83 3756.16 943.62 1789.58 874.68 3447.57 1131.03 1873.14 1274.2 756.42 1396.93 5367.76 386.82 1262.02 1129.78 635.05 1004.61 1098.46 4200.47 1068.92 1779.27 2402.71 1142.51 652.47 1166.51 5302.9 1043.49 1387.76 511.19 1948.56 2294.73 2367.16 2308.87 1694.16 1629.12 1048.9 1448.41 1983.21 1525.99 1446.91 1468.85 1518.82 Methyl dichloroasterrate 9723.93 10075.57 12235.3 6880.63 11996.53 4601.01 8159.01 14944.64 14901.28 10250.69 2167.54 9490.45 7397.96 11486.31 7955.76 9510.61 7132.36 11941.82 10177.95 10147.2 12239.2 5744.86 8816.09 10491.08 11929.2 12272.43 11610.61 11189.07 11826.7 7634.09 7917.23 8973.93 9428.08 10414.23 7630.49 12294.36 9293.37 2425.67 5807.61 7219.71 6385.87 7394.99 9161.46 8309.63 8264.09 4627.68 12468.9 8964.59 3914.44 7178.22 5119.69 7056.02 5713.23 4352.98 5784.33 5392.53 8867.83 9196.86 9310.07 4161.31 6947.69 6395.35 8343.49 4410.32 9889.48 5098.95 5583.27 9773.67 8108.26 14047.74 7724.78 6516.52 1445.14 4320.98 6922.63 8272.44 8304.12 8537.71 8520.97 8515.5 8819.69 8277.45 8526.25 8308.67 Raseglurant 2880.66 3854.14 3546.22 3444.8 3328.24 2241.92 2836.5 2944.09 2167.44 4785.09 905.57 1778.16 2437.74 2255.89 3404.21 2618.08 2811.77 1985.42 2881.38 2258.69 1903.53 909.04 637.1 5119.69 3827.3 2563 4750.05 2758.91 4706.43 488.09 2196.95 2191.1 1712.15 2496.03 3229.16 3527.73 2436.3 1867.91 3679.69 3364.81 1969.85 4039.63 5219.44 1455.95 2998.77 1754.95 2600.61 4020.59 2256.68 4095.95 1245.18 2715.87 3520.81 2539.3 3274.1 3642.18 2815.52 2682.17 1502.53 1971.65 3070.73 3228.95 3503.25 2501.83 2826.39 2793.57 2333.11 4213.6 4163.42 2586.27 1982.03 3452.12 2825.37 3659.7 4046.46 3469.1 3333.61 3488.66 3655.16 3397.06 3472.98 3035.52 3306.19 3401.5 6,7,8,9-Tetrahydro-dibenzofuran-2-ol 5383.9 2522.35 3334.23 1232.74 1350.81 2714.29 2131.03 2036.53 2077.05 3592.41 924.17 1514.57 2223.5 568.91 1069.56 2935.09 893.13 3844.78 2675.23 13833.4 3044.91 2799.94 973.28 1769.23 12510.07 3424.85 1628.86 2683.96 1741.39 3009.2 2193.92 2997.1 1823.94 1117.19 2141.29 5209.28 2330.35 1082.13 2371.35 874.94 5209.64 3461.57 3052.16 1280.7 3341.83 703.06 4833.44 1383.24 1417.47 2194.28 4315.81 972.94 992.82 994.48 2769.74 2259.25 2943.44 1642.67 3401.76 10430.03 1446.32 1908.5 586.7 2628.18 1359.83 2983.67 2402.07 3906.49 2026.4 2019.15 887.3 3078.64 1506.02 1182.88 2855.47 1778.09 1548.82 1806.04 2033.28 1890.18 2140.23 1784.33 1864.71 1746.29 Gluconasturtiin 8482.62 7481.47 13178.8 8794.63 11699.54 5274.99 8124.99 15093.09 12650.96 9313.69 2857.43 4195.39 6250.67 7513.66 7546.55 8561.91 6964.54 8585.67 10688.03 7822.77 12967.4 4264.39 5192.63 9505.45 11010.45 9898.14 10247.76 12034.29 12883.72 8250.53 9078.95 9912.48 6101.41 9989.59 8774.43 11848.78 9215.85 4942.18 7683.12 7669.87 5962.72 6845.48 10131.94 6444.95 10145.81 4876.57 10646.46 9517.39 5988.94 7615.84 6926.66 7087.32 7981.88 6189.78 7621.47 9045.08 8588.82 6644.58 7021.86 5086.72 7948.67 6604.3 8106.14 7541.64 10612.92 8554.52 9139.16 10575.53 8346.2 10050.12 8939.02 7361.85 3244.12 5478.28 7829.66 8636.63 8367.89 8449.84 8703.28 8258.15 8638.97 9260.38 8636.87 8479.37 (-)-Carbovir 5'-monophosphate 1530.83 1188.71 874.06 760.23 1816.86 903.39 879.61 8026.09 1991.46 1026.78 1170.15 654.29 1046.86 982.39 425.7 928.37 600.95 1481.79 1061.93 1888.85 2088.16 554.38 970.66 963.69 3175.61 1195.85 1150.97 1817.51 3252.31 2502.49 3297.36 436.76 1200.13 535.78 1091.47 3247.25 2403.87 1003.29 535.79 1182.01 3765.71 2547.82 788.93 1287.12 3451.52 994.25 2682.89 795.07 2268.84 1865.56 2087.09 901.36 750.53 714.08 1892.29 398.79 720.71 982.19 913.84 1295.28 1174.91 1862.44 689.47 1069.18 455.43 1694.05 1368.83 3201.45 2118.47 1976.77 950.49 1041.88 1264.59 1379.49 966.79 1142.43 1201.4 1291.89 1149.3 1214.21 1300.97 1288.25 1285.17 1112.76 Telaprevir 901.15 842.5 3337.31 2554.55 5533.87 1629.2 7933 3813.88 4566.06 3235.7 390.6 749.17 445.04 2132.75 542.07 936.96 2081.52 3785.23 3055.34 3068.68 624.08 781.42 2964.9 2077.55 633.05 3348.51 2357.63 394.78 973.72 2284.65 3392.56 2164.41 701.01 3150.22 2574.41 4573.87 4339.18 3300.74 2470.52 2192.61 6494.08 4255.89 2413.45 2011.72 5204.1 3272.3 6481.41 3395.76 3637.33 4221.26 3134.89 2896.26 2548.28 1981.26 3308.28 1766.41 2063.81 1814.88 2958.22 3050.12 3106.13 2301.27 3817.06 2350.66 1604.69 4446.9 4254.8 2123.2 2679.06 2720.39 3189.74 2929.57 1446.57 2908.97 3083.41 3764.07 3899.06 3872.73 3635.03 3913.84 3991.83 4039.44 3983.99 3989.67 1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylurea 372.02 177.76 153.63 98.17 638.94 346.87 351.32 85.39 112.34 149.84 128.23 424.49 135.2 192.83 263.14 250.58 96.34 257.86 234.76 121.48 107.65 193.34 112.93 285.36 273.58 253.03 227.38 279.14 400.71 441.3 1442.63 1162.28 295.59 161.85 265.88 140.91 312.91 190.43 288.23 472.57 1102.06 403.78 143.31 105.11 177.23 752.14 116.36 95.64 102.44 1974.56 750.9 228.32 140.09 158.81 82.3 92.32 352.41 213.65 334.16 184.73 188.61 300.21 247.25 238.34 81.98 104.05 182.01 105.46 354.11 314.26 235.31 85.85 117.81 127.63 92.6 4554.43 7349.71 4927.83 5666.5 4566.62 4526.2 4335.44 3584.25 3896.38 5717.96 4247.28 4919.62 4823.07 3627.01 3734.55 3245.61 4420.41 4000.66 3982.16 7088.19 4554.49 4274.24 4261.25 4220.47 3931.87 1393.2 1389.86 1408.3 1406.2 1417.09 1607.41 1440 1386.12 1437.69 N,N-Dimethyl-2,2-diphenylethylamine 11593.42 8790.18 5798.81 4734.18 6784.74 12985.34 5287.96 3684.33 15857.72 6083.35 8132.72 3110.51 2455.91 6938.64 9190.53 7721.6 6559.91 10324.75 8597.01 12365.6 7961.4 2062.83 5284.52 5731.5 10557.19 13408.36 6917.61 6281.11 9983.21 3725.03 14136.93 2958.54 9427.28 6336.44 7665.91 7612.84 13050.22 11576.81 5432.7 5695.96 5345.34 9949.39 6713.34 5209.26 3450.69 4120.87 9016.05 7308.81 3127.56 5158.07 2610.33 9425.57 3772.74 1466.05 5962.3 7915.34 5436.87 3846.45 11292.07 8077.66 5760.02 4785.96 4474.21 6359.22 7468.03 9976.12 16148.91 5867.91 6437.69 15008.52 8031.96 6117.21 7586.12 7584.5 5625.26 8859.93 9379.46 9382.28 9209.18 9393.37 9232.22 9163.44 9392.76 9395.05 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid 1153.74 1409.22 1301.66 1135.97 2470.03 479.32 2057.04 3016.94 1450.4 1171.95 573.02 712.46 964.23 2389.28 1035.04 1659.8 1411.59 3641.96 2060.79 1836.84 844.14 1109.41 1170.07 960.49 959.27 1874.51 739.61 1034.95 1990.22 930.51 811.02 1353.83 509.11 1227.61 911.51 2132.88 2875.62 1264.11 625.41 550.4 712.98 1323.44 2133.04 1281.03 1772.57 781.23 1105.9 1565.86 571.32 1346.92 669.45 1209.32 1124.43 551.07 871.71 1841.92 1535.14 936.36 1261.58 960.5 857.76 532.36 1207.08 1536.76 1143.64 966.08 1737.13 1104.88 1625.36 762.75 1357.85 1276.47 1080.37 1352.39 960.07 1265.73 1143.41 1168.48 1217.71 1268.37 1291.89 1136.57 1196.35 1270.37 1-Propanesulfonic acid, 3-[[(dimethylamino)thioxomethyl]thio]- 5610.39 4164.1 4004.72 6579.39 1118.37 3050.21 1018.78 4076.87 2447.67 2728.21 2885.24 1715.99 953.45 2061.04 6073.07 1135.37 1012.65 6332.7 7213.07 2894.42 1673.05 497.05 2548.89 7661.17 5569.78 4549.35 6001.99 5708.95 8364.24 2681.6 1185.56 4630.19 4224.86 4300.68 4932.67 5533.61 7055.63 4154.72 3924.99 6662.33 1717.81 4654.48 3126.51 1658.08 6131.94 1258.17 7213.48 4034.51 1731.98 3010.25 3858.21 2112.42 3211.53 4790.59 1894.07 1660.06 1173.39 2295.82 2481.78 497.8 2215.89 557.44 4982.41 5142.67 5557.19 2302.91 3321.82 864.28 1085.86 6249.23 5366.9 2030.28 4261.03 4486.69 2081.59 3299.14 3042.28 3479.86 3181.12 3179.05 3292.24 3490.74 3278.15 3176.76 Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- 307.46 408.01 285.49 378.85 458.02 1103.72 1073.01 746.15 484.4 531.15 510.24 551.63 456.86 993.69 378.63 567.86 376.07 289.88 676.11 339.96 613.21 477.89 620.55 216.17 346.16 413.73 417.12 595.86 545.24 526.82 703.58 846.48 377.68 1030.08 1923.18 912.2 1153.04 1419.38 609.84 449.19 877.38 1500.15 3589.42 2518.17 2679.87 875.29 3481.71 2036.32 923.81 226.11 432.57 1138.72 861.55 332.52 1275.64 3058.76 1199.04 1983.88 1408.6 1070.22 794.68 1346.98 1125.74 2393.7 1472.35 1380.71 1529.44 666.13 1083.72 1240.8 462.15 550.39 1288.51 645.86 699.55 1873.17 1404.68 2238.42 1832.04 817.26 1546.96 1637.25 1827.23 1830.21 Niaprazine 642.98 2194.74 1908.55 2023.31 5504.7 2342.63 2865.25 7966.92 8081.81 2873.82 1295.48 2579.22 1187.91 1373.59 8452.74 2685 2527.58 5352.63 5122.16 6646.02 1156.74 1339.92 476.97 1148.27 6415.83 8194.35 4066.51 1997.75 5796.32 878.16 960.98 3229.41 4826.41 1652.53 3222.25 4353.98 4772.14 2326.25 1079.72 4933.57 1062.62 1457.23 4717.67 476.95 1159.14 3218.47 3963.36 2897 1641.71 1577.18 3489.39 510.51 2844.1 4273.67 2799.35 1751.39 1770.43 3865.48 3962.49 4471.78 1950.16 1361.53 3024.43 4831.89 6206.95 1615.59 1348.93 899.38 1340.02 5665.64 5608.28 396.67 2299 5309.61 1369.44 3288.34 3367.56 3460.49 3284.24 3156.8 3422.68 3429.99 3305.5 2705.74 Carboxyaminoimidazole ribotide 3738.24 6396.28 7495.92 3611.07 2287.38 1444.58 1371.43 2584.7 2879.17 3737.73 4578.97 4236.01 13549.44 2920.21 1660.68 7414.25 3914.31 1677.53 4016.78 900.1 5767.83 809.41 4291.49 3761.49 4614.68 3300.43 5533.75 4646.15 4182.07 4883.84 3464.2 2904.27 1699.85 5990.2 1985.64 8700.97 2236.77 1865.53 4468.62 7292.51 2747.13 2374.79 2613.02 2304.08 1524.51 929.9 1629.26 4392.4 1010.85 6959.87 2179.63 1666.08 1128.58 3330.45 6050.26 2985.53 4994.58 3541.23 833.41 871.15 3991.8 5236.9 989.99 1166.17 4599.86 4599.69 1306.99 3917.11 6943.02 2908.7 1105.31 1523.05 6201.68 2228.42 1038.19 2456.49 3029.92 2476.98 2622.92 2595.78 2400.98 2722.22 2667.52 1491.73 (Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione 1756.66 7545.21 413.64 1784.51 1889.44 1268.44 880.64 770.81 3759.26 2334.87 632.25 1704.5 565.41 1528.41 8412.95 4222.45 4382.41 5124 4004.29 6748.21 1334.11 1015.4 1795.08 2804.31 1940.39 5087.43 3390.25 1017.66 3482.58 3009.78 1284.72 2792.17 5624.12 957.37 2361.01 2314.3 8645.21 1951.21 2175.5 3302.99 767.32 2649.85 2905.85 987.38 2724.48 1515.99 6924.14 4476.63 553.5 1409.5 367.73 1370.42 839.32 1526.49 1001.94 5074.01 2536.2 3996.91 5852.64 2479.67 2327.15 933.58 4756.6 4358.18 5260.46 577.27 3420.99 1160.57 4696.68 8477.27 6741.42 2545.31 1991.56 2537.14 1781.79 3493.58 3830.13 3935.35 3824.58 3826.42 4203.79 3828.16 3940.98 3934.58 Prothiofos 172128.51 108040.16 157865.75 106191.89 89553.04 128569.67 139390.07 184757.85 150883.3 211745.88 188836.28 121851.11 121210.87 170950.98 121035.86 176945.95 182610 167116.76 156218.21 134557.36 185632.74 126762.08 151379.63 126651.98 183138.7 115281.57 202542.33 207664.37 143274.48 182529.27 80511.87 113546.39 157235.69 155292.75 130504.96 145463.7 154151.32 120282.57 172350.87 155670.81 135539.89 146336.37 144536.34 112813.84 136071.04 111038.04 148822.54 140308.02 100028.78 105938.4 126987.25 91133.43 181868.32 133944.03 147322.7 127104.31 169305.61 186763.48 178657.08 156132.89 185254.8 94764.55 178410.86 122930.01 119778.83 131587.96 71278.69 135617.04 161491.74 127636.83 136060.39 151397.23 131144.83 119650.73 127677.87 124004.44 127919.76 137246.91 122768.51 130226.94 127880.24 130916.44 124747.8 123912.1 1H-Benzimidazole, 1,2-dimethyl-5-(trifluoromethyl)- 1032.19 3230.21 3290.18 2708.68 1411.54 1700.65 2004.36 1380.02 776.35 572.56 2584.71 2112.33 1840.74 4036.36 2479.42 2166.15 4835.03 527.69 1176.39 2080.99 2609.96 1744.03 2043.96 5310.92 2139.65 935.5 2004.68 514.9 771.45 1337.11 1267.87 713.51 1578.4 597.9 1791 438.37 992.33 1891.38 4190.4 1538.32 554.09 639.67 3662.78 3738.82 603.1 2051.63 715.11 1750.94 1034.99 722.82 2428.23 1388.19 643.04 1273.97 4660 2348.61 3674.78 3011.98 609.72 2542.24 3996.9 2274.82 3391.73 1688.11 1258.15 3849.03 1928.74 1657.96 3420.07 1355.9 2425.94 2331.91 2496.7 1764.19 2900.48 2576.49 2388.36 2328.91 2316.6 2396.54 2407.7 2362.2 2289.64 2278.16 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol 3459.66 6488.15 4965.58 6612.05 6445.29 7611.48 7727.12 5100.81 3458.08 6689.32 4225.02 6028.55 7669.31 6742.56 6860.98 5908.24 5853.15 5197.39 9946.99 3128.33 2201.29 6376.83 5556.59 7687.67 5740.74 3090.45 7353.77 5992.16 7621.53 910.11 3694.32 6974.33 5475.87 6238.86 7437.01 6624.04 4685.34 5368.44 7212.22 6857.37 3707.34 5740.89 8900.29 6646.77 5595.19 6003.37 5634.28 9923.44 6667.28 6481.76 4540.23 6395.16 6999.62 7151.29 4667.15 5953.57 3594.25 4450.03 4901.34 4634.55 7673.97 8515.95 4423.86 5820.29 4763.22 7252.66 3926.64 7257.98 6696.13 4818.01 4584.44 7419.06 4537.56 7512.91 7313.62 6525.23 6269.66 6382.98 6222.31 6382.1 6273.73 6133.15 6280.12 6413.68 2-Butoxyethyl 2,4-dichlorophenoxyacetate 1758.92 3957.72 1921.31 2483.23 2490.56 3088.42 2348.49 740.48 1611.12 2018.63 910.02 1563.87 3132.32 1926.12 2928.87 1356.46 1836.64 2593.61 7443.09 1727.27 1689.57 2397.36 1503.73 1450.85 844.8 4612.39 2451.87 2587.73 1229.79 1663.93 1566.06 2917.53 2764.59 1500.95 2928.77 1549.94 1354.38 1237.19 1812.68 2888.92 1822.98 1814.94 2888.8 3721.42 1704.8 1713.97 1992.18 3342.61 857.32 1101.37 1571.94 705.56 3624.42 3285.27 1261.4 3129.97 1732.28 2838.3 2451.04 1494.04 1895.2 2308.42 884.59 1433.33 1348.29 806.28 2963.57 4307.73 1036.92 914.28 2159.75 925.37 1498.55 1259.16 3731.36 1346.01 1250.21 1345.2 1350.08 1278.1 1250.79 1241.62 1342.17 1375.91 tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate 1289.84 920.79 1388.48 4534.08 731.9 2566.55 5195.64 11971.63 7897.1 5118.84 2365.43 2179.84 1572.73 655.32 2018.01 8259.71 1015.33 770.58 971.19 10441.5 3472.81 19404.1 3466.96 657.21 3613.65 5561.56 6543.03 2552.73 4020 3278.94 3127.51 2282.35 2091.91 849.19 7784.78 5781.98 1288.99 2796.98 4507.74 9318.71 2197.75 5724.66 8514.02 4328.84 452.48 2679.62 3474.54 1987.55 3246.87 5662.8 3608.15 2599.97 5861.74 9686.97 5332.64 2777.97 5092.44 923.75 4019.66 3657.55 2539.47 2888.46 5102.19 8526.13 4133.92 2215.36 783.27 557.13 3389.21 1054.86 6704.49 2677.38 5034.22 3714.84 2082.29 3447.9 3481.08 1888.8 3437.55 3724.03 4600.35 3726.07 3684.49 3534.57 Abacavir 3412.72 2593.75 1582.71 547.34 1558.91 1346.37 4787.13 2106.89 811.08 895.47 1117.38 3152.31 5172.95 789.18 844.63 4031.53 3322.22 580.96 1558.67 11308.93 2550.94 2268.55 2353.95 1061.31 2042.05 1535.78 1037.56 1188.86 1754.69 2638.78 8996.45 3620 875.35 3633.17 2459.97 6061.75 2120.07 3131.32 1120.17 2539.08 7144.58 2862.91 2073.43 2105.58 2807.88 2874.11 6737.53 4303.81 2632.37 6931.76 3780.51 2639.85 4719.35 785.38 1029.79 4365.61 686.87 466.61 2035.65 5759.82 1421.83 2618.9 846.37 1937.91 2145.6 2667.4 3723.39 1761.24 3158.75 2058.44 1624.62 3807.84 824.69 2639.95 2359.12 4771.09 4302.89 4234.68 4307.65 4428.28 4722.64 4040.03 3997.52 4220.43 Z-Gly-Pro-Leu-Gly-Pro 1819.9 2830.35 3605.46 3169.47 5507.23 11232.87 3821.5 3680.95 1792.12 3060.97 400.61 3026.43 5856.25 2705.17 1135.81 3740.9 1510.36 6175.39 1893.19 7321.21 1044.53 4529.3 2712.07 2835.88 4008.75 4048.11 817.66 1012.7 3927.98 1039.19 2938.59 823.35 936.99 3460.24 2898.03 4143.54 2578.81 2045.84 1553.57 2007.45 3953.82 6124.43 6679.1 1193.35 7219.78 1354.98 2701.1 1506.41 580.69 8705.94 2476.26 5945.37 883.05 720.84 6182.41 5508.52 688.86 1587.82 947.3 3493.48 1574.46 2446.6 920.71 3381.92 2312.38 4020.76 1237.42 2407.61 2451.61 2492.9 2555.28 2399.63 2665.39 3099.75 3246.85 3557.46 3790.05 3634.08 3637.61 3984.45 3673.94 3880.15 925.35 3624.06 8-Methyl-2-(trifluoromethyl)quinolin-4-ol 2418.95 3402.69 1945.62 2183.37 3251.37 2079.08 3972.26 2777.34 2115.76 3734.63 2243.43 3790.26 3145.9 3519.1 4379.84 3843.84 1522.01 2730.37 4350.24 507.07 1564.7 3579.51 2614.41 4198.72 3265.37 2319.22 3501.16 2454.87 4097.37 2204.57 820.36 3839.38 3650.22 2745.81 2481.69 3365.75 2591.71 2789.79 1917.34 3362.23 923.77 2885.16 3637.87 2032.42 3787.43 602.35 3955.08 3801.41 1979.67 3507.59 1418.89 2445.14 2340.26 1810.38 2476.07 3188.91 2831.58 2894.29 2664.62 2796.38 3415.38 3429.17 1430.2 2607.11 2647.84 2586.63 1752 3546.14 3093.09 1515.66 1250.45 2378.71 1867.44 3259.2 2145.51 2479.66 2824.57 2921.11 3044.71 2927.5 3295.06 2964.52 3136.26 3054.13 N-(1-Deoxy-1-fructosyl)phenylalanine 672.23 31487.84 4999.32 1930.36 4257.33 16265.59 9685.09 2039.05 2607.54 12179.02 810.42 4963.93 4686.32 969.51 1139.47 3255.09 7126.33 3253.25 985.47 674.27 1571.92 2820 9318.13 6375.39 5081.88 3151.78 5069.19 1200.04 6462.03 5184.75 1871.45 2980.38 6081.25 14483.13 8008.27 2672.77 927.98 2024.1 2694.08 5723.05 1107.56 1604.74 6167.61 3411.77 4713.87 3017.55 4907.6 6956.73 2041.21 3250.63 1851.66 36330.2 7637.25 8345.12 4860.81 13404.94 4023.86 4739.04 999.45 869.31 6784.22 22494.97 2213.39 5571.91 3945.23 5458.35 1489.11 5979.44 1462.7 2698.59 491.19 21695.39 5081.66 13099.19 3084.55 7021.61 6785.7 7120.8 8109.85 6798.36 6829.65 7412.59 7032.17 6780.41 New fuchsin free base 923.62 3268.72 2559.3 1547.2 6292.59 1765.97 1078.98 7350.59 6397.44 3611.35 1151.54 1821.6 755.81 2183.23 8265.2 971.85 1259.93 5108.96 2749.77 6418.69 1340.07 1624.56 695.33 2382.55 6251.32 7391.29 2752.69 1844.96 5905.98 1053.25 2110.48 1108.17 4452.8 2202.43 2766.33 5418.41 3979.96 1763.1 782.8 3934.76 1857.5 1737.9 4747.81 486.86 2324.31 2152.78 3782.69 2152.75 1860.96 2572.22 2650.24 954.76 2984.52 3709.88 2722.28 893.58 1679.65 3518.04 4132.18 2656.96 900.43 1131.73 4112.97 6255.31 6075.61 3563 2524.54 668.34 1576.34 4143.95 5867.51 1098.69 2561.09 7972.26 1196.04 3137.36 3378.28 3337.06 3386.45 3343.97 3317.52 3413 3435.81 3482.37 7-Fluoro-4-methyl-3,4-dihydro-1H-benzo[E][1,4]diazepine-2,5-dione 956.87 4921.65 5592.37 6200.44 993.38 5157.65 5448.35 1474.16 966.89 1626.47 3952.96 1189.54 1489.61 3729.45 4319.7 4975.54 4797.3 1322.96 2169.46 703.88 1777.78 3331.44 2274.41 5779.87 1109.03 1289.63 3011.92 1068.02 1419.16 3489.38 1324.34 4697.44 971.24 3298.36 1406.5 1287.37 1782.16 1436.01 3915.49 495.37 966.89 701.19 4051.48 6088.89 1604.21 4033.41 1695.58 1713.51 550.58 885.71 1109.61 2670.61 2301.24 507.07 5035.95 3591.89 8728.92 4040.26 527.8 3397.62 5177.95 1005.41 5487.81 1688.91 927.12 4223.65 3962.28 3100.05 4874.85 1299.25 3580.41 3514.08 1677.58 1219.58 6713.32 2641.06 2667.59 2702.24 2702.97 2625.06 2617.05 2701.6 2438.68 2681.33 1-(4-Fluorobenzoyl)piperazine 4282.73 7178.72 6383.55 6202.9 7674.66 9467.64 1660.06 2647.83 3705.87 1979.16 4758.08 3526.41 8485.92 5554.47 7023.49 8178.99 5364.54 5201.55 7880.53 4159.26 4040.76 5312.29 4994.3 5811.5 5711.82 8052.96 6712.29 5364.05 8557.28 4540.35 4693.04 7184.45 2001.92 6077.96 6528.14 5282.9 3460.04 5661.83 6511.92 4592.47 10663.71 7303.86 6212.95 5239.35 6021.54 8420.26 4964.9 4336.65 10584.09 9572.27 10652.33 6193.68 5052.2 7894.38 5118.98 6802.59 4584 7443.81 5074.06 7717.77 5705.69 6202.41 5201.19 6524.2 4571.92 7344.88 4347.23 7285.03 6122.39 5577.13 5586.39 6073.68 4930.87 6491 7055.83 7813.62 8162.77 8944.12 7849.39 8245.5 8270.25 7843.97 7517.05 8278.64 Losartan potassium 915.61 1128.47 1161 951.62 934.26 556.83 2142.08 927.26 1254.23 1954.37 624.64 633.44 1302.33 997.25 973.13 952.64 686.08 1329.91 1051.33 866.41 666.25 1968.66 1265.74 1218.99 790.25 730.28 906.22 456.33 2059.88 5733.42 656.83 1415.31 702 719.45 416.29 845.91 1846.72 1936.6 1676.79 1525.95 640.52 1230 608.54 466.51 2625.22 4082.86 1024.16 2476.97 855.57 2211.85 415.96 942.68 1251.72 2215.98 1131.86 1316.99 1129.05 1635.39 1028.24 1504.8 1170.61 1479.61 1126.33 1663.66 1035.57 1608.67 1472.72 1563.99 1436.4 3728.25 2538.41 1219.88 745.36 417.61 1087.72 1213.66 1319.24 1355.75 1479.91 1323.84 1428.2 1359.88 1204.09 1560.46 3,5-Dibromo-n-[4-chloro-3-(4-chlorobenzoyl)phenyl]-2-hydroxybenzamide 14053.29 10190.6 22440.28 15530.01 12413.73 5831.11 3961.82 9177.88 3112.9 4225.09 19195.72 13584.17 9407.39 3040.43 3572.59 3260.75 3482.56 3814.48 10674.02 3735.24 12165.72 7160.27 7470.92 18442.97 10323.9 11589.79 9248.66 8507.51 13550.36 9284.34 12502.37 7338.72 8270.22 12393.79 9579.48 8985.25 9089.97 11589.87 10632.08 10570.81 9044.54 15606.83 10573.17 11027.83 14535.44 10532.06 13879.55 8620.9 8608.52 10961.3 8425.78 3843.01 1493.64 6875.32 1882.29 3916.52 1717.63 2720.47 3195.95 1580.35 2978.77 2857.51 2098.97 2410.12 3045.26 2392.35 3255.36 2373.98 4481.96 4301.12 3846.2 2149.5 9208.56 81066.61 3374.3 2485.35 2539.68 2452.08 2553.43 2418.06 2929.37 2361.5 2547.75 2404.91 Periciazine 1387.69 1138.77 3279.95 1088.8 574.71 1796.24 1938.3 886.92 1789.68 3725.9 1705.79 2144.12 2019.82 2715.08 1585.44 2476.91 2718.5 1477.81 2698.11 2371.06 1770.76 732.47 2591.93 2558.88 1105.7 1966.03 3362.54 2075.31 2270.62 1501.82 1762.27 5276.26 1539.18 3426.96 4295.07 821.22 877.77 1304.5 2881.26 1333.57 1784.79 2259.42 3509.64 2561.9 1440.17 1764.67 1608.22 2531.84 1400.73 3202.23 2394.59 1744.86 2113.21 3324.86 1205.89 1149.84 1983.87 823.29 630.6 2501.66 1964.38 2625.4 837.48 4293.67 1559.52 3070.76 1652.96 1366.2 2326.42 2279.52 1913.44 3920.18 3278.94 4092.02 3164.78 2360.56 2128.48 2216.56 2134.45 2357.82 2416.83 2361.15 2401.51 2136.8 Lichenin 6595.12 11046.71 12752.44 11444.69 13182.16 8289.97 5677.23 7422.16 13438.11 9933.7 7592.39 8905.57 2925.53 7588.51 11290.34 14832.24 15168.16 12896.58 11340.16 13951.26 15536.39 7555.79 7794.3 12596.5 11003.57 10879.07 13202.87 11292.72 14164.45 9502.06 14992.88 7780.5 4684.5 9163.22 11843.46 10977.57 10059.08 10802.94 8781.19 15554.4 7961.4 5828.71 13521.22 10963.53 9272.48 11031.15 14521.25 7341.61 6797.01 7696.4 9308.82 9269.43 13484.37 11796.01 9650.48 7018.48 9866.44 17062.93 9323.85 11201.76 7992.67 9184.93 7858.06 20452.32 18021.26 10001.07 15718.57 13191.48 9862.56 11930.72 3999.9 11672.04 15265.99 15844.72 9571.26 10162.87 10738.8 10002.07 9528.89 10389.51 10010.99 10015.83 10005.91 9992.98 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide 832.38 699.49 7812.85 3633.44 1572.03 2131.39 674.53 1737.85 2447.71 4092.85 2573.45 1978.43 2000.83 2345.7 1640.18 3228.15 2297.86 550.93 1497.01 1458.63 1497.24 699.04 1270.58 1697.88 443.47 3771.52 1090.66 1417.52 663.78 1856.32 1694.02 3242.17 1379.7 2593.21 1067.6 406.35 1749.19 1822.4 2603.71 1763.34 1578 1035.31 1513.04 1514.75 2119.59 2790.09 1162.14 317.76 1322.1 1313.13 2500.49 2082.21 2237.19 3381.93 2145.75 3851.1 20299.71 10525.35 2710.01 5880.28 811.43 2077.99 3912.51 3089.97 1961.47 3272.1 738.86 1335.7 3202.66 2193.46 2253.67 1789.06 761.34 2653.89 2042.37 3220.5 3632.75 3528.93 4064.83 3358.42 2924.01 3370.37 3668.72 3721.1 Hovenidulcioside B2 3015.86 2830.4 1378.91 1651.27 1219.19 7317.89 622.49 4060.78 4628.78 3079.63 1625.21 5355.24 2782.4 3640.58 2018.8 2942.73 1829.56 4520.3 2837.53 4969.87 5059.99 2462.69 2450.84 1995.36 3835.12 3699.95 2149.74 2583.52 9740.05 4535.02 4412.82 4084.47 2049.2 917.89 1983.49 7947.66 4421.25 1386.13 2002.81 1943.89 6003.61 6089.1 2697.61 1749.78 4946.24 867.66 10957.14 4326.89 4340.51 7280.01 3647.19 2136.06 1731.32 2114.41 2770.71 1395.51 1462.4 1277.7 3195.57 2891.22 979.09 1006.87 679.62 2618.16 1365.43 3307.54 3748.76 1156.59 2017.46 2973.55 3591.39 2804.85 801.1 2379.98 3427.65 3249.57 4834.7 2797.87 2351.68 2808.99 3714.82 2925.79 3918.88 891.28 1081.21 2106.9 4741.62 2522.36 3833.09 3127.22 2699.48 2789.17 2894.78 570.2 638.08 3400.07 3291.43 3400.84 3399.43 3489.43 2886.55 3406.98 3302.46 3386.49 N-cyclohexyl[1]benzofuro[3,2-d]pyrimidin-4-amine 2660.02 7917.65 317.39 5019.89 1124.99 67705.41 1212.92 899.3 345.37 1936.8 3237.35 620.91 8953.86 847.04 9209.82 889.79 3294.43 6664.32 2723.8 19633.68 9643.27 36337.18 299.19 5178.36 3197.65 21481.13 4235.93 3172.86 16002.14 2764.81 3971.74 1152.85 5800.02 1510.5 1145.62 1530.75 5087.29 15049.52 332.56 597.49 9825.23 2994.27 5348.03 463.29 2060.3 8978.83 5036.89 4295.5 5630.49 4117.87 893.28 4681.4 371.18 3734.07 4316.9 9924.48 1376.62 2833.49 2883.75 26314.79 5291.41 5868.79 5668.89 3464.23 1766.54 4146.06 7544.52 422.69 3545.1 5389.9 11944.58 7224.59 488.93 6878.22 4259.7 7475.66 7616.36 7465.63 7480.4 7624.71 7622.15 7622.58 7623.63 7448.75 (8E,15E)-1,8,15-Heptadecatriene-11,13-diyne 2537.01 10951.71 5499.16 12298.17 4972.6 2212.62 6271.68 5646.46 7133.16 5081.17 6299.59 4258.94 9252.63 13549.16 11656.53 7146.71 8164.52 12186.82 8584.28 12683.59 6523.86 881.02 4370.79 7621.21 8200.83 3297.44 10761.3 3511.94 8545.25 2761.1 4521.77 12523 4250.57 6230.57 11090.83 8611.79 8378.81 2497.43 8421.77 7844.05 6007.63 4914.77 8899.94 4872.76 7747.01 4552.54 10139.68 15171.59 4838.46 6924.38 5101.04 9007.58 5821.99 9932.76 10448.6 15578.44 17418.72 16798.42 3982.01 4735.67 9109.63 6252.36 10368.34 9940.2 8553.48 8926.02 2484.65 10778.1 12423.29 8407.93 5373.61 8004.54 2206.27 9582.11 9306.82 8748.44 8798.21 9362.32 9231.15 9566.24 9541.14 8731.04 9535.58 10345.52 2-(1h-Tetrazol-5-yl)aniline 1210.34 805.55 977.85 1692.16 1808.26 1197.77 2525.28 1890.56 1756.75 1847.34 2352.74 2527.08 1712.93 1032.41 1796.71 2769.35 1335.76 1393.01 3161.41 2342.22 1333.74 698.2 1605.62 1551.55 922.93 1041.39 2143.21 2119.07 1560.43 800.29 1416.56 3999.2 733.39 714.51 1955.3 764.02 1059.48 654.33 1974.49 899.64 1829.19 2635.69 2060.05 1472.72 626.41 1324.31 1604.8 2501.3 919.61 2262.26 771.9 795.77 1848.84 2319.73 512.48 515.59 823.63 747.65 862.62 905.76 1065.61 1207.54 799.84 1931.42 1104.58 886.91 725.09 2319.93 1763.67 1008.12 1033.11 1731.43 2178.01 1961.57 2341.65 1482.68 1469.11 1576.01 1587.18 1465.18 1489.27 1535.65 1578.58 1423.24 2-[(4-Phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid 4862.77 4585.02 5146.46 3916.69 5494.04 3944.73 4249.28 6625.82 5842.06 4595.71 2162.17 3863.06 2615.05 4678.79 4463.85 4918.65 4458.2 5126.96 5617.1 4436.67 4875.38 2819.55 3682.94 4027.75 5431.05 5364.48 3693.17 4900.29 5470.21 4443.58 3943.89 5309.37 3162.62 4646 4640.74 6189.9 5606.52 3493.69 4480.24 4865.65 3796.26 4198.16 4889.59 4580.42 5239.94 3310.34 5250.22 4843.81 4454.99 4119.59 2194.03 2935.83 4436.68 3921.38 4163.05 3818.57 4983.75 4258.58 4751.7 3199.78 3575.24 3648.8 4768.98 4424.28 4524.51 4339.32 4287.44 5044.73 5064.44 5317.2 4385.41 4069.68 2601.06 3284.02 4349.06 4346.93 4467.74 4403.79 4335.54 4416.56 4286.74 4322.89 4513.65 4339.17 Dihydroevocarpine 2073.38 2476.16 2808.65 3416.02 741.66 2327.06 2563.38 837.77 2801.92 2872.67 2642.58 2582.7 3057.97 2135.68 3256.25 3078.11 2799.19 3230.75 2543.24 2972.53 1540.39 2862.79 1048.24 2438.86 2491.08 3136.31 2618.53 2538.32 1771.07 2683.67 758.93 2200.13 1392.44 2646.45 2884.98 1253.79 2171.6 3609.65 2909.48 4189.82 3343.87 2710.37 2478.14 3104.68 1985.64 2539.51 3335.76 2302.97 2450.49 4169.19 2891.59 4124.45 3122.07 3573.77 2525.8 2279.3 3178.67 3197.97 4062.45 3622.58 3525.58 3398.18 2265.51 3141.17 3409.99 2484.8 3200.8 2930.74 3036.39 3130.63 2567.31 3098.97 3452.15 3507.73 1719.81 2542.6 2575.83 2866.96 2527.61 2651.9 2049.02 2511.83 2660.49 2667.7 Piperacillin 658.37 1453.55 837.51 1956.34 2014.28 757.71 921.29 1390.15 510.16 1778.08 1053.12 950.48 1487.37 1020.58 1533.36 983.88 819 1256.73 1487.77 1181.8 3368.37 1275.19 1692.5 493.4 368.34 686 1521.85 1215.86 1181.56 1376.41 898.76 1144.1 4203.75 341.84 1443.67 1587.88 838.83 2354.37 1785.07 1088.79 2149.5 1801.08 521.01 867.71 1720.44 1012.61 1517.04 1400.85 2150.03 434.93 2819.76 3128.01 1033.1 2163.9 3253.04 1606.45 851.12 824.72 1993.43 3094.12 2176.01 602.89 2539.96 1738.27 1585.62 566.72 455.01 1896.31 1689.84 2184.33 1821.16 430.13 2342.68 2111.1 1986.51 1761.98 1989.84 1846.06 2308.05 1264.55 1844.62 2000.94 2151.55 2089.98 Benzonatate 914.85 2013.16 587.68 412.1 596.3 6115.48 53758.16 899.33 746.91 2621.43 2762.1 2492.34 2531.38 2372.87 1257.55 3534.96 2843.3 436.61 1967.52 2663.84 1053.14 23857.82 1037.14 2243.66 1854.32 957.83 1572.25 1749.33 1059.53 2009.84 596.46 1956.59 983.42 15054.83 3874.55 2430 3355.79 1813.08 649.54 441.76 2204.14 1985.2 1848.42 1498.22 628.34 588.86 880.24 2299.75 1662.58 2105.74 471.12 937.62 940.79 791.82 1303.95 888.18 2731.65 659.13 387.04 1913.56 1192.4 3669.21 539.66 3654.92 1146.16 753.03 1301.32 3583.67 4519.24 1687.33 957.63 1483.44 2179.03 686.44 10714.6 2059.51 1631.01 2285.71 2336.99 2316.25 2382.42 1700.38 2482.56 1887.36 5-[(chloroacetyl)amino]-4-cyano-N,N,3-trimethylthiophene-2-carboxamide 209124.32 212223.8 268827.1 199494.86 248052.97 91483.9 140358.29 280095.26 294637.74 239051.04 47263.88 174231.57 239417.32 223027.83 215863.68 211469.14 166874.51 225926.74 271981.64 192399.51 218503.05 117770.12 190771.12 214897.28 269230.22 249886.21 206935.76 253652.6 294757.91 158402.33 177059.24 222659.34 184670.72 257976 188016.45 297014.38 219459.66 59488.1 182657.49 155112.7 129033.03 169071.84 193914.72 163492.45 222642.34 111102.22 255295.49 216983.09 106060.92 156150.98 118837.09 151681.98 185814.78 116316.33 122997.4 206916.03 181604.84 155482.74 186669.59 73477.59 162300.92 160113.74 158881.42 163144.2 204221.28 179995.09 144728.43 248631.39 199249.14 249669.11 164756.45 149146.54 70675.94 97942.49 159651.17 176100.74 175225.51 177052.38 176657.34 176101.77 176091.69 174545.01 179494.38 177183.08 1-(4-Methylbenzenesulfonyl)-4-(3-nitropyridin-2-yl)piperazine 1440.55 2498.74 398.61 811.97 587.86 1264.32 637.05 2252.38 1063.58 1933.44 895.53 740.99 712.04 1309.23 588.11 1017.02 680.53 737.54 857.92 601.53 640.66 554.84 678.7 888.54 2237.54 1311.1 1501.92 971.85 2338.7 943.89 2564.05 495.37 993.94 874.03 416.65 2318.1 4277.11 941.92 1235.65 1067.3 2774.3 849.72 638.26 896.65 2482.49 657.95 2090.15 547.97 1913.33 556.5 1103.96 432.82 547.55 737.98 610.6 708.24 886.26 413.52 967.77 969.92 429.9 672.15 745.55 1403.01 679.87 1292.84 1211.64 992.73 2197.54 1680.74 3754.5 976.03 1849.4 697.17 645.79 1271.75 1210.92 1232.82 963.57 1114.11 1102.47 873.35 1216.89 1511.57 4-(2-Hydroxyethyl)piperazin-2-one 7716.74 12011.97 24655.04 22098.83 18679.8 14737.46 18473.62 12318.35 17127.72 8714.76 12597.34 9009.42 8516.6 8434.99 8839.3 12881.86 9393.12 8829.54 11667.88 18326.52 18226.64 10930.1 12465.65 14339.14 6159.38 10346.7 6884.55 10124.28 14913.99 15112.15 14032.21 15220.9 9473.79 15383.82 21937.2 8002.65 6889.85 15935.57 11139.48 10000.3 10920.73 8126.29 17193.86 8494.19 7665.89 11379.66 12463.53 9430.99 9178.12 12774.19 7375.18 10714.49 10381.71 15725.4 5673.99 10786.24 9233.51 15233.88 9416.99 11944.59 11319.21 8623.23 11937.25 31425.06 13131.98 6541.49 12892.84 7123.96 8102.62 11470.02 11897.73 12427.62 13423.17 21793.29 15334.2 12711.37 12786.47 12406.61 12755.82 13005.9 12738.29 13020.9 13192.82 12850.79 3-Chloro-4-fluorobenzylamine 1068.71 1093.25 1325.8 1710.21 790.95 2212.31 1298.29 1069.95 1227.37 1246.57 1094.69 791.29 381.97 1326.11 880.19 1007.23 418.35 625.7 738.16 1106.76 1038.47 1425.66 1302.87 831.04 1046.25 522.86 899.34 646.52 1164.69 842.2 751.49 1917.92 569.38 1251.9 1580.72 543.34 1087.4 1020.83 986.31 1369.1 2000.16 548.17 1922.94 1655.99 864.5 1440.4 414.44 903.92 596.26 629.86 1309.49 1374.92 1434.93 1518.3 1403.82 461.36 1550.52 1594.51 412.38 1181.47 937.85 1148.36 786.57 1437.33 1058.23 582.41 1052.86 1096.9 1247.33 1033.79 532.3 636.28 1456.59 1820.09 1531.24 1453.45 1469.6 1447.24 1431.01 1522.15 1419.25 1498.94 1684.45 1343.59 3-O-beta-D-Glucopyranosylandrographolide 2180.76 1411.7 1642.43 2630.36 5867.9 1342.31 8499.19 2554.53 1905.22 2513.18 3036.82 1707.7 3208.26 1020.05 1287.23 2047.15 3955.31 1718.9 835.33 1648.5 461.19 1117 633.88 6122.53 2650.14 2651.56 5240.95 1957.9 2290.57 1744.17 1134.14 1286.9 1893.01 4577.93 3033 1153.75 1804.23 2281.33 3660.25 5287.94 764.98 1316.72 1920.72 4195.64 2565.36 7504.69 1646.09 3534.42 2553.24 1240.05 3660.26 2681.86 6736.09 5827.86 4409.5 7014.85 5695.67 6870.58 2630.92 1979.42 4322.56 8445.96 6721.58 2760.52 2176.11 5089.55 487.62 3179.18 2061.43 725.51 3546.57 3806.17 3418.45 5442.47 2840.99 3473.53 3548.73 3276.87 4091.37 3597.98 3550.47 3538.91 3328.03 3262.89 8-Propanoylneosolaniol 5564.9 8298.96 6160.07 1941.57 8836.86 9698.5 2096.1 13138.98 10057.54 3384.07 1785.06 1446.84 1366.1 4221.14 9120.58 5734.52 3105.93 6522.42 7954.05 10439.02 5697.95 15080.43 2892.27 4077.02 7841.09 5185.26 4275.96 2785.23 8534.77 2749.36 10171.27 6090.9 13587.88 3729.09 5833.04 6311.73 2657.14 9344.97 4168.47 3660.19 8604.59 11516.04 7354.29 1220.59 8936.15 5353.33 8359.42 7490.72 3900.82 2559.97 6521.07 12524.26 4710.77 4783.8 5502.28 7472.79 654.7 409.53 4796.18 6965.97 1454.82 3095.34 13382.83 4815.9 6275.71 7930.38 23173.22 3710.66 1159.77 15959.66 3133.68 873.22 2920.81 5654.01 1801.1 7906.29 7636.18 8505.74 7297.18 8878.69 7933.32 7314.47 8747.93 7703.89 Polypodoside C 2466.53 2144.71 2158.37 2182.03 1518.91 4017.4 575.18 3345.34 3282.12 2508.26 886.51 2932.13 4137.55 2702.31 3095.63 477.38 1285.18 2943.34 364.74 5287.46 470.66 1953.63 959.57 1742.65 447.94 1794.19 1360.41 2789.52 5807.26 3917.31 4728.23 2938.68 2564.33 2475.72 1726.94 6651.32 1993.97 3244.15 1307.8 769.03 5305.54 5404.97 988.88 1771.83 3730.35 1036.49 8790.04 3544.87 2593.92 5340.07 2860.55 3385.3 1113.69 2804.45 1904.11 2345.27 1333.89 1054.98 2783.92 1839.95 684.13 1469.89 2236.89 2212.65 921.38 3202.44 3826.17 1612.66 689.04 2628.47 2269.28 2801.02 962.66 1641.79 1619.28 3141.23 3533.87 3356.98 3542.52 3414.74 3530.84 3492.02 3549.35 3531.4 Xylazine hydrochloride 593.8 934.81 1349.05 1514.36 1668.76 2015.95 1141.29 1217.37 1684.65 1006.63 841.05 3218.42 1924.33 570.21 1242.2 2127.97 2386.02 1561.72 2112.82 1353.7 1837.5 934.41 540.61 1032.58 1568.44 1837.64 1516.16 1782.96 1306.86 1405.86 595.54 1872.3 1477.88 963.11 1299.02 1282.35 1061.02 549.66 1925.88 879.04 1189.47 682.33 694.93 1122.09 596.8 1322.72 2845.64 1350.98 3724.38 1114.61 2021.18 1992.04 690.5 888.8 1359.8 731.83 3608.63 2727.32 860.1 1291.92 2858.78 586.26 891.65 1300.51 1033.98 1953.36 1461.93 1168.2 1463.1 1447.23 650.86 824.8 1265.52 1647.2 754.53 1164.34 1245.72 1220.93 1201.59 1005.65 1159.79 1239.75 1451.67 1191.89 1,3-Bis(2-methoxyphenyl)urea 2076 1995.36 2552.46 1571.1 6990.09 1046.31 1018.28 4021.83 3742.95 2609.75 2775.74 2204.33 4495.18 3537.6 960.4 3516.67 4659.08 1816.79 3126.25 7536.03 3122.14 5497.32 893.37 2369.19 3595.04 1621.56 3211.11 2850.99 8368.31 1886.82 5528.01 10420.55 2643.71 4173.39 2183.72 5687.36 2077.43 1096.57 963.59 2699.13 3062.96 11725.41 2067.14 3038.6 5219.05 3866.1 6905.31 5916.87 2807.47 3949.79 459.29 5692.01 1815.13 2908.03 1662.37 1193.13 2086.64 1711.99 1065.46 1121.98 1042.27 1294.82 4285.69 2738.94 448.32 5421.85 460.59 3530.54 4608.1 4480.97 3095.58 2048.09 3971.63 2755.88 6747.96 2148.46 3699.78 3607.58 3248.99 3613.25 3685.72 3610.85 3571.54 2994.13 PGF2alpha dimethyl amide 4579.83 14740.5 14207.07 11202.46 532.34 1441.77 10507.69 8863.06 11889.6 10067.04 10954.15 2602.2 7492.06 5626.78 1108.81 2134.89 10703.76 509.55 2755.81 7618.31 5059.32 4754.94 1711.77 15560.94 14185.46 4587.15 3260.62 11806.29 18800.34 19426.07 2677.59 3776.3 14411.08 14312.43 13346.43 11967.01 12609.57 13593.78 15665.24 12512.05 6891.71 5764.38 11743.7 16919.59 9769.04 6267.58 7642.49 8563.83 4040.06 5932.38 10569.62 12161.83 9407.74 7731.09 5792.11 9496.61 11670.97 14420.26 12745.99 16626.87 14706.76 12362.34 10851.5 12954.89 11056.15 6481.08 8799.82 14661.17 11828.76 17441.55 15104.75 16999.45 8239.91 14180.73 9477.63 11381.84 12497.29 11426.14 11904.61 11809.67 11916.68 10183.78 11884.44 11319.17 3-(N-Nitrosomethylamino)propionitrile 17904.22 20948.11 13571.26 15929.46 10584.84 14676 21344.74 24344.39 24131.9 23154.44 21842.26 14983.32 12341 19904.31 17497.1 18659.07 18718.17 21426.15 14784.16 17988.79 20143.79 15894.17 13728.61 16813.59 17081.62 18706.4 18897.14 15419.47 15680.2 16176.68 18179.98 17558.01 18748.15 16171.46 19999.22 19354.07 20585.08 18757.38 18075.18 20616.79 19987.99 18927.08 19351.19 20670.23 21786.07 17296.9 22491.83 16963.95 17916.65 16613.72 16748.16 17119.6 16211.21 14043.49 17043.04 19074.63 14123.81 11153.71 20235.38 13927.91 16536.79 18637.51 18885.29 15297.46 16403.23 18195.76 23870.25 20416.21 19988.41 19073.93 19816.5 20442.97 18710.68 15540.32 18706.68 18364.02 18370.24 18521.74 18244.83 18376.67 18206.64 18107.43 17996.99 18091.82 Benzyltriphenylphosphonium 839.78 1343.98 676.1 931.05 2361.62 1789.24 3521.29 3229.32 4492.64 1589.55 560.81 1861.83 6948.26 616.36 1324.9 2115.21 1444.73 1654.02 2778.04 762.18 1707.65 731.96 452.18 706.72 1833.83 1996.58 404.97 1510.29 967.3 444.7 1766.05 2380.85 1095.36 685.8 3017.15 1548.09 779.89 994.32 686.55 1456.4 855.11 4069.31 1486.14 803.38 754.8 1840.57 2100.77 1457.84 474.51 3477.52 1232.79 1218.75 1187.56 1271.43 1643.35 3831.09 555.81 1270.04 451.04 1373.61 1394.45 1423.01 961.37 1201.45 524.72 4942.45 2741.53 1676.24 3505.7 3153.03 1460.07 3912.31 1098.01 643.57 2457.05 2548.65 2384.12 2319.74 2209.91 1852.89 2408.61 2160.71 2398.64 2690.41 (R)-(-)-2-Phenylpropionic acid 2194.95 1028.25 1284.1 901.39 1673.67 1587.27 622.11 2031.09 2217.3 580.6 721 3683.9 1637.78 667.26 1658.39 907.34 751.1 1421.01 620 1797.99 552.81 827.19 672.66 733.55 1889.69 1934.81 1151.85 863.2 2168.89 1144.67 2525.98 1095.21 1124.76 864.19 667.7 1391.83 1155.8 665.58 1036.61 1023.22 1721.61 2152.6 777.71 728.99 974.71 1066.66 1290.01 2211.61 812.84 1241.16 891.24 1425.34 733.75 980.77 447.21 835.63 794.97 559.66 678.87 971.17 503.02 3677.89 628.61 961.14 1541.69 1930.16 971.1 1905.32 831.58 985.19 1331.95 1757.88 1137.08 1115.03 1009.29 1338.91 1266.54 1281.52 1355.31 1337.41 1247.36 1344.42 1011.63 1297.21 Risedronic acid 23168.98 45714.6 42956.28 20001.02 17916.45 7016.04 10756.02 18439.36 18200.97 21919.9 1287.23 15045.38 34097.1 20572.77 10845.19 4475.44 10250.75 17150.1 26783.34 9211.56 30039.35 3016.49 15957.52 33321.91 38560.12 20431.52 34720.22 34858.81 32537.71 33028.99 18963.41 24000.69 6190.58 41889.89 15205.9 50441.78 15101.62 6679.87 34573.09 46333.53 24565.86 17529.08 18238.25 16590.97 15277.51 16911.91 15606.21 20911.95 8809.24 7710.79 15632.16 15615.12 23264.57 13555.89 33108.03 23356.8 27903.41 19813.58 15196.97 12050.32 25156.29 38717.75 13009.82 6612.93 8028.03 24109.1 23289.04 46971.96 54211.51 20922.13 6874.75 13868.16 6440.9 14102.69 10437.14 14542.87 15317.66 15156.99 15045.14 14906.74 15684.31 15685.26 15586.79 15690.01 2,5-Diamino-4,6-dihydroxypyrimidine 809.46 1117.14 813.82 915.27 792.59 2335.39 3474.06 1344.22 1045.83 1364.58 4350.08 5105.9 4799.47 1638.97 652.43 1200.61 1514.56 681.52 3220.28 874.1 983.03 573.64 2916.58 2038.07 991.45 641.69 881.28 1278.41 1171.7 1261.23 664.98 4282.4 866.17 2717.35 2924.74 1307.92 1022.38 1541.89 2022.23 3632.6 958.81 767.04 2157.99 1293.67 797.81 1947.96 919.14 1709.64 931.7 6851.85 1005.41 1092.87 805.38 2707.84 558.47 1789.81 1258.8 1573.53 1017.44 1136.04 559.79 1300.74 1033.61 2056.34 588.76 1416.94 689.97 1078.28 801.08 1073.23 645.33 1724.12 3224.26 2282.43 3250.31 1049.85 1068.58 1130.63 1146.74 1136.22 1194.08 1040.19 1069.87 1200.69 N-(4-ethylphenyl)-4-fluorobenzenesulfonamide 3936.4 11383.34 4722.45 2104.1 6803.84 1310.4 3644.5 8671.56 8571.17 11939.47 5226.16 1992.5 2718.57 4472.79 6311.52 5751.95 1150.1 5749.14 9731.02 16513.88 4891.3 3231.41 495.88 2420.24 3443.94 6980.85 12972.3 7238.02 14275.99 3667.06 1157.66 1112.22 4656.62 4926.56 4190.3 8520.4 7470.79 5253.69 2450.55 6202.4 1122.55 5349.57 2490.55 2810.78 2243.77 5836.34 4333.77 8287.33 3058.97 6228.73 2694.89 1359.22 913.13 5466.99 4320.26 9055.8 1696.96 1130.8 9502.8 2610.59 1453.03 914.7 5620.12 3970.1 5652.53 6106.1 5732.23 6741.11 2674.59 7434.11 12050.58 10016.81 562.28 1175.21 3869.69 5038.17 4917.68 4884.46 4348.51 4967.34 4962.06 4860.48 5025.38 5223.79 5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide 1570.55 1163.56 1675.41 2553.66 2341.77 2767.86 692.79 2738.57 681.44 1432.08 1857.66 854.22 3794.15 1800.55 2411.35 4477.39 2134.68 2885.17 4365.32 859.24 748.94 846.83 2492.44 3629.47 1472.76 3606.14 982.8 1854.21 1824.28 2760.99 2211.46 2608.85 852.73 4776.29 1833.41 2799.35 902.93 3273.66 1374.64 2882.03 2643.7 5411.88 4983.47 4608.22 1892.86 780.42 536.19 1339.02 2272.21 2615.78 1143.5 876.08 2952.65 1166.39 3112.87 6577.27 2091.61 4018.25 5734.94 4224.75 2526.01 2275.6 707.81 1753.16 2105.64 2032.96 4007.17 2234.45 2941.72 1223.51 4056.8 3014.89 936.83 3585.29 1861.7 2588.72 2593.14 2535.19 2227.76 2441.8 2493.02 2443.5 2664.88 1032.51 Monomethyl phenylphosphonate 6423.67 9515.66 834.49 516.66 8380.13 4985.92 864.77 7336.22 7280.42 4190.49 3263.58 3940.06 18770.98 6868.92 5361.79 5304.54 8948.8 4640.99 4875.83 9227.04 5920.94 5714.83 10200.25 19199.13 7100.38 13840.83 3191.77 3348.71 7743.56 3940.85 6392.06 6630.49 3783.79 21994.18 6104.99 6223.93 5344.1 4047.05 2407.28 2537.36 6929.59 7771.24 2319.54 2263.83 6274.54 2955.02 6810.62 2500.55 5187.91 6395 5778.21 29864.31 2277.83 3997.26 4398.12 3297.99 2412.47 2485.3 5742.81 804.36 1714.4 33390.8 1811.54 2007.39 2355.14 5103.66 4231.33 3723.01 3951.49 5746.49 4276.39 3005.18 3498.01 1635.1 3341.17 4613.46 4659.81 4601.5 4668.82 4597.57 4477.08 4595.96 4599.07 4716.91 Dioctylphosphinic acid 2734.03 942.98 453.47 3365.86 1647.85 2642.64 1568.45 899.52 661.27 948.63 3433.16 1448.33 4821.85 1176.47 925.3 6352.33 197.16 879.6 1786.84 791.76 817.73 730.07 649.58 560.19 572.96 1641.91 1053.69 1875.51 686.87 4374.09 789.46 10092.07 629.38 3556.85 8142.42 704.98 805.32 1160.59 1392.7 1561.02 3208.67 6400.75 957.24 838.12 959.95 24830.51 743.79 803.73 420.68 4172.13 2103.31 1030.65 1007.31 1047.99 755.22 410.49 969.81 861.52 855.57 143.28 439.3 1978.3 588.3 1024.48 2425.76 5970.07 1475.7 948.43 2327.07 685.11 845.51 910.46 666.2 7410.06 4154.18 4068.17 4170.86 4669.32 4332.04 4228.27 4233.32 4403.47 4226.1 4270.11 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide 1165.88 1503.44 815.4 823.99 683.52 1215.75 1216.27 666.52 1145.68 2988.75 1071.66 1303.61 649.12 1178.77 1010.48 1402.93 512.85 1369.92 1028.51 515.68 1054.03 793.09 1603.96 1404.71 1351.85 474.58 739.53 2211.16 616.98 1164.2 786.27 532.02 1246.69 487.37 1448.93 762.84 730.19 1395.26 712.67 1302.6 1084.62 1024.32 1911.04 742.38 971.32 2670.93 1084.96 1533.67 2468.58 1178.56 2827.43 581.39 2426.17 2724.79 1436.45 1648 1005.65 1023.23 650.4 747.74 2005.84 2068.54 1281.74 2554.96 1080.86 689.55 1199.12 502.48 1360.91 835.87 1088.89 450.54 1525.13 1642.5 725.93 1477.46 1337.09 1411.19 1430.15 1257.74 1289.02 1430.57 1355.99 1435.47 Isoquinolin-1-yl(phenyl)methanone 1442.43 882.32 1774.22 1475.79 2299.16 462.36 1891.03 1603.34 539.01 996.92 1402.05 647.16 2673.5 942.2 894.09 943.88 1119.41 1141.77 1288.67 555.65 1724.31 1590.06 1199.31 1007.11 2095.15 1974.28 1006.12 2149.92 2076.95 683.56 1084.35 2104.99 501.55 966.53 1561.06 1971.96 2105.54 684.17 1315.01 1279.12 1010.28 622.31 1790.95 1285.79 1361.52 959.28 2084.93 1428.06 1130.24 947.26 1591.69 2834.86 1492.22 1077.5 733.08 1255 1558.15 1287.05 1747.72 459.78 824.97 1298.03 1472.01 1519.35 977.14 1509.96 1514.53 1881.18 1485.49 2774.4 1821.6 2045.31 778.22 714.28 1343.32 1771.12 1807.25 1682.79 1773.17 1425.35 1685.1 1795.82 1672.24 1751.44 Methylmalonylcarnitine 1253.56 7868.11 531.14 697.41 1640.99 3649.11 1488.68 2369.75 1090.18 2316.91 981.81 3470.02 3263.65 633.32 1180.24 2172.77 1696.35 1281.33 2970.01 2629.57 1947.22 3818.34 511.28 8111.47 1686.55 1154.92 1797.23 445.99 1348.68 822.17 317.65 2312.02 2858.2 1054.14 1013.4 716.53 1914.45 2724.02 1330.2 1235.72 2195.26 5361.37 1510.8 1965.95 2496.02 1320.71 1963.86 914.76 572.47 2877.04 1511.44 2133.97 2032.13 857.65 1439.52 3186.34 1008.57 1651.87 1640.13 1507.8 3383.87 3114.03 985.17 1418.05 1749.85 1249.88 1137.42 560.6 1299.82 1363.73 912.23 1538.38 1379.49 4196.56 738.69 2866.84 2933.96 2823.71 2278.35 3031.58 3015.59 2927.2 2791.5 2671.88 1H-Indole-3-carboxylic acid, 1-(((4-methylphenyl)amino)carbonyl)-2-hydroxy-6-(trifluoromethyl)-, ethyl ester 1477.24 3031.62 942.22 2721.9 4279.7 3687.44 1252.5 7126.86 2539.6 4861.33 1750.49 4850.87 4097.63 5360.07 3544.17 5916.92 2079.84 1605.6 8890.07 4837.57 2777.04 4601.37 799.62 2099.13 2567.38 5822.68 2399.7 2656.03 6080.72 3623.11 2235.38 11999.62 6113.1 2960.25 2794.51 1488.13 1938.72 1536.21 2165.99 3099.04 2653.1 3189.3 4612.75 2393.85 4177.42 2845.99 820.67 8135.41 829.07 8291.73 7385.18 3539.26 2510.27 1436.56 1376.39 1398.84 2502.48 2829.36 1995.22 3028.66 2990.95 1915.09 1434.13 1006.11 750.52 1755.45 1509.06 4703.9 1036.78 1577.25 2745.44 2310.16 2251.94 1270.46 3517.33 2192.61 1956.32 2243.97 2435.43 2287.48 2388.32 2505.45 2517.84 2071.07 6-Hydroxydopamine hydrobromide 35544.68 38185.87 45546.5 30563.46 41509.8 15776.72 111777.97 158101.19 53328.51 39543.53 31802.73 31410.3 42709.38 36846.39 36133.14 31007.58 29168.02 33397.49 46767.86 30366.19 171812.92 20721.13 33426.7 37380.13 48515.76 41538.78 44303.09 41999.95 49263.35 25992.58 27197.61 37419.28 30777.75 43248.92 34027.56 48787.91 37649.94 11286.2 33926.61 29564.31 22435.14 29701.79 35927.04 27357.73 34700.28 20059.88 45909.34 38799.38 19480.36 27009.76 21097.82 28021.87 33472.74 20884.37 96993.75 33102.43 30552.17 28204.45 33345.19 14019.85 27773.81 31069.03 27124.29 29460.43 34611.05 32332.68 25206.87 43107.45 34610.93 40586.49 27982.77 27059.92 11656.36 18185.48 26295.4 31067.92 30992.67 30788.56 30997.6 31047.76 31472.51 31170.64 30996.26 31092.89 [(1'S,3'R,4'R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate 6153.57 9948.99 4301.47 4314.59 1524.54 8104.25 3437.8 5028.85 7804.39 6292.83 4561.05 2277.38 1252.44 863.3 3631.52 4987.27 4144.82 1581.16 2279.23 8154.4 4016.51 2675.16 1269.77 3586.77 810.9 1221.88 5008.04 1290.33 2003.8 8598.69 5373.99 3208.87 2997.49 7904.15 3056.68 2056.58 4361.76 7415.6 9691.48 1865.23 10314.45 8543.58 4410.55 3415.61 5224.79 4222.71 3064.43 843.65 1772.9 1324.63 4717.97 5590.61 3775.01 3589.27 6945.79 10285.57 2497.06 1675.12 4459.16 3008.32 6492.49 5257.19 3676.14 2933.15 785.85 4769 7739.27 764.93 2729.01 4385.35 4216.68 10180.5 5913.65 4015.38 3280.57 6303.65 3926.71 5088.46 5623.23 5384.6 5746.06 5708.15 4966.49 5508.67 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one 3051.94 5831.83 3558.26 3754.4 3095.67 2412.61 2135.33 2377.01 4741.15 6472.24 1884.94 1022.73 2687.3 3879.04 4286.38 3737.01 2667.18 3052.13 2758.61 3109.9 4531.71 1916.84 1828.67 3802.32 3747.51 4345.42 4312.91 2507.62 560.43 4739.38 1763.2 2979.79 3358.91 4879.52 5682.83 3194.44 4242.82 3788.55 4847.36 4375.33 1135.3 5103.6 3614.84 4274.95 3603.34 888.68 1360.88 2910.97 2737.49 3806.34 2884.29 2685.26 3258.35 3482.34 2559.16 3180.56 3320.46 2843.48 3688.5 2836.71 3369.77 4225.86 781.4 3729.08 3704.81 3841.02 5032.5 3377.55 4659.35 2596.56 4159.88 4160.15 4711.65 822.33 3761.17 3781.86 3431.02 3787.49 4116.66 3707.04 3422.42 3805.86 3314.94 2716.48 Formylpyruvate 2829.93 4581.7 4744.68 4152.31 4609.07 2944.36 2213.8 1964.15 1380.35 1006.61 632.45 3085.94 1828.17 2041.99 3615.57 954.46 1988.44 2545.54 2654.24 3114.86 1802.75 1280.32 1043.59 3325.63 3858.59 3382.36 3047.52 3458.67 4860.22 3292.76 3667.06 4686.66 1340.9 3600.8 2782.25 4654.21 3692.44 1971.67 4098.03 3126.29 3708.52 2974.8 3935.99 3520.51 3078.89 3049.43 4285.21 3798.1 2743.76 2541.87 1643.84 2862.41 3636.48 2750.85 1354.96 3275.77 3632.7 3169.64 4143.49 2881.71 3107.12 3222.8 2403.27 3169.7 3529.44 3789.39 3403.32 4740.56 4486.75 1726.68 4972.84 2196.98 1442.21 3364.71 4517.71 3669.11 3544.06 3422.39 3727.2 3730.76 3659 3693.29 2998 3439.72 Dichlorophenyl-bis-triazolylpropanol 1178.69 1541.06 3286.16 2514.27 1298.28 1952.1 6351.17 5133.09 2304.93 756.29 3397.88 2829.48 3360.25 4552.53 2387.22 3116.17 3132.45 3343.24 2254.08 3155.21 4295.08 817.92 3333.58 3384.74 703.57 2474.44 2247.57 2390.24 1766.7 1912 706.37 1440.73 2173.25 3542.53 4265.08 1381.15 3564.54 2697.38 4173.46 2786.09 2609.03 1946.15 3381.56 3916.17 2029.24 4414.38 1868.28 2685.81 1660.02 2236.39 3850.14 3833.95 2340.58 4300.91 2710.51 3874.64 3175.24 3149.86 2915.12 2609.62 2995 2623.16 5569.83 3277.39 3331.85 2420.33 2512.86 1811.32 1180.6 4049.57 3580.47 2145.71 2958.67 3607.08 4955.53 2474.6 4211.09 2326.62 2628.94 2252.3 2099.87 2090.93 1943.52 2133.21 2606.19 2037.71 2331.19 1996.48 1901.97 2015.32 2536.43 2564.24 2362.55 2130.45 2327.25 2512.22 2089.37 2148.8 2218.17 2360.6 2921.95 2894.39 2923.63 2921.18 2922.55 2815.65 2404.87 2893.27 2821.93 2-Chloro-4-fluorophenylacetic acid 6770.76 16289 18162.49 11960.42 5479.51 2965.33 8917.02 6693.9 7888.69 7951.36 7596.97 1308.93 7413.36 19748.6 11818.42 915.72 27937.91 4769.21 2282.99 971.64 722.95 820.1 15517.08 12213.32 1560.22 3377.31 3708.68 4101.7 1601.15 827.11 8659.5 9666.25 5416.73 1209.22 3389.37 3797.64 8747.34 5472.92 15377.24 3850.29 5673.81 4782.85 22137.96 31119.19 11619.36 820.41 3661.01 4085.21 2396.48 7233.24 8250.82 6342.95 1082.73 2970.81 13762.9 20468.85 34788.75 15872.04 830.77 5563.35 21493.3 1978.56 21580.19 2596.37 3445.66 20151.82 7782.05 23165.4 23539.54 13383.28 3666.04 19430.34 4624.51 6997.46 20395.4 7120.41 7116.78 7096 6944.71 6955.45 6946.32 6991.5 5912.36 7078.12 Pitolisant hydrochloride 1527.95 1409.19 2942.63 2388.55 2292.18 1561.66 2954.03 479.25 1181.22 1712.33 1644.96 1711.82 872.92 1489.41 973.55 986.63 1247.95 1891.6 2453.5 1649.92 843.73 673.82 1388.38 2922.61 2961.5 3826.53 2833.08 2617.82 2649.98 1039.62 1783.15 2944.15 1188.6 2008.57 1800.65 2190.63 1647.88 668.52 2671.68 2038.56 707.63 1289.2 2495.54 982.72 529.81 4958.64 721.75 1677.79 3507.88 1114.29 3821 1546.72 2430.24 5773.67 1986.79 1280.35 2326.14 3553.28 952.81 500.77 2373.33 1860.93 1244.57 1476.68 1386.19 4562.6 1297.06 1169.08 1901.74 632.91 1224.45 1757.8 2776.84 714.97 840.66 2053.3 2121.28 2425.84 2184.94 2131.19 2158.07 2117.56 2057.98 2176.74 Dihydroactinidiolide 2474 2026.18 3247.95 4648.16 9381.61 15166.01 12637.17 1745.75 1508.28 2974.73 1492.42 3412.99 2688.22 3027.64 2118.39 5017.74 3365.64 2819.89 2843.11 2453.84 3212.25 1570.36 3252.6 3617.64 2256.72 2191.83 3855.36 2715.04 3139.58 2072.53 1995.53 2596.5 2539.78 2004.13 3350.36 3908.87 1857.47 2773.85 3127.25 3786.68 7710.77 2451.61 3116.04 2897.45 3962.79 3133.74 2386.81 3426.03 4105.88 5003.67 2792.61 2613.31 2658.84 4835.46 3094.52 3181.96 2944.14 1628.85 1963.64 3018.75 3196.63 3233.49 2469.33 3763.72 1974.19 2619.45 3022.19 1817.56 3129.76 3381.79 1193.07 3258.62 2089.64 2357.5 3890.28 4513.87 4294.88 4310.71 4227.79 4331.46 4299.8 4394.89 3528.15 4234.97 Atipamezole hydrochloride 1243.77 1912.32 2919.22 998.94 2670.62 5188.79 2325.63 2587.97 4003.92 5617.35 732.78 1476.67 2456.52 3616.01 4297.02 7702.2 2158.57 1618.57 6005.41 1190.74 2656.39 2302.67 2260.26 2475.6 1787.91 3169.98 3698.49 3756.01 1822.4 3263.88 406.79 1178.4 675.32 1251.85 1365.55 1101.3 2296.15 3403.08 683.72 2822.82 2296.71 1555.24 4137.95 2998.49 516.39 1862.1 5769.33 2156.35 1443.67 2406.15 3333.51 2289.59 3790.02 2735.66 850.92 831.42 3384.1 1938.4 5590.74 3089.42 3470.52 4033.69 858.36 1814.72 2527.75 2998.57 3454.05 2611.46 935.01 1387.35 1765.86 1495.53 1739.66 2757.18 938.92 3271.07 2713.77 3060.66 2804.16 3274.87 3283.59 3216.83 4186.57 3383.19 Epinephrine bitartrate 13103.14 3267.68 14503.24 11019.27 15530.33 2396.46 5329.14 14692.98 11111.23 10737.66 875.69 6086.37 3404.96 8217.55 2589.24 1643.69 8305.55 9852.39 5634.32 10285.76 9929.11 17239.23 1985.07 14281.45 15287.11 13733.02 13590.88 12940.3 14181.55 7939.8 8709.67 11847.17 651.39 13978.22 12656.89 15225.03 10279.24 4064.54 10658.84 6513.86 5519.48 8659.54 10662.9 8052.62 11326.41 5706.72 11722.68 7075.77 4590.27 8005.96 2305.8 8455.1 10090.52 3567.63 5456.29 8411.27 9755.78 8008.66 9745.83 4792 7999.87 8818.57 9111.94 10448.24 12074.23 11313.75 7972.78 15540.6 10258.7 12650.4 10333.17 13153.84 5143.92 6802.88 3597.59 8756 8424.28 8605.25 8570.72 8750.74 8858.37 8588.51 8731.41 8558.26 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole 781.89 600.93 2826.37 5358.11 2159.16 3463.12 12249.12 1082.02 605.46 1260.29 1084.67 1570.77 7036.51 2113.31 815.42 1618.94 1727.32 1103.54 1466.67 488.07 1024.71 2439.77 3299.81 2468.87 813.81 897.83 2199.27 1010.92 1390.7 3470.17 462.37 9079.87 484.32 3025.84 4032.74 720.31 706.24 1202.87 2504.43 1541 3469.75 512.83 2147.87 3667.57 1064.33 8875.31 1008.88 1619.72 1228.32 1944.37 848.14 1061.46 2609 4523.26 2534.82 519 5402.78 3533.93 428.93 2874.82 1041.58 2546.33 818.69 3364.16 912.23 1167.6 1283.77 1349.2 1279.65 994.28 1131 3224.97 1578.19 3046.43 5939.32 2045.26 2153.85 2243.97 2193.59 2153.15 2192.03 2153.35 2154.82 2187.43 Gefitinib 722.77 354.55 449.83 854.66 510.91 197.16 1130.41 506.35 623.18 589.69 562.97 1807.7 1577.29 907.09 256.13 317.11 273.46 468.74 2358.63 786.34 500.45 432.18 4843.73 308.97 426.52 317.2 390.38 709.97 410.2 353.87 336.91 956.41 295.75 496.8 684.07 1159.56 597.56 1039.62 752.97 588.72 544.93 1350.68 595.93 255.91 941.29 527.03 1218.08 2042.44 4315.31 1837.97 577.4 779.43 1649.08 1147.56 547.57 239.65 810.7 768.63 1170.1 379.55 1074.67 678.58 883.55 751.53 953.42 1026.88 509.06 1275.43 751.68 1052.58 1537.21 470.94 975.02 886.54 1238.44 1488.7 2012.62 1632.81 1662.8 1242.37 1397.92 1743.09 1582.09 1317.98 N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]acetamide 17900.54 20601.93 10495.84 8038.34 23992.17 29199.79 7144.63 4452.04 12441.27 16504.52 6303.76 9302.1 11629.95 10613.98 28558.71 13317.46 9727.3 17045.28 16916.22 21689.9 24163.85 18995.95 8619.36 11158.05 20450.26 22298.17 9065.57 10574.72 15341.1 5576.38 17618.42 22626.18 14916.17 13308.51 11749.78 17756.31 18440.34 23994.88 10134.3 10645.29 22133.57 9757.19 12183.4 5679.89 20295.44 13477.13 22334.96 6370.02 11592.96 1168.56 4199 17398.92 11522.02 13705.38 10890.67 16105.68 8799.8 10211.37 18031.17 10914.89 7709.23 11201.4 13519.57 10017.18 8806.87 18949.84 22727.28 9939.2 11737.07 18003.26 16521.1 14173.78 12414.9 7190.83 5312.47 14927.12 16088.14 15441.59 15590.06 15384.39 15763.56 15374.52 15378.06 15386.53 3-Hydroxy-2-iodo-4-methoxybenzaldehyde 2944.63 1293.08 1119.23 1533.42 1367.75 1383.92 1010.42 928.37 713.51 1284.28 777.89 821.61 797.66 1888.64 683.02 743.45 2069.99 896.66 700.77 805.77 987.47 1481.93 664.3 1825.19 1757.98 1257.43 2105.02 2048.64 1313.45 4094.34 1558.52 710.61 658.16 1345.77 872.22 895.77 1551.43 1404.75 3829.91 857.15 1001.71 1063.87 1037.02 602.26 700.37 513.69 640.36 582.66 812.48 580.74 563.37 652.1 951.09 758.58 916.68 731.57 588.05 565.26 974.74 527.18 813.14 1125.77 1333.83 651.58 1013.35 680.73 614.39 710.71 1947.57 754.87 745.58 685.09 660.25 595.6 935.54 9450.15 7864.59 9547.77 9740.06 9132.89 9499.58 9468.7 9753.51 9550.59 9386.33 9273.66 9165.45 9123.83 8501.46 9160.94 11950.12 8897.47 9040.4 8949.96 8764.78 8641.65 8476.55 8508.12 8452.96 8409.87 763.43 762.64 804.66 926.5 788.36 764.22 809.47 725.33 852.12 2-(5-Mercapto-1,3,4-oxadiazol-2-yl)phenol 3724.42 4907.3 4570.58 3687.64 3407.43 2148.75 2986.8 1849.41 2013.51 5472.79 3653.11 1381.52 10186.58 2869.71 5439.08 896.39 1700.76 6363.55 4413.2 13996.67 3152.16 2412.32 2538.46 4379.53 2262.1 3683.87 1713.97 2151.19 3389.63 3856.86 5201.91 6675.37 3834.05 2657.48 3466.11 4999.48 2682.18 2160.66 5405.71 2752.65 979.79 2964.99 7026.02 4224.61 3613.85 1013.16 6187.28 4821.42 1988.37 2702.08 2996.05 996.37 3694.81 3110.27 2417.03 4912.79 8313.16 4474.76 798.31 1682.14 2360.88 2961.05 3774.35 6684.47 3126.88 5412.93 1879.9 3461.6 3755.73 7560.88 3396.75 3613.77 2517.56 5208.25 2790.22 2809.51 3318.57 3599.84 3475.88 3336.29 3483.73 3498.45 3022.95 3475.09 4-Amino-1-benzylpiperidine 860.03 1345.79 1915 2160.01 1526.4 1513.07 4059.45 969.03 855.48 1085.49 1269.98 2267.8 672.56 2990.31 736.41 3852.03 2105.89 1747.02 1947.38 5211.9 1313.49 2071.8 1184.77 2447.62 2030.67 574.89 1568.54 742 3364.32 12328.64 885.09 5369.2 3447.49 3688.33 3001.03 710.51 978.85 4076.17 2268.8 1095.61 1232.52 786.2 943.77 1570.2 821.08 2605.41 566.39 948.39 1910.14 963.44 1725.84 557.86 2493.71 3865.22 1506.69 1826.57 1825.47 1034.87 13466.17 646.92 2089.26 1752.51 538.08 2753.87 2487.87 1117.94 506.18 1147.07 1219.58 1277.97 4215.97 3232.98 2744.31 2859.34 3169.72 2107.2 1874.34 1922.59 1720.66 1925.92 1875.84 1894.87 1823.85 1809.44 Methocarbamol 2543.63 779.57 1172.37 1334.74 2196.76 1850.57 1833.43 2220.22 3801.2 656.28 2548.86 2271.19 1576.78 2296.96 3313.73 1447.05 3214.85 2043.39 1984.74 4282.23 1944.61 1811.87 2286.98 2711.74 1379.87 974.55 1040.59 809.48 2416.26 817.91 1894.36 2619.69 4128.34 1832.52 921.03 2666.7 2956.22 1511.85 1458.83 1553.25 3022.15 2482.87 1332.04 1034.49 2260.04 790.55 3447.23 2173.55 2503.28 2920.89 3903.06 613.04 825.22 2591.18 2085.39 2708.64 1810.59 1128.46 1819.12 957.96 2798.97 550.88 2527.93 1733.68 1637.6 2418.63 3645.61 622.2 1612.62 1554.1 1128.41 569.8 3553.15 3161.08 1624.58 1863.87 2018.9 1842.14 1727.24 1661.24 1702.45 1644.76 1826.23 1652.91 Arg-gly-asp-ser 776.55 1565.01 540.96 591.66 4566.93 1606.82 1335.68 3641.68 3173.34 1414.56 1736.08 2684.06 3635.62 1058.71 960.24 1713.34 3559.73 2654.9 1237.37 1715.07 1693.82 511.13 3034.81 2394.26 912.22 918.23 4226.01 414.85 4131.69 1106.27 2519.22 1548.12 1521.63 372.92 2627.71 2320.37 3481.53 3315.66 1622.79 1866.69 3546.23 789.18 553.42 368.48 906.21 562.3 2335.52 2024.86 1034.23 917.5 446.84 1915.06 1690.23 3852.22 2076.52 1848.66 1042.89 890.35 418.15 530.7 2985.12 1185.53 1807.23 2696.12 1160.62 2281.56 1126.26 1154.46 1380.63 1745.86 720.97 1439.12 1171.54 1011.91 1096.93 1374.53 2223.35 1724.97 2760.44 1924.12 2093.73 1606.45 2131.42 2323.09 2-(4-(Benzyloxy)phenyl)ethanol 4108.97 2871.29 2322.51 866.19 13488.48 6808.47 8008.78 3934.56 9436.54 5029.93 2686.46 5209.5 5525.53 2019.12 6987.61 8034.06 4730.57 7055.66 6199.9 2178.14 6363.61 6174.39 1589.04 4445.49 4083.09 9723.32 5495.76 5276.49 2540.37 1697.39 2995.01 9136.95 5411.43 7150.58 2648.92 6707.56 3170.79 6989.97 4855.66 6414.85 3179.22 8342.6 4475.63 3346.71 9123.76 4684.96 7342.71 2246.23 2937.49 4818.88 10265.23 6316.15 6826.68 4816.08 5271.13 7395.97 4253.46 8452.54 7242.19 2357.73 3832.08 2517.25 6116.76 2628.71 4034.53 4345.48 4850.94 5165.54 1790.58 7844.29 7721.15 2056.13 6314.44 4671.75 5277.47 4500.72 4727.55 4496.77 4790.66 4755.74 5083.24 4508.47 4766.82 4531.69 Rhynchotechol 4908.35 2665.06 1967.24 2000.75 1278.94 1922.67 632.57 1001.3 5982.36 4723.14 2167.22 2151.54 2364.69 2462.73 3038.16 2964.29 2343.07 1816.78 2683.72 3460.93 2316.54 4969.79 2768.45 1390.03 2600.54 2658.57 449.36 1862.97 4277.09 507.5 3691.33 2658.65 4307.61 3787.96 5585.03 2675.97 3004.51 3828.71 2771.99 5606.25 3314.19 1236.69 1653.5 2384.02 3046.45 434.95 4793.25 3748.4 1377.76 3641.01 3425.31 3104.87 780.62 3009.19 1919.47 1481.88 2616.97 504.6 1867.73 2344.98 2107.5 1324.49 2336.18 5984.59 1893.43 1735.64 5022.05 1929.82 793.55 1772.9 3299.58 5098.59 4397.58 4318.94 3033.49 1511.76 3078.94 2885.9 3361.77 2942.72 3359.3 3231.71 3123.73 3021.38 2-Trimethylaminoethylphosphonic acid 5521.37 3894.42 3984.58 4907.43 16948.86 6310.65 6926.12 9576.08 6991.5 6263.62 4527.62 11440.31 23041.06 8153.31 7059.04 8925.96 3849.2 8600.16 9067.22 5711.16 6843.59 4472.42 7547.69 4019.96 6087.13 5017.64 7555.27 5567.42 8903.54 6477 4236.16 22020.15 5249.96 8078.89 5079.28 6294.18 5582.95 5972.95 5236.16 2589.13 5606.05 12806.12 4949.97 4767.02 8143.95 10273.06 5515.83 5263.53 24654.97 12122.88 13396.68 4476.76 6519.05 6784.57 7760.71 4930.52 3349.73 2011.21 7437.41 4938.1 4340.88 5265.53 6021.62 4368.61 3074.63 8193.64 5138.65 5213.46 4483.79 6485.44 5380.08 5574.12 5340.66 4364.45 5841.67 8268.19 8065.14 8207.89 8216.33 8107.88 8213.3 8085.26 8208.25 8086.21 Tris[2-(dimethylamino)ethyl]amine 610.7 1755.56 3797.53 1210.57 8139.58 667.29 62995.74 4036.48 8035.79 4937.92 407.49 675.32 32625.02 1873.26 2867.8 12981.9 1294.82 5780.35 11911.66 4881.46 2753.25 1112.92 1843.41 3606.14 1987.33 2597.37 1349.59 2442.44 516.02 14528.9 3441.24 5149.96 1604.53 98514.6 3035.6 982.65 372.3 6453.29 5075.46 998.94 936.52 6625.67 374.53 9435.61 6521.22 17755.56 7913.47 3940.73 2087.12 837.82 4162.05 1848.24 5460.14 1845.92 7555.37 2206.67 3148.69 4754.86 3737.08 7916.25 2726.99 9540.92 403.42 1115.5 5582.55 2642.17 388.15 6813.48 9971.94 7017.28 3346.32 4397.95 8322.24 3201.6 8999.77 5146.19 5362.62 5315.42 5328.12 4894.91 5030.26 5750.63 5090.44 5031.05 Demethylsulochrin 5112.88 4449.81 3538.18 4981.88 8734.21 2954.03 4209.37 4467.06 861.29 1425.72 915.83 1285.29 1931.98 1394.99 4483.06 1429.62 2128.43 3721.92 3300.83 2032.31 3247.63 831.75 978.66 1999.2 5281.63 3558.88 2643.56 952.3 9066.37 2620.75 5949.75 3258.99 1687.14 3437.59 1879.07 5035.66 4898.86 995.66 3693.71 4718.69 3276.17 4777.82 2107.62 2104.8 2655.89 6411.91 4609.7 2147.33 672.67 791.26 4533.62 3221.35 3020.87 2606.53 2492.74 1889.48 1961.84 4250.03 3610.71 2334.49 2359.46 3266.91 2497.76 3938.06 1578.82 5575.7 900.24 1367.11 2143.23 3488.66 4443.76 707.62 3860.61 3795.1 4040.41 2136.23 2165.74 1968.4 2007.44 2133.95 2140.66 1766.13 2133.14 2134.32 1,2-Benzisothiazol-3-amine, N-(phenylmethyl)-, 1,1-dioxide 694.32 1488.55 2554.68 945.23 678.76 768.27 1133.71 1154.68 1524.25 1815.3 1181.92 425.7 928.3 1124.89 653.37 1241.47 1261.09 1646.45 486.22 614.97 969.21 512.42 1124.31 660.13 632.42 1648.12 1480.45 1366.19 602.09 1178.89 855.44 1021.58 587.77 1208.09 937.82 887.93 2129.34 1471.6 515.69 938.34 920.62 448.58 1640.39 2146.76 530.19 522.69 1039.99 1440.02 926.31 1952.13 1604.88 2064.62 1111.34 1177.99 969.75 1257.89 2422.06 1645.15 940.61 991.83 1020.16 832.79 768.34 1898 2185.55 883.76 1370.3 689.46 849.88 890.44 1277.21 844.84 1929.07 2409.25 974.17 1300.68 1318.06 1344.24 1312.52 1350.45 1160.68 884.62 1333.67 1256.28 2-Amino-4,6-diphenylpyridine-3-carbonitrile 29447.97 25955.75 14630.47 11518.6 24248.78 50395.66 11515.16 31132.59 34351.06 21201.02 9855.67 13224.07 10387.75 22032.43 3602.95 19576.63 6971.12 4383.73 5526.08 29682.73 24345.89 24000.57 13477.76 15931.74 27958.44 31503.48 9197.78 18591.92 43479.16 9865.65 24655.18 25048.91 15687.09 25277.05 16064.98 28038.84 26830.54 41240.08 13591.69 12424.82 19722.39 32779.88 14897.06 7858.79 26376.62 13588.28 35745.5 12284.87 19145.15 33833.76 29613.7 22330.04 22982.53 15659.67 14637.8 31310.2 12035.85 3087.15 18281.22 25167.93 9231.62 14585.1 19448.94 13960.28 29604.89 34730.39 23434.86 15042.52 12274.07 28499.29 19997.05 20117.88 9776.38 32004.2 15084.28 22096.17 21644.02 21974.53 21661.98 22024.92 22311.93 22091.21 21647.57 21646.34 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid 5550.57 3193.62 4408.54 5210.75 1243.28 3149.04 3485.29 6980.99 5482.3 3548.11 1878.09 2165.17 3259.23 775.71 2662.51 2834.18 1561.34 2792.59 965 4985.81 4162.43 2674.91 890.31 1386.27 2191.54 2738.59 1349.48 655.69 651.38 3263.64 2555.25 2981.03 1820.55 8534.64 3351.29 4060.61 2933.84 2712.04 645.62 1413.47 4058 4093.66 2640.91 707.64 3606.89 1938.41 4098.46 1718.4 1492.25 2724.83 3204.75 7827.05 1501.38 1755.92 1022.28 2669.15 3742.88 4667 3076 2752.71 2686.66 8363.93 572.62 1069.61 2493.39 3560.84 782.19 1962.73 3210.76 2925.65 4119.91 4989.69 2252.77 2997.99 918.49 2377.07 2424.32 2273.23 2378.81 2380.92 2424.62 2375.74 2426.36 2425.18 3-Oxoalanine 1175.52 1874.39 981.03 1065.66 474.48 2024.19 472.89 1897.18 1715.58 1704.65 1742.29 494.91 1055.16 914.77 977.1 2021.7 979.02 3091.53 952.25 2900.95 1341.56 879.34 2522.53 930.29 1071.91 603.6 1176.33 2076.07 900.84 1513.57 850.75 1246.43 2624.54 1976.04 1289.97 1212.63 2067.09 3375.12 2121.61 1382.46 2515.31 2374.39 1896.28 2250.46 2361.25 2277.11 1786.67 2431.89 2255.48 1767.71 2325.93 1652.21 3074.28 2219.33 1667.89 1739.78 1556.59 1622.26 2767.4 1453.03 2824.19 2089.99 1590.72 2608.3 2508.18 2162.58 1283.56 1712.02 2607.21 545.02 2173.91 2611.74 1366.2 2302.03 1687.57 1982.27 2020.13 1994.38 1832.01 1903.81 1892.47 1555.93 2038.32 1990.86 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one 3589.57 8131.86 3129.53 3356.56 7026.8 9691.48 2247.6 10996.5 10496.73 7177.63 926.58 4730.11 1020.68 4319.64 8522.24 671.71 2181.68 1030.21 3513.31 5498.84 1224.24 564.08 2467.54 4933.73 4732.58 9705.62 4618.48 2932.95 4977.05 1223.13 3407.64 2069.55 3180.38 2068.17 2532.22 4791.47 2009.01 445.42 1530.87 2864.98 1924.48 4100.57 6901.87 3399.47 3422.81 3497.27 1925.45 4859.07 1064.72 3246.42 570.46 3375.22 315.12 4302.57 3484.64 3512.09 2400.26 3420.3 1170.8 7318 3050.05 2515.7 2539.93 1225.96 5491.51 2344.13 542.89 1648.74 4724.6 2368.65 10197.87 4956.13 447.21 4587.18 3697.56 5837.93 5587.15 5363.47 5794.53 5375.66 5312.42 5929.71 5964.12 5980.22 Piperalin 14656.65 14295.96 5486.54 6909.04 15225.03 18838.92 6747.67 18547.35 18973.15 7408.51 6377.46 8879.54 719.17 7729.65 11258.48 13159.38 7496.86 11418.71 2134.29 19145.41 13961.32 4972.37 1651.82 6667.95 12934.55 14156.2 8964.58 9382.95 19988.57 6761.57 15496.99 6189.79 8557.69 6178.2 2646.81 12037.04 14827.06 10239.07 6169.22 7473.65 12094.61 12451.84 6812.19 7626.51 14679.1 5048.41 15702.25 10670.37 7676.9 11666.84 10747.12 10254.05 6526.88 8856.1 10518.15 9521.87 5743.62 3653.68 13032.39 8158.4 5615.05 2284.84 9702.05 8686.33 7795.54 13302.21 13151.91 7012.67 8233.24 13412.68 18568.06 11313.77 13163.5 5572.97 10614.27 11623.6 11770.37 11416.32 11613.83 11320.57 11043.13 10765.27 11402.56 11590.54 Reboxetine mesylate 661.07 1874.38 1030.65 1029.68 886.92 957.49 764.55 1404.28 1823.39 1536.15 1698.71 2198.69 1255.8 1523.08 925.31 2206.21 1398.08 2831.48 2276.11 3802.4 1751.9 2046.99 998.98 2797.6 827.54 1325.96 1205.89 613.69 1552.71 545.06 4509.55 4672.52 1591.71 871.41 1209.42 1258.9 2125.56 1724.18 1111.56 1153.65 3607.22 3180.72 1475.8 1983.58 4448.82 2306.87 1336.76 1583.54 2680.08 1302.53 2020.16 2140.79 636.08 2396.54 1982.5 1358.04 597 697.25 1028.84 2175.74 821.39 1215.11 768.11 1299.69 713.84 3959.66 4409.12 1311.44 1150.93 766.68 1892.75 1479.25 1200.03 1827.09 1309.73 1207.12 1620.11 1589.11 1586.87 1478.64 1654.32 1741.3 1004.77 1570.41 Phaseic acid 1926.88 2342.29 557.91 1001.7 1739.06 3721.75 1370.16 2546.93 1630.95 1456.76 1068.82 981.93 1272.73 811.32 1610.57 673.71 515.16 1742.58 1464.94 2323.73 2367.58 1191.8 1253.35 855.95 1119.51 1670.27 732.12 1347.24 2259.85 905.88 1227.94 626.01 648.73 689.45 1109.88 1438.3 2160.18 1688.99 1355.53 1429.6 1149.01 2306.29 1637.57 582.56 1331.1 860.17 774.64 755.47 1066.38 1599.76 1185.75 1062.98 1080.76 1082.54 718.9 1635.59 656.05 1229.37 1451.22 1250.25 672.36 1029.14 1890.14 2194.44 998.49 2149.79 3166.29 567.35 624.34 1891.09 2050.35 1545.72 1140.98 965.19 1077.73 1225.55 1490.97 1419.2 1432.21 1455.02 1369.81 1627.59 1500.99 1410.56 1-Pyrrolidinecarboxamide, N,N'-(4-methyl-1,3-phenylene)bis- 1086.04 3040.86 925.44 2686.29 585.51 3790.62 2119.69 1348.86 1033.38 2309.98 2287.73 944.4 520.38 982.26 1190.25 1549.05 893.29 975.93 774.97 1129.7 1049.46 1423.76 1206.62 1631.72 993.48 1948.79 1028.28 1383.23 1703.03 600.32 796.76 711.81 462.84 2030 2464.25 1072.78 1324.86 3497.4 1805.96 2106.19 1835.23 2400.85 1179.92 1460.81 1669.97 1241.78 880.79 836.56 1168.3 554.26 471.03 2266.59 2244.32 2711.01 1363.48 704.64 849.73 2082.98 969.17 558.68 526.76 1725.59 2874.93 682.1 1145.15 1673.65 1827.95 1182.64 2373.44 809.78 840.54 1496.82 708.61 2052.32 2368.33 1590.93 1574.98 1671.31 1343.8 1673.23 1581.39 1671.28 1601.55 1663.91 3-Chloro-4-(dimethylamino)aniline 5684.41 4810.57 2589.55 2074.77 1157.24 2691.76 973.4 3532.78 7095.95 4163.69 1519.27 545.59 2017.42 2893.61 2807.93 3811.09 2529.77 2603 744.84 879.48 1927.55 2430.88 1398.98 2378.03 3215.37 6143.12 4740.87 2278 912.18 3277.91 668.15 1628.87 2757.77 1347.34 3095.16 2718.79 5806.82 1964.18 2756.62 8379.41 1578.46 2206.13 2386.57 2422.59 3059.17 1501.62 1987.2 2664.38 982.1 3909.63 2171.4 4703.67 2011.78 5579.58 5109.92 4514.33 2953.55 2507.58 2231.96 734.6 1414.63 936.24 5579.2 6298.53 2963.69 5266.16 2937.69 3985.18 4444.46 4767.03 5776.56 8237.35 4506.87 5944.85 4541.25 2833.44 2925.43 2917.15 2845.38 2868.13 2876.37 2926.37 2835.97 2834.54 1-benzyl-2-(chloromethyl)-1H-imidazole 67063.22 59285.62 75381 59435.36 73479.35 28842.07 46138.52 88228.04 84274.88 69933 14315.95 49647.41 64715.06 61529.32 63701.57 56259.28 52027.96 62870.24 77303 55966.58 64145.75 34141.07 55821.53 67316.14 78125.21 80704.34 77336.4 75792.56 82893 48504.68 50979.76 65982.27 48373.57 79086.31 58534.36 88907.06 60816.02 19250.61 57908.46 45887.64 38666.95 52924.27 65256.23 54284.08 68158.38 37563.43 81303.27 68495.25 33956.72 46982.37 43270.56 49968.76 58498.99 36393.35 41463.13 62008.31 54330.63 49779.08 57828.81 25622.51 49968.76 52254.05 55738.11 54112.99 61637.73 60756.41 46764.65 82171.78 63076.89 67505.56 51458.91 49436.27 21633.65 33597.24 48226.27 59470.68 56943.95 56402.19 56403 56419.59 56492.27 56812.39 56418.06 56952.16 Dihydrozeatin riboside 29702.37 30867.49 8740.45 1553.95 39883.32 13911.72 16629.46 44938.19 40224.98 18506.44 7629.62 10260.64 13944.73 13288.15 34480.3 21066 13501.25 30280.08 20335.8 25244.73 10164.09 11495.49 6681.12 21331.83 35854.76 37909.73 15282.42 18856.54 33342.52 9594.56 33403.76 12121.39 21477.8 18417.46 18125.14 27461.65 28436.39 20671.7 6711.82 18776.56 29427.8 30353.21 18516.35 12271.28 29409.54 29061.19 47652.32 11149.77 18627.94 17527.23 18788.7 28879.79 21326.52 21705.37 19696.92 23744.85 15192.66 17885.22 26394.52 18478.01 13391.55 1807.41 19986.27 17114.83 20395.75 29910.37 31730.27 2812.47 538.79 32864.36 30930.61 5294.92 19019.96 21224.61 16589.28 23399.61 22944.81 22943.97 23931.2 22147.89 22909.78 17032.32 22133.35 22084.19 Rubinaphthin A 891.41 1350.39 18994.51 6886.38 13830.01 33719.45 14972.6 10995.13 7012.26 7797.44 4398.06 3575.17 654.29 4080.21 8496.75 6375.48 2550.99 974.61 11654.15 2556.78 3898.97 66010.69 7952.95 743.88 9351.47 1159.2 5451.24 1581.46 3102 834.03 8732.21 13212.54 1115.24 3143.28 1196.06 5859.25 8206.01 49168.98 1463.65 1583.9 8814.81 853.08 1013.08 6450.64 8624.14 3798.42 2285.93 4010.77 5929.56 10791.7 6458.62 5013.51 863.95 3053.98 4713.11 3497.51 14206.17 12987.14 1976.62 56097.82 1338.76 1436.94 1141.36 883.05 1545.82 6212.78 6216.09 2656.23 1333.43 6924.95 929.51 3110.78 763.64 3871.88 3244.17 3821.2 3260.27 2104.49 2996.03 2979.7 3485.51 2844.83 2846.67 3408.73 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-furamide 1260.21 3965.5 1251.29 1360.25 2819.8 1823.97 2427.3 1639.72 6826.93 2683.8 1461.66 1115.86 955.7 1513.5 3704.18 1701.29 963.5 4102.87 1564.53 1370.83 2004.11 1166.78 1285.04 2225.65 2645.79 802.08 1133.67 821.16 586.53 1823.19 2198.58 1009.3 1962.24 1773.54 1400.69 3120.11 3272 2506.06 1488.02 1986.51 1423.71 1833.5 1825.12 1322.25 928.69 1195.43 4503.53 1595.42 1302.7 922.95 1749.37 2207.69 879.22 1311.41 3400.73 2983.9 819.78 2388.16 1924.86 902.57 1514.44 2224.32 2565.91 1035.24 1928.05 2310.46 3830.41 1582.97 4016.61 1339.9 6271.4 5338.23 2412.34 2157.61 1591 1411.66 1505.47 1418.28 1162.24 1520.88 1240.02 1504.31 1438.43 1544.55 Acromelic acid A 3148.41 709.34 689.62 1101.76 1924.27 1173.95 589.89 2491.7 4468.33 990.01 852.42 1014.6 897.2 493.67 2442.65 1283.33 1926.55 901.57 1020.87 2506.61 1602.12 504.27 627.92 555.9 2399.72 1735.34 790.2 546.32 1086 521.36 2633.64 1350.89 1444.68 782.8 1108.4 1874.03 3041.22 1754.39 1720.59 1729.97 1372.99 817.83 1089.51 1421.03 1611.83 407.3 2504.4 1570.63 1153.9 2214.43 1660.53 2306.93 1322.21 1616.76 2760.72 2168.53 726.7 409.42 1746.64 720.93 600.96 520.08 1099.29 1198.08 2021.86 2169.21 2851.38 502.22 1920.3 2608.89 2934.26 1250.42 1670.38 1157.76 1125.19 1784.27 1755.13 1119.95 1729.96 1704.2 1640.82 1628.96 1727.51 1647.87 Flazasulfuron 14305.74 14059.14 15516.07 13412.07 15358.69 7049.5 12411.19 20477.64 18078.32 15504.88 5434.35 12864.99 14225.17 15187.63 13726.99 11028.06 11329.76 15475.24 16493.74 12422.34 16413.3 8695.65 12852.79 14295.5 15718.01 15758.87 15580.84 15475.13 18796.08 10652.32 11161.25 14110.52 12232.92 16291.84 14173.68 18327.96 14130.06 4539.94 12383.93 10308.6 8669.49 10386.33 14960.48 11528.55 14854.56 8285.63 16939.47 14845.68 8450.15 10558.64 7823.81 11079.27 12889.95 8562.08 10194.12 10841.36 11881.04 10715.96 13842.42 6406.17 10737.05 10821.78 11465.97 12098.75 13814.49 12233.68 9681.84 16912.94 12618.53 16057.91 11947.36 10590.57 6314.39 8415.6 11360.07 12306.15 12095.61 12501.2 12304.45 12690.05 12303.72 12319.82 12418.16 12300.6 Lomustine 3813.1 2133 7428.85 5826.72 2975.81 5580.76 10061.41 9692.38 9924.34 7064.76 2833.01 7116.62 3908.29 2398.47 6652.61 7708.62 8037.12 6698.95 4024.14 9264.53 6823.91 5064.41 4235.87 6616.47 4273.14 4121.14 3163.1 4065.32 8092.88 4127.57 7309.53 5016.79 7291.3 4189.72 5375.53 8822.63 8689.67 6065.02 5259.47 2581.7 4098.17 7019.43 2928.08 2013.83 5692.87 1771.9 5433.63 2114.12 5188.86 2964.52 3488.88 8002.66 5641.66 5031.35 4437.84 5562.29 5651.38 2015.66 8684.11 1714.26 5855.46 4292.82 4413.01 4589.29 10116.98 1557.22 12162.74 2126.35 6569.54 9484.96 13127.59 5277.6 5374.72 3102 10022.57 5161.63 5013.66 5340.94 3559.56 5318.59 5320.02 5548.95 4752.02 4937.15 4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione 5783.68 16559.72 10562.64 4322.63 3676.61 1770.72 4925.08 1808.06 540.34 1526.06 1846.67 9149.59 17605.49 3891.08 2748.21 2247.1 6949.54 2582.27 8391.03 4123.95 4816.43 3547.93 6504.37 8227 8133.76 3290.88 10175.78 6122.84 3911.46 13637.68 6795.24 5029.21 2384.22 9983.05 3616.05 14356.29 5223.52 2436.18 8989.45 22853.41 13545.27 4599.35 2680.79 4970.3 4865.17 5199.2 2858.2 4933.59 8680.58 2891.56 6362.11 3363.13 2329.09 4633.91 8096.83 8588.57 5831.34 6338.68 3900.01 4124.65 6491.33 15926.52 2933.74 936.48 1808.67 8418.74 5786.13 10114.46 20500.85 3926.15 1823.81 3455.56 4494.92 3717.32 2735.9 4724.45 4000.54 4553.16 4718.06 4561.01 5002.31 4537.65 4617.11 4743.49 Brimonidine 2683.91 1588.09 6039.36 18987.52 6183.71 9381.98 19822.65 2153.04 2186.07 2385.41 5645.68 4655.93 7126.96 12362.02 3003.29 6471.31 9100.83 3030.32 6635.08 1793.47 4547.02 3973.54 10411.09 14573.68 3286.5 2228.68 5434.35 5544.16 3517.39 4738.26 3195.58 6861 1625.38 10386.94 13518.72 2184.21 3202.19 3466.68 17415.73 6564.49 5356.3 4830.44 10105.56 17551.61 2608.7 8475.53 1943.55 3942.03 3978.07 6591.48 5035.57 2310.09 9597 13323.3 7591.35 3059.09 11593.88 7479.87 2631.47 7418.25 8528.56 10623.1 2880.67 9061.14 1201.43 5445.55 2032.22 5561.9 6634.85 2684.91 543.52 11177.19 6861.43 13601.52 17901.55 9590.74 9579.12 9549.4 9665.46 9632.3 9579.54 9660.4 9663.58 9761.41 Gluconapin 1615.33 1144.88 1347.64 1517.06 2006.2 2117.99 2184.73 3170.52 2226.82 1969.17 864.49 1835.83 2073.93 2989.33 1782.98 2995.93 2452.54 1368.18 4195.62 724.07 2353.71 570.98 1872.66 5013.82 4244.11 1743.36 3278.4 1508.13 2373.86 900.18 1682.96 2388.53 1346.25 1113.7 4136.74 4114.09 2758.94 1749.47 3370.17 1720.88 1718.53 1410 3224.68 1733.22 1272.78 1831.81 1833.6 2590.49 1166.67 2228.55 1965.69 2549.04 2400.06 3879.4 3023.5 1771.94 2429.65 1124.98 2438.03 2161.18 1781.22 2576.16 2225.92 3350.78 2726.65 1133.56 753.86 3296.92 1383.15 4874.32 3782.7 2113.66 757.35 655.07 5553.43 1706.42 1869.38 1536.44 1707.32 1714.66 1972.95 1803.9 1684.63 1797.34 2-Bromo-N-(tert-butyl)propanamide 644.59 1191.03 772.38 758.3 581.15 683.29 946.15 1594.45 782.81 560.57 1761.31 885.86 787.03 1171.4 1158.49 582.68 801.51 1256.18 965.97 784.05 1466.31 960.67 1051.88 822.16 775.13 1055.51 1148.97 951.93 1106.68 674.58 891.79 756.37 829.15 1116.96 869.9 1100.22 527.54 682.64 1123.24 1144.86 648.28 1078.9 1068.02 913.75 752.77 907.63 548.18 1114.13 489.89 670.44 870.99 562.6 793.31 998.75 1538.19 814.6 962.47 1016.01 798.77 726.42 771.1 701.54 1156.34 1092.36 965.86 807.34 1088.2 594.23 778.44 848.55 1211.16 919.19 885.64 647.43 815.15 1663.77 3883.68 1693.31 1905.43 1661.11 1845.53 1503.79 1656.82 1681.85 1471.58 1783.79 1776.95 1751.7 1069.95 1568.2 1108.98 1485.95 1692.96 1723.2 1260.63 1237.46 2074.29 1412.61 1870.21 1613.03 1478.07 1530.99 1475.83 1534.23 1536.68 1489.7 1442.21 1531.56 1635.51 2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium(EDDP) 512.57 540.29 395.43 3374.14 23199.63 26358.01 25415.85 738.08 566.86 396.6 283.71 745.89 4702.85 683.3 616.57 518.78 1087.47 502.88 432.53 362.77 508.53 406.57 857.55 1479.43 377 384.33 404.94 356.62 461.42 442.42 485.03 721.68 323.89 859.64 1688.27 477.47 260.47 2626.77 1177.79 544.89 10931.8 1741.23 1148.88 691.9 1061.08 5448.75 342.12 594.41 284.12 1909.16 1662.39 882.45 1162.51 2482.11 3334.82 919.84 1771.7 1356.34 274.76 2247.28 813.92 3011.84 958.82 1604.55 400.92 2442.02 1283.96 964.28 1161.95 519.91 512.49 496.4 773.17 1120.43 731.5 7050.52 6771.61 6142.02 6306.91 8816.27 6943.81 6659.49 7152.69 7404.88 2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-ethylamine 1760.58 2780.89 2099.71 2397.11 3660.02 1975.35 4114.46 2849.17 960.01 3114.27 2753.69 3271.38 4538.15 3304.59 1756.33 3395.82 2680.59 2026.2 6694.83 1413.75 578.31 4198.61 3042.56 3628.66 2511.97 1191.39 3393.96 2401.64 2714.9 809.39 1430.37 1899.93 3742.52 2865.07 3024.71 2505.08 1476.17 2140.7 2848.07 3221.84 1202.05 1050.59 3541.38 2564.42 2003.23 2533.83 2590.25 4440.62 2736.22 930.43 2062.73 3158.17 3597.37 3013.44 1280.62 3210.62 2581.93 1777.12 1176.04 2549.77 3329.09 3633.34 1978.27 2098.1 1097.91 3551.06 1400.95 2463.43 1991.96 2016.87 1414.68 3083.15 818.91 2962.61 2427.33 2648.67 2699.54 2610.43 2609.93 2642.76 2852.74 2693.32 2342.15 2612.22 Benzofuran 4073.91 974.29 1176.16 6289.38 6227.51 3977.41 12465.36 8605.94 6025.06 7636.33 1002.42 4736.77 2854.39 6813.08 7398.83 530.47 5298.38 5977.13 3750.75 7628.77 2532.65 4173.03 7971.37 8103.23 5600.99 4013.24 3586.82 5454.41 5922.2 1064.42 6011.96 5802.23 5039.19 2808.45 3201.63 3509.6 5857.69 3890.24 4865.45 7023.64 798.42 2979.62 3038.98 1603.75 3858.09 9045.69 7214.59 5635.37 8234.95 6772.78 7901.47 1883.62 8764.83 11262.03 4566.51 1506.34 3537.02 6915.44 2438.65 4548.89 5167.95 2532.69 6633.75 5943.95 8529.04 6226.08 2127.63 5369.15 1393 7570.44 3962.87 3413.22 9511.77 11140.67 5887.49 5537.42 5709.84 5267.08 5329.7 5321.49 5502.45 4694.9 5620.34 5304.02 COUMARIN, 7-HYDROXY-3-(p-METHOXYPHENYL)-4-PHENYL- 1903.25 2145.37 1637.88 1504.86 2459.22 2926.79 906.7 1723.65 849.15 2396.93 1907.7 3078.79 755.85 2919.73 1229.69 2330.6 2520.45 630.78 3107.27 809.48 1373.09 1623.17 2445.83 2400.06 1679.48 1074.18 2551.6 4021.35 1871.85 1724.46 985.68 4700.93 1151.99 1646.43 2304.57 1802.54 1199.47 1618.42 3678.36 1776.87 1671.99 2248.11 3532.53 901.22 1057.99 1818.31 1209.21 2999.07 1215.71 850.19 914.6 672.93 1219.72 1226.91 1043.93 2643.72 2058.35 1617.2 1729.66 1520.98 1807.17 1113.02 1524.57 1285.59 1625.94 1402.94 1413.95 1617.67 2891.92 824.62 1756.65 2229.63 631.34 1876.91 2635.02 1161.51 1369.59 1388.21 1372.03 1285.77 1371.51 1381.3 1275.58 1346.22 Stachyose hydrate 2351.22 3670.72 4920.84 2484.68 2083.72 6403.92 1162.72 8868.59 2493.6 1669.53 578.42 1827.55 672.58 2669.53 3392.85 5448.9 2679.17 1280.74 1489.04 2595.81 2306.93 3138.8 631.25 4114.33 865.23 3902.48 2547.76 1272.3 3481.07 494.82 515.21 3971.82 3020.19 2322.32 909.29 3013.42 4028.95 3255.06 1663.16 2910.46 5293.4 2442.57 562.98 1606.75 2896.8 1329.06 6336.49 2069.89 2285.37 4289.48 4444.44 6414.48 2158.04 2703.69 3442.85 2975.69 1543.98 1990.79 4968.33 2311.75 2117.47 3807.72 5126.26 3799.81 2571.46 3409.32 8103.23 961.79 1308.9 7226.73 5412.44 2209.56 858.03 2481.38 3952.02 3305.86 3018.64 3408.36 1059.28 2969.52 3151.64 3011.52 3144.33 3238.64 4-Amino-2,6-difluoro-5-methylpyrimidine 1831.81 3137.89 1984.92 1980.47 1995.68 2916.32 2824.3 2319.33 1675.45 3309.94 927.08 3052.12 3745.67 2903.1 1788.77 3041.46 1923.08 2569.31 2376.03 1740.1 1697.11 3031.92 2660.32 3139.48 1210.41 2107.17 1219.93 1515.88 2054.61 1568.66 1563.97 3167.67 2886.61 2225.37 2980.4 3038.16 1879.56 2079.39 2780.91 2565.9 589.1 2103.93 2678.36 1908.35 2143.14 1198.59 2503.53 3358.97 1359.56 3137.19 1392.26 2461.53 2530.45 2505.6 2636.1 2883.89 2980.43 2958.79 2511.99 2373.98 2758.98 4123.84 843.8 2121.11 2697.15 3040.78 525.07 3125.33 2425.44 1237.7 1527.75 1341.55 1938.14 2995.08 934.41 2604.23 2500.95 1875.11 2607.87 2611.25 2587.26 2504.16 2543.85 2561.12 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)- 2961.3 1330.7 1217.95 1140.58 2455.19 1778.73 1989.18 2422.8 1696.36 1294.71 981.83 718.78 1487.77 1029.24 796.87 845.93 640.91 577.75 545.22 3810.56 1635.05 885.26 1336.46 1657.08 1450.59 1414.12 696.47 888.54 2057.22 1620.49 3318.64 1680.98 1241.85 1336.71 529.72 2024.32 1577.14 599.97 704.56 1254.95 2938.51 2482.29 1108.32 1115.81 1167.24 1339.35 2375.44 559.52 1054.08 1048.77 2258.94 1576 1010.07 1238.06 802.26 1263.37 1199.43 976.25 1477.74 1213.25 1137.6 1085.08 780.25 981.98 1601.46 953.51 1134.68 1499.18 875.19 2509.98 1798.99 718.78 998.85 1085.26 1343.9 1099.07 1137 1011.76 1131.46 1060.72 1128.77 1177.92 1061.62 1080.08 Ethyl 8-chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxylate 559.38 472.2 651.38 497.93 610.27 1037.38 914.58 399.11 457.93 422.87 713.36 547.05 966.61 808.24 2635.75 422.95 389.06 1043.54 417.82 664.83 828.03 880.68 449.36 1135.36 854.93 667.76 478.97 571.92 656.19 1221.69 821.09 749.83 649.6 382.78 962.24 935.06 2245.59 423.32 920.05 996.31 1013.86 495.3 1316.32 866.39 1544.78 544.46 1061.92 573.03 996.19 1040.23 1115.36 516.5 381.16 1001.71 435.2 421.18 723.19 2029.84 766.61 527.76 1039.07 1002.83 2652.35 1352.33 679.29 447.83 856.53 1020.06 819.95 2590.69 726.53 396.09 763.9 714.68 786.96 1051.63 1071.66 1087.44 1011.37 721.17 1069.31 1015.78 1069.88 1077.63 Penitrem F 1342.62 1420.32 710.25 852.31 1126.26 992.97 1945.03 513.63 2410.28 881.08 980.34 756.13 828 428.3 1053.11 472.83 1021.99 1943.07 675.83 3024.44 1399.31 950.8 777.46 948.08 1135.13 550.17 805.24 866.96 1404.44 1041.32 940.62 1044.6 541.19 893.6 957.14 1211.76 2172.52 457.33 936.22 998.3 918.82 568.72 500.2 1204.04 889.95 1192.61 1343.3 2290.67 1336.11 835.62 1071.29 1039.65 1009.53 849.57 647.34 1459.17 925.24 924.93 617.58 890.32 717.94 829.93 1277.87 1066.07 908.53 1038.29 1101.47 2042.42 1073.91 1356.67 1385.85 952.15 1635.64 1466.71 1216.37 1363.87 1229.5 1235.41 1149.71 1172.84 1165.5 1229.64 1204.28 1124.26 Opiniazide 3597.92 3413.18 938.95 1964.23 3491.21 2355.78 3742.55 3118.31 7853.27 1002.71 1919.77 2423.6 744.94 846.54 1365.47 4179.68 1255.92 3011.26 10596.12 4489.91 2838.88 1177.14 1702.63 716.56 1882.11 3582.11 3368.18 4990.51 1622.21 672.68 5023.82 2441.83 1901.07 2424.93 4395.56 2400.98 2948.6 2711.98 7070.27 1619.38 8407.83 3882.08 3459.54 1554.72 3372.4 2346.63 2266.29 2494.13 2739.58 1736.43 1161.18 5669.01 3166.43 2333.54 1046.35 2800.74 967.9 1581.15 2944.1 2511.62 726.71 2037.17 2386.46 1738.86 1634.01 1412.46 1818.8 2983.72 4800.3 3346.4 5710.99 7211.19 2198.34 1603.7 2645.32 2706.49 3044.25 3317.3 3197.13 3189.83 3247.68 2831.31 2861.51 2801.33 5-fluoro-2-(piperidin-3-ylmethyl)-1H-benzimidazole 6753.81 1058.13 1366.56 1111.89 2344.18 1272.51 3105.37 2937.2 4667.93 791.1 2199.17 4599.83 2292.75 1769.59 2975.21 4485.21 659.08 1925.59 3074.85 2724.19 1384.57 853.9 1586.05 1778.74 3288.38 3894.11 3159.16 2054.27 808.94 5874.16 9777.61 1638.12 5611.85 2229.27 2175.09 3089.67 2240.64 1988.63 2415.77 2014.21 2719.92 795.97 2312.79 1171.24 1419.32 2764.17 1804.3 1480.75 2488.51 1487.4 4826.37 1577.78 4734.26 3016.67 1392.28 1098.53 1713.01 540.87 2104.58 1462.1 1342.45 1846.58 2211.03 2385.31 1762.38 5108.27 852.36 2417.07 3370.14 1605.7 1277.76 2573.9 1116.21 1814.07 2373.04 1414.62 2910.38 3035.14 3205.94 3291.76 2671.94 3038.75 2401.99 2548.76 N-Nitroso-N-methylurea 262.88 299.56 44.95 44.95 618.19 44.95 44.95 224.75 44.95 704.23 556.15 1231.48 804.7 363.3 527.16 347.32 44.95 270.44 733.04 564.9 44.95 275.43 338.5 684.85 496.51 44.95 557.38 653.63 901.81 44.95 269.01 725.33 662.51 61.63 44.95 46.63 44.95 44.95 591.19 44.95 44.95 44.96 743.66 47.65 44.95 83.22 763.56 814.17 44.95 44.95 44.95 360.14 44.95 107.58 107.58 44.95 45.18 44.95 44.95 107.58 258.21 686.39 107.58 56.63 44.96 329.7 46.79 770.86 44.95 299.89 52.63 1041.23 48.86 69.31 45.49 107.58 166.42 107.58 107.58 107.58 107.58 107.58 107.58 107.58 N-(3-acetamidopropyl)pyrrolidin-2-one 868.62 1328.7 728.74 1128.35 1530.75 1090.13 580.8 3484.99 1480.29 405.17 445.37 1110.69 757.26 615.11 975.94 1116.42 1242.48 1306.46 1028.95 2099.48 2655.31 887.3 408.27 875.02 1045.16 1290.83 1374.02 670.11 2214.16 772.96 1733.86 1107.21 867.91 1393.92 475.65 327.37 974.32 1234.19 484.66 1563.18 2162.58 1616.85 825.41 536.2 1032.22 982.77 1192.2 1174.97 805.63 2052.06 382.53 728.79 1046.23 958.33 504.02 946.48 809.81 643.31 797.57 674.3 776.96 850.26 1168.28 1624.57 914.32 921.9 2152.66 1016.17 1301.68 387.67 1440.22 2494.1 1108.87 1107.99 1041.07 1405.58 1464.95 1100.25 1379.97 1463.94 1361.33 1368.95 1615.66 1344.18 1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea 3795.86 2532.42 2146.83 1518.06 1332.15 2167.39 2716.01 4214.7 1547.88 3861.76 5288.85 1399.17 976.11 3048.76 3715.36 1485.6 3496.21 1175.28 1365.12 2462.54 4637.51 2997.03 3432.92 4171.83 4087.85 1807.76 2410.57 3812.16 3148.47 3250.75 1873.47 716.01 3011.98 1849.82 4309.73 1811.98 2746.98 2332.91 3452.71 2951.69 831.68 1728.99 5260.87 2374.8 2370.42 1542.59 1829.09 3578.67 607.43 568.32 2727.24 3493.87 3187.62 2880.08 4100.7 1017.93 4492.37 2704.45 2219.7 3571.03 3905.09 3496.32 3420.43 2225.89 4788.13 2410.24 1796.52 3436.43 3769.31 2043.13 2177.49 2070.33 3120.82 2456.42 1707.34 2380.99 2387.48 2409.92 2318.4 2128.23 2423.17 2631.65 2151.59 2426.54 2-(2,2,2-Trifluoroethoxy)ethanol 2370.16 2822.97 2946.57 2235.87 2060.01 1071.83 3367.09 1623.13 3441.54 698.59 1743.96 2287.08 1872.08 1322.57 2101.9 1436.79 1163.48 2346.76 2085.78 1278.57 5530.18 2889.84 1168.82 2926.53 2717.36 2864.84 1069.05 3339.43 3528.58 1799.89 1748.27 1825.37 1744.32 2514.6 2729.51 3984.16 2847.09 520.89 1757.62 1356.74 1378.44 1477.68 2452.93 945.8 2645.62 1169.95 2441.52 3519.13 1090.74 1558.08 997.12 2240.3 1549.45 1486.46 2076.78 2724.73 2508.42 1367.39 2172.61 975.48 1831.86 1955.39 1780.24 2694.99 1912.03 2973.59 2746.37 2451.21 2981.93 2810.25 1953.2 899.77 822.77 888.7 1485.09 2124.14 2052.17 2230.92 2064.94 2133.79 2129.44 2130.81 2039.94 2054.32 2-Amino-3-bromonaphthalene-1,4-dione 1820.14 1258.1 1592.2 1427.35 1972.75 1788.8 1733.2 2490.9 3605.15 3201.12 3977.51 4223.19 2390.69 2447.4 2124.81 2371.23 2613.68 2419.15 1801.97 2133.81 3441.43 5557.68 2789.75 1782.26 1565.27 2023.01 1095.35 1156.48 1221.48 1692.96 1590.75 1814.66 3301.25 1196.27 2146.34 1941.79 2040.55 2340.79 2066.49 1922.01 5293.26 5986.28 7655.99 7782.11 5347.39 3456.48 4982.13 6673.97 6565.61 4587.71 6471.11 4026.8 4283.47 3417.31 4724.71 3122.55 3579.57 3316.12 4159.83 3638.85 3964.12 4032.38 4238.73 4036.86 3737.31 2639.21 3182.8 3921.76 3423.39 3199.85 3626.12 3866.37 5873.74 6881.92 3543.8 2627.6 2787.99 2629.63 2872.32 2586.82 2899.06 2813.86 2557.03 2291.01 2634.69 1745.83 2860.55 2557.12 2344.02 2487.97 2450.09 2734.08 6535.1 2706.04 1996.95 1954.3 1968.38 1634.52 2773.01 1764.18 3556.47 3560.98 3655.99 3621.83 3552.77 3683.09 3541.07 3552.74 3504.96 Sulforaphane 4045.27 1401.18 517.39 606.23 1043.72 646.33 772.07 4588.45 452.62 387.55 1145.09 3434.21 503.34 2094.4 529.76 397.74 896.13 3344.28 2297.79 1435.69 3663.9 876.89 688.05 649.71 5749.54 1791.53 1135.45 2783.15 4079.68 5390.25 5295.27 2960.92 652.95 697.63 706.54 5914.14 2814.7 1044.1 1171.39 1709.58 6393.53 4465.87 335.87 1342.58 3616.77 713.85 2718.38 1271.52 3694.45 2240.13 3927.3 522.21 639.24 969.74 3263.81 739.71 540.41 647.07 2173.74 856.63 744.72 717.07 1010.12 800.56 1197.69 2969.73 954.49 2982.99 3083.07 2949.56 1094.06 1684.34 2575.8 477.42 700.62 2695.87 2673.16 2673.06 2697.82 2673.59 2681.58 2661.67 2696.07 2695.52 Momordin Ic 813.32 10276.17 1084.96 6785.88 4829.6 927.35 33196.59 7634.02 5685.98 1151.98 403.36 787.94 1414.27 1101.19 973.33 676.44 775.41 11749.34 2509.97 2944.45 459.21 434.48 8860.6 456.81 959.82 970.22 440.38 462.22 4825.98 1408.99 816.39 1411.77 610.63 23432.66 21335.97 5144.02 26228.49 28036.95 24633.09 19390.56 43899.51 26805.63 19267.28 15310.81 22231.9 23463.19 16412.4 9035.89 6284.6 2914.73 21316.31 33654.54 14411.55 28665.94 17041.22 24810.78 17239.25 15026.87 23044.21 28507.09 18288.44 22109.27 28688.65 20377.61 13921.11 18399.27 27031.2 12484.59 19378.17 24009.9 22451.38 33118.97 19837.03 19679.37 19831.63 22250.23 24073.98 22506.73 18671.68 22212.65 22929.79 22192.03 22195.49 22978.38 N-(3-pyridyl)-Indomethacin amide 8989.73 8263.95 12524.11 8876.29 8710.82 1064.22 9557.44 11603.12 10825.08 7775.71 2750.14 5901.26 7136.09 8880.14 6917.59 7350.07 7497.9 7367.22 9971.87 7503.23 9082.56 3537.58 6392.4 9235.1 9706.01 9378.03 8935.26 9825.04 11149.1 6153.86 6922.23 10489.54 4675.78 12812.43 9382.44 9458.72 7760.84 3837.73 10450.92 3848.61 5980.68 7185.88 9026.46 9858.61 9758.2 7073.17 9932.71 8656.82 5987.93 5775.52 7842.14 9817.36 9090.01 6285.97 5211.72 7153.82 7121.92 6391.21 7292.89 1644.93 9022.12 9040.09 7385.25 8405.61 8903.39 7552.99 5428.26 11361.67 8426.74 9922.13 6837.92 7697.64 5070.41 2093.26 9628.96 9150.55 9023.18 9154.14 8979.47 8181.03 8424.88 10193.37 9122.37 8989.56 N-[(15Z)-3-hydroxytetracos-15-enoyl]sphingosine-1-phosphocholine 9422.97 2325.36 1007.14 399.19 3080.9 2928.04 1953.39 15365.74 817.12 440.34 431.85 2330.97 11785.5 2445.42 1013.26 1315.48 993.38 355.09 1916.9 1395.13 3433.32 1484.59 2052.15 1340.75 2627.22 8630.91 1916.7 460.75 3190.94 797.23 4934.07 2481.6 1594.62 9385.91 7673.92 7492.94 10507.02 10449.16 7974.16 9818.72 5539.86 9754.46 20068.54 10860.28 13699.26 9849.31 11745.49 16468.38 7316.45 20727.84 5721.56 14690.27 16353.14 16039.37 11265.97 11783.16 4380.83 9544.98 10318.06 1783.86 12812.48 11111.43 9856.36 15285.28 11985.3 13811.22 11600.41 11571.12 7235.09 12456.5 13963.08 16131.62 17180.69 11713.62 14593.48 14907.97 11961.03 14659.74 14943.33 14163.77 15143.62 14517.61 16601.75 14147.53 Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 7736.93 992.33 463.72 1949.13 1592.76 435.37 3161.11 4415.83 4388.74 1625.68 2324.3 3163.97 2627.51 2088.07 5588.02 1672.99 2173.98 1928.4 2962.62 8828.56 3616.86 2536.22 753.88 4076 5322.88 662.53 520.77 2065.21 2069.73 2966.67 1938.43 2820.25 1084.46 3313.86 3196.99 3366.22 2971.76 5933.1 2254.17 3745.04 4764.45 3677.86 3624.37 4063.59 3018.75 4541.58 3782.67 3215.45 6420.68 2696.58 2068.49 3286.75 4797.34 6432.17 3785.41 6687.22 3393.09 3530.21 3162.27 4332.72 3484.3 2376.1 3632.03 3949.03 4057.52 4839.84 4560.54 4304.83 4226.6 4492.31 2943.04 7333.91 2814.78 4678.64 2893.51 3855.77 3973.85 3353.87 3976.24 3950.53 4000.86 3815.32 3789.18 4332.3 1-(Trifluoromethyl)cyclopropanamine 1704.01 2376.72 3771.53 3256.84 5653.99 8589.82 7715.88 6621.25 4497 3383.71 3791.99 4374.75 4005.02 3634.73 5826.28 5270.22 5185.48 2540.28 3944.22 4183.73 4579.05 1011.04 2565.49 3795.3 5986.33 2932.54 2020.39 3005.14 5452.68 2358.68 1553.67 1886.27 4229.83 5719.2 5270.81 4639.67 4552.12 5333.33 5230.68 6044.69 1529.57 2439.34 6582.62 3022.51 1863.24 6047.52 4032.54 4036.96 2375.7 4902.41 2785.05 3740.18 7678.93 6289.32 4813.69 4098.4 4281.78 7757.14 2526.95 1790.01 5888.26 2588.16 7131.6 10053.78 3387.52 4500.51 3274.77 3096.32 3900.81 5090.38 3261.37 3019.21 6283.92 5866.86 4916.07 4475.97 4475.49 4432.57 3840.12 4475.22 4477.46 4458.79 4478.07 4375.68 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- 736.02 1320.39 2745.89 1959.52 2870.74 921.69 5925.3 4118 1550.93 2415.06 2233.28 3514.39 6749.12 3195.62 3837.5 3410.25 1054.91 2078.31 2475.43 435.07 3591.15 2067.55 4539.67 3293.74 1773.57 1262.05 2893.75 1252.86 3108.09 1334.92 502.73 2070.97 2547.13 4664.2 3842.87 4345.63 2291.36 407.83 3546.53 2320.11 1076.01 2189.19 4280.74 4702.23 2250.6 4551.96 2685.48 1773.94 1630.52 3048.85 2190.03 2783.95 2254.2 3870.57 2044.13 1911.53 4010.17 3196.99 781.91 690.04 1717.05 3188.76 4600.96 2397.93 2176.93 3939.25 1353.89 5268.71 4235.04 4076.47 1043.75 2631.62 1279.36 3952.1 4998.12 3243.91 3368.63 3387.48 3388.63 2857.57 3299.89 3227.69 3206.24 3433.73 N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline 21565.05 33454.29 13100.7 17701.24 34023.66 45612.39 19895.45 37481.39 46190.1 23140.47 15416.02 20227.79 20615.56 20274.37 30165.34 19441.72 11688.29 29026.16 25793.41 44547.31 38854.93 18262.2 11544.05 14441.97 36414.08 54197.84 15683.57 18288.76 30092.2 9844.4 34003.5 7327.25 20795.95 18286.28 17404.17 32100.12 33150.39 32680.26 14351.39 15322.59 35048.16 39706.72 21758.23 19540.51 32417.29 13669.88 40280.96 18215.91 15544.41 22249.21 17619.94 28075.62 18167.93 17948.69 18748.97 30377.43 9215.07 16104.41 32169.31 15069.18 10398.06 13115.03 20917.19 14672.37 15992.15 27375.4 41275.11 19066.92 15873.55 55786.74 31171.37 25525.97 11859.21 18555.57 12148.13 25504.77 24216.81 25003.02 24991.52 27933.12 25782.04 26939.48 25002.22 26041.54 1-Hexadecyne 4549.68 3479.42 3346.69 3959.48 6779.66 8970.44 9609.04 5915.82 6557.44 4538.23 4341.43 7498.04 7726.03 4043.72 6906.57 7852.06 3904.73 5634.23 6998.32 7945.14 6429.06 2480.6 4241.24 5395.23 5402.22 6237.4 6171.1 6172.17 7250.01 6365.45 5138.18 5842.51 3627.07 7592.39 3130.7 5819.39 4270.8 5334.1 4786.42 5931.54 5932.58 8305.88 6215.77 3439.94 6672.55 7167.32 7225.06 7982.69 2864.13 9093.68 3719.39 4461.8 6412.53 6310.93 4189.09 4487.95 3396.37 3416.83 3241.38 4361.56 3856.24 4931.62 4731.56 6470.93 4250.48 6048.46 6581.15 6310.02 5938.92 4740.26 5687.36 7092.05 3844.13 4823.22 6532.35 5862.75 5890 5861.75 5433.09 5856.26 5769.11 5763.35 5868.99 5858.43 Norsolorinic acid 684.44 2026.82 4114.71 6251.48 1972.57 1522.07 4027.55 568.8 3414.27 1696.76 2545.65 2392.98 4903.99 4207.94 1737.93 915.88 2791.98 789.99 412.53 611.82 1041.21 1721.83 4882.95 4484.89 1107.88 564.83 604.67 417.12 1026.04 1501.44 1396.83 5426.34 1798.19 4431.88 5905.36 650.47 1429.9 6687.37 5082.81 2409.47 1813.24 1181.78 4952.96 6588.13 1127.08 8194.1 1059.66 1574.8 1533.56 1283.67 1165.4 1397.51 5859.04 4797.85 3044.39 1015.05 5886.7 6127.56 906.13 4868.95 3839.95 4049.65 1165.69 8340.47 2737.01 2584.56 1103.81 1249.91 1327.84 1538.38 718.58 3154.62 5893.66 6155.36 9127.06 3418.13 3300.1 3235.7 3373.7 3427.36 3369.93 3426.51 2937.74 3417.29 5-Chloro-2-(methylamino)benzophenone 2864.26 7514.86 3560.36 2068.58 5745.84 8926.59 4573.83 2303.67 4250.87 6337.79 1188.75 2327.39 4855.84 3316.49 2689.16 3552.44 4807.71 2868.75 3982.42 2328.81 1008.2 3169.31 5146.7 1692.33 3646.85 1890.58 3670.85 4164.9 3386.14 2789.6 2253.4 2161.95 3472.3 6666.24 4796.28 1887.05 3578.39 4545.25 2229.87 3641.78 1888.7 1373.25 3633.36 1157.73 2563.45 2737.68 1559.44 4922.72 3090.89 3039.76 945.69 8840.51 4529.97 3132.15 2170.62 5981.2 2859.76 3887.13 3524.42 4776.21 4210.93 7469.05 2523.14 3937.6 2598.84 4509.6 1177.59 3762.07 2357.04 1611.32 5010.09 5698.81 1766.7 5544.96 2381.21 4112.59 4094.7 4106.64 4298.26 4109.72 4154.63 4156.88 3965.21 4072.75 2-Methyl-1,3-dithiolane 15466.38 14373.73 17438.5 14093.13 15180.34 10752.51 5169.89 8571.96 17069 16083.92 3215.83 13325.01 15198.24 14610.14 10976.78 13883.34 12830.17 13606.52 15794.92 7674.53 5890.6 9928.25 13171.44 15201.82 14363.31 16490.61 15606.48 16284.49 16872.71 12600.13 11696.5 14645.51 12134.57 16810.05 13790.29 16142.16 14852.57 7994.52 13594.93 13813.93 10860.04 13644.23 15865.76 13800.41 14337.2 12081.33 16877.42 13694.62 10783.29 12837.72 11703.86 12365.78 14317.76 11411.43 5141.93 13127.53 13867.24 12354.6 12690.77 9407.06 12854.17 12991.8 11640.27 7661.33 13727.17 13825.99 12522.67 16725.96 15100.62 15055.25 12887.27 13057.18 8363.63 10322.78 13870.15 13784.02 13576.51 13541.25 13545.12 13651.12 13545.21 13652.67 13650.65 13546.84 2-amino-4-(4-methylphenyl)-4H-benzo[h]chromene-3-carbonitrile 858.78 2155.59 4859.65 3404.45 2305.8 1773.26 6997.57 1059.14 794.19 3729.58 2620.64 5118.1 5021.42 6862.22 5561.61 1077.01 3812.69 3731.53 2805.78 1869.28 4709.49 1724.89 3880.32 1467.97 612.65 723.7 2516.52 511.32 934.7 1471.28 1880.96 849.51 1046.29 3402.94 2604.2 720.9 2280.46 1889.92 4564.99 2741.86 2223.98 1502.86 2497.64 1087.18 828.78 2597.59 812.37 888.51 705.76 2846.34 662.33 2553.44 4279.03 2935.68 6481.61 3322.33 2473.06 1913.98 1650.03 1028.9 1070.22 3644.96 620.12 3774.74 2773.11 2441.98 2904.22 1607.93 2543.5 2345.47 556.47 3522.32 3254.9 2370.71 2126.26 3214.67 1555.49 3280.87 2869.71 2628.37 3120.28 3099.03 2812.9 2911.73 N-(piperidin-3-yl)propanamide 9485.53 11691.62 9567.3 10424.21 9969.67 11513.41 15156.53 23794.59 9666.78 8663.16 10807.76 10137.19 8669.87 9067.85 9693.65 8154.45 7832.61 10366.97 7942.68 10445.39 15349.68 9175.56 5710.24 8009.6 10095.96 10075.3 10297.88 11814.16 9269.98 9158.77 9958.73 9428.83 8831.61 8595.13 9057.31 8765.03 9769.48 9397.63 7405.59 9377.93 9559.53 10144.4 9842.21 9606.75 9669.04 10767.24 9450.15 7455.49 9810.97 8121.32 9845.73 10107.25 8787.09 9914.08 14949.32 7302.01 9034.53 8038.98 10043.24 9340.16 7601.44 10372.21 9118.02 8579.28 8132.95 8721.57 8569.02 9701.5 9705.58 10551.76 10885.85 8294.1 9319.15 7448.75 9976.3 6176.74 15918.22 5974.26 6125.69 6316.76 7007.66 6216.01 5958.98 6311.67 6239.22 6873.59 5866.62 6966.06 6032.44 6316.02 7142.98 6084.44 6275.92 5912.07 6096.59 6021.59 6072.02 6797.35 6010.26 6345.38 9436.33 9272.74 9688.47 9451.38 9395.33 9255.02 9361.03 9445.56 9109.63 Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel- 10833.49 6962.68 14208.55 6881.54 4395.46 6686.5 11045.78 17921.5 6600.09 7187.07 14561.11 8909.04 6234.77 5801.49 10031.74 10611.29 7143.5 8133.18 10232.17 7319.81 12124.19 7116.92 4897.38 8477.12 6813.71 8805.7 10112.42 10695.27 9383.03 7776.82 8536.43 9955.21 8447.35 8486.34 6981.19 10564.56 11307.2 11647.1 8766.12 11116.07 1939.52 8681.17 9857.95 8114.34 8059.63 7316.08 11315.58 12851.64 13195.1 9468.43 10296.54 2190.87 7702.4 6350.46 13429.4 9564.76 9278.44 7337.19 10615.56 8451.37 8116.04 8683.09 4264.75 9445.52 12079.79 9388.98 10301.85 9026.89 9325.64 9219.49 10034.74 10522.28 10802.28 5989.97 10546.19 9097.24 9557.26 9504.73 9548.37 9039.31 9517.17 8981.75 9580.64 6358 Methylrosaniline 1477.18 1308.85 26891.77 1354.29 3771.53 804.93 19300.59 39350.53 10621.12 81570.29 21369.23 13904.26 47550.8 12129.24 25340.59 30703.6 30626.07 2345.77 24394.25 18919.35 24843.44 8237.93 9106.6 28440.22 30525.98 12243.33 111579.6 15670.3 34420.93 2783.54 11905.75 13669.9 23226.77 25907.17 15365.83 44824.72 13450.52 16222.57 99327.4 13621.13 10463.84 30066.11 25673.67 5645.12 22892.99 17719.53 33195.58 32803.05 19711.64 19234.11 14717.99 10197.17 17406.81 15128.94 22333.47 13164.37 61871.83 5829.96 27409.7 21465.73 8650.48 30429.31 19876.27 18974.94 13314.07 26276.65 12638.64 23532.15 15881.44 38593.93 44955.51 42958.95 25127.19 16881.12 19208.66 24736.51 22298.77 22330.57 23536.22 23553.69 22576.22 19135.66 23872.62 22524.69 Multigilin 872.35 3736.46 3677.94 7249.19 1009.36 1342.54 7127.27 1046.45 3107.15 3349.98 2985.92 743.93 611.52 3174.43 2571.67 3892.07 5224.2 1247.37 5800.14 1620.68 2914.91 1688.76 1329.77 5761.37 850.3 747.06 5274.56 2935.12 1941.25 881.54 3350.87 3089.66 589 2951.12 5365.21 3563.84 4304.35 3648.32 2821.75 6899.44 945.33 1783.77 6196.68 3369.02 1911.82 1167.3 1809.31 8000.39 5777.92 6884.15 2092.26 533.19 688.33 3176.46 3696.76 2527.83 6741.29 6950.94 1421.32 5356.62 2200.26 5452.65 4201.36 6103.48 5688.32 2799.09 2849.09 5338.22 4864.02 3601.16 1906.38 4083.41 5890.71 7008.22 4173.43 1837.06 3147.44 3158.37 2939.5 2855.6 3309.64 2981.19 3081.03 2978.04 Carpipramine 471.35 545.2 281.36 609.53 357.14 979.22 1638.17 3140.2 2241.89 985.26 358.52 453.37 636.48 374.17 510.71 198.2 226.5 318.77 978.25 379.21 1554.69 500.02 351.46 262.39 385.74 640.92 306.74 120.1 361.29 366.95 723.75 943.36 603.87 711.09 762.19 7500.8 3979.06 5408.46 563.96 262.15 5665.35 8160.78 292.25 330.79 9248.54 689.91 8314.04 6861.03 3225.37 1375.42 10025.58 3869.45 1084.33 1395.62 7919.34 2682.39 493.17 149.67 8683.28 4246.48 767.27 1111.75 5162 852.78 419.7 6400.19 4686.55 224.39 425.41 5712.66 3960.13 1053.87 500.16 243.2 305.11 3972.46 3892.6 3966.6 3783.56 3575.26 3273.7 3945.39 3976.01 3972.88 Oxantel pamoate 5302.02 5631.68 3438.09 1140.77 3871.55 5855.54 3883 3739.18 3694.15 3343.88 3582.33 4054.93 2742.26 1822.44 3064.07 2662.78 3433.21 9148.82 4176.25 5603.34 3421.66 4761.39 3138.27 2825.41 11663.97 2958.19 3842.09 3811.48 5986.63 1757.47 4198.55 4010.84 443.48 2611.64 4327.86 3912.72 4228.95 3803.79 1519.21 3698.28 3640.02 3848.64 558.73 2477.5 670.76 1788.53 3364.84 3797.63 4118.36 1128.44 5860.06 3733.32 5160.19 3156.74 6657.74 11164.97 2859.54 2964.67 684.7 3269.24 3405.34 2844.02 6756.66 5024.71 2387.08 1984.14 3106.91 3316.74 2357.32 1117.75 5820.83 487.65 3895.78 5089.05 1752.37 4451.39 4762.61 5025.23 1926.79 4444.61 5248.3 4915.77 4526.02 4536.95 Acetoacetamide, N-(2-benzothiazolyl)- 1931.93 2861.3 658.11 2637.04 3588.84 1505.78 4707.13 3991.53 1001.01 1695.33 1492.27 539.92 3467.13 3371.74 3775.19 3007.7 3127.71 3083.05 5172.77 1787.16 2131.3 2254.7 1977.45 2158.29 2898.33 3710.05 2558.68 3157.62 2981.49 2083.29 822.98 3129.14 3522.04 800.16 3043.87 2647.41 2224.63 1229.47 2435.19 1901.97 2027.82 2868.01 3310.82 2978.78 752.67 2396.61 1588.62 3646.8 1230.07 3184.45 1027.61 2231.66 2539.19 3568.42 2137.34 3330.75 888.1 1453.74 2136.67 559.73 1082.47 2689.43 1977.51 3166.79 2341.66 1722.9 666.74 3643.03 2909.82 3735.77 3256.81 2316.68 1254.3 2400.72 2949.48 2595.83 2599.3 2607.2 2365.31 2597.2 2642.39 2597.94 2652.32 2648.36 Purine, 6-(o-nitrobenzylthio)- 22448.08 23236.68 26402.45 20384.92 16392.38 10353.24 17646.45 28674.66 28512.12 23356.01 3062.79 12934.75 17813.45 21120.71 20034.63 19665.19 16440.24 18508.2 18754.07 16455.87 20717.08 8737.86 13947.18 22241.8 28725.12 21485.62 29203.47 29658.43 31369.53 18119.41 19119.95 23778.17 12663.51 27128.61 21452.39 32785.19 24295.45 7127.75 20426.23 17339.84 14236.72 17188.37 19134.17 17704.7 22599.38 12677.46 26757.26 25350.39 12304.22 17298.74 13362.25 16762.57 20377.69 14591.08 15907.86 21096.68 19834.79 17135.54 20014.75 9632.32 19257.93 18447.56 19277.16 19788.09 19518.6 21557.23 15955.12 30646.58 26706.79 28520.94 18968.04 17966.32 8431.68 11235.12 19225.04 20421.62 19793.51 19811.87 19320.54 19605.96 19579.14 19337.62 19813.42 16916.49 5-Iododeoxycytidine monophosphate 2855.69 2521.73 3463.07 4754.66 1794.92 825.54 8018.38 1514.23 512.82 1448.57 2777.18 3151.39 8961.02 493.62 1617.31 2198.78 2037.13 1314.8 4614.44 1087.68 1089.68 7858.25 6595.53 1291.54 956.12 2101.95 3718.94 2406.78 1443.13 14105.51 3540.53 13108.99 987.56 7111.88 7176.14 4440.17 1185.74 3196.51 6410.9 5126.46 7947.45 2159.05 5123.23 6603.94 3448.15 9675.71 1336.37 2910.52 863.56 2421.18 2039.64 2180.99 5181.07 7429.33 3582.34 1609.47 2586.66 3699.95 1451.07 2842.08 2920.91 3987.2 2091.27 1011.49 867.28 3063.01 1882.81 6513.6 2432.83 1534.39 1619.16 7709.72 3306.28 9447.19 6344.57 2489.64 2437.13 2214.03 1593.11 2187.27 2528.39 2830.8 2477.28 2486.98 Cefotetan disodium 6988.88 6640.22 9887.06 3301.27 7979.14 5383.68 4492.6 10292.47 3565.89 1361.88 6871.49 1447.09 1682.9 4514.91 4242.4 4889.35 3514.52 2571.6 6193.66 1059.76 7044.98 3554.53 895.81 15176.91 3688.81 2010.7 2851.1 1308.44 1271.4 1037.5 1794.42 8636.27 3413.76 17725.77 28933.75 22427.34 22417.09 21919.51 23546.82 23287.86 23709.88 22307.76 23637.62 26243.27 12926.9 24320.28 16851.59 17029.57 124794.07 35144.85 22286.05 23380.46 20138.45 15180.65 23875.98 15376.17 18261.71 17599.71 17771.38 7743.42 12193.76 14071.58 13819.82 10764.79 11569.65 14531.5 10286.33 6810.75 3724.21 5392.15 2125.26 15483.65 39693.1 138588.26 25043.18 5844.6 4987.04 5390.49 4814.61 5342.74 5451.43 4755.05 4969.85 5275.08 Butalamine 7860.28 17505.9 7252.64 24006.89 69893.29 17673.49 2313.37 23426.21 11858.77 7748.04 5854.59 7454.3 16142.38 6020.6 16787.53 11694.34 6451.5 10766.26 4042.62 15286.5 26289.54 16214.05 4660.98 16620.86 16884.75 11729.77 5303.77 2170.46 22004.98 8722.79 17603.81 13927.48 8920.52 2995.38 8156.64 856.08 12488.87 11501.69 4215.16 7059.22 10130.17 49021.31 12074.01 6725.18 10695.41 1499.42 19828.37 11705.94 7798.8 3460.93 8543.65 8347.69 7765.51 7798.26 35978.42 18819.31 8978.31 10297.73 18687.25 16832.16 13121.56 8822.73 20919.63 9021.45 1949.84 19712.11 13162.79 5900.64 12341.76 16958.39 10510.83 2039.83 6943.29 12138.09 8403.68 12631.45 13340.49 13694.15 12922.85 12622.68 12461.08 11912.61 13139.8 12608.48 Epirizole 446.22 488.88 397.39 1878.93 715.36 3735.35 1390.74 812.09 3287.32 997.34 765.46 2430.96 883.22 854.28 3484.93 551.41 2923.71 1769.53 867.18 5411.42 1155.5 1267.3 869.45 2065.17 750.49 1275.9 1165.84 2088.08 1933.86 529.69 3453.99 570.92 1311.65 926.8 1212.82 1257.29 1159.95 1083.17 1014.57 330.23 382.96 1344.06 1114.53 1167.2 813.09 494 5372.93 3719.88 982.61 2099.94 1691.45 1339.19 742.34 1364.17 1226.38 648.57 998.35 1596.23 1874.61 2102.99 763.3 1063.03 3783.07 700.52 1596.66 1019.93 1530.67 1457.44 3068.48 3713.86 3799.46 620.84 740.96 852.45 699.84 1412.63 1824.72 1616.76 1856.59 1575.86 1632.69 1517.26 2085.84 1789.76 Shiromodiol diacetate 1621.08 455.65 2104.29 10475.09 70922.8 12687.56 9901.87 459.6 478.92 515.57 893.42 2723.3 5209.49 359.33 793.27 920.87 445.23 3858.14 4505.93 422.47 3115.67 314.81 1910.95 2211.1 642.39 2506.35 1269.37 2078.61 283.83 1048.08 2938.89 7767.09 285.61 2423.97 298.73 2101.26 2351.48 2801.58 863.47 2242.57 13302.9 3137.69 281.45 541.1 302.17 11180.36 1983.24 1166.75 2413.09 928.34 1223.32 2530.6 1998.33 851.03 9103.28 2039.85 1527.89 1098.92 1678.58 1298.02 1249.06 1572.75 1361.24 511.03 344.77 1939.51 340.1 303.14 439.05 468.16 2233.23 1774.77 398.48 418.23 1172.68 2594.49 2969.67 2894.35 3429.36 2564.96 2636.01 3019.65 2929.77 2942.32 Ethyl (3-chlorobenzoyl)acetate 1566.62 1365.61 2533.56 1902.43 1547.51 1306.85 1115.6 1568.16 1998.05 3230.56 3802.76 2270.1 3013.93 2772.76 2405.18 2799.77 3692.78 2499.22 4843.68 2236.09 2583.28 2400.17 2456.19 3459.1 2838.23 994.58 2628.96 3151.47 2619.33 2466.95 2580.23 5373.03 1131.37 4062.65 3403.01 2007.15 1883.75 2279.16 2281.2 2870.64 1561.6 2693.02 3198.74 3581.39 1348.6 3007.02 5784.75 2497.38 4132.07 4012.38 879.96 862.17 3434.95 3629.06 1031.19 1213.8 2709.65 3467.02 2598.61 573.59 3949.49 1826.1 1769.96 3411.49 3018.68 2057.45 3294.18 2963.57 1987.38 2859.85 1427.48 2997.5 3801.52 4648.89 3294.3 2477.19 2929.06 2959.19 2689.99 2503.84 2640.82 2517.71 2605.17 1212.45 Salvilenone 2889.61 1955.05 465.36 1169.57 1181.8 1136.25 1859.18 1392.77 2039.44 2268.28 623.98 3605.28 673.5 538.46 1740.44 1105.04 627.37 1128.63 4845.9 1541.3 943.38 901.21 1767.55 376.21 1580.93 2072.33 2256.86 1223.41 1104.86 1722.99 1779.93 1228.31 1214.99 2377.66 1321.49 1778.61 872.22 1194.95 483 466.58 2797.85 1544.37 2100.53 1376 1209.4 1362.6 1819.82 730.34 677.43 918.59 2181.24 1842.81 3690.14 2473.3 940.95 1731.98 1369.32 638.47 920.48 1303.51 358.53 1569.3 1431.68 762.97 1345.13 887.86 2357.8 548.99 968.22 1742.82 836.24 1925.51 1887.95 1776.74 641.8 2040.24 2388.72 1445.03 2388.35 2329.97 2203.01 2116.37 2681.19 2258.71 2-Amino-5-fluoro-3-nitrobenzoic acid 4240.12 3669.03 5061.79 4542.09 4663.47 2071.34 909.54 1469.76 2574.32 2817.28 3659.66 3627.72 3638.33 4335.36 2746.28 3289.7 2783.18 3055.18 3533.97 2557.44 3153.88 2251.16 3302.52 2814.36 3864.83 3397.48 3517.19 3904.27 4443.87 2460 2961.14 4301.79 3954.44 4835.52 2325.48 3776.85 2930.65 4455.28 4722.35 2861.51 5535.66 5669.92 5310.98 2996.41 3811.61 6020.03 3507.75 4575.68 3991.59 3384.81 4071.66 3063.51 4122.97 3852 3884.18 3974.14 3904.07 3351.4 2967.15 4054.81 5360.04 3548.69 3864.67 3577.61 4270.98 6085.46 4076.41 5581.34 4110.4 3906.34 4012.82 3417 3847.55 3990.62 2675.08 3441.06 3589.14 3312.4 3548.66 3563.19 3431.64 3450.84 3648.09 3422.05 Narasin B 9438.3 12193.21 7053.56 11797.65 13613.23 15784.6 6995.67 7779.3 6150.78 6479 5421.87 10769.52 7864.44 7660.11 8425.25 7529.99 7085.27 7993 7734.63 8663.08 9678.96 7359.14 6002.18 4970.9 5248.82 13381.64 6044.4 8115.91 13600.12 14923.48 7529.94 16445.78 7057.33 12422.21 8035.49 11471.33 9591.86 15778.34 6724.68 7500.17 13473.27 14513.75 5851.78 5904.57 12802.66 4814.57 9730.16 8043.95 807.8 16681.68 12095.08 11840.23 7310.59 10287.4 6751.32 8990.37 6249.58 4108.08 4853.68 5474.79 5067.83 4834.57 6222.28 5582.51 4589.19 9087.93 12400.73 5850.52 5788.82 6036.97 5953.17 5428 4690.79 10761.78 10341.53 5224.55 12437.3 6094.33 6845.64 6251.48 5050.33 5670.29 5850.83 4240.12 6495.5 7544.77 5245.66 5321.39 5504.06 6140.33 6732.2 3625.74 4013.7 7096.57 7098.61 5740.8 6236.3 3552.56 4341.1 6032.42 9145.27 9487.47 9450.04 9557.87 9606.23 9442.39 9570.05 9653.31 9257.85 [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate 9401.79 8587.67 3188.44 3317.68 1767.21 4634.78 1481.5 1122.34 1188.98 796.09 2018.66 2971.14 2025.25 2522.15 4738.11 2558.12 2427.23 4170.83 2273 3852.84 2287.89 433.16 631.69 1069.73 4134 3363.48 2235.04 6817.88 4374.15 2963.05 1728.63 3434.85 742.8 1145.99 384.54 524.59 355.21 1891.67 1373.45 1141.75 2922.34 581.24 1750.55 1022.19 4105.23 2605.25 1295.02 1254.68 129708.65 7956.19 10710.41 3816.06 4927.44 4727.36 3468.04 3071.22 2160.73 2352.59 1371.44 3535.46 1780.51 1500.42 756.2 1883.97 985.86 712.63 4351.37 2877.56 1584.55 1736.5 1405.6 1250.21 30933.69 43342.42 18805.99 4262.6 4421.06 4267.92 4204.24 4419.09 3717.95 4132.67 4321.33 4113.12 N(1), N(12)-diethylspermine 2207.5 2546.43 2469.32 2943.61 2239.19 1732.89 806.48 2538.23 2406.45 2390.76 823.96 765.9 2254.84 2731.67 1736.44 2303.16 3479.59 2515.64 2272.38 2582.8 1685.45 5231.34 1758.47 1552.73 1925.66 1357.91 3654.56 1911.89 6567.48 3676.85 1618.65 2299.21 1314.77 1860.64 3881.49 3328.55 2169.46 2502.8 2441.64 2276.88 2203.82 1533.45 2864.58 2215.43 2173.6 1577.29 4183.12 2353.01 1061.66 1626.96 968.79 1511.04 1287.74 1228.63 2248.03 1108.59 1740.17 1424.55 2845.25 1836.91 2068.25 1801.28 1188.33 2230.34 1597.36 3269.68 2172.47 1787.07 2223.46 1574.04 1627.94 1379.97 1160.33 1634.95 2934.89 2247.18 2095.55 2186.25 2258.17 2246.92 2279.87 2189.23 2184.99 2072.15 Fluometuron 7004.89 1990.71 12061.81 14056.43 4874.3 7555.68 2356.59 2381.83 5973.08 14577.67 13604.32 2836.94 4655.84 7206.33 6467.58 4499.84 777.95 2200.37 8190.17 1105.61 3845.03 25999.37 7200.62 4336.38 2832.41 10171.82 14676.72 12855.29 10146.55 2923.72 20032.6 18295.02 1846.17 4593.91 6012.33 2074.49 960.9 5536.77 784.96 989.42 5471.54 3250.94 2444.97 8558.89 3459.4 1123.76 4937.05 16966.28 4649.7 5490.42 3444.43 3841.99 14894.14 2172.16 833.39 2142.98 5664.03 9218.55 3143.37 772.89 8571.22 5513.37 3602.62 2236.39 2836.34 4212.54 3940.48 889.29 3332.65 2937.69 3256.76 1888.96 16973.25 11728.9 5143.32 3080.54 3675.99 3230.21 3128.01 3137.88 3151.65 1928.64 2911.95 3256.15 8-Hydroxy-5-deazaflavin 232.92 105.23 336.73 4143.09 9891.02 4302.21 10153.54 121.21 521.94 295.58 254.77 445.14 2192.24 127.52 205.3 1293.01 341.81 975.23 640.95 3140.13 116.05 620.01 127.63 227.86 402.82 1079.17 403.6 163.93 1061.96 222.72 443.83 356.81 540.73 254.53 105.87 428.52 519.24 136.65 123.26 187.67 5583.81 987.75 309.01 301.25 116.03 1864.51 406.5 264.28 535.74 186.84 416.96 114.82 476.84 836.95 2199.68 177.92 300.12 114.87 193.27 1628.79 139.45 632.23 114.39 164.91 239.48 1140.92 606.44 375.52 177.4 606.63 1059.19 104.39 231.76 311.6 775.78 1977.25 2008.58 1975.56 2009 1979.53 2010.83 2008.51 2010.76 1930.17 Tanshinlactone 8846.31 13274.11 10483.86 6257.05 9212.04 5523.98 1514.44 5330.17 6447.65 7651.72 1089.98 4510.69 9279.8 6539.65 5568.22 4553.1 6073.79 4046.76 7458.22 5290.68 5817.38 3152.07 5195.02 8373.22 9611.09 4009.95 10085.85 8045.47 7000.55 12029.5 7622.38 7242.79 7755.88 10507.3 5990.07 11324.65 5811.96 3739.94 11111.22 13287.77 9048.77 6477.57 7154.77 4567.94 6956.4 6226.84 6655.68 6970.09 7178.64 4966.12 6007.86 6229.69 7295.14 7011.15 6947.06 7096.93 9386.16 6537.66 5222.97 5301.59 7188.5 10795.69 4996.65 4322.54 3507.69 8663.3 7399.15 10628.36 14891.59 7033.37 5083.41 6474.24 5862.22 6331.5 5213.44 6774.03 6495.74 6463.19 6538.5 6516.03 5917.62 6585.09 6498.8 6465.18 (+/-)-6-Acetonyldihydrochelerythrine 11295.31 11453.12 10336.65 13043.7 12409.34 13311.75 7450.81 9996.5 4551.8 11795.59 10398.75 4902.92 4709.99 12983.27 7752.94 11448.24 9979.7 8136.18 2648.61 7931.44 3652.15 11252.02 16489.19 9634.28 10900.95 7715.86 9371.63 11635.16 11932.79 13338.07 3930.07 7842.46 9780.09 3079.06 11081.82 7650.15 7881.42 9880.09 7784.93 9407.59 3240.01 10884.61 7829.91 9931.97 12591.51 2085.3 5884.29 5619.08 9475.01 13139.39 13946.43 10613.09 10117.57 7165.26 5717.33 11082.64 8400.45 9235.32 10526.49 7363.73 8881.57 9681.41 3557.24 9092.43 7910.92 6326.38 9371.37 10912.85 15622.64 8573.47 5546.75 13648.49 9181.07 3070.51 3512.39 6908.63 6298.26 7143.56 6147.12 6209.61 6371 5782.87 6229.46 5287.26 Carbosulfan 5151.43 10485.52 2963.55 489.34 4260.68 3544.08 2206.41 948.39 583.46 8035.04 3076.93 2305.52 2454.15 3260.61 566.81 2782.72 4958.49 711.96 2079.25 3133.42 6537.69 3347.12 525.84 578.95 4529.14 12413.72 2773.55 3598.26 5001.07 937.12 995.5 3968.88 9192.51 7197.3 4764.14 4273.68 1749.39 9312.3 5500.66 1490.57 3096.86 2545.41 5018.6 2244.23 2613.22 838.37 12989.38 1353.44 1283.84 3551.45 4674.8 5444.77 6345.41 770.54 557.84 9842.77 2007.83 7309.61 10122.68 2621.72 1542.96 892.03 7515.66 3323.51 1484.03 3360.96 11435.53 2062.37 2962.37 7139.98 8948.31 4981.83 5630.97 740.84 3720.27 3596.82 2766.93 2627.08 3791.57 3466.27 2837.81 4445.21 3733.03 3880.13 2-Tetradecenal 1612.15 4212.79 6067.27 5700.89 4550.11 6556.62 7577.38 4360.99 6209.88 4174.57 6212.33 7376.36 7439.59 5416.1 4060.51 7411.38 2528.52 3825.67 7805.76 5772.27 5303.19 4367.34 5678.4 4519.31 3498.43 4171.07 3850.5 5179.06 5362.8 6861.89 4090.36 7342.31 1666.42 7825.46 5756.55 4446.16 4385.82 3384.61 5366.53 6508.4 5282.19 5191.36 8389.02 5132.9 5757.71 6426.88 4760.4 7286.34 6316.29 10433.94 1550.11 2749.19 6053.83 6454.18 3455.75 3421.41 4657.04 4264.21 1905.08 1322.49 2496.55 1493.85 5014.53 7244.6 4030.2 3985.68 4227.95 5127.82 4452.59 1946.99 3745.41 5523.57 7092.97 6638.34 7358.76 4939.29 4873.43 5277.28 4903.49 4858 4939.79 4864.03 4845.79 4557.91 Calcium levulinate 2225.86 2616.8 3048.24 1397.53 1535.91 2094.52 1618.2 636.53 2538.69 1880.25 2712.77 792.75 1723.67 2071.92 2307.28 1423.06 3963.15 1366.3 1821.49 2313.48 1257.59 1673.69 1902.83 2693.32 1075.44 1126.45 3094.17 803.73 1714.58 2081.84 1526.88 806.76 1645.12 1635.04 2138.65 1060.37 3313.47 2537.48 1828.6 5573.9 1740.21 1929.92 2430.82 2261.76 1501.6 706.92 935.46 2073.64 2025.58 1614.13 1737.25 2950.8 2244.8 2805.68 1936.49 2278.5 3968.66 2636.01 1605.74 2353.43 2087.32 1246.32 3113.57 4312.66 2771.74 3011.71 1127.01 2287.28 2666.49 2315.74 1923.22 2215.38 2311.06 3183.1 2548.46 1640.83 1559.77 1573.34 1627.49 1640.26 1621.92 1623.65 1531.63 1574.67 5-Fluorotryptamine 1367.76 2439.76 1558.45 2524.14 702.04 2254.75 1984.19 4408.94 3670.64 564.53 1077.75 1914.8 2712.95 3302.49 5892.79 2392.96 904.31 3664.47 3309.77 1330.62 1683.94 37596.17 864.64 1218.57 5726.31 3693.25 2505.22 1159.37 3732.34 2527.23 2705.08 3647.8 1858.88 3706.94 1376.6 4172.27 4336.29 1909.67 1920.02 2746.79 1360.78 1129.81 6590.66 1463.37 3580.33 2591.32 1625.95 3686.39 2438.63 2175.26 2079.27 3084.88 5102.25 1559.22 1606.63 5218.76 3799.02 955.86 3356.79 1988.32 1902.71 2403.29 1582.62 4754.25 2389.7 1279.64 1648.73 3094.36 2158.4 2686.42 2018.06 973.39 2133.26 2948.78 1547.69 2654.25 2630.47 2394.23 2631.74 2500.36 2621.04 2830.55 2487.32 2547.79 4-Bromo-2-formylbenzonitrile 534.32 686.56 570.06 797.73 942.49 498.05 1783.79 507.25 1111.1 948.08 542.35 793.27 1088.97 967.08 427.74 1323.8 2034.1 755.91 613.78 1689.92 542.66 506.42 9516.52 483.78 424.65 867.65 719 726.15 591.13 913.59 2212.25 1078.41 615.09 922.1 746.48 887.38 381.26 1640.1 835.37 713.86 420.9 1061.14 762.01 656.06 878.21 767.44 400.3 1185.23 842.51 443.47 1068.29 789.4 401.95 867.03 614.44 1010.41 932.41 795.87 397.39 447.01 2403.85 1379.76 507.24 977.19 1169.53 908.35 491.59 804.86 1212.45 604.06 447.34 702.71 903.2 1063.63 820.16 1027.18 1097.78 989.85 1114.1 1060.19 1234.34 964.18 1100.53 1086.37 2,2',2'',2'''-(Benzene-1,2-diyldinitrilo)tetraethanol 900.02 1446.34 1752.81 1418.57 5200.25 853 2677.08 1712.15 1487 2330.94 3054.89 2836.64 4130.77 1949.87 1450.83 6579.75 4597.41 1862.91 5751.67 1802.72 1853.74 1148.4 983.1 884.54 1051.8 513.17 2041.34 702.05 3026.03 1554.29 2615.93 829.91 2193.92 1915.06 1364.49 3634.57 3912.03 798.44 637.72 1531.24 2382.76 2573.15 1275.16 371.51 2322.3 2672.7 3141.69 1083.77 2453.15 4549.18 3174.19 1534.02 1189.65 1454.13 7496.15 3246.17 2301.8 721.81 1829.23 1577.37 1950.81 1530.08 1897.07 386.13 1525.66 1418.69 2413.86 1769.65 2200.19 1997 937.66 3307.01 1269.73 2119.24 1570.24 2652.76 2627.69 3087.6 2718.97 2802.29 2797.77 2822.36 2639.37 2144.23 N-(morpholine-4-carbothioyl)benzamide 1192.48 1234.11 389.29 1686.97 1922.45 1136.57 453.48 1889.06 2404.07 3438.79 1743.83 1169.78 1832.56 1377.03 2021.47 957.39 1561.85 1523.57 1665.39 2668.31 991.99 1113.25 576.19 1888.35 1216.71 3355.15 3205.77 1060.27 3739.04 2645.34 2230.62 4258.96 1357.22 1910.37 677.81 2440.22 1664.96 1665.84 1838.51 2146.13 1488.81 1645.84 1437.47 765.48 3807.14 1890.72 1183.88 749.75 1547.82 2040.49 2201.16 1644.11 635.23 1703.29 1888.54 1537.89 427.31 964.04 1800.2 1262.95 783.25 2699.29 421.95 1837.78 1440.4 2693.75 1856.91 715.98 3161.94 2784.44 2004.12 2097.15 1883.25 1088.17 3980.05 2380.41 2432.31 2164.03 2373.77 2196.02 2248.09 2294.63 2410.75 2381.94 (±)-3-Hydroxynonanoic acid 7725.66 2822.4 3948.07 2900.54 1681.35 2867.81 2302.32 4582.87 2615.82 3898.71 723.69 1819.38 1690.01 3580.32 1978.54 1400.06 2876.28 1236.81 2577.23 1581.39 764.28 1639.26 1103.61 2326.82 3695.75 2331.83 4064.92 3647.41 2745.74 2495.37 2466.81 2011.59 1437.44 2914.88 2883.67 2541.89 2059.46 2114.98 2141.04 2685.75 2839.67 2212.85 3051.76 2884.81 2101.26 2770.69 2296.09 4562.78 1309.02 2495.65 2793.59 3131.85 2534.85 2733.82 3585.25 2331.23 3085.65 2962.9 1947.45 2581.84 2046.83 2768.78 2523.31 2522.75 2401.94 2251.69 1902.47 2434.88 3428.81 3472.18 2742.32 1956.76 3083.46 1070.39 2842.21 2549.06 2546.91 2658.15 2403.58 2628.77 2736.25 2623.82 2541.86 2614.07 1-Benzyloxy-1-(2-methoxyethoxy)ethane 2037.17 2113.58 9949.79 4483.32 4064.92 17953.52 1774.92 1403.02 1921.2 2301.09 2407.52 1923.01 4734.3 1615.13 2047.49 3783.92 2106.67 909.25 5604.32 4370.23 2049.96 10403.21 10926.97 3373.41 630.95 2112.74 3304.7 2971.46 4590.07 4519.83 3027.45 4733.45 2306.54 16921.12 9178.76 2094.92 1717.23 10266.85 1166.26 3185.57 2031.11 2177.15 2517.26 2533.64 2043.09 5016.7 2983.82 3854.16 1320.72 2785.94 1902.14 6591.52 2569.72 2857.76 1384.36 4564.2 5078.9 5268.45 2531.2 9032.53 5076.96 8766.93 1123.3 3180.81 2395.05 2392.55 3182.3 2156.06 3185.44 2558.67 3333.62 4043.15 1804.44 14177.63 4096.62 3847.85 4093.37 4030.31 3204.63 4013.55 3864.92 3856.42 4022.6 4033.41 Telithromycin 1436.89 1254.99 537.03 1003.47 685.35 802.41 644.93 858.1 846.93 754.2 1243.69 567.95 1264.1 513.76 419.29 1634.38 567.07 913.85 764.76 1515.82 1183.86 364.44 380.38 1470.53 679.12 765.78 773.17 942.64 794.62 795.86 448.76 4948.68 586.43 1995.72 1020.36 1699.22 2261.11 892.05 1436.39 1031.52 2625.89 844.61 1088.08 875.21 608.26 1126.85 4049.62 687.85 1449.88 2889.32 2526.98 417.13 1327.95 2459.91 1082.97 453.42 1029.14 524.18 1409.03 867.98 841.5 1451.06 1148.58 346.6 693.52 1454.68 983.29 1629.89 2223.15 1518.55 1024.87 2106.36 512.31 1013.32 2505.64 3161.63 726.84 964.5 3457.17 2915.61 1119.37 1244.93 1947.83 3379.7 3476.78 6848.83 2272.35 1394.87 1987.5 779.9 1578.03 1476.39 1463.17 1649.04 1489 1558 1581.03 1473.58 1422.72 4,4'-Oxybis(benzoylhydrazide) 2159.74 854.57 682.13 1245.69 2161.41 243.24 1820.42 3700.96 623.38 4402.11 612.33 1473.07 308.57 477.35 670.8 1133.62 387.69 1138.15 342.46 1600.91 2558.61 1465.6 316.35 374.48 918.51 502.05 383.84 491.71 826.29 287.84 487.47 641.35 409.38 266.87 958.96 6080.44 747.84 657.75 1210.85 1095.84 274.16 1632.61 1166.32 536.1 493 5106.7 835.55 1093.21 4312.11 267.61 306.21 624.73 883.53 952.32 457.59 1090.26 484.93 872.07 839.07 1143.08 700.77 662.25 542.63 1232.1 626.21 1679.64 986.4 3992.77 832.45 1899.79 941.6 2406.16 1175.51 952.11 1342.23 1932.82 1893.58 2320.71 1926.08 1760.46 1721.2 1905.96 1729.81 1580.42 N-(2,2,2-trifluoroethyl)morpholine-4-carbothioamide 1207.18 2216.58 667.01 1275.15 1656.77 1326.1 1454.78 734.79 1154.02 891.13 1085.04 1854.73 1663.72 1014.76 1237.4 1328.51 1083.76 826.75 879.43 1134.06 1238.11 936.28 617.55 1233.72 2422.54 1433.17 1864.32 1547.25 975.07 1338.6 1424.71 1205.64 1176.83 1128.18 1115.46 1950.76 1116.03 1226.24 865.65 768.46 1195.85 1367.15 818.6 1446.65 2093.65 655.04 1639.67 1053.26 501.67 740.8 582.3 1449.26 1051.97 728.68 971.13 547.74 966.85 1032.41 1043.49 1704.55 850.06 1386.24 932.66 1056.84 637.6 1094.97 868.53 936.95 636.58 1402.09 497.69 753.62 1110.7 963.92 1087.92 1060.47 1163.63 1043.28 1047.94 1139.45 1081.35 1156.99 1139.74 936.56 N2-Oxalylarginine 4481.08 5482.37 3622.66 2585.28 3394.5 6112.96 4355.68 1024.75 5006.34 944.78 715.47 2452.42 3697.18 3376.76 2233.83 1968.28 2290.39 1965.5 1711.04 969.89 1730.91 1519.97 823.42 3083.41 774.79 2135.73 2708.75 1364.72 5336.25 2758.55 4448.49 2900.07 2053.93 5190.42 2921.27 1520.79 748.99 1121.37 6017.34 1486.05 2498.31 4052.59 3521.7 1866.99 1703.64 1111.52 3485.52 2169.08 2791.85 2659.75 1396.92 2027.96 2454.84 2753.04 1390.78 963.39 3769.79 7833.23 2926.21 1248.56 3339.67 2742.63 3014.51 945.37 4503.41 2479.5 1103.37 2285.72 3431.18 6600.82 2466.89 4677.51 2836.97 2378.04 5216.72 1901.65 1483.22 2028.65 1952.69 1991.79 2292.23 2039.48 2013.21 1884.34 Lemidosul 1489.98 779.46 1748.51 553.02 1060.16 1292.88 899.01 913.04 1275.21 828.64 1249.81 821.7 533.47 425.39 883.26 1074.03 432.04 738.38 1246.79 483.33 959.74 402.06 1036.85 1371.67 938.89 571.34 1692.44 1031.69 1403.52 910 1083.92 987.71 1032.86 940.06 1225.44 1248.35 1258.08 1367.43 1465.03 743.57 1164.13 1075.05 1489.44 1066.01 1244.85 950.03 1030.56 478.16 656.71 597.85 887.27 786.41 1057.56 1240.91 750.9 1266.67 1456.88 641.85 746.54 1068.82 1079.38 1107.33 1104.28 1048.67 1457.89 901.18 606.56 1107.05 909.38 1291.39 1116.2 972.92 943.44 875.46 1153.72 1359.48 1382.63 1301.22 1263.8 1337.68 1381.32 1411.36 1139.49 1295.91 Dichamanetin 5838.29 6471.2 4359.97 6273.64 8773.16 4402.94 6480.86 6451.75 1297.58 3786.36 4560.89 6871.35 9092.37 6151.8 8244.52 6379.01 5631.61 7785.93 8918.03 10467.27 4793.03 2468.27 3325.9 5261.41 4460.77 3952.14 3169.21 5462.17 6072.19 6966.84 8934.04 9684.78 802.71 3139.81 3946.1 6270.77 5594.47 3968.37 2443.82 3647.55 10796.52 8112.5 5710.65 4073.24 7960.14 6237.71 7983.33 5263.73 1577.76 12555.6 882.4 1602.99 3983.07 7395.62 8762.9 8202.87 5418.93 1977.64 1940.87 4624.73 3443.95 966.72 5646.1 4689.42 4635.41 6553.29 8988.65 3447.94 6271.31 6945.23 5195.02 7169.72 3853.35 5825.94 4363.36 5144.32 5424.04 4985.65 5116.15 4753.36 4934.99 3357.52 5085.47 4699.99 Neratinib 11734.5 5413.55 3515.66 4290.84 5917.46 9912.12 10286.88 4888.62 14620.71 13305.74 6657.02 4216.15 2448.11 3202.7 2954.14 944.37 5649.82 4487.47 4312.81 10285.91 5501.29 4034.89 5920 8535.91 5196.5 8537.29 3213.85 1087.24 949.23 2180.89 6363.99 1820.88 14190.3 10246.32 7123.38 3462.47 4718.93 5857.26 4803.14 3405.65 8801.65 12661.09 3771 8506.24 3162.91 2434.7 7222.86 4157.11 5380.39 4319.85 3394.66 6399.4 5224.45 4289.9 2560.99 15767.25 1584.14 7385.01 15475.64 6177.82 6445.44 4234.33 7190.68 4181.17 2138.23 4213.71 6602.66 4019.94 3557.21 13389 2501.17 2386.21 17196.89 3980.63 3093.97 2544.24 4032.85 5118.28 5008.98 4990.23 4542.78 5074.28 5314.16 4390.56 Glucolepidiin 41242.18 38823.35 49031.27 36429.9 50828.65 18942.07 38942.44 70869.41 55059.46 46598.88 12695.81 30730.19 42420.8 43797.52 42086.8 40141.52 35111.63 42890.39 55601.42 35438.78 54019.87 22317.81 35839.69 44170.39 51832.46 47976.7 50714.67 54036.7 56188.85 32489.39 36856.19 41113 32768.67 48407.67 40029.43 51777.42 42718.74 11935.29 36816 31219.4 26164.25 35099.11 43213.49 33743.45 43893.46 23515.07 48186.84 46119.47 22598.55 33095.28 24919.52 32236.82 37393.14 24168.28 32277.58 41414.4 35295.65 30994.15 38471.41 15741.59 31258.56 30916.89 34211.91 33575.19 27423.12 35404.95 30924.58 49447.83 36985.33 50776.04 33159.35 33505.53 14243.1 21822.94 32385.56 36614.31 36623.78 36354.79 36348.47 36117.27 36612.84 36446.39 36352.82 36467.56 N-Benzyl(3-chlorophenyl)methanamine 3489.36 995.95 1026.7 1815.82 4127.05 1685.02 2069.27 2094.33 1875.36 1409.3 1324.1 2234.9 1960.15 2261.03 1650.55 1808.58 1586.21 2588.86 2310.47 2026.51 2550.92 1555.55 919.66 1559.32 3087.49 1471.89 1279.57 1773.37 3129.45 1236.55 2980.32 6037.19 1061 3887.73 1536.19 3334.57 3985.55 1671.84 1216.13 2707.16 3549.57 3695.42 1830.26 1597.89 3913.51 2247.45 2578.2 2231.69 2840.63 3643.76 2964.6 3591.13 1229.88 2424.4 2599.77 1170.99 1198.89 636.72 2627.38 1859.81 1530.42 3927.91 2235.93 1377.13 987.28 4347.33 2175.83 1860.4 1925.18 2159.06 1189.08 1777.7 1986.62 1472.3 1924.4 2107.6 2029.93 2280.1 2159.97 2105.86 2159.49 2163.05 2145.85 2134.33 (3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione 2552.83 1224.48 694.2 1487.63 4561.34 2240.3 4481.47 5672.74 5568.26 1618.49 1189.73 1298.22 1711.2 785.2 2295.63 1894.93 935.31 1462.22 608.24 2317.43 736.09 2315.65 1187.22 744.88 835.81 906.42 2810.58 705.66 2555.47 893.84 1583.2 1118.53 3981.32 1973.81 1060.03 1555.82 1989.63 1932.73 3440.07 2736.77 1512.91 1456.55 3839.65 1699.8 1518.38 1287.35 550.77 1979.66 2486.92 1700.13 635.25 1474.65 1614.94 4089.57 2804.11 1624.2 812.01 851.35 1599.47 1329.63 6254.86 725.5 4380.34 1730.4 1663.35 1389.03 1959.97 1175.8 1652.85 3918.16 5181.82 2113.35 898.05 1751.28 1318.39 1620.38 1624.35 2112.63 1614.93 1464.9 1623.06 1619.89 1456.73 1544.02 3-(4-bromophenyl)-7-hydroxy-4H-chromen-4-one 8284.32 15848.67 7580.69 3159.45 4287.62 2142.91 2039.16 4628.65 2730.03 11534.71 1714.73 6950.9 9891.53 6055.45 3903.09 978.35 2624.33 3473.07 7388.77 1238.42 6125.27 1362.74 4265.85 6869.86 8986.52 3673.24 6233.63 7912.4 7810.26 4132.71 4775.74 2034.97 3212.58 6329.79 2102.52 11448.96 3197.58 2376.17 6889.52 26403.72 8677.6 5285.92 2938.04 2989.77 3105.2 3364.94 3192.22 6540.4 17455.67 2594.96 5350.89 4441.56 5399.37 2299.54 11697.74 5682.64 4708.32 1534.2 2262.41 3150.34 8382.37 16123.11 1946.28 1631.29 2163.69 8867.11 8587.24 12710.7 18453.03 3155.25 1108.77 2563.92 1471.83 2221.87 2276.26 4004.5 3953.2 4043.57 3912.11 3957.07 4274.37 3986.78 3964.17 4046.77 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene 1748.14 864.26 2799.06 748.65 2111.82 487.86 1291.84 1441 1563.1 301.35 713.59 2447.64 2416.07 2984.68 2165.01 1113.51 1780.73 1733.69 4179.02 1802.12 975.88 851.91 1221.13 1629.69 2043.01 1066.31 827.68 1074.42 2477.25 851.45 966.47 1174.16 2691.46 1431.49 7060.4 9086.39 2358.15 1863.44 2587.12 2537.85 933.39 506.04 4541.61 772.91 4341.39 1990.5 5283.52 4691.72 5329.1 3866.34 11785.81 3596.65 8042.72 8347.01 11265.7 1783.15 3470.05 1122.39 4962.4 2377.3 2987.67 6887.81 5882.85 4257.49 8632.03 2994.14 1613.96 1676.7 2431.8 8435.11 597.79 572.66 7295.71 4362.54 4903.97 4185.24 4173.65 4215.33 4221.7 4281.74 4221.6 4099.46 4159.99 4155.96 Domiphen bromide 2962.67 463.24 1060.62 665.24 1005.13 3622.49 1575.62 511.31 698.97 1363.88 1091.2 533.53 635.82 1277 844.8 1204.88 540.08 1149.7 631.15 738.23 773.62 682.58 567.17 731.49 722.96 851.8 3142.88 691.13 996.76 648.54 876.26 654.25 927.82 1743.85 1854.51 816.19 2692.97 1961.8 3031.79 2067.2 1007.84 618.7 1876.77 1999.73 1053.74 591.92 949.97 1000.64 1456.89 833.5 1849.51 824.17 2554.59 1281.39 983.51 1384.41 1411.7 1379.3 3951.93 1465.21 2109.32 2786.77 2226.24 1667.26 2318.94 1570.33 682.52 1875.94 823.08 743.98 2425.18 2988.67 2067.25 544.51 1347.37 1223.31 1266.05 1353.29 1639.29 1224.16 1362.9 1359.25 1255.84 1301.23 p-Octyloxybenzylidene p-cyanoaniline 603.84 892.46 1819.39 2999.68 7608.54 4343.76 15297.2 3395.18 3438.41 2387.09 9868.11 1612.61 1516.58 1820.65 430.03 8204.79 1074.18 1647.97 3369.87 1638.66 1338.48 2113.75 838.82 808.81 2404.24 439.12 708.26 2107.45 624.69 2747.4 1916.2 2019.88 418.42 5037.09 3207.95 1371.85 1747.66 822.67 1639.2 2057.87 5369.86 4026 2810.26 1451.69 1815.12 4935.34 2068.4 16660.94 2304.18 6075.74 1884.86 6014.03 2297.37 3648.22 4311.82 1694.07 3074.88 1784.95 1309.62 4194.26 1317.45 2427.65 2099.62 3241.92 1265.45 2517.21 1487.32 1889.21 1524.04 1242.99 1457.45 1795.34 2868.83 5228.81 1180.98 5008.63 6231.61 6083.12 5955.6 7282.06 5242.47 5826.28 6085.86 5598.3 4-(2-Morpholinoethyl)-3-thiosemicarbazide 2833.38 5060.15 3531.55 1161.36 3168.24 1764.52 2277.96 1157.14 2643.07 2336.18 1298.9 592.14 849.89 2111.44 5617.83 3520.71 3769.43 1104.88 561.88 9015.4 2421.41 2638.66 2342.02 3174.54 2153.25 4909.16 2314.33 960.47 7399.7 791.22 571.65 3775.96 2658.06 1145.33 2860.05 872.71 2490.88 3085.03 1965.32 900.7 988.21 2051.52 4565.21 2057.23 1600 903.87 5947.75 3955.1 2038.13 3511.53 1793.15 3292.22 468.6 2540.61 1621.31 4915.71 2044.61 2050.09 3195.44 2873.78 2212.11 944.99 3284.41 645.4 4245.78 1250.91 4332.09 1953.15 1752.85 1332.76 4497.02 1642.24 2417.91 2046.42 2605.19 3207.74 3179.4 3191.07 2782.32 2996.64 3160.77 2628.46 3163.87 1725.72 Carbendazim 1994.34 1990.95 3404.53 3494.5 2638.41 3492.44 4683.12 2156.13 826.5 3761.8 3616.59 3752.15 4358.65 3667.93 2089.06 3654.26 3353.05 1929.22 4827.57 721.63 2533.5 2431.15 1986.5 4044 2702.76 2516.83 4598.96 4322.87 2349.47 2109.87 1136.79 4823.51 1316.02 3396.29 4001.6 2429.3 2360.52 1498.3 3604.65 3451.67 886.97 3197.2 3700.95 3669.76 1604.84 3996.55 2573.79 4043.12 2829.5 3725.42 1736.92 1736.05 3892.57 4148.63 1270.47 2823.02 2863.52 2991.73 1474.09 1662.77 3419.45 3533.38 2223.72 4454.31 2374.82 2227.85 3370.61 5020.67 3823.91 939.33 1817.93 4168.8 2578.25 4167.04 3988.11 3409.68 3393.41 3448.86 3422.87 3449.61 3448.86 3356.36 3645 3391.13 Diafenthiuron 1163.95 1704.91 7066.4 5759.76 1201.57 472.7 4802.78 1727.47 592.82 1121.76 1379.61 1906.33 2503.39 1613.87 848.19 769.32 1519.99 838.34 2084.36 1246.23 781.55 4327.84 2010.59 2656.67 788.93 1213.71 1184.39 1156.57 642.34 1644.98 639.28 819.14 485.8 5166.49 2188.48 2039.13 633.43 1928.08 2245.67 2061.55 910.28 624.75 1083.56 1367.99 1316.74 3751.91 1073.01 1443.37 591.87 1287.95 3616.28 784.91 1994.98 5159.22 2432.21 510.74 4325.65 1407.85 514.19 1578.88 1935.66 1504.86 2378.06 2419 1171.39 1550.15 812.29 772.47 2905.59 2276.98 1338.54 516.32 2120.26 1808.22 2641.33 1780.47 1873.18 2038.73 1716.34 1818.51 1849.8 1692.92 1848.7 1368.41 3-Methyl-1-phenylpent-1-yn-3-ol 21581.94 13733.84 7871.71 8461.47 15176.93 16030.67 19210.21 17441.95 20078.25 11102.49 9216.72 11869.82 10160.82 12687.83 15414.83 15051.06 9012.73 17617.59 13834.78 23087.05 15473.36 9236.98 7504.69 10242.11 17421.67 17387.42 12933.48 13001.82 19505.04 6627.98 19865.42 7760.33 13004.69 14166.83 13252.38 14875.6 16701.49 9968.73 12589.19 2001.39 19889.85 26837.69 12321.85 7919.92 8883.68 7495.12 14343.57 11779.33 6218.09 13535.67 16077.91 13289.75 8841.44 11917.17 9948.28 18505.91 7113.58 6351.07 13707.63 4384.18 9057.31 7806.46 11890.46 12463.24 9569.04 13754.11 20098.79 10059.98 10071 14150.14 16964.12 12657.08 11302.2 11895.81 6243.98 10015.23 9258.42 8707.84 9688.62 9154.01 10052.12 9609.33 9264.88 9732.38 Val-Met 5138.2 5293.82 7327.82 6368.25 4006.21 7764.28 9764.79 6111.85 6298.03 7234.08 8846.32 8456.67 8475.33 9682.88 6945.15 8822.28 7437 4234.54 9988.56 7525.59 6465.94 2538.65 8453.11 8376.96 6138.91 7484.55 9293.75 9330.55 4335.81 8299.82 4703.95 10957.91 3624.19 9513.46 8253.36 6206.76 6295.39 6847.23 10492.26 8688.84 6201.99 9377.44 9570.75 8149.08 6059.49 8046.41 5847.16 9177.65 8179.97 8661.59 6122.15 5902.15 8329.19 9818.95 5558.79 5044.62 5580.54 8390.81 6178.73 4063.73 8181.4 6748.12 5922.86 4045.42 7484.99 5195.6 6120.96 8072.47 9621.92 6279.56 6277.78 6689.81 8225.11 9106.75 9014.48 7297.52 7175.3 7315.68 7389.55 7200.89 7306.18 7168.53 7378.65 7378.81 SIS3 free base 16865.91 5517.07 13755.05 13327.57 9773.93 7894 5951.19 11399.63 2842.37 10933.48 13784.5 6655.16 8301.15 803.21 2912.9 5724.59 10025.25 13596 7372.85 3483.11 16889.08 5787 13627.26 13797.07 3856.29 8825.55 10312.1 11336.02 6505.39 3923.89 3347.34 7544.2 7946.69 18300.27 19224.39 940.22 8124.83 9264.61 1011.16 16290.28 9305.58 19799.25 2829.82 8617.75 7062.49 14237.38 14321.2 6536.88 11367.06 10073.59 16955.54 22227.35 18632.16 18463.46 5038.1 7704.22 10341.91 18029.47 10751.8 23549.4 12124.3 10549.88 18974.01 22450.11 15772.28 3593.71 10975.2 13224.41 10608.77 13305.68 6169 15060.36 17785.18 17374.69 17446.59 9040.79 8969.32 8753.66 8410.47 9042.82 7828.33 10022.85 8957.86 8882.9 N-(Chloroacetyl)allylamine 2254.39 5678.01 1654.55 3460.1 1214.95 2240.86 2237.1 3026.01 2400.93 4063.89 2118.42 1729.76 1104.15 2559.08 1414.62 3696.22 10510.23 4039.74 708.58 1204.04 357 1082.55 2043.09 592.87 1673.55 1639.44 1472.86 1741.23 843.79 2355.55 11552.46 2019.67 1742.86 2223.12 689.82 635.55 2072.83 764.93 499.07 2858.13 2003.99 3299.84 3233.06 1517.69 3007.75 3045.4 5763.98 1586 1770.4 718.07 2144.87 1593.71 1238.13 2792.08 448.12 833.62 2281.4 1592.82 1585.83 768.58 6253.4 1331.27 3079.56 4417.85 1870.41 2908.93 1998.38 2166.23 2203.96 3908.13 2804.3 1960.57 3238.84 1558.55 4002.29 3021.18 2821.31 2575.16 3973.77 3375.98 2749.43 3240.41 2774.09 2191.86 3-O-Sulfogalactosylceramide (d18:1/26:1(17Z)) 976.91 442.32 681.23 1139.51 472.71 801.87 259.82 1203.79 491.19 287.99 409 1683 532.45 1245.36 1133.11 890.95 505.12 404.58 453.01 1658.37 407.22 829.19 559.14 1812.84 616.58 674.95 589.14 725.18 1334.75 1905.87 988.86 1625.6 1849.83 2180.46 3024.22 2756.71 1396.21 2229.78 1929.27 1449.73 971 2455.56 2895.4 1844.48 1489.6 1158.8 1881.29 5061.84 3696.37 3510.85 2228.98 1437.81 3593.08 4756.48 3332.84 1553.31 791.01 914.23 1903.74 1206.38 1198.3 1495.46 1924.67 2073.3 1938.76 3038.23 2408.28 2220.24 2604.85 1371.18 1651.74 1530.73 3874.21 513.04 2927.66 2930.57 3598.41 2918.17 2570.22 2982.97 3084.87 3182.99 2788.74 3164.51 Orcinol 1195.88 2156.93 979.14 575.82 1543.52 985.6 1184.15 1039.98 1366.1 445.93 804.87 620.07 439.28 1580.39 1315.81 362.89 1587.65 1311.07 724.53 2361.86 947.3 759.11 1565.06 660.24 1027.61 941.82 620.66 996.59 1161.8 954.63 1361.97 2114.19 383 897.09 703.06 718.94 1046.88 790.42 798.02 1155.27 1167.46 1364.48 1012.26 1036.18 2261.51 1761.99 1204.15 1433.07 849.02 1315.77 848.42 1193.54 1059.81 1432.98 873.44 927.79 547.33 681.97 1213.93 1873.74 848.91 676.36 937.85 533.45 954.72 1357.78 1181.8 673.16 1298.86 1058.78 1175.15 445.7 660.67 1857.39 1180.45 1590.35 1489.2 1504.77 1489.23 1592.54 1602.78 1503.65 1570.65 1736.28 PA(P-16:0/18:2(9Z,12Z)) 3507.29 2409.99 797.39 8758.31 31875.73 43014.57 46450.27 4281.66 5004.67 8346.73 2887.65 2967.63 7562.47 3982.38 2974.66 10734.47 2328.63 2225.8 2625.59 2648.34 3853.68 5927.01 4084.96 6394.56 3660.86 3573.76 3120.38 3076.46 4390.31 2978.61 2854.58 5114.51 2333.7 1890.44 15915.12 8438.06 2955.43 4067.63 8883.09 12981.57 1883.98 4138.6 10302.31 14245.14 6686.99 11561.22 8948.3 1563.35 8380.97 11895.45 13224.54 3728.82 2389.92 14225.14 9263.27 3361.79 4406.08 8076.98 3420.94 7028.59 2941.27 8807.29 7332.59 1922.63 9087.01 5125.62 969.95 9163.17 13916.13 6755.33 3065.17 5496.89 13508.99 15221.61 17075.02 4942.83 4445.22 564.3 1543.21 1145.44 5215.85 3834.45 8390.44 4368.08 4190.44 3317.5 5583.59 8716.81 8382.1 8465.85 8295.26 8359.18 8356.32 8283.14 8283.63 8474.45 3-Iodo-5-nitroaniline 1965.99 2240.07 1549.44 2212.04 4279.7 4181.2 1937.15 3206.12 2773.39 2077.05 1877.02 1114.98 6184.91 1265.67 5426.94 2086.27 1550.98 1653.15 10344.04 2909.75 760.5 1715.17 1527.42 1273.08 1032.73 1578.74 2001.96 1781.44 5740.89 2909.23 2057.61 2099.51 979.84 2426.55 1784.21 1176.37 1709.88 1982.87 694.55 1893.25 3128.72 1224.09 1292.46 1715.67 798.38 643.03 2076.46 976.46 1877.22 6458.62 3161.33 1735.79 1313.13 878.39 926.63 2637.33 1587.98 1538.7 2066.66 1566.68 1840.57 1792.88 3756.8 2150.24 1789.66 3700.25 1324.3 1825.2 1934.81 1655.72 2596.58 1726.54 1878.15 588.06 879.23 1335.75 2042.59 1700.63 1605.82 1453.92 1643.34 1616.59 1459.16 1405.29 Polidocanol 1028.15 1859.24 839.47 2435.56 775.44 545.6 635.84 1022.36 1221.74 1056.31 436.16 1750.57 1103.15 689.52 1243.52 1981.96 1842.44 1130.92 514.35 1063.69 1574.29 779.09 597.82 491.19 395.53 1347.33 747.6 952.24 1072.8 1154.05 1862.68 1163.13 1363.62 1911.23 1509.22 1702.49 1417.99 2343.63 1668.76 1263.31 912.75 857.85 1137.39 1072.49 1422.76 1039.54 1338.05 2042.29 3411.07 1694.83 1428.26 1317.97 1365.32 1510.48 692.41 1545.08 1886.77 903.36 1324.89 1604.22 1365.23 1376.45 1011.34 788.31 1778.29 1111.52 2751.34 1243 1345.13 1314.81 1513.25 1381.33 1302.06 1101.84 1411.34 1712.33 1809.83 1725.18 1753.59 1744.05 1352.89 1871.24 1804.4 1703.11 Dipotassium glycyrrhizinate 889.13 845.23 1456.77 1933.83 1574.37 3492.34 384.99 1690.19 645.61 2385.61 1634.04 733.03 827.74 646.44 1261.28 1003.42 1606.37 513.38 861.24 3381.25 2316.53 2335.64 1726.59 1070.91 1878.47 1404.01 748.46 1000.12 2710.43 1527.54 809.06 1422.59 1094.32 562.09 2339.07 610.54 1704.51 998.72 547.74 2238.98 324.95 1924.15 1029.45 341.37 2062.3 5772.11 969.86 566.79 673.21 1916.26 2867.08 1116.3 1006.16 1314.43 454.29 508.84 1081.26 1323.44 1046.48 710.9 1150.8 1270.72 548.17 1221.65 1395.44 1561.26 1552.53 1355.25 390.37 1297.56 1396.27 1416.41 527.86 506.19 779.92 1751.51 2706.63 2053.92 2290.15 2216.23 2046.83 1950.04 2264.57 1979.95 2-Furan-2-yl-ethylamine 7927.17 9072.18 6289.11 7699.61 9623.34 6894.15 7915.78 18606.93 12315.82 6297.83 5028.91 5796.17 6994.47 5286.6 8379.51 5887.34 4590.46 8833.86 4441.05 7370.87 6367.38 3703.24 4562.83 4924 8900.3 8963.32 7324.61 4199.87 6578.53 614.87 3290.73 4998.88 6937.6 4804.14 5342.27 6327.12 8866.45 2313.73 3304.01 8831.92 2881.48 6632.25 7580.07 4269.81 5249.15 7383.4 6757.63 4465.01 5899.99 2966.16 6213.15 4864.33 5593.33 7903.49 8303.29 5512.68 6022.43 6121.39 6934.23 10092.52 3815.58 4790.17 12664 9119.84 8537.97 6581.16 3559.6 3720.19 4119.28 9978.19 8390.76 3096.92 5768.27 18114.05 5902.14 6781.99 8566.13 7115.53 7629.1 7111.1 7164.42 7389.17 7293.35 7344.74 Nomegestrol acetate 1059.89 1646.8 1320.07 1221.68 4490.03 1240.37 871.24 5366.22 4680.48 714.19 1481.42 595.17 1095.26 598.59 5320.39 2039.07 677.41 2816.44 2897.22 3395.72 2250.3 6060.42 1473.21 488.66 4382.09 5039.53 1701.25 586.76 3047.82 1882.76 1707.41 1093.03 2522.78 1602.9 1591.31 1853.79 2545.7 1141.28 653.47 2504.6 2336.09 2421.21 1228.74 914.47 579.08 1660.58 1477.28 1268.37 1027.39 1377.65 964.11 1389.96 1663.59 1472.31 1713.19 518.52 664.48 2362.03 2131.96 502.69 773.2 1327.63 2610.66 1920.24 2965.64 2196.64 1307.24 1409.93 1988.35 3281.84 3795.97 1281.35 486.17 2830.04 784.49 1882.18 1796.38 1880.04 2076.03 1850.37 1712.93 1884.69 1650.1 1862.01 beta-Lipotropin (61-64) 4364.27 3283.74 773.42 2222.58 3348.94 9375.55 1608.11 4751.04 2047.26 2288.75 7421.27 5121.36 7905.24 3990.98 2422.29 4521.14 499.05 1084.44 2941.84 7914.81 2546.03 933.57 1269.51 1922.19 3564.54 4995.54 1874.05 2773.34 1659.73 1296.77 6243.62 6425.94 2540.35 718.28 3316.96 1975.6 2237.87 2074.59 1464.78 1348.83 3108.39 4519.45 2354.74 1360.28 4636.05 1471.39 2132.33 3533.59 6440.24 13886.96 4405.12 3421.44 943.42 1954.83 3140.19 3092.97 702.99 824.43 1320.88 1207.53 609.65 2295.49 844.9 1186.92 2475.58 636.99 5264.13 1082.42 669.08 1974.37 3202.16 1882.32 2131.04 2237.86 1420.37 2714.24 2493.85 2783.24 2552.04 2049.32 2732.15 1763.56 2672.48 2850.92 3-Chloropropyl p-toluenesulfonate 3570.14 1292.41 1594.29 1223.88 1294.33 1438.98 1219.06 731.53 1523.82 3287.87 2118.27 1789.26 7747.46 3492.8 968.06 2696.08 2394.83 3881.75 5002.49 1627.56 1244.68 1295.33 4106.15 4316.39 3070.61 1493.81 3012.52 3556.66 3706.33 3345.36 2004.91 1033.54 3777.26 1664.55 2809.13 3199.71 1874.44 3224.41 2647.7 3004.56 1560 1933.33 2150.01 1470.79 1005.04 3026.35 3345.3 3880.07 1678.96 3016.43 3553.95 1649.11 1805.66 1122.06 1687.87 1862.82 3344.68 1238.47 1030.25 1972.87 2402.66 1025.73 741.15 6689.42 892.74 1662.07 1493.43 3244.49 1170.37 1013.49 4554.1 3767.08 2138.78 2744.81 2200.85 2578.29 4482.09 2370.65 6406.21 3027.99 2872.97 2183.28 5536.59 3574.59 5590.01 5404.94 3203.03 5136.75 6027.63 3709.12 6605.83 4395.67 3784.48 5475.8 3935.11 3046.33 3213.21 7501.74 3040.16 5324.47 1512.71 1555.78 1438.61 1552.17 1394.06 1654.14 1502.54 1401.18 1396.52 5-(Ethylsulfonyl)-2-methoxyaniline 526.85 1548.03 2210.16 1476.25 11158.82 1953.7 6265.43 2080.95 1036.91 441.59 2069.69 2463.87 2877.7 675.06 3712.36 2550.31 485.63 1584.74 1774.07 452.06 1307.47 721.99 1789.97 858.11 462.02 945.83 1846 565.77 21381.63 2341.29 603.49 1915.47 2841.2 1264.78 1140.62 2244.34 833.28 1561.74 1002.81 1518.4 2715.45 1539.53 1552.62 889.6 977.06 22350.72 1170.36 5642.44 17419.6 2193.35 484.21 1258.02 1177.82 1100.41 1505.9 2392.48 3108.74 2319.21 801.94 2544.97 2843.77 1672.42 2490.85 2762.11 1246.19 717.53 1463.96 20133.85 871.99 579.72 1760.62 883.85 2605.8 2163.07 5743.01 1733.26 1411.93 1834.38 1600.54 1464.01 1806.1 1739.29 2409.09 2173.24 2-Benzamido-5-phenylthiophene-3-carboxylic acid 1378.2 2920.76 2543 1488.97 2350.6 2031.37 1592.65 4347.99 4029.22 1679.7 1033.5 813.4 1434.62 2054.73 1272.76 1639.1 1711.79 2254.39 2511.73 1915.74 1845.39 966.7 1356.59 2486.9 3399.11 2676.71 2200.16 2626.56 2236.97 1085.63 1646.17 1399.36 953.87 3903.73 2046.16 2691.37 2490.54 1311.19 2967.58 2013.02 1596.58 2282.64 1611.06 1376.98 3115.58 2072.66 2256.25 2207.52 1802.11 2270.07 1392.89 2449.1 2241.31 1520.37 1533.89 1413.67 1765.83 1373.28 2098.18 961.24 2091.02 1671.06 2779.59 1789.27 2594.83 1684.44 1872.83 3433.48 2412.08 3836.96 2067.24 1934.13 1117.54 2068.86 1434.4 2475.2 2148.64 2498.42 2375.12 2349.67 2651.25 2359.31 2489.47 2492.71 tert-Butyl 4,4-difluorocyclohexylcarbamate 13079.47 12723.1 7247.23 8073.16 19889.39 17611.51 4703.17 19290.27 22394.35 11708.86 7349.5 6919.73 7528.08 5819.54 11610.92 4791.72 3710.47 12556.79 10536.73 18749.81 19797.05 12989.65 6014.94 6605.6 5583.42 16956.1 2949.32 2509.54 15059.81 6023.94 14958.03 9487.63 11475.59 5391.48 4193.17 12432.58 14427.65 12900.25 5040.81 8286.36 16427.23 16561.34 10488.37 8617.26 8217.33 2419.08 11917.27 8274.62 3395.19 11653.2 12232.93 12690.22 5902.8 8912.12 8472.84 11252.69 3578.72 8899.99 12440.57 4423.28 3208.05 6158.89 13495.74 9571.29 4037.62 12575.23 17910.91 4784.61 4397.42 18672.89 13245.59 10541.55 6553.22 14572.4 4984.51 10250.7 10419.18 10755.64 10617.7 8037.45 10818.31 10266.64 10235.01 10419.15 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole 24386.73 27412.37 15171.79 8628.85 12102.65 13388.34 9523.4 28080.29 27606.03 17538.26 11842.77 9704.6 6567.38 14509.76 10821.83 27847.77 806.38 6800.87 25877.8 27663.96 19558.28 4864.74 11943.72 3129.39 26187.85 32599.26 1736.72 14682.68 40722.09 2000.42 23503.26 37262.37 12730.01 16117.14 15943.74 26357.13 11425.55 21056.17 11914.33 4932.44 25783.58 34116.96 21457.12 5409.78 26610.25 19572.47 26551.04 20258.13 7405.13 20544.04 24294.27 19616.16 9138.43 2099.61 11414.02 19951.97 8262.67 813.67 22676.88 16332.54 19952.37 17343.76 17049.18 710.97 1969.07 22758.32 22851.85 10763.69 6221.14 22914.2 19678.23 9179.19 9659.86 9511.57 11801.74 11624.78 13171.42 13512.09 13117.13 12873.03 12420.55 13942.39 10932.34 12460.21 1,2,3-Tris(chloromethoxy)propane 8991.83 8156.87 10704.89 8114.02 7235.54 8197.21 8825.21 9270.2 8060.16 7552.29 8305.4 7474.39 7384.99 7176.08 8172.98 8903.96 6504.82 6228.04 7986.19 8145.11 6853.79 7973.23 6775.37 8901.24 8239.58 8370.05 9155.83 7066.59 7159.62 6901.41 6045.51 7392.53 6904.43 7279.44 8254.2 8222.58 7829.14 8472.12 9795.57 8044.76 7793.95 10308.12 9015.17 9804.73 6892.32 8661.52 7586.59 7572.2 8865.13 8712.13 7007.83 9296.73 7309.86 7180.68 9168.46 8856.84 6881.46 6590.13 7472.14 7339.7 8730.21 9868.33 6788.85 7620.81 9518.49 6169.21 7520.04 8992.27 7123.58 7711.16 8445.74 9579.02 8987.96 8532.1 8524.59 6423.9 6645.52 6743.2 6679.48 4376.01 3091.9 6984.17 3826.71 6565.08 5850.23 6775.82 6176.94 6194.14 5921.6 5892.85 6765.81 6705.18 6040.61 6076.54 5846.31 5340.12 5609.92 5823.25 6052.17 4466.23 7560.54 7668.15 7461.67 7667.3 7235.3 7498.54 7483.96 7621.05 7763.02 4,5-DIDEMETHYLSIMMONDSIN 2009.04 1707.36 1864.49 1999.48 2348.93 494.7 3192.58 2301.76 1802.92 2762.41 2482.85 3209.34 2709.61 2430.23 3215.48 4996.02 2269.88 4005.49 611.72 2898.08 893.1 1839.61 1837.47 2841.65 1761.94 860.89 3803.83 2219.94 2128.26 2650.88 1832.38 3745.59 1620.72 3621.87 3335.51 2130.62 834.48 1762.82 2834.35 583.85 1682.67 3100.89 1814.9 2768.59 2352.54 1562.88 946.15 2349.85 1365.44 5241.14 2370.57 857.39 2751.45 4161.53 1400.36 1847.18 1570.44 1718.51 1967.32 1693.41 2273.63 1695.57 1788.28 1555.57 1622.07 1148.4 1690.84 3207.08 3283.07 2121.71 969.6 2892 4825.52 884.69 2808.18 2081.33 2566.3 2375.41 2766.31 2527.73 2583.29 2435.25 2566.02 2528.48 Perillartine 11793.23 8915.86 9799.61 6487.66 5996.29 1571.32 1280.13 9193.01 9796.63 8019.62 6813.83 6464.98 3526.83 7400.08 5554.02 6093.22 8237.05 10088.78 4491.12 8343.22 17742.72 6022.34 6836.74 7893.61 10234.41 9284.92 9710.3 10181.01 5540.28 16285.15 14963.93 5175.8 7162.63 5812.59 8696.69 6473.92 10183.25 6356.17 7707.47 7968.54 7102.26 4868.46 6943.87 7635.29 7603.05 4894.99 7605.38 5507.51 5898.44 4909.49 6685.47 7327.14 6105.97 4049.05 5465.77 7075.92 6977.66 8613.3 8107.11 7794.47 9594.13 6652.97 7813.47 7709.36 11684.33 6832.42 12705.65 6599.24 8477.01 9033.29 8007.59 6438.83 9323.11 7223 5499.5 1997.42 2719.72 2322.74 2295.94 1412.85 2478.94 2143.45 1797.87 2759.21 2549.59 2735.54 2100.61 2467.61 2549.13 2108.64 2824.32 3653.97 2201.15 2277.74 2293.72 2422.48 2068.52 2138.86 1832.41 2287.37 6535.72 6725.09 6725.2 6715.04 6286.75 6548.99 6710.77 6683.46 6824.81 Isobutyrylmallotochromene 1523.83 742.77 2432.92 1874.24 1200.99 1776.63 1163.17 2204.52 1861.78 3552.88 1487.08 547.63 672.29 1988.81 1425.17 1681.58 2188.61 828.38 886.52 841.9 432.19 1426.87 819.76 1594.46 1447.65 4234.74 2339.93 2462.84 1403.85 1469.17 1426.4 480.28 1673.98 724.84 967.25 1109.98 2128.77 939.68 3069.61 996.91 1122.53 785.66 1153.54 2854.62 629.83 2373.61 1385.58 1322.05 1485.2 2158.71 2973.74 1644.4 865.8 517.86 3755.91 1660.97 2192.81 790.41 2353.58 1487.35 1783.94 1829.54 1426.08 1056.56 1613.65 848.05 623.22 2905.16 604.91 1580.07 1705.16 2304.79 2666.72 1480.87 625.37 1836.46 1853.08 1802.29 1815.39 736.29 1813.88 1896.69 1716.56 1696.29 Robalzotan 21674.19 13175.62 11657.81 14309.43 22398.28 22448.52 21107.25 20582.92 17206.57 14083.62 13267.47 11736.97 12404.51 19374.98 20072.44 20222.77 16265.94 16543.49 32472.75 10857.91 21646.89 15168.71 8448.82 16181.54 28335.48 25438.77 18906.81 22734.27 29862.49 10393.99 17953.92 38563.45 11867.64 15949.54 13149.23 25478.56 21062.45 13069.62 14447.08 13169.63 22365.5 19875.4 12579.78 12139.01 16973.19 15713.6 33391.77 27475.64 17464.27 35544.66 16029.08 21351.79 18688.94 19677.11 5536.9 17917.86 12419.87 13363.61 22428.06 2502.99 12042.72 13449.97 19097.9 11261.93 18305.67 19374.45 24126.12 17187.42 16001.02 18958.01 14827.54 15084.88 7595.13 14922.18 15085.36 14316 16432.85 15540.73 15560.78 15230.48 15521.31 14420.32 13830.74 14519.18 1,3-Butadiene 4053.39 3786.61 7653.63 8987.98 4661.18 3629.85 8936.06 5704.63 4653.79 3933.98 6856.3 7480.35 7661.98 5144.26 4186.98 5036.89 4408.46 4168.13 5547.23 4168.59 5575.47 1537.94 5171.51 5109.28 5045.11 2910.17 4107.91 4590.49 3178.22 1490.67 3132.25 3546.93 1990.19 5362.62 5228.15 3458.05 3495.71 2800.33 5191.86 4161.69 809.51 2976.16 4414.6 3700.78 3791.44 9892 4122.29 4226.8 5726.27 3155.31 6546.25 4846.6 6202.8 9311.74 5219.12 3421.23 4687.97 3776.05 2338.76 3519.86 3785.65 3900.64 3945 5211.55 3775.58 4496.46 4169.75 3751.34 4255.75 4197.19 3773.27 3453.93 4625.05 5597.91 6313.07 4429.67 4467.7 4545.4 4431.72 4386.13 4482.97 4420.09 4524.58 4482.4 Chlorobiocic acid 1099.61 548.66 553 681.67 471.16 765.36 494.77 810.35 531.94 458.21 671.92 453.42 464.65 647.28 475.89 720.5 260.74 612.38 571.13 396.82 753.02 631.72 442.17 821.21 550 486.04 714.9 468.36 932.42 1151.48 1131.3 733.42 765.26 475.65 618.65 266.5 568.13 395.28 470.18 1355.05 515.47 335.46 1177.98 1140.4 1147.99 760.34 724.46 652.04 708.5 394.52 260.17 741.91 626.32 1086.08 744.69 624.8 265.48 489.4 834.1 441.14 422.9 646 594.42 886.37 1049.49 649.55 1028.67 774.66 1078.37 601.37 460.39 327.29 1723 1035.82 772.21 1071.38 1310.98 1338.3 1295.82 1102.08 1218.06 1584.38 1186.6 1337.01 3-Bromo-4-(trifluoromethoxy)phenol 3177.08 3893.68 2474.93 3039.11 4586.81 3288.6 3117.47 2865.77 1373.13 2101.21 3171.62 2325.32 2604.81 3515 1785.86 3398.7 3339.89 1894.83 2391.91 3246.65 2289 1828.79 1351.66 3102.72 2008.17 5170.2 3229.59 2672.66 3241.27 2457.57 1923.07 4376.15 2126.28 2178.76 3434.48 3184.69 4632.24 3345.92 2933.15 5908.03 4045.15 3142.97 3706.3 3448.02 4480.03 3511.57 5175.43 1530.33 3439.89 3100.35 1806.64 3221.79 4388.39 3355.77 4534.05 3479.15 3240.38 2934.84 3383.28 2095.31 3530.78 3563.55 2862.54 3594.52 4406.59 2877.76 2989.26 4174.12 2707.63 2764.42 2939.11 3177.87 3456.51 3329.91 3687.81 3246.07 3461.93 3272.67 3379.37 3581.24 3471.91 3166.42 2729.7 3624.3 Ibutilide fumarate 771.21 1213.42 764.92 1142.86 2271.54 1202.96 834.41 1762.23 1697.37 1769.75 749.29 1521.44 433.56 2329.77 1137.83 1013.39 9598.83 369.02 659.2 1054.02 1976.8 1230.37 546.8 650.21 1203.81 1266.13 1197.57 504.97 3065.19 3269 1054.44 1188.57 1271.34 901.65 991.01 5017.8 1785.05 1870.07 782.72 816.43 3107.4 2582.81 1342.72 915 2956.14 621.36 6924.77 2571.36 2391.51 3163.64 923.17 1689.36 868.11 1135.51 823.89 1467.19 406.37 677.89 1059.7 1334.65 745.28 671.59 1565.86 1174.96 417.88 2126.64 2593.39 756.15 530.01 1972.62 836.76 946.47 615.81 1673.49 1412.09 1682.24 1723.6 1781.42 1705.8 1517.78 1796.61 1761.01 1834.43 1787.3 Benzyl isoeugenol 1103.2 1391.81 818.47 1143.93 1439.88 1018.28 878.85 396.69 1418.25 865.17 704.5 1160.81 903.84 1495.56 1037.93 1703.46 820.02 4146.98 912.13 939.2 455.58 1355.35 1132.35 1090.81 1260.3 1371.3 1664.8 2021.83 1375.71 1127.05 572.21 738.07 1306.31 1199 830.58 888.58 1021.16 816.37 2159.35 697.98 811.46 882.96 1473.75 1036.81 1331.12 966.63 728.79 872.81 801.12 1152.94 697.57 1005.03 1890.92 1143.34 586.52 1024.01 855.17 810.14 1020.9 808.21 1068.69 1205.07 1837.34 1259.93 1611.66 1804.7 992.44 1091.98 1383.33 1553.85 1073.35 1681.97 557.79 1232.88 571.31 1432.77 1484.38 1701.41 1345.91 1479.01 1469.44 1307.04 1500.47 1467.83 Cardanoldiene 227.97 364.66 218.99 1820.17 5843.28 9651.59 8211.83 351.16 394.56 155.56 235.98 166.28 1064.59 343.01 107.24 342.18 392.74 127.07 486.13 356.35 101.4 127.1 269.36 263.49 117.59 520.53 365.83 438.18 178.03 211.88 303.53 151.26 108.17 96.94 243.54 328.91 629.16 365.24 192.05 141.89 4104.28 553.66 207.05 102.55 278.52 261.98 385.28 169.86 235.36 111.19 738.6 259.72 202.65 501.54 580.84 332.61 474.2 304.38 346.06 933.55 214.22 609.99 299.39 149.92 217.63 231.09 618.86 382.42 437.46 661.15 313.52 327.84 236.8 348.73 405.94 1787.68 1728.88 1742.07 1747.19 1917.19 1794.7 1720.52 1718.11 1717.42 3-Dihydropyridine-2,6-dicarboxylic acid 3129.28 2071.91 2212.81 2383 1848.08 1088.62 1915.19 1905.55 2943.56 1456.22 478.92 589.1 1350.6 2622.78 1315.31 2986.2 1840.64 1674.45 1359.31 1156.91 2371.78 498.7 790.26 1675.53 2783.28 2379.76 3156.87 2383.59 2078.89 1090.26 1733.46 999.05 807.54 2986.62 1935.65 3653.88 1936.67 547.77 1750.62 1253.98 1441.86 1613.06 2159 1230.22 1695.57 946.4 2019.71 2776.11 857.59 812.34 1342.75 1222.48 2253.4 1515.62 698.53 2304.57 1097.26 771.59 1762.62 834.33 1692.58 1483.34 2448.09 1589.48 1421.68 1407.36 1306.27 2647.6 2601.31 3157.19 1305.09 2034.63 824.88 891.89 522.53 1855.97 1820 1739.73 1734.14 1834.23 1821.62 1791.54 1798.55 1651.7 2-(Diethylamino)-1-phenylpropan-1-OL 2518.46 2850.31 3007.64 940.07 1379.64 723.43 1370.51 728.93 908.25 590.78 2629.66 2261.69 947.9 1223.2 974.95 1371.12 1854 1075.66 1561.27 1265.91 1015.08 2164.99 910.38 2911.63 3195.35 1065.14 1931.28 1930.02 1172.99 1653.27 1485.8 1991.17 897.51 2563.55 3465.97 2808.76 2983.57 1194.8 3124.78 2211.93 1291.34 1201.15 1763.15 1669.57 1333.21 1391.53 719.26 914.15 1298.97 1494.63 1204.85 1175.19 896.11 1125.8 817.89 2088.08 1493.64 1855.55 1138.71 1285.27 939.81 2200.81 1178.26 933.53 1811.04 1361.49 1981.77 701.3 1536.24 763.48 1935.59 1186.36 1636.87 1366.59 704.05 1082.84 1185.7 1107.76 1163.62 1205.74 1102.87 1187.84 1301.97 1118.01 Nidificene 28251.7 30689.72 12098.35 7636.72 18314.8 10772.01 7639.31 21390.31 17604.73 42866.02 7924.96 30272.07 22259.58 20505.24 18883.67 9450.97 10898.54 14133.52 25971.8 11279.37 10316.87 4434.01 13076.34 16455.23 23601.93 14229.17 18586.16 19460.21 27055.23 7562.75 17386.74 5823.45 8845.59 17016.12 6868.66 42377.82 12548.5 12091.46 20575.05 55653.54 22526.03 28343.32 15006.49 12623.73 17409.01 8370.34 11230.77 25725.89 60156.29 13636.16 26738.24 30870.28 17144.06 11962.72 35736.06 19677.77 10359.56 6542.23 12827.53 12285.22 22032.6 37041.32 11099.9 3739.26 5638.35 39388.64 25723.93 30949.08 36050.62 9411.77 8494.15 8863.8 10074.48 10320.22 4774.62 13866.65 8666.87 12185.91 14149.27 10975.13 27096.6 11833.4 10745.03 24095.51 11950.53 9769.91 10501.91 9108.56 10178.96 8812.18 12704.53 11302.93 11176.45 8540.57 10254.39 10260.28 9051.75 9784.08 8503.75 10327.55 14790.95 13143.37 14167.49 14489.69 14141.52 14189.43 13732.84 14480.85 14573.72 Methoxy arachidonyl fluorophosphonate 14947.31 6147.01 11266 14733.91 192659.43 172467.43 64704.02 8495.57 11200.05 7013.03 9158.05 5558.02 13358.89 9710.82 10386.25 15687.24 6556.18 9078.43 22581.56 12783.26 14571.06 2651.97 14633.67 12999.29 16322.23 9972.22 14891.4 9697.37 18507.07 7834.97 8082.3 17966.94 9209.04 873.38 605.36 8443.42 1070.66 861.8 10165.28 1561.52 43852.52 5468.58 1815.4 380.29 858.8 2354.14 8081.32 14767.18 7623.56 13283.85 46505.46 10950.62 7639.29 1634.42 14644.09 9847.58 15650.98 8526.23 704.08 2290.09 9895.08 1944.43 1074.12 9391.99 7295.43 1022.37 1055.86 2730.83 11874.4 8606.02 6311.01 25018.38 781.63 1222.11 1311.55 17524.16 15774.43 16183.68 17447.69 17476.42 16208.15 17891.73 17693.31 11699.11 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 2315.59 10836.45 5007.47 6933.48 12107.41 2108.71 1153.39 1931.43 8089.62 3871.41 4946.37 1465.85 2268.45 1353.9 8719.61 4335.27 3392.15 5059.37 1142.05 3474.36 7846.36 4309.74 4774.03 6463.36 6597.43 5944.98 6322.55 5462.75 3516.96 3349.4 3420.55 7188.75 6749.17 7820.65 3547.36 1848.71 7469.75 8432.44 8055.86 8154.23 5315.24 6909.04 9896.23 11784.31 5773.78 2426.06 6457.64 6810.52 4534.9 8332.81 4724.33 7652.23 8314.1 7537.97 9487.22 8146.1 15426.73 1697.75 5532.18 6639.03 5411.8 5686.81 10101.43 6943.35 6965.51 1459.93 4250.05 7104.58 7427.72 3997.63 1721.5 11917.72 9786.48 3003.4 4396.3 5554.33 5485.01 5097.91 5041.64 4513.36 4888.16 5421.23 5287.5 5430.31 3,5-Didecanoylpyridine 4340.81 4666.83 1694.28 1068.08 1195.42 838.63 697.24 3114.52 4030.07 3329.38 766.21 3596.51 944.49 892.15 2162.86 2800.86 1338.51 3573.27 3998.69 9374.2 3563.65 1833.88 1156.22 1046.57 6569.52 5039.54 1933.69 458 2048.69 3565.14 5493.13 3245.2 4172.25 715.17 1091.07 4536.87 3999.98 3786.71 2014.99 1809.72 3612.83 1943.38 1300.82 1582.22 4602.79 2044.79 5785.67 4392.29 2009.05 2452.65 2694.01 3713.57 537.46 1222.95 1944.75 6360.32 4388.6 1435.67 2107.02 1996.85 2849.52 1265.92 4217.73 1689.31 1377.17 5413.48 3891.25 2191.99 2410.17 4047.38 8078.6 2389.65 1201.82 2105.67 2128.49 8801.42 8802.16 8705.37 8522.08 8652.44 8607.08 8585.78 8554.95 9593.09 9038.42 8343.03 8899.0 9249.65 8739.9 8844.53 7005.79 8929.14 9357.81 8950.09 8906.84 9422.27 8960.66 8700.29 9121.26 9050.56 3112.06 3147.78 3281.23 3265.01 3090.87 3239.17 2113.27 3261.55 3146.25 Sultamicillin 1912.77 2688.34 2001.29 1922.74 2234.7 3808.08 1542.79 5216.62 1673.77 945.09 1434.75 2410.63 1251.55 4688.8 2989.15 2875.81 2408.01 1924.54 2768.89 2789.16 6179.04 1084.51 1475.58 3663.11 2091.06 4971.89 7173.56 765.68 1928.44 1922.98 3363.98 3327.9 883.72 1843.32 3233.42 2301.57 4644.03 1544.15 1167.36 1431.21 2831.65 2481.72 1424 1309.69 1716.7 2416.18 1823.12 1315.75 1773.46 2833.54 2435.33 1125.24 2272.91 2601.95 911.44 4463.88 2851.61 5223.6 1237.34 5182.34 1957.81 4458.2 2374.47 1523.83 985.59 944.53 660.19 1919.33 1161.08 3880.16 2941.36 2445.1 781.66 1772.16 957.23 2660.55 2267.53 2640.1 2683.72 2679.75 2516.87 2454.5 2526.22 2702.83 N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]octadecanamide 3212.96 4615.76 3445.18 2237.71 3448.75 10187.34 5799.87 4216.92 3934.76 6270.4 4176 3743.96 3339.11 3741.95 6427.47 5107.49 702.71 3324.41 1406.17 3793.73 4128.17 9486.84 1530.71 4384.59 3564.42 4801.49 5360.45 3244.01 3972.59 5631.09 5465.24 4831.24 5025.73 7070.9 3084.47 3546.1 3459 3939.76 2661.08 2693.06 585.93 7523.43 3270.26 3750.67 4366.12 1865.49 6711.47 5192.08 4675.35 4069.49 3362.23 5696.05 3038.48 2918.94 875.6 5696.75 3550.49 2853.07 4192.03 7647.79 2744.37 2043.06 4961.48 3409.01 2851.81 5665 8547.48 3657.15 1063.42 3558.14 3541.48 4842.7 1646.63 4053.83 4677.63 3650.85 1084.25 3421.06 4134.07 3437.76 3487.46 3427.07 3428.01 3652.26 N-Methylmethanesulfonamide 6104 7356.33 6364.34 9000.13 5967.41 4257.09 9029.64 8539.64 6873.91 5421.43 6786.28 5567.02 5013.27 5582.98 10564.57 8299.39 5938.45 9668.96 4694.1 3704.61 7729.85 3423.91 3249.76 5778.05 5890.4 3495.44 5011.68 3498.32 4538.72 4125.11 6717.8 4819.29 4162.23 4657.61 5856.8 4522.83 7248.37 1844.79 5865.04 8945.04 576.7 2028.64 6751.75 7611.18 5449.96 5786.67 8858.23 6382.22 960.27 4995.64 4708.52 6904.59 5666.22 6629.03 6769.21 9205.11 8656.14 7043.69 6073.52 5372.38 6600.9 7280.94 10251.58 9825.15 6294.11 7493.83 4916.35 5226.29 6497.24 8525.05 7698.92 3827.89 9061.71 8751.07 11539.57 5841.68 4377.73 5747.72 5675.06 5614.91 5789.68 5760.38 5618.86 5759.88 Tomentosin 2332.87 2315.67 496.69 2074.1 1413.3 4372.07 2229.1 3939.8 3138.92 6983.22 1762.12 3243.52 3414.34 6100.17 2782.1 3795.18 579.39 9494 9477.43 11652.69 2547.48 5067.22 416.84 536.82 2177.9 3247.47 1874.82 3067.9 2587.32 1370.72 8785.15 14877.92 2637.88 2439.35 1669.86 5576.49 3104.82 1814.31 2148.86 510.77 8186.92 5370.3 1365.1 1917.66 10517.55 518.62 7273.13 3952.29 2390.93 3926.95 1891.11 3163.8 1860.95 2749.91 2106.02 3308.07 1439.67 1671.04 3947.27 1099.88 440.84 543.01 1685.32 3035.85 3169.7 5559.13 6224.2 1935.11 1119.01 835.2 1667.48 940.33 1730.45 3215.58 433.55 4403.64 3587.96 3070.07 3476.57 2287.46 3013.35 3046.13 3517.46 3175.54 JWH 210-d9 1405.37 1192.69 1153.64 1612.75 1361.99 558.79 2208.81 1022.05 1825.12 989.79 786.13 1801.72 657.27 1114.91 871.09 528.04 571.56 451.39 2310.58 2032.76 2684.93 840 909.16 1497.62 2032.7 629.67 657.49 981.8 1884.84 1260.45 662.99 1020.77 1730.96 1056.4 564.36 1242.64 1239.34 929.21 651.66 990.64 1348.76 2672.23 665.52 1164.05 1973.55 442.82 3183.83 1477.03 935.03 1008.85 1163.81 1202.27 650.91 895.76 1045.08 933.82 982.95 794.48 608.32 1208.09 500.39 1086.06 584.37 594.27 751.8 1353.53 376.02 2223.58 1762.07 2385.63 1122.66 680.34 1007.61 459.83 2482.35 1125.8 1312.12 1276.92 1251.09 1272.16 1231.97 1215.4 1398.91 1120.1 Carpipramine maleate 1088.62 946.24 2909.42 3529.73 2749.67 1237.05 8230.62 1779.9 2183.18 1438.53 1298.26 4130.04 10552.9 2352.64 1203.07 2068.02 1481.41 1248.89 4511.62 1680.42 1634.36 742.04 3346.4 2840.38 3113.1 1351.4 1557.09 3511.25 1200.46 2414.79 1135.45 2348.99 786.04 3141.42 3406.96 1701.89 1145.52 1802.06 1538.44 2567.59 1495.47 1304.54 3883.45 1515.62 762.12 8918.25 1991.17 2173.06 5373.91 2325.48 5625.12 1654.49 4096.66 10864.47 2027.52 810.85 1559.53 1264.16 960.34 1374.97 1360.32 2064.36 1515.52 4057.24 1368.83 2837.96 1182.46 1430.32 1548.78 1176.28 1072.1 789.82 1898.97 3574.31 4549.63 2211.86 2309.34 2212.59 2213.53 2137.08 2241.74 2275.58 2244.57 2206.91 4-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline 11866.96 5748.88 8705.62 5973.94 453.45 2444.25 1688.89 993.23 1228.28 1858.36 1462.33 911.98 3236.19 1307.05 1183.24 1843.98 3646.05 1185.14 1567.34 2988.41 1169.99 3650.93 3287.77 3619.39 1049.9 401.02 1795.17 630.38 1497.12 2383.77 562.01 1802.3 3209.05 2187.38 2347.37 1704.36 514 4290.36 1281.89 2086.22 1987.57 1106.67 1786.3 965.36 682.47 1244.62 632.8 2376.71 3116.32 690.41 531.69 5855.6 1255.83 1418.19 1470.86 4827.92 6208.85 6047.7 1595.29 7938.55 2991.46 5664.35 495.31 1516.39 1490.57 2178.42 901.55 785.71 586.74 923.09 1383.78 1411.04 2072.03 4375.51 566.66 2326.04 2387.61 2291.2 2331.36 2362.47 2427.61 2360.42 2328.23 2349.46 N-Desbenzyl N-tert-butyloxycarbonyl Donepezil 291.68 128.74 127.04 3294.02 19230.03 20484.03 12521.16 623.22 413.79 93.9 267.11 372.22 260.48 270.31 182.66 421.78 219.99 176.1 434.99 128.54 280.8 94.14 639.23 389.93 144.01 241.64 257.96 131.55 199.89 279.04 79.21 251.77 92.44 481.74 405.03 192.99 172.55 424.75 158.03 407.46 4963.66 1363.56 154.99 185.13 139.56 1739.56 492.19 98.27 272.23 310.86 168.61 412.41 219.25 529.55 351.11 202.15 181.21 397.37 426.5 1470.74 365.65 646.01 128.18 150.9 125.03 502.64 156.79 122.96 122.63 258.97 122.53 330.09 118.33 587.08 364.12 1668.85 1910.89 1821.65 1816.36 1849.68 1842.2 1942.66 1864.44 1854.97 Clobenzorex 4794.16 5457.8 2799.09 4805.93 5356.37 4173.35 2557.65 5900.55 5872.11 4963.7 4567.97 2945.08 5620.13 5818.84 4649.96 6793.66 5559.03 2309.3 6501.04 2443.43 4253.66 4635.68 4050.55 3528.07 4583.58 5588.82 5190.69 4523.33 5736.17 4567.92 4896.35 6165.59 3619.55 4668.81 5288.27 5113.63 3816.89 5867.68 4053.49 4929.88 4041.41 6150.08 5916.68 4798.08 5700.57 5136.53 3716.6 5285.23 5665.27 7098.24 5593.7 5899.17 4714.75 6544.35 4385.95 4670.39 4468.83 3859.56 4770.07 3662.56 4137.85 4473.24 5830.9 4806.98 2906.65 2685.47 3932.09 5113.08 5357.15 3432.26 4317.72 6144.1 3505.95 6657.11 5227.91 4380.57 4479.46 4445.62 3631.64 4297.01 4885.5 4492.46 4040.74 4481.09 Protocetraric acid 404.32 2869.95 3459.44 3815.07 519.06 7972.71 2397.37 863.77 3155.53 2671.21 2018.66 1551.88 6247.51 3458.89 533.42 448.65 4706.74 981.84 578.5 1746.81 2316.65 2319.85 3410.86 11259.03 1910.59 5125.69 2856.16 1936.02 2222.18 460.05 2538.58 373.79 1669.93 10843.7 2860.5 1197.94 2037.04 7039.32 653.69 2482.64 4188.79 864.06 519.57 872.81 1546.89 2298.28 1195.44 2963.97 2888.09 474.89 1166.14 11406.21 3540.25 2190.23 494.19 3190.81 4467.82 3662.3 1551.54 1128.4 1956 10890.3 2403.35 4393.16 908.46 583.47 780.83 562.97 433.73 535.82 615.64 1379.68 438.29 6241.74 3154.38 3177.78 3274.79 3258.77 3435.19 3930.39 3612.07 3400.4 2837.96 3260.73 5-Hydroxytryptophan 2532.55 1310.38 1169.43 1253.16 1341.42 1793.46 1599.55 3162.08 492.09 944.11 865.73 1245.67 1181.46 774.21 1708.43 718.49 957.75 1122.41 1223.96 882.41 1339.23 1075.12 563.9 1302.29 488.29 1552.47 1098.86 399.24 1258.1 1078.75 464.2 741.45 1930.11 470.86 1228.11 3954.79 1150.27 3184.62 1182.73 900.15 619.52 996.69 850.99 1007.87 1234.92 506.42 658.56 1241.41 1067.44 1753.69 888.31 1420.14 442.54 1008.78 2652.85 2038.37 1297.4 1253.62 1176.96 1745.79 453.77 1324.16 1880.9 791.82 1145.99 1143.92 1408.08 1381.41 790.15 1651.73 579.2 1152.07 742.74 895.41 2064.78 1428.6 1444.24 1488.96 1409.71 1530.83 1437.88 1541.14 1531.57 1234.07 2-(Methylthio)ethyl glucosinolate 637.03 1529.53 1683.33 847.55 3852.93 1957.56 4464.93 4214.22 2534.26 2506.9 678.29 2834.29 6002.4 2967.93 1064.22 1634.15 504.28 1566.31 2865.29 2504.46 543.37 1762.27 1709.18 967.87 1623.78 1928.26 1685.56 1527.45 3329.41 3002.93 1140.46 572.71 760.88 2343.34 544.37 2768.32 866.12 1250.25 1366.1 1915.26 1109.61 1376.6 1697.25 1748.72 2129.09 1359.12 2943.19 2807.01 2727.95 2145.22 1867.78 2391.7 1495.07 1234.7 575.66 1035.7 1312.18 1096.01 676.82 1005.59 1116.48 1832.3 1454.98 2966.52 985.1 1776.01 1224.52 1266.96 1859.27 1279.74 1178.1 2221.89 1036.53 1234.58 998.52 1674.58 1395.48 1514.76 1676.11 1714.88 1627.44 1565.71 1654.03 1701.92 5-Amino-1-methyl-1h-pyrazole-4-carboxamide 2804.24 3114.21 2990.91 2245.06 3662.69 3885.52 4051.03 4213.22 4132.06 3618.53 3185.41 3204.44 3395.15 2602.31 4059.45 3720.32 2418.2 3864.89 3596.68 4133.2 4197.68 3051.5 2796.59 3083.08 3450.54 3965.06 2870.44 2830.22 3968.26 2445.61 4026.28 2736.09 3238.65 3739.65 3027.32 4640.63 3959.61 4544.12 3219.19 3128.01 3984.72 3731.28 3189.5 3178.23 3584.16 4026.58 4531.76 3481.49 2723.29 4139.97 2650.22 4221.68 3194.35 4299.64 2551.68 3098.1 1442.39 2309.89 4942.74 3025.21 3055.06 2975.79 2957.68 4258.92 3095.48 5248.57 3775.87 2964.15 3072.61 4787.53 4292.62 4105.25 4838.75 3809.05 3330.04 4231.93 3885.93 4062.42 4072.04 3959.08 3958.49 4061.2 3869.1 4064.69 Glucocapparin 1713.87 3251.13 1153.68 1107.41 1183.32 829.06 1019.17 3591.92 4336.56 1361.65 984.44 634.74 1364.13 1058.73 4104.45 2105.75 1347.75 480.77 1325.67 1270.78 1118.93 393.09 974.16 1456.74 2020.5 1969.6 1048.57 437.7 2641.71 1267.32 1051.79 1255.32 3185.87 963.42 752.12 2327.13 2893.52 1299.54 1619.49 1190.61 1409.45 1468.04 1649.91 1160.21 1713.56 1020.19 4954.52 3069.73 960.02 1424.11 1087.72 928.08 1259.58 923.86 1792.97 2665.81 1246.67 822.19 2402.57 1694.06 1957.17 977.39 2140.92 2457.09 2595.24 491 346.95 1030.12 1873.78 4027.51 3012.84 1086.21 1604.34 1068.63 1282.86 2245.28 2152.97 2244.61 2130.77 2154.53 2248.13 1493.76 2244.87 2251.78 4-Chlorochalcone 3052.7 5409.4 2757.2 3038.08 3166.22 1252.52 3383.84 2991.98 2352.51 5287 426.76 1707.68 865.07 3157.63 3352.25 3972.14 4080.61 3482.28 5984.31 2605.37 2150.81 4324.28 705.13 2756.44 1803.88 8878.69 5971.7 3533.45 4291.59 3241.1 518.15 4753.26 3315.52 395.51 714.87 5232.32 1593.33 5745.44 2156.77 1809.27 615.63 2544.72 2019.54 3131.99 510.41 2962.63 2920.5 2984.07 1922.39 3480.36 1694.05 2413.11 472.69 1141.39 2894.02 4611.49 3608.9 2428.45 3798.78 6173.09 2889.89 1552.99 3286.71 950.23 2292.16 1186.64 1809.82 4823.75 3065.62 3419.16 2992.56 2743.84 729.29 3126.69 4673.67 3923.27 3834.51 3872.39 3860.28 3852.54 3872.51 3833.61 3844.92 3815.91 ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate 1539.62 968.98 998.91 604.89 410.44 818.72 943.95 589.05 727.33 1584.71 649.76 767.05 555.99 945.21 971.68 741.66 622.99 616.52 582.81 857.88 884.38 1037.98 705.66 972.29 985.2 559.81 1109.56 510.7 570.79 2405.88 662.96 812.66 859.66 747.94 779.56 1346.96 1912.14 396.59 585.58 585.27 3153.88 677.26 508.68 580.85 539.24 752.12 744.55 908.73 564.23 719.16 1087.74 406.7 924.83 428.1 870.66 563.47 885.8 807.09 1730.45 471.84 480.37 1438.71 454.05 465.04 807.86 1305.16 811.73 992.39 1084.95 675.01 1824.53 371.14 764.65 530.81 673.69 1279.96 1171.09 1210.55 1227.96 1138.07 1211.3 1226.1 1177.61 1181.9 Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone 5864.68 4153.1 8072.5 3716.15 6375.19 4707.26 11522.01 10565.31 7816.56 6473.33 8085.16 4702.44 3674.65 6613.4 6942.58 7395.09 6552.26 6537.98 3241.48 8288.78 4344.99 3513.48 5717.5 7159.39 7164.12 5159.59 4472.8 5289.95 5841.71 768.08 5287.33 6601.25 5019.11 4329.91 5691.08 4075.96 6006.88 4453.93 5468.54 9047.71 3246.72 5035.78 4172.4 4134.79 5071.18 7514.05 7188.4 5518.09 7423.45 5814.49 7181.15 1995.17 8705.23 9970.37 7259.4 4013.08 8214.21 8891.53 5369.04 4319.06 6226.32 4592.98 8293.02 9792.02 6986.75 4900.6 3816.45 6341.64 2430.16 7526.95 4517.11 3976.07 9704.7 9465.57 7245.29 5947.94 5923.81 5909.7 5926.99 5849.54 5801.4 5865.66 5360.7 5798.82 Dimefox 4801.1 6987.56 5086.73 8055.51 6055.83 17961.38 7199.04 3545.04 1246.19 5082.31 5475.47 1121.43 11522.68 4117.16 8539.31 1607.91 2788.97 2212.57 2937.79 12036.28 9926.68 15738.71 1476.59 3137.76 7098.56 3434.72 4628.44 917.7 1677.78 835.41 1587.76 980.84 5577.74 7873.9 3778.97 3670.16 4537.24 15566.29 8190.75 5616.89 4638.1 9187.93 7618.45 5179.36 3182.79 1892 4566.67 2231.79 1217.75 9232.53 5749.66 5855.19 987.89 4809.06 6201.14 7413.72 5010.64 903.25 7107.49 9844.58 1865.52 4263.02 7747.61 3145.26 6860.4 5561.41 10176.64 5816.96 2101.4 7212.82 3715.18 5424.01 736.1 2168.43 11126.32 4669.87 4990.36 5729.07 4925.85 5717.68 5585.74 5805.4 5730.22 5818.31 DL-Ornithine 12463.17 11096.35 8139.93 7911.16 12665.18 12986.64 8023.54 6487.33 9453.04 9285.29 10356.75 8915.36 8667.88 10131.18 11356.75 9648.1 7402.18 5903.87 11852.15 11083.63 11021.6 7814.89 8418.5 16988.6 8841.7 10820.55 15775.23 7605.77 10095.82 6538.04 9952.09 10740.87 8920.29 7090.96 7701.82 7082.27 5192.64 8415.67 6760.65 4396.63 6959.55 11005.45 8598.83 9097.65 5363.55 10240.29 4046.32 7474 7115.59 6645.61 4933.03 8255.24 5956.79 8174.62 9443.9 9125.99 10268.64 7511.9 4972.29 7662.94 6824.76 7031.23 9147.92 5302.92 6644.59 7000.86 5268.37 9238.5 6306.13 7102.9 7641.18 6495.5 7914.32 6470.54 11157.14 7758.38 6981.04 7326.44 7561.95 7426.53 7727.79 7288.43 6983.73 7560.87 1-Acetyl-2-pyrrolidinecarboxamide 20814.05 3465.07 13501.35 769.06 17514.8 23180.4 36583.48 37451.44 25073.31 16819.43 3550.65 19486.06 1044.79 1671.82 4919.61 8980.97 9527.53 9119.58 3127.74 14287.65 7211.58 40993.68 2225.65 10681.01 6415.79 24173.02 14087.65 15137.12 26645.96 10212.44 14183.37 25787.33 27998.55 16063.31 18645.6 19920.06 33280.9 15077.65 1843.23 723.18 17838.06 16384.59 25477.53 2945.22 21145.17 17673.65 9531.2 4751.63 1360.27 28298.79 10923.83 6566.78 17685.41 1898.53 9070.11 25539.04 2212.73 10456.9 22414.93 17035.08 19626.68 1969.29 22838.61 2798.97 16484.78 3470.96 23947.39 6852.12 4401.74 18573.75 36983.27 50057.35 1821.71 5127.37 20547.26 12135.75 11286.27 8767.45 11023.49 8754.9 9985.08 7830.13 9678.07 11643.44 (S)-(-)-Win 55,212 mesylate 5178.4 12345.78 5205.51 1905.23 7402.3 9817.08 11823.9 14190.32 5497 5339.44 2128.03 1272.26 5380.26 9145.87 11010.77 11785.23 3666.95 15164.42 6091.13 14554.88 5422.77 901.68 8368.4 6242.19 5774.78 7360.45 5530.44 5853.44 9763.83 4386.24 6792.84 7641.02 10223.52 9408 5878.81 5129.15 1098.82 6914.37 6486.98 6151.19 7469.44 8313.19 11840.62 6520.42 5859.39 3422.53 25078.91 5710.92 4683.13 7263.49 4420.89 7014.28 5550.36 8300.64 3534.11 13466.85 9533.64 6562.54 2356.15 6700.37 7397.16 8829.91 19141.42 5884.04 948.22 3384.42 9325.58 1589.68 6817.99 13015.68 6636.64 11246.47 5186.71 11766.11 7013.69 7323.48 8078.47 8060.31 7215.16 7145.2 7466.75 8882.49 7161.08 8046.95 1,1,3-Triphenylpropargyl alcohol 1310.98 859 741.65 625.09 1331.24 1021.23 2220.88 729.48 1447.09 1284.42 665.47 2321.51 1299.43 862.13 559.53 1274.29 510.35 1192.31 941.84 956.39 2082.73 689.92 1206.41 2000.01 1877.38 522.12 1166.06 1376.3 1248.93 405.75 746.24 1130.93 692.34 2179.92 688.52 1457.05 1419.75 863.93 1425.42 380.58 1114.85 955.52 1241.18 1076.28 697.99 3642.29 1141.92 813.23 707.81 672.31 1817.53 2046.65 1519.02 1122.21 379.1 505.13 1035.74 842.96 1081.5 1071.97 1088.66 2961.19 1041.45 1196.28 2143.68 1189.42 1076.26 999.11 1157.8 1027.06 657.18 989.34 2527.59 1084.02 866.99 1750.16 1551.31 1563.5 1637.01 1669.2 1588.83 1557.52 1591.72 1668.38 Pentapropylene glycol 8785.25 8217.33 3436.09 5437.1 3392.32 1852.09 2395.68 7828.99 6335.16 6307.67 9336.43 6666.34 915.19 2744.74 5472.54 3853.87 8329.3 7778.89 6968.39 6134.3 4599.58 6176.21 4562.33 8253.78 3534.36 6737.83 3972.54 2120.48 8991.02 5293.82 9482.3 9516.85 4476.26 5669.31 8151.62 8094.34 5719.45 9504.23 7888.35 8953.1 6213.87 4276.35 6468.16 5069.82 6531.33 5410.77 9416.75 6721.78 4611.41 7058.07 4991.47 8431.49 5032.31 6359.36 6673.14 5598.71 4316.73 5900 5348.43 6628.51 5901.55 4745.38 5287.14 6330.7 6041.07 7894.45 6441.34 6347.63 6833.01 6205.91 6868.66 4682.37 5803.9 5975.68 3314.8 4377.59 3669.39 4038.66 3491.82 4026.97 4056.41 3720.87 3919.25 4098.12 2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-2,3-dihydro-4H-chromen-4-one 1541.25 279.63 512.86 503.25 2832.72 492.38 710.84 1851.21 1445.04 319.49 669.48 1247.51 336.03 506.63 934.98 273.62 653.94 1302.35 690.49 605.89 983 434.73 770.4 502.48 2566.76 816.42 508.73 1545.31 714.33 2168.43 2918.79 1255.52 345.63 721.48 429.41 2530.31 1551.94 441.08 658.33 487.69 3001.56 2500.79 556.91 660.57 2346.61 1051.32 2732.66 1136.79 2165.79 1065.86 2007.94 306 643.23 707.66 2075.18 400.66 309.26 472.62 1407.37 391.19 653.85 1253.37 1274.45 663.74 763.52 1318.35 762.72 1615.66 2633.61 909.77 337.52 748.05 2454.26 303.19 354.28 1440.74 1523.75 1677.72 1779.98 1185.22 1570.91 1534.32 748.64 1418.03 N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine 1597.2 860.22 1777.6 3286.38 1211.33 1863.48 1131.77 3577.11 2029.83 853.52 1826.51 2660.9 2243.56 2426.92 1471.65 770.68 1534.95 1035.66 2126.16 973.08 1468.15 1203.46 1178.25 2531.42 1387.61 2125.04 1735.33 1873.77 1325.92 1055.93 821.19 1944.55 737.37 1105.76 743.03 1561.42 740.03 632.96 2538.27 2789.58 932.13 1269.08 995.53 1333.97 939.27 2235.99 685.31 2586.19 2038.87 2518.49 964.56 1016.71 2915.89 2576.8 644.39 456.23 830.53 679.1 644.15 1089.18 2369.36 1593.39 1058.32 914.31 1247.18 902.96 448.84 2601.56 654.34 979.9 824.26 3236.85 2972.89 1425.96 2013.5 1633.24 1560.97 1684.18 1523.29 1575.1 1566.32 1838.43 1183.79 1381.62 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid 11431.07 9481.4 13394.45 10377.1 11652.57 5715.47 6493.64 15114.22 13526.63 10450.31 2144.69 7135.77 12307.53 9688.29 8758.17 7961.19 8806.13 8811.76 11876.13 8134.1 9134.29 6744.68 8878.09 10957.86 12185.38 13471.99 12695.89 12248.54 11036.73 7105.02 7848.47 11338.47 8105.19 13627.16 8436.89 15727.93 9853.68 3034.63 10101.8 8080.37 6922.37 5621.34 8331.77 9096.29 10455.88 5595.63 13046.14 11138.53 5421.75 7486.05 7774.95 8218.37 9380.01 4735.48 6413.31 10128.95 9499.07 6946.41 9439.99 4363.05 8223.6 9176.41 8462.77 8304.95 10129.8 10342.39 7152.47 13396.97 11323.44 11178.97 6628.45 7698.85 4448.43 5546.74 8504.54 9669.69 9664.27 9545.09 9596.08 9938.23 9666.8 9543.38 9519.62 9667.46 4-chloro-3-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-furyl}benzoic acid 19864.38 77090.48 50400.49 14776.96 18007.93 8266.12 8412.14 17542.94 13995.66 29541.78 706.87 20946.45 76602.87 17894.25 9876.39 5173.94 8244.13 15691.23 28234.98 6504.45 32025.41 2766.48 14086.92 29496.65 37625.84 15489.76 33395.21 31744.21 26046.74 44068.79 19240.96 12697.26 5337.72 45786.04 7795.88 73500.09 12826.05 4554.65 42151.96 133525.23 32233.42 11951.12 12399.35 12114.14 12513.86 12781.55 9562.85 21599.53 29931.5 7100.01 10721.46 13235.71 20066.1 8414.32 57512.33 17474.97 29488.28 12405.48 6800.32 6782.46 26307.69 67975.3 6322.43 6066.22 7200.07 23427.42 26272.24 56640.58 116556.45 12528.36 4671.96 9368.64 4640.43 8957.04 5222.49 12539.53 12363.34 12540 12543.09 12392.26 12543.15 12540.52 12395.18 12113.21 KC7f2 7278.79 3467.86 1008.79 1132.96 5731.83 1010.88 690.12 8691.48 5249.31 13999.71 4454.42 4831.49 3876.54 1507.82 5815.5 4783.01 2850.64 3963.45 5673.57 2684.2 5449.09 604.19 3320.24 2693.75 9606.36 7958.54 3129.61 6540.04 9829.45 4904.57 4160.29 4276.64 1767.53 4509.63 1987.2 11473.6 1120.17 6086.97 5028.83 7244.99 2635.4 11096.78 4749.18 1331.24 9246.57 490.22 6507.37 8139.07 10010.73 9284.01 8370.78 9678.93 3557.83 1458.66 6805.79 8834.1 1458.62 1204.01 798.09 2389.06 2591.25 6017.66 4388.45 1923.97 921.52 8929.19 4372.29 7068.1 7281.15 5750.56 4699.14 1201.29 2326.86 1835.22 1472.74 5651.98 5484.55 5613.4 5653.3 5476.26 5606.99 4798.04 5589.66 5538.79 Anhydrovinblastine 709.21 483.3 530.03 660.82 649.72 399.06 1049.79 687.91 430.81 693.45 775.79 605.12 416.5 319.51 580.26 1257.95 737.59 468.31 1052.9 324.83 411.99 720.05 518.41 285.91 466.7 647.88 664.9 656.76 827.24 509.61 573.8 635.1 671.54 321.52 1793.63 349.84 556.56 619.46 820.87 1060.92 389.28 840.65 1279.37 1030.54 631.55 662.95 881.6 793.88 641.32 922.16 317.56 474.17 665.16 644.15 363.43 760.29 623.6 856.55 539.54 320.06 464.85 801.69 287.61 761.86 768.89 563.97 717.69 365.19 1447.39 381.36 604.57 1129.27 829.33 890.28 865.3 1096.12 1469.94 1243.68 874.77 1042.07 1389.79 1097.2 1265.68 1154.78 [Hydroxy(tosyloxy)iodo]benzene 3745.36 1446.14 1772.31 1218.88 1580.53 1835.27 543.17 1170.99 3229.94 2337.92 1826.63 974.8 602.03 766.16 1240.67 2192.05 1146.07 1218.97 1075.21 2135.21 929.54 1775.73 1428.83 2263.26 1708.45 1475.43 3182.93 1172.43 1506.16 1292.16 1753.95 598.35 1229.67 3141.31 622.07 1151.38 1093.94 1476.32 3243.52 658.88 1703.63 2332.76 542.06 1279.37 3098.42 763.76 653.63 1057.06 913.74 1774.57 3215.88 834.21 742.1 1559.51 1262.98 631.48 1402.86 1203.97 1637.51 1266.11 1556.05 1342.64 1342.57 1457.69 1466.99 2775.96 602.3 3167.9 526.28 623.16 2797.93 2781.66 1738.49 864.55 1587.55 3276.87 3071.47 3041.61 4627.29 2945.36 4665.37 4415.7 4200.8 2119.87 2759.72 3661.99 4482.6 3657.97 4246.2 3427.13 3207.37 3292.14 3665.54 3087.75 3692.75 2641.73 551.7 3649.23 2367.43 1574.04 1344.42 1324.92 1238.88 1285.04 1243.08 1511.79 1247.27 1287.18 1084.97 Trazodone hydrochloride 5212.6 4583.31 1488.05 2647.6 5427.24 4280.19 4601.16 4219.08 4472.42 5333.54 5273.76 1981.02 2926.73 3208.54 4308.44 3085.66 5693.57 3627.2 2646.81 4019.56 4855.93 5746.78 4155.31 3588.15 5065.55 1458.05 1015.15 4174.7 3039.07 6317.5 1584.95 2656.64 6469.89 3610.29 6056.26 4171.58 5923.66 5496.84 5333.14 5470.51 4102.81 2265.69 3080.39 2060.81 2265.69 2956.99 2969.82 3068.34 3343 1202.18 3602.85 4179.79 3406.75 1530.05 4935.84 2415.57 2546.01 4206.79 4592.75 4800.56 6188.01 4445.6 5111.7 3376.23 3699.11 871.68 1489.85 3681.82 1498.97 3767.62 4732.64 4652.76 4037.71 2118.69 4711.56 3262.87 2806.58 3348.22 3045.16 3287.02 3079.73 3007.27 2991.82 3090.21 Medicagenic acid 786.86 3060.69 2276.41 2052.63 1484.94 3386.7 11732.7 4364.49 4239.35 5950 10405.21 11032.81 1136.66 2298.84 2958.48 8667.84 2584.1 2244.29 9372.12 1078.74 886.97 2605.65 9439.81 3862.18 650.59 1414.75 4997.71 1461.84 2100.56 826.37 1204.21 8040.09 1224.21 4186.5 5656.83 5924.84 6103.19 6752.78 9773.23 11035.54 10187.51 4677.68 3110.79 7168.6 7432.35 9143.41 2025.59 4727.62 8862.41 11292.6 2232.31 382.6 5169.55 7349.72 1017.81 1048.67 3485.11 1029.53 3038.74 536.08 2762.19 4532 517.08 4439.2 3710.44 936.16 2852.25 6411.85 4969.7 1159.34 3259.17 8938.52 9104.88 8178.74 9799.33 6040.52 5946.28 5965.55 5610.31 6201.48 5780.35 5076.95 5635.28 5559.71 5-Hydroxy-4-methoxy-6-canthinone 3-N-oxide 7018.14 9188.39 7113.29 6015.36 5682.68 4734 4704.16 3858.13 3082.78 1965.95 2128.41 5474.43 4464.05 4613.53 4367.54 3646.87 3364.92 1244.7 4784.92 2622.57 2217.25 2306.76 2477 6629.74 3829.23 5477.78 3480.97 4582.29 4864.15 2272.6 4759.31 4599.88 2555.63 1851.55 5444.12 4767.88 4778.7 3006.12 794.66 3656.91 5687.32 4565.81 4140.85 3099.65 4052.56 1281.93 4325.79 4455.27 2770.95 3471.07 2929.27 5246.59 1880.58 4058.9 2976.09 4111.15 4547.56 2605.81 2988.56 2808.1 4222.17 2661.52 3106.19 4506.87 4570.41 4215.21 4011.96 2154.03 4146.25 4972.22 4660.41 2943.93 2973.61 1596.21 5004.63 4054.62 3741.41 3076.14 3510.54 3744.3 3604.81 3541.59 3456.99 3535.11 N,N-Dimethylhistamine 2161.75 2564.32 1489.74 2103.54 3399.73 3279.8 2985.69 3010.26 3255.28 2564.03 2454.6 2395.59 2873.4 3104.78 2749.22 3272.53 2068.92 2304.95 2951.8 2520.71 2034.32 1884.63 2226.91 1781.16 2127.7 2293.48 1788.3 2342.82 3252.49 1907.61 2326.41 4587.45 845.28 2522.04 3355.93 2877.71 2402.53 2165.38 1972.74 1649.89 2724.73 3786.68 2217.97 2117.32 3344.48 2736.58 2454.44 2121.55 2255.16 3714.14 2166.72 2617.34 2260.18 2813.32 1567.97 2415.84 1265.78 1130.26 2238.23 1065.4 857.85 1435.86 2357.93 1767.59 1311 3169.79 1280.45 1989.11 2236.24 2234.03 2512.13 2313.37 2376.42 2529.36 2780.94 2559.91 2609.24 2683.11 2322.78 2553.98 2552.77 2808.53 2552.35 2552.64 Fluphenazine enanthate 5270.63 3627.6 958.32 1234.4 332.31 350.97 570.05 2417.11 4263.9 1127.52 1261.02 432.73 1997.03 1194.03 1387.84 1894.42 1750.54 829.91 1058.85 1511.23 1642.17 5592.18 1514.74 2075.63 3457.62 3795.38 1639.87 1901.54 387.16 503.63 3296.04 1892.47 3211.34 4072.42 2050.01 5998.37 953.56 4500.18 3187.71 5265.02 3438.51 7560.64 3552.56 5703.8 5071.48 3822.02 13321.51 5517.21 2754.72 1482.58 2000.06 3382.09 4979.02 5149.7 2613.95 9809.68 4306.77 8001.69 6929.48 3852.99 7120.88 3791.95 6990.61 10492.4 8066.52 6738.65 8222.78 5243.16 4590.63 5952.28 4411.16 1112.07 6784.59 4596.57 7634.53 16968.47 16708.14 16945.14 14366.32 11888.61 14095.56 5844.55 14809.81 18007.37 3934.38 5666.15 15336.85 2966.26 9183.19 5810.69 27756.95 8868.8 5602.92 13275.51 3263.87 8546.11 13298.17 24234.98 3754.14 5832.9 6284.41 5931.15 5898.95 6292.88 5730.62 5982.91 6337 Tecloftalam 2366.88 2101.5 1818.79 942.4 11956.24 1057.23 2329.79 4474.6 3108.46 2123.84 1282.72 1386.37 726.22 882.02 2908.89 3524.21 2014.47 3647.32 3416 654.98 4610.88 1637.35 731.83 672.23 3824.53 3220.41 2298.43 1334.84 3792.18 2921.03 478.84 5786.66 2362.53 1089.56 1430.68 2037.25 2461.55 1221.63 1094.67 1685.33 1673.78 6479.61 615.82 934.55 5622.36 611.67 564.95 1404.93 4623.02 4859.42 2578.92 1604.19 1113.18 669.17 4929.4 1577.61 2022.16 1779.91 2219.74 1942.54 1377.51 981.3 1999.01 641.81 1185.56 4061.5 1725.01 1434.36 1509.79 2134.05 1737.06 2239.46 1548.31 993.74 1224.38 2109.99 1983.88 2098.98 1547.8 2048.42 1838.72 2050.11 1836.97 1918.12 4-Piperidinecarboxamide 2277.9 1886.46 652.07 731.93 2131.53 1640.02 1801.99 2379.9 1993.73 1370.25 588.95 1165.3 2243.11 746.62 3229.19 2382.69 695.59 791.76 1346.96 1542.39 2190.15 2472.69 1202.37 2227.19 2497.41 1123.4 2104.71 1690.6 3082.08 1515.35 1239.58 1635.25 649.6 870.2 2437.15 2040.02 2382.3 1685.66 938.35 709.39 1172.32 1763.83 2253.98 1898.12 1004.8 1363.14 1977.53 2324.17 994.41 2072.83 1751.11 2867.98 2412.12 1824.74 1298.11 963.38 1604.66 1525.88 1256.38 1038.52 1144.99 1005.6 1314.82 1922.54 2166.83 704.28 3257.88 1721.71 2179.84 1484.15 1816.36 1604.93 951.15 1301.28 1804.15 1653.24 1756.35 2017.91 1686.59 1772.86 1797.96 1622.16 1603.37 1766.14 2-(Pyridin-3-ylmethoxy)aniline 6076.94 6307.86 6142.13 5851.83 7348.28 5098.51 5551.74 5436.21 2083.34 6829.34 2519.91 4278.19 3646.61 5999.27 5641.39 4926.49 5480.48 4605.84 6094.5 4469.74 3601.34 4259.95 4258.53 6110.21 6430.5 6156.53 6455.14 7704.28 7534.44 5853.08 5529.91 6908.1 4224.85 4257.9 6254.56 6980.91 5697.75 4833.89 7003.55 3688.11 5932.53 5847.18 5828.06 6300.93 6249.58 4769.88 6448.77 7647.21 5369.82 5399.46 5682.74 5826.98 6583.81 5017.85 4391.76 3812.23 5673.29 5729.31 4321.68 5496.32 5872.76 6008.44 5283.67 5148.36 5743.34 4443.73 6556.73 6936.25 5452.21 6825.7 4174.73 6562.29 4941.78 5575.96 6475.98 5914.92 5892.79 5894.4 5746.56 5783.35 5891.23 5784.11 5891.53 5780.33 Phytolaccasaponin B 1812.54 2214.37 2761.97 1889.04 385.12 3280.96 3025.41 587.01 2971.32 2240.18 461.21 4279.66 5094.27 3095.99 1922.93 2993.43 773.63 2235.89 527.31 598.91 3656.7 2035.28 1892.46 10721.19 1073.49 2107.32 1988.29 10623.47 6897.02 4126.61 3629.58 2693.64 2382.78 2908.65 1780.4 6346.2 1488.61 3103.91 520.88 1202.12 5061.09 5041.15 1745.25 2977.57 4242.58 516.27 8777.33 3314.6 2957.94 6197.45 2323.19 3243.46 722.58 1575.94 954.24 4647.09 1260.5 1043.12 2975.87 1996.94 482.48 1892.52 2551.17 1498.2 2638.16 3877.47 4259.48 1971.05 1245.92 1357.48 2137.09 2231.26 2228.15 1387.12 2292.12 3185 3082.31 3111.1 3088.03 3190.63 2515.52 3184.99 3099.16 3085.52 Sulfobromophthalein 15412.66 816.97 12679.17 551.78 5583.66 680.85 24152.88 33568.89 35884.35 56884.2 18108.03 801.83 18322.89 547.39 19412.42 20743.74 19122 17449.81 15976.11 20789.9 2060 16163.89 10977.26 21267.31 19454.03 596.92 605.84 31345.84 18034.34 17745.52 950.99 20857.16 21573.12 33999.27 42829.51 36708.21 42875.69 42421.1 52700.46 48804.45 23115.19 21572.37 33764.21 40757.38 31154.2 32042.36 29879.9 33549.15 35524.04 20917.59 30066.83 35063.18 40873.85 29410.17 24497.72 30148.76 26124.9 43636.03 41237.18 64013.14 6785.82 53699.61 27071.86 43125.78 34929.37 30679.25 33634.8 47358.6 45020.84 38931.55 40583.76 46458.59 41546.14 28705.81 35309.38 31237.55 31205.4 31768.01 31895.98 31384.41 31838.51 31861.48 31954.83 29386.78 n-(3,4-Dimethylphenyl)hydrazinecarbothioamide 935.42 434.9 714.27 420.04 517.76 1464.34 560.19 454.61 1126.48 1046.2 1162.37 854.69 838.66 496.26 1088.83 979.37 891.89 1947.76 1112.14 15352.01 1015.44 1200.5 591.27 479.85 1038.85 394.66 432.25 395.9 1046.65 929.57 670.47 871.53 669.45 573.81 501.78 1119.99 2225.72 663.3 1141.63 1002.24 683.02 906.11 1203.31 1188.09 976.12 1214.38 959.35 1457.68 608.56 459.56 688.23 621.91 686.64 665.91 599.45 1168.16 1107.59 720.25 413.67 567.62 613.6 910.63 405 1082.99 969.96 736.49 2436.37 1274.84 1032.04 2005.11 1526.7 416.68 1050.6 454.66 2685.08 1237.85 1240.05 1268.52 1236.32 1305.42 1135.25 1237.22 1270.65 1235.92 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-, 1,1-dioxide 410.79 466.66 3125.15 3827.31 412.19 465.47 5405.73 486.5 679.71 789.76 374.04 430.18 4130.65 2373.19 475.31 680.6 1581.72 481.85 310.4 551.93 375.93 1860.51 2729.81 684.23 593.12 683.91 1506.85 789.02 1217.81 1772.06 381.57 5064.58 8201.96 3464.73 3326.17 639.4 491.88 616.11 2704.97 1794.23 1252.79 972.91 1604.8 3588.21 338.61 5089.82 796.51 702.91 711.02 309.82 349.15 442.59 2691.19 4819.24 1856.08 369.33 6111.43 4157.65 616.34 2760.48 1186.6 2439.09 306.38 3888.85 1230.62 331.32 372.75 759 1276.12 718.12 471.51 3224.7 3434.47 4000.43 4825.45 2027.92 2009.3 1953.68 1412.44 1944.74 1907.67 2085.74 1977.64 2028.31 Doxorubicinol 3719.57 1364.84 14233.1 16162.66 7550.81 656.85 4698.43 5854.43 6407.37 4398.61 11064.22 13418.98 7956.26 11409.89 767.97 11068.69 2452.66 2552.34 914.29 1014.35 13565.22 2894.76 7197.23 9593.34 4019.1 926.46 5514.86 12380.41 2533.74 1458.14 1437.82 805.75 1505.58 19393.77 11883.9 1877.84 8420.83 2562.43 12042.88 14895.86 4184.47 3450.35 12089.25 11439.69 7662.46 14905.49 11689.43 13786.04 5504.96 3141.04 14719.38 8883.94 15378.18 19005.32 11361.2 7655.68 13696.98 15158.65 2856.82 3828.28 8259.47 15963.96 13399.25 17279.97 6744.13 14566.44 19998.98 11240.33 14685.47 12047.12 8836.84 11547.93 11082.96 16088.94 19761.14 9528.92 10515.32 9917.2 11428.23 10393.7 10611.96 9651.16 10106.66 11207.33 Epimedin B 995.7 517.99 1632.6 1922.31 1317.04 707.5 1292 779.31 1728.45 1454.82 1767.82 418.99 1005.9 1609.29 1431.14 882.7 580.42 1172.73 496.32 2109.98 349.19 1354.82 1341.18 1858.91 332.3 378.13 1695.68 1803.47 412.05 450.47 1091.49 1151.69 1508.05 3701.61 3678.2 1794.66 3025.44 5982.19 2529.71 5514.42 6110.01 2671.1 3036.16 4311.11 307.51 1166.1 1308.27 1146.67 2177.12 3251.11 3040.98 7875.11 3984.19 4218.75 1823.35 3278.4 1572.72 1946.11 880.67 4019.25 3404.03 4704.78 4426.42 4628.33 2265.7 1475.5 2541.27 1027.58 1901.34 6490.93 4341.52 2690.16 3322.87 894.19 3628.16 3155.95 2959.79 3021.86 3164.93 2949.19 1887.16 3166.13 3150.41 3105.89 Isonicotinamidine 582.04 8223.73 7908.51 12561.33 2099.53 11137.87 2270.34 2186.62 10652.81 1912.67 6774.25 19656.08 23642.68 3885.8 2879.9 3571.99 1344.67 8641.38 51888.79 2309.13 6050.68 3396.97 638.75 2308.41 4368.07 5842 10981.18 2621.12 11099.13 6941.94 4303.43 4061.79 4284.89 5259.28 7273.11 11393.42 4649.3 14549.71 2752.23 4485.57 3973.46 3959.94 19153.92 10975.23 10487.09 1379.2 3392.6 8748.12 3044.53 8894.42 1575.76 12881.96 2896.67 6716.3 3104.78 13347.19 6916.45 1823.3 2509.84 2590.1 2829.55 2610.18 4269.67 2658.85 2860.12 6442.15 11171.03 2427.88 13921.25 5501.12 10124.56 12179.18 460.5 3850.7 3290.48 6154.11 5852.36 5868.77 6062.38 5755.66 5848.46 4391.38 6080.84 5849.93 2-[(4-Chlorophenyl)amino]naphthalene-1,4-dione 1100.53 570.89 3043.79 4693.44 1103.73 12183.25 982.75 542.32 904.48 607.35 345.76 289.51 225.25 322.1 223.03 440.79 1417.69 896.29 444.53 1108.05 523.52 7086.21 431.58 1371.87 392.51 1019.62 314.64 289.49 1521.56 248.68 1139.67 235.29 190.1 7419.68 1044.36 871.75 512.82 4352.46 888.26 692.68 1460.85 523.34 453.6 628.61 1442.11 394.12 1212.26 2229.39 612.96 472.3 235.79 1716.3 750.58 544.54 424.93 1472.87 2214.95 1866.79 439.34 5719.27 915.72 2151.02 782.08 924.86 697.18 445.4 750.84 812.17 432.42 434.63 811.38 1253.41 532.88 2055.77 418.35 2517.19 2487.61 2108.78 2452.96 2560.54 2654.42 2174.91 2324.87 2555.05 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine 1962.62 1112.06 3536.22 1893.55 702.42 2612.97 732.6 1876.6 850.79 4009 1731.03 871.8 1432.3 1410.78 1220.5 2111.03 865.74 2491.76 1674.36 870.14 2111.1 2319.47 2256.56 1603.59 1062.7 685.85 744.42 1580.98 1259.14 1493.82 926.65 932.43 1642.8 1580.3 551.03 1356.25 682.32 679.34 3341.44 1566.35 1165.85 1396.61 2430.05 663.81 3173.73 2295.58 1077.23 1933.87 1939.69 996.94 545.58 1937.64 1585.37 2040.4 1240.61 1536.38 1930.04 1087 1435.67 1310.3 2806.77 632.1 742.1 761.96 1527.39 1276.85 1029.79 661 698.36 1301.82 1836.52 1262.54 1573.82 882.75 4172.88 1278.02 1276.5 1175.29 1227.93 1258.8 1306.51 812.75 1211 1206.59 12-Hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione 4289.08 3890.44 341.14 1799.71 2420.53 568.69 2327.54 5733.19 4287.64 5086.29 1524.29 2851.96 293 3389.65 4365.14 3648.14 1488.12 992.42 15799.97 485.65 5159.77 4984.52 2103.4 2947.63 1977.25 334.82 365.46 371.31 505.73 2471.54 8087.98 24913.46 408.49 2302.24 649.92 9131.04 4942.38 3051.42 954.78 544.36 310.2 11681.16 7019.47 3018.91 9161.68 2560.19 6727.16 4311.09 8854.07 18271.63 5380.57 10967.04 2453.16 1945.26 2646.21 9485.47 1350.99 2658.49 5445.48 561.31 1514.04 2222.74 4091.9 4185.51 7271.24 2317.66 5802.4 569.94 582.06 7148.23 2125.56 3353.54 7145.12 1285.52 1213.1 6214.66 6369.31 6565.18 6445.11 6868.68 6359.27 6424.54 6455.92 6612.95 Cyperquat 7575.35 8295.3 10915.46 7983.06 11405.19 24031.87 11361.34 13485.49 12406.49 8098.82 8150.2 7736.95 7189.34 8102.37 10380 13887.07 12083.55 11440.08 10915.98 17515.24 11910.49 12543.69 6120.31 9025.94 7444.73 9267.88 7182.11 12892.91 15765.17 5895.28 12067.47 25689.1 12707.31 7295.27 10477.13 11219.91 9217.11 10644.86 8181.08 6377.56 15383.24 11178.77 8004.84 8310.92 11820.27 7252.89 15377.8 11468.85 9163.19 14139.7 7166.41 6668.38 6418.75 12780.89 6622.19 8689.11 5032.35 8377.29 7912.25 2795.77 5117.87 6425.12 6778.64 11598.58 10695.28 8546.6 9313.29 6924.51 8744.94 9617.84 10579.3 10103.96 9389.33 11501.08 8067.47 9830.87 9825.56 10116.65 9830.46 9949.65 9825.72 9851.82 9847.91 9888.8 3',4',6-TRIMETHOXYISOFLAVONE-7-O-beta-D-GLUCOPYRANOSIDE 3519.56 2315.49 2369.65 4312.97 4343.27 3297.81 995.92 2386.87 4805.5 1711.2 3242.75 1466.54 4654.87 3045.4 3320.96 3429.57 2352.51 4537.1 7138.68 3893.67 3448.83 2184.6 1923.07 3996.96 4402.69 4518.51 3368.85 2147.76 6591.13 4611.75 3015.9 4037.91 2239.72 1699.59 3788.44 1841.82 4265.34 662.69 3278.17 1975.1 6279.65 6834.59 3508.19 1330.66 6204.02 3622.17 2325.1 4560.84 845.7 2294.37 644.16 2305.11 1539.57 2304.26 4271.22 1934.31 1822.95 3120.15 471.07 1169.47 2988.07 2318.78 4578.94 1759.17 1055.57 4243.48 1954.43 786.13 4333.74 4086.31 1809.08 842.84 2656.17 3075.73 1694.15 2726.96 3728.29 3239.9 2795.31 2629.65 3129.82 3180.43 2686.01 4053.26 5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide 5626.04 4690.97 5792 7368.72 14267.68 7328.94 6671 4224.74 2436.35 7316.74 3294.62 1520.94 5592.74 5009.53 3582.72 6256.72 5594.8 5551.57 4783.02 5529.8 3815.22 5734.8 5943.88 4186.18 3643.5 6458.29 6045.36 5237.83 5326.36 7282.31 5619.92 11671.84 7447.34 5815.74 7510.07 4166.53 7256.42 6841.33 6117.85 5976.75 3859.84 3469.45 6011.76 6720.68 1544.4 5126.53 3789.1 3808.6 5040.38 2115.06 5100.15 6129.29 6544.39 6565.31 7317.54 5784 7746.14 6188.75 8844.95 6769.54 7597.22 5944.94 5626.05 7025.83 5269.34 5278.79 3744.75 4329.07 5085.43 6276.02 4345.25 6613.07 4781.52 4717.94 6885.26 5840.67 5833.58 5777.95 5840.14 5412.83 5849.38 5722.35 5700.66 5712.58 Octaethylporphyrin 4707.52 9651.7 448.02 1705.9 20193.52 23003.72 13740.94 28285.28 21761.17 11262.12 10133.08 15742.78 30976.04 3770.35 19386.35 23949.15 11243.75 1136.58 31688.69 28243.84 28634.14 13720.58 24937.47 19509.12 20211.22 17261.07 3236.18 12701.45 37875.46 4945.28 5835.72 4122.4 17674.58 17067.81 13689.04 10681.83 17045.45 19455.02 18726.93 15659.17 15351.02 98418.99 22522.77 5735.74 3227.54 22105.28 10937.48 23428.37 19862.46 19127.44 5167.91 17883.44 18230.83 17152.61 6445.57 8903.5 1959.92 4259.95 12069.26 8414.81 22555.1 10885.55 18602.36 37740.39 13552.54 18380.72 6300.71 16626.09 5139.72 23201.75 16425.06 22512.07 18932.32 5578.05 23348.15 20250.2 19526.34 22851.03 19912.99 19280.46 19719.11 14002.05 19991.18 19669.08 6-fluoro-3-(piperidin-4-yl)-1H-indole 7427.83 10385.96 5142.51 3539.65 11035.21 3960.46 2503.56 10259.77 16648.38 3060.23 2676.47 4290.42 2131.84 3141.15 11236.34 5921.84 5488.29 9842.24 4261.08 22895.23 9601.79 3701.08 2817.14 3083.83 8345.15 8683.75 4706.96 3445.7 12621.51 3721.55 9445.5 1675.83 9305.81 5684.31 3596.03 15063.61 4607.97 6433.49 2593.38 2126.17 14382.15 7773.31 6172.62 3542.18 5985.84 3471.69 14074.9 7800.12 5531.65 5317.13 6504 6512.82 5263.62 2755.48 4356.61 11161.41 3785.78 3356.57 5644.67 3323.79 2883.2 3381.74 9929.19 6896.29 6932.63 5676.92 11224.65 3986.42 8263.56 6572.97 9102.58 4403.32 3833.76 7145.82 4162.08 7443.7 7184.86 6998.99 7422.58 7207.09 7206.09 7409.05 7483.26 7186.56 Hellicoside 57074.73 40447.96 7933 12169.17 43683.44 35126.31 21299.48 67664.31 76641.73 29956.38 23842.22 23191.41 13118.73 17692.97 60554.64 38949.23 21468.36 54779.07 30164.03 92364.89 60243.4 13522.7 9138.52 15244.72 52390.55 47585.61 26067.58 38362.12 75282.34 10587.55 66883.96 27531.17 40845.25 9821.93 18562.44 43994.19 65972.89 33069.97 20871.26 29687.61 47484.8 51704.27 17705.07 16721.97 55670.39 12755.21 81976.51 37472.69 19772.67 54471.39 26651.77 28188.97 15200.13 17614.95 42232.82 30961.73 10225.9 8595.8 53336.33 4341.04 14154.7 3218.17 33042.93 22234.95 34440.62 38983.31 53822.98 22034.34 38055.45 63480.86 71129.92 29180.92 45618.81 20852.44 26105.19 40253.57 40017.29 40157.23 40702.75 40285.01 40341.02 40205.03 40339.52 39898.25 3-Hydroxy-L-valine 619.66 770.34 1155.89 993.2 1074.44 936.35 677.9 634.43 520.19 910.65 622.15 865.96 618.7 711.51 707.59 546.16 802.68 785.92 682.02 1688.54 786.22 558.14 837.98 551.51 747.45 1117.32 807.81 746.78 651.77 610.42 760.84 664.55 544.38 589.96 783.3 1226.02 958.93 895.18 537.27 1161.85 689.52 640.58 786.49 796.98 1060.71 662.31 986.66 1067.77 905.72 616.79 971.7 514.16 778 650.5 877.12 839.74 728.17 575.2 421.62 797.08 541.65 917.17 1063.67 599.01 806.17 549.24 649.74 776.17 750.08 843.9 625.45 648.15 712.91 685.5 803.92 821.35 784.24 810.85 812.39 810.78 766.99 776.87 778.58 783.81 1,2,2'-Trisinapoylgentiobioside 857.55 3733.6 505.65 725.4 829.41 4860.83 791.91 756.73 1192.78 1137.45 1242.69 906.49 944.02 401.8 1959.8 1890.22 1581.59 1054.32 1091.21 1177.02 865.1 640 969.07 1387.1 425.19 627.16 418.18 459.55 1038.53 413.85 1126.21 1020.78 823.29 418.53 1084.1 1299.83 1082.42 1926.37 984.45 2235.96 517.22 994.93 1040.04 1432.14 1381.08 797.79 3296.44 1198.71 819.69 819.65 3452.17 1479.75 1249.36 1261.38 894.9 2714.24 727.03 1771.96 594.93 2385.06 2041 1035.8 1148.89 810.02 1706.74 463.12 1029.11 765.14 614.54 1120.56 1601.58 1217.15 815.93 689.44 761.64 1066.04 1312.52 1306.85 1215.46 1296.3 1297.93 1208.46 1337.28 1318.24 Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one 2155.29 2663.23 2601.85 944.57 2406.64 3083.75 2572.73 4229.74 2882.27 4060.23 2045.29 2404.28 1746.03 3641.97 1324.07 1797.96 1222.83 2404.99 1783.99 4100.88 3095.53 1865.12 2562.68 1275.02 1465.87 2954.78 2328.75 1837.4 2444.06 2937.8 4432.49 3590.29 1817.57 3390.85 1539.91 5103.66 3895.21 3408.07 2808.46 2547.46 4947.84 4729.95 2134.61 2065.97 5143.04 3132.64 5647.61 3270.12 2731.19 3422.5 3525 3679.38 2488.94 2760 3812.31 3219.07 2148.42 1709.65 2863.8 1884.88 2200.47 2267.81 2602.53 2582.87 1544.39 3882.9 3541.6 2959.91 2163.36 3427.74 3592.82 3354.17 2757.25 2961.18 3842.74 3650.2 3715.81 3571.41 3714.32 3666.04 3717.15 3635.31 3718.25 3242.68 N-tetracosanoylphytosphingosine 1144.63 672.14 16386.54 2970.69 546.98 1165.42 3705.74 6250.28 4897.29 3632.34 8317.75 866.62 4697.16 995.27 627.75 1324.7 567.41 833.55 704.65 616.16 1660.04 1315.53 890.07 2197.71 1434.69 1133.95 8788.99 389.55 6634.27 4774.97 878.52 4213.21 431.66 11065.35 10398.13 3901.41 4236.1 1292.07 1821.03 5560.58 1293.72 4973.61 6874.78 2049.32 2542.93 1965.53 6154.15 25111.92 2670.4 3600.57 1220.79 2917.48 3980.74 5349.24 5674.4 8981.07 7329.04 7499.96 4612.51 4997.13 5807.93 6186.08 3838.43 9861.91 9555.76 3648.33 5694.6 5376.54 4267.38 7917.37 12678.21 5116.08 482.12 12158.31 9333.67 6003.99 6363.73 6105.5 6004.24 6112.85 6109.77 6109.95 5993.29 5994.22 5-Chloro-2-(piperidin-1-yl)pyrimidine-4-carboxylic acid 4686.69 3560.32 5254.36 5775.69 5272.69 2504.68 5243.88 3413.26 3734.42 3093.15 2686.38 3468.96 3814.31 3904.1 3097.14 3799.63 3068.69 2760.06 3553.4 2739.88 3106.56 2499.7 2771.62 4699.06 5181.06 3386.74 3974.49 5077.15 3408.92 2858.61 2925.19 4143.04 1566.5 5026.62 5039.95 4455.39 4436.86 3265.62 4202.96 5587.58 2889.49 3018.93 4580.58 3037.65 2778.12 5529.07 3497.22 3096.74 3632.61 3128.42 4056.9 3816.31 4335.23 5829.13 3934.01 2993.83 4163.4 3593.85 3079.55 3451.81 3655.71 2678.37 4553.97 5969.03 3087.72 3945.66 1986.18 3406.54 2876.77 4164.85 3292.72 1267.03 4407.37 4642.79 4364.86 3140.91 3494.76 3436.22 3353.14 3410.62 3382.09 3357.53 3380.68 3367.73 3,3-Bis(4-(dimethylamino)phenyl)phthalide 1176.36 711.4 719.02 895.9 2877.18 1402.8 1068.31 793.74 2762.44 488.5 946.63 583.36 1342.69 882.49 778.71 799.64 429.83 990.72 1041.5 1344.88 1343.89 946.35 748.19 956.12 1803.68 745.96 698.13 822.78 1593.41 1179.35 1043.34 979.55 1105.23 1093.86 1122.47 2634.23 1864.09 1061.47 920.28 444.03 3040.02 2567.14 922.16 642.97 2598.79 2457.73 3427.3 2045.53 434.81 523.02 3217.77 1136.61 817.55 1015.45 588.44 875.27 491.42 856.4 525.38 910.67 872.47 721.97 559.7 992.07 547.78 3004.91 493.97 2105.79 1099.51 593.79 988.67 1084.3 524.19 1004.24 1583.07 1220.21 1356.41 1265.08 1346.54 1143.77 1313.15 1310.25 1138.45 1467.97 2,2,6,6-Tetramethyl-1,3-dithiane-4-thione 4057.86 2063.12 5657.77 8452.38 10835.24 4797.83 3848.55 1020.34 2110.79 7321.38 1080.47 10610.75 990.29 2569.49 5633.98 2615.91 8160.58 6829.14 8089.21 3545.91 5070.81 7350.52 5643.97 2793.96 5736.78 4640.45 8147.92 18566.21 1912.3 6951.71 4544.01 1880.33 7307.32 2254.81 1608.57 7171.42 1682.16 3325.5 3783.94 6242.69 5387.23 3069.27 8180.16 7594.16 1758.19 3614.29 2526.29 6320.87 2947.14 5948.21 3226.59 2254.15 9286.55 1689.78 2247.08 2835.64 1621.09 1575.1 4466.26 2805.61 7103.79 11231.49 2866.17 1348.96 10504.4 2198.04 1803.34 3010.21 10560.88 2898.2 15830.07 6134.13 6340.37 20896.08 4742.39 7198.19 14894.75 6683.96 7244.39 6801.57 6935.72 6652.32 6453.66 6065.84 7823.62 7226.52 8008.29 6642.53 6474.39 6561.31 6232.58 6478.7 6568.5 10825.58 6858.77 7148.16 6782.92 6822.0 7103.48 6892.68 5344.11 5363.55 6060.05 5622.14 6475.42 6212.31 5118.92 5282.06 6077.2 N-benzyl-4-cyclopentylpiperazine-1-carboxamide 976.33 2363.47 2770.88 9269.21 5388.17 4243.94 19507.74 637.05 3553.76 2610.14 2943.58 1779.76 4081.98 2993.77 3277.93 13888.04 3927.07 3145.66 7813.63 7397.8 866.22 1015.83 4576.02 9364.3 881.88 3807.83 2466.39 6353.69 5783.94 5801.32 1726.01 15567.77 1532.64 13449.62 7510.42 2792.02 806.47 2686.91 3162.75 4196.01 2626.94 2337.6 9449.68 730.46 12551.76 10286.58 1744.92 1310.15 5045.79 6008.59 1660.48 3360.06 5875.94 5507.88 2025.28 1110.76 7036.63 3049.42 3228.09 4881.32 1768.75 7313.48 2127.95 11083.99 2713.17 1694.12 673.59 9396.52 4117.56 610.48 5712.82 705.64 5546.18 5351.69 8991.87 2755.5 3180.28 3385.42 3272.62 3357.03 3796.57 2647.41 4227.66 3552.79 N-dodecanoyl-L-Homoserine lactone 3135.62 4205.12 2056.15 1999.04 3286.84 2181.21 2504.01 11007.32 8481.65 831 519.93 12506.13 575.88 606.09 14044.78 1171.88 689.09 6947.92 569.99 9512.99 13975.26 3418.95 533.79 2486.56 1646.6 9579.18 2261.58 592.08 16388.73 13631.15 2948.66 1783.33 2123.77 367.48 489.53 23737.59 7642 11073.52 2890.77 991.72 3858.03 6818.09 408.88 1109.51 14593.66 1393.25 17865.32 20239.97 3054.39 6764.1 4320.2 4221 2163.67 698.05 6176.51 10790.77 794.28 759.44 20614.13 8595.63 2350.16 434.39 9783.08 3511.77 2450.09 11945.8 18637.23 874.96 875.13 9588.25 10611.43 2953.7 510.97 475.52 2741.65 4103.01 4747.8 4549.55 4605.88 4678.97 4746.91 4772.48 4585.53 4617.35 Halometasone 1619.42 4050.03 1064.67 1573.14 2145.35 3748.01 1533.97 4468.61 2774.29 2118.27 4477.43 1054.42 3056.44 2075.31 2959.94 1318.17 867.26 1426.35 3244.93 1734.1 2140.94 601.63 1362.68 1701.36 3662.56 1370.02 1800.53 409.33 2912.84 1882.03 2165.72 1125.75 2757.02 1099.81 1247.98 3855.51 1540.68 738.43 3946.19 4772.24 1710.19 3009.06 1084.53 3489.49 5625.18 1172.58 2151.39 1987.71 814.42 483.81 2150.07 3031.18 1810.24 1369.37 1795.38 4003.19 2868.64 1246.88 2536.61 2870.47 451.12 1406.81 1767.29 2062.52 3443 7061.08 7101.95 607.39 1073.71 2977.97 3356.56 698.58 2079.7 3133.62 2162.54 2519.67 2339.21 2697.94 2517.3 2331.61 2496.86 1691.43 2306.78 3026.9 tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate 966.57 2086.62 1392.89 1483.33 2053.95 512.86 564.78 1488.03 4378.91 2105.52 1314.25 5268.33 2561.13 2760.46 2330.25 1487.72 1398.19 3981.92 2337.39 3249.56 2110.16 1546.65 1818.72 1581.98 2076.17 3539.2 707.18 765.01 3883.04 1591.06 5119 4352.58 2441.45 918 1244.99 3483.02 1460.42 1392.97 1308.54 1066.35 3217.7 2526.49 1871.55 1972.98 5266.43 437 4722.32 4760.28 1672.32 1571.7 558.31 2350.54 1512.33 1481.5 1015.5 1142.36 2247.86 1694.93 1638.9 1287.75 1327.68 769.05 1260.79 1767.65 1171.91 1910.5 3292.14 1944.06 2939.3 896.01 1605.18 1257.65 884.93 1734.16 915.01 1380.13 2226.25 2385.26 2545.11 2251 2367.19 2140.89 2260.63 2396.71 Beta-Cortol 1163.55 2568.02 1577.43 376.85 4247.9 8129.93 1112.01 6313.11 7289.89 4371.69 2612.41 1445.19 945.68 1161.49 5860.36 1460.85 2514.1 861.31 2841.77 799.58 2199.26 1174.33 754.24 452.92 2192.43 2234.54 2265.19 1966.13 3090.46 1575.2 7780.38 3394.6 1293.11 804.46 861.5 4817.33 795.39 786.71 1207.55 638.17 2598.19 860.37 1463.44 798.02 1473.41 1372.94 1472.89 684.17 1127.27 1156.06 1001.62 2788.76 1620.13 573.99 5229.69 3648.89 975.97 385.11 1763.36 2821.09 912.8 2041.1 4376.32 1306.61 1419.75 2562.61 5593.42 1299.75 1010.72 1521.23 1190.86 1548.08 703.57 997.02 1392.28 2232.43 2919.86 1322.59 1899.68 2155.26 2091.09 2082.78 2554.79 2315.72 2634.17 1198.44 1528.93 1386.48 2527.05 2301.9 2190.92 2417.14 1921.68 2265.15 2158.95 2258.74 2307.6 2388.19 2212.1 2-(2,4-Dichlorophenyl)-1,3-thiazolidine 8994.45 9093.15 7476.25 8326.32 9299.72 7534.76 11587.75 10725.76 9633.16 8595.23 9472.59 9423.27 7322.17 7716.42 9452.3 8033.15 9090.92 7662.44 10095.37 8801.06 7694.65 9520.37 8977.36 8731.93 8477.31 9020.74 7728.44 9206.62 7518.63 8623.28 7766.81 6356.08 7682 6907.85 8622.63 8030.42 9682.7 8974.37 9339.03 10531.65 9667.79 10615.51 9935.31 10138.58 8933.42 10129.51 8056.26 9565.79 11054.67 8399.51 9098.89 9922.87 10134.33 10571.28 8240.56 9715.87 9043.5 8124.19 8024.35 9491.03 8837.75 8778.9 8546.3 8846.3 10891.51 7248.21 8460.58 10132.73 9097.16 9304.1 11266.1 8599.22 10299.18 9739.68 8284.96 3105.72 3063.2 2712.88 1754.08 2914.72 2104.41 3394.75 2381.15 3482.99 2955.14 2842.45 2349.19 2929.12 3182.09 2890.33 3542.23 1782.71 3002.28 2702.76 2410.13 1481.46 2147.16 2703.08 2590.0 2982.0 9247.97 9070.75 8756.95 9303.71 9018.1 9035.55 9252.57 9179.41 9176.82 Azilsartan 4023.08 3456.75 984.76 4134.8 1714.79 2526.68 5683.08 5614.25 4123.06 5260.14 4242.34 4534.19 9993.68 3653.26 4922.94 6055.5 1011.35 564.22 4141.88 793.43 3860.3 3568.79 5359.58 4098.55 4427.42 4712.61 4544.39 4114.26 3841.5 3446.54 4650.62 3794.16 1215.85 4934.57 4064.58 3739.87 4937.73 2376.87 4602.24 3346.46 5329.03 6709.49 4976.86 5835.2 7466.96 9427.41 5011.74 5860.11 5974.15 10216.9 5342.18 6077.09 5376.27 5619.27 3251.94 3665.6 5946.29 3343.2 4696.29 4875.72 4007.02 3738.6 4475.83 4883.12 1342.14 5379.56 4402.16 2196.25 4350.56 3560.88 2483.27 4489.49 4567.4 3656.39 4561.45 4963.1 4948.08 4944.14 5141.59 4887.44 5113.79 5134.44 5206.93 5117.63 Paraherquamide E 6381.84 7540.55 6639.08 5515.02 5710.47 6798.18 4574.28 6025.24 702.71 5098.19 5172.15 3012.2 3532.08 7966.34 6907.89 7131.13 4572.14 4712.46 3821.35 2453.24 4913.3 6429.37 4047.01 3509.39 5252.29 4741.44 4714.24 4898.46 3117.13 3693.1 726.91 4080.01 4281.27 4137.09 7259.88 5369.67 1843.33 8599.76 7045.74 6380.29 1367.14 1561.34 4755.03 5611.62 3563.39 4213.18 4358.45 3107.32 658.41 695.38 6025.4 6141.26 5607.31 3622.02 6053.42 5170.9 4782.98 6140.45 5734.69 4020.39 2003.29 4825.08 3723.2 6931.9 7217.93 4004.9 5521.2 6031.37 4709 5118.47 4623.19 3703.28 3341.54 3248.94 4872.09 4256.6 4456.83 4162.73 4284.18 4463.51 4292.61 4455.54 4438.35 4433.36 5-Amino-2-fluorobenzonitrile 5472.03 4983.96 6135.47 3539.46 5931.73 2082.4 5321.29 1100.19 6244.32 4547.56 922.5 2186.78 4616.01 1595.94 3867.17 3636.52 3840.08 4477.42 948 3188.41 5091.81 2471.17 2019.57 4441.49 5742.94 5570.74 5776.68 4025.27 5664.63 3226.65 3387.22 6044.34 3040.48 5615.33 4434.03 6140.4 4569.18 651.83 4771.08 4352.24 3632.91 3990.09 5117.57 3701.1 3710.15 3997.33 4812.98 4855.17 2040.82 2220.52 925.77 3554.3 4546.93 3413.61 4754.66 3731.84 4212.8 3769.45 3735.56 2000.93 3065.98 3858.13 3836.04 4198.48 4894.35 4379.81 3113.24 6806.69 5327.85 5528.14 4160.58 3827.56 1336.79 3616.13 3663.05 3984.93 3984.31 3798.92 3992.58 3827.96 4193.95 3836.7 3917.82 3427.38 2-Amino-5-fluoro-3-iodopyridine 2794.41 2784.26 2653.11 11072.61 517.32 3214.83 6058.72 2809.32 3130.3 2229.18 521.26 3112.29 9356.53 2589.55 2551.03 552.57 2421.76 2693.3 2249.56 2168.28 1998.02 5453.03 3918.29 2145.33 2432.42 1676.54 1681.72 549.17 538.35 16264.7 3141.98 16883.96 2605.51 5480.02 5154.34 1651.45 2125.73 688.94 3307.52 841.93 14959.05 722.58 3062.64 4964.52 2171.03 9926.6 1611.32 2524.35 2150.93 782.69 3466.14 3189.74 4289.77 9428.75 12659.1 2481.58 9642.3 10631.81 2546.05 3241.82 1517.72 2679.74 3226.88 7727.9 2222.29 2987.42 2097.08 962.13 2764.31 2919.4 2426.13 4283.25 3216.99 5740.18 7385.91 2830.8 2847.19 2884.14 2868.82 2865.06 2827.46 2821.32 2815.1 2867.25 3-[(1r,2r,3r,5s)-3,5-Dihydroxy-2-(3-oxooctyl)cyclopentyl]propanoic acid 4701.96 8001.34 3445.17 7056.42 6132.84 6563.59 15301.49 9320.51 5151.09 3640.22 3415.08 5767.67 5390.11 755.87 7722.58 2684.48 3748.66 6126.54 5060.88 4726.06 8063.26 5817.96 1459.56 5748.09 6819.37 3988.09 1391.84 2192.91 8136.25 795.77 7728.32 4997.73 1966.44 1989.73 3945.16 1098.03 6787.61 2428.99 1739.38 4789.37 1592.34 15014.38 4591.45 725.65 5271.03 2334.28 960.6 3914.62 2249.86 1140.56 1060.8 5653.61 3848.14 2901.47 10287.87 4847.11 4450.74 4093.17 712.94 2468.53 4332.31 3264.27 1920.04 4243.01 511 9291.67 4495.59 654.53 2099.55 5499.72 3055.13 3837.73 1128.26 2682.39 991.11 5166.99 3478.81 3164.47 3519.15 2901.88 1432 3759.27 4597.48 3563.1 Venturicidin A 442.64 718.52 557.54 1271.03 2508.4 11117.52 14754.79 15101.05 5736.02 13699.39 511.92 2615.38 701.13 1776.1 1524.18 523.76 10752.66 693.86 3138.88 882.08 5695.25 679.11 1559.54 10927.29 1155.55 1475.2 9046 1129.63 2255.56 485.67 5641.84 425.53 497.81 11732.85 10616.56 5275.44 14279.03 14912.36 13880.59 9507.26 17278.48 3417.25 9964.93 8728.3 8198.9 11792.11 8679.93 5193.82 3631.33 2795.26 4351.09 9559.65 7513.14 11489.9 10113.73 15269.44 8024.57 6359.42 9093.7 15667.83 10738.48 7843.28 8175.95 10776.73 7074.14 8695.14 13434.63 6774.01 8563.18 14947.17 12704.3 12747.55 12692.26 9336.59 11928.92 11306.18 10773.94 8196.43 11450.73 10589.28 11239.62 11101.01 11473.45 10746.87 5alpha-Campestane 5366.04 5755.85 6494.97 13850.84 7821.16 10269.68 788.93 2262.09 5681.86 4947.22 5952.18 3206.1 1397.22 8771.45 5805.01 2812.8 8718.79 9141.46 1247.44 3963.91 6938.74 7186.55 5550.07 4734.38 4804.4 11403.4 2332.9 6646.66 4893.77 8549.54 14963.41 4133.67 7102.83 10302.39 5370.15 6786.27 5559.56 11940.69 12395.16 10380.32 4464.83 1473.11 9069.2 7171.27 15208.94 8070.54 5370.43 4546.41 12340.53 8029.59 1700.84 9186.64 6533.7 13014.61 7797.75 8299.31 5337 6140.59 5139.89 3973.53 3751.98 8360.62 6822.9 4480.44 5817.65 2082.13 3038.11 6120.16 8116.08 2281.46 4772.8 6907.45 5387.07 9256.17 5509.54 4395.99 4221.14 4083.7 4201.01 5060.53 4478.33 4515.62 4518.78 3635.24 Chlortetracycline hydrochloride 641.03 1593.48 2271.16 2778.6 1428.02 958.79 1662.8 3441.62 1303.34 3150.21 5226.55 3039.84 2569.95 4427.54 813.56 625.7 2217.71 1285.07 2847.5 1827.14 2218.82 1632.83 3090.56 3091.26 1760.04 2190.97 2654.85 3212.75 838.32 520.77 1717.71 2530 878.64 2839.91 2556.87 1492.77 656.17 999.95 3357.72 3041.93 1863.9 2589.8 2336.83 2339.58 1384 2307.98 1437.36 2786.25 1166.75 2309.15 2069.48 1285.28 2946.73 1107.13 2085.96 1547.49 2830.67 3030 1203.84 1009.37 2760.93 2493.73 2092.66 2864.73 2280.99 1988.53 706.93 3481.56 3289.22 1502.6 1617.14 2845.21 2715.51 1868.82 3043.36 2194.21 2139.63 2163.17 1955.05 2194.74 2193.78 2165.71 2142.98 2196.16 2-[[(2E,4E,6E,11R)-12-[(4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-11-hydroxydodeca-2,4,6-trienoyl]amino]-5-(diaminomethylideneamino)pentanoic acid 2344.45 382.49 3256.28 3856.08 4515.35 692.82 894.98 565.54 1179.84 2056.45 2805.53 1939.77 4384.59 6045.76 443.95 3764.64 1085.38 849.61 400.64 573.82 1050.09 1271.75 4033.49 1903.4 2704.08 1947.81 2762.23 2848.42 2250.72 620.52 807.15 1733.51 605.94 10526.4 3201.22 3163.9 2770.65 4925.16 3706.93 3099.8 664.74 2634.57 4253.67 1873.4 1526.92 8440.31 2824.85 3019.06 3333.35 5082.75 2852.52 1166.8 4969.5 10479.17 4701.34 2335.75 1515.33 1339.59 2129.73 361.97 2917.94 5225.56 2570.23 4191.59 1730.94 2298.62 2413.41 1687.19 2116.67 1590.29 1216.24 3991.05 3612.78 4371.45 8214.09 3841.22 3382.97 4098.05 3793.55 3638.4 3920.44 3646 3239.98 3775.82 (R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide 2813.49 2770.75 2329.68 1936.7 1547.37 1832.82 3515.04 1839.07 2463.26 2104.66 2361.65 2235.7 1534.21 3596.43 979.7 2726.73 2683.59 2898.96 3711.9 682.73 1867.9 626.29 1737.45 2230.57 2475.47 2280.97 2474.02 1480.83 3490.76 1500.93 1978.98 5146.99 1191.37 2759.89 2510.7 3369.62 1678.72 2067.02 2326.89 1967.38 576.9 3563.82 2552.61 1813.94 2604.03 5301.58 2729.05 2265.87 3697.26 3700.05 4313.34 3491.61 3173.45 4944.9 2138.8 3289.41 991.22 645.12 1108.59 1113.58 2343.57 2159.08 3073.19 2434.77 1756.31 3045.72 1991.54 2805.28 2813.03 2606.66 2014.4 2345.97 738.63 3118.58 2980.81 2771.4 2823.16 2599.75 2763.37 2735.81 2839.95 2812.67 2764.59 2856.59 N-cyclohexylthiomorpholine-4-carboxamide 1862.9 2208.29 6200.7 7156.42 3676.02 4473.19 7846.06 915.82 1440.28 3504.12 2883.75 1264.11 3794.11 2714.48 1213.51 1844.56 2257.62 1973.73 2235.42 474.08 1901.01 2551.34 1285.42 3104.8 1603.27 2907.61 1329.33 2177.33 3194.4 688.96 1426.91 3328.48 1062.04 2116.46 6016.16 1610.54 4468.93 4460.48 4304.47 4155.04 2945.66 7956.25 5500.43 3453.12 3389.9 7208.37 2698.96 2392.3 3498.36 2941.49 2395.9 2899.93 3674.24 4940.62 2379.4 3995.74 4997.04 4337.31 2125.88 3034.48 2572.32 2664.5 2634.68 3563.95 2502.69 2883.75 2911.58 2953.2 1753.52 3350.14 2839.17 3402.99 2710.7 3613.04 3846.19 3720.11 3314.74 3837 4454.74 3004.56 3811.07 3552.9 3803.59 3986.19 Bupropion hydrochloride 3347.73 2913.88 2329.81 2405.94 3552.75 976.37 4608.42 7367.18 3728.99 2511.72 2761.31 1554.65 2742.49 3510.19 3370.38 3567.45 2795.78 2281.62 3885.46 2922.64 6224.68 849.31 2687.6 3787.61 4990.01 3531.74 2392.89 2579.5 4835.15 1222.76 2107.68 3236.24 2213.14 4006.45 1876.86 4018.39 5595.76 6294.85 1535.08 2784.62 1736.39 2826.6 4867.06 2132.24 3009.91 519.62 2674.18 2307.96 1824.13 1967.73 2800.13 2852.38 4336.51 2232.45 4267.06 1410.46 2017.1 1164.87 2159.3 2461 2076.15 2061.29 4161.53 2945.46 688.52 3162.04 2172.06 3211.48 2505.97 4226.43 2237.88 3497.99 2084.17 3611.29 2112.83 2882.06 2529.65 2617.19 2819.56 1928.68 2880.13 2941.14 2570.04 2807.88 Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 14451.4 26207.18 1235.56 12058.91 20095.29 33305.9 5451.87 12265.1 16720.61 12593.2 5220.98 9577.01 7743.84 9525.77 10444.94 6985 7665.99 15487.35 19724.1 29017.41 12727.2 16151.09 10940.52 10775.31 1243.23 17716.52 9679.8 11860.61 23809.25 4087.76 20534.52 25330.07 16455.1 3937.36 9801.48 14886.85 21462.86 18338.48 6926.02 11974.68 12598.63 25480.34 870.73 8917.49 16309.02 5265.9 23499.58 10425.98 12618.4 5592.64 16461.9 16880.31 9548.73 13346.64 11186.95 5619.21 8405.3 4122.42 17132.42 22240.43 3442.04 9884.81 17092.45 5935.95 16494.17 18611.04 24725.42 3901.1 7071.18 15612.11 18178.26 16522.49 9087.29 8112.14 10210.2 12497.71 13529.26 12681.52 7706.59 12490.87 13326.51 12747.6 13096.75 12481.63 Mitomycin A 10177.38 953.72 1269.22 1546.7 1873.11 2664.72 2774.85 4468.17 9430.71 5850.3 5195.42 658.27 6016.5 3968.52 1161.26 3155.75 1127.47 3323.04 6738.09 2985.29 3682.41 2651.26 3056.63 5815.02 4956.46 2662.35 10533.21 2143.52 766.86 3847.32 3862.38 3919.08 3427.71 7515.34 2961.08 1694.08 3762.15 834.48 6992.89 1615.63 3185.14 6459.15 2957.82 3871.94 6174.86 3285.75 4101.77 1748.29 10829.73 5004.51 8891.61 1651.21 1210.45 2228.37 3610.23 3107.56 681.16 1644.03 581.05 1981.98 3893.58 3508.96 4495.1 2493.62 2814.62 3514.94 2560.26 7618.71 1925.98 3605.86 6691.42 4451.13 1094.75 618.81 6259.48 3937.57 4023.43 3687.3 2982.33 3725.54 3688.74 3740.93 3680.66 3804.7 MAFP cpd 2131.7 4121.08 351.06 1411 3525.86 2310.78 1641.4 1121.22 1328.91 738.65 1098.75 1541.72 1838.97 3389.44 4011.76 1660.65 2440.77 10741.95 1572.71 6546.4 1642.14 332.63 1345.95 603.57 966.07 342.83 302.32 856.51 5084.75 1392.23 7718.58 3511.48 1804.39 290.48 425.87 4545.46 933.38 1857.35 1515.49 538.6 13915.46 8880.14 794.24 580.4 8685.24 1020.75 5275.2 1033.6 1540.79 6548.58 2610.36 4562.41 693.12 2641.34 3891.08 6492.75 445.38 539.21 349.79 863.38 520.26 1221.42 2741.37 1664.38 681.61 6848.75 1552.87 1143.88 2312.29 764.58 700.59 682.8 2134.1 1381.02 696.86 2984.28 3151.7 3307.35 3247.08 3155.92 3160.85 3281.26 3297.1 3300 Rucaparib 1096.98 1244.41 555.73 1352 1878.99 826.34 798.31 618.82 1535.75 966.21 1063.2 1158.91 749.96 1330.44 1160.53 1058.39 888.96 880.87 965.71 950.86 998.21 1014.88 767.11 771.97 639.81 1938.35 1331.96 1352.26 1338.28 698.94 957.98 732.39 931.43 983.84 953.45 1429.38 629.63 554.99 1169.75 592.01 531.55 753.45 623.74 819.92 721.17 567.07 1527.48 823.39 1009.19 806.95 437.12 646.06 1205.86 1043.97 705.67 857.53 683.99 1218.85 775.2 877.93 496.09 603.64 1309.7 615.2 1197.1 654.07 771.08 1256.9 811.7 1228.93 673.28 1485.69 726.47 968.93 616.42 1178.77 1161.14 1067.43 1081.31 1068.16 1162.06 560.52 1211.71 1152.77 Metronidazole 3491.82 2396.92 1894.77 2318.55 3279.24 6682.07 614.53 7487.31 3364.9 4814.78 2364.03 3921.44 1219.51 4891.95 5847.34 1438.34 928.27 11808.72 8134.31 6379.88 7764.05 6657.89 4342.26 2843.61 5124.47 3404.56 3394.54 921.73 6873.67 2458.38 3736.59 9090.38 7750.47 3928.03 1280.17 6998.61 5993.02 4008.33 1894.72 3026.9 2747.01 7316.78 3653.96 2811.19 6987.34 3286.3 4248.49 2906.91 5983.81 6053.67 5921.25 6663.03 3076.85 706.81 3900.86 5330.8 1938.6 1100.38 8599.35 814.39 1576.23 3599.02 5307.72 4659.2 3476.15 3496.33 2726.92 1051.45 1972.69 6141.87 2425.65 4841.13 4825.88 513.08 748.27 4658.61 4594.67 4610.23 4569.39 4593.45 4271.52 4657.46 4659.19 4809.64 2,6-Dinitro-4-(4-nitrophenyl)phenol 41772.41 46074.35 53650.04 42600.66 46584.77 21364.91 34211.31 58329.5 59461.24 45875.55 11183.56 29891.31 37048.48 45305.07 41583.49 38594.9 33934.3 43198.91 55848.74 33695.66 46579.77 22258.77 32144.47 51224.11 57733.82 52365.61 54737.17 58711.28 59294.74 37210.26 37865.03 48422.46 31331.33 52619.52 40755.42 57769.18 44280.11 14069.79 40460.8 30785.83 29462.17 37490.01 48716.93 38624.06 50820.97 29119.42 53037.54 47443.99 25835.65 34212.84 29194.96 35335.33 43290.33 28526.15 32704.65 44363.77 38282.57 36365.62 40859.66 19549.92 36763.61 37266.36 40179.85 39353.21 44696.19 41704.29 31703.45 55231.51 41958.23 53697.89 37120.91 37804.93 16548.91 25411.09 35546.47 38544.33 38991.29 39568.31 39217.24 39229.57 38820.56 39706.25 39115.55 37816.74 Decaprenoxanthin 6967.2 3572.56 6043.3 6649.31 1435.62 358.41 6922.12 3837.02 4009.22 4224.77 3037.45 5576.77 4191.67 7285.17 8656.75 9518.7 2871.63 4513.9 7456.16 6120.07 3012.9 3434.92 6458.43 5027.46 2433.54 4858.3 5669.1 12390.19 2865.68 6644.42 3381.2 8664.72 5093.79 1501.15 5313.22 1623.53 3769.48 383.17 1005.89 1101.9 4966.45 2565.09 929.85 792.63 3346.62 1959.45 1024.81 830.48 836.55 3865.39 1045.25 860.95 2074.68 911.07 1300.51 2954.42 1347.82 1380.47 2724.81 440.07 1589.58 871.08 3131.61 2007.3 1084.39 2528.85 1837.85 1870.19 1416.88 2170.07 1277.89 909.87 914.42 481.21 1405.84 4738.57 4760.81 4508.95 4764.83 4506.13 4768.23 2894.71 4767.08 4766.04 Carnitine C17:0 9829.99 16969.39 13301.53 5592 9383.55 7211.15 7374.57 11550.92 11144.15 5096.32 8036.88 8943.43 5145.48 7709.31 7503.49 8752.91 8420.15 5172.91 3574.63 14204.76 11611.14 13659.47 10649.5 12897.65 9044.29 8954.75 4731.94 8181.76 12786 11026.46 6487.3 8772.12 9395.82 14712.92 11329.75 8630.39 5464.16 5553.08 4315.81 2774.23 9311.99 9184.04 9751.98 8058.79 11942.85 9190.98 13756.5 12504.91 18061.95 9790.44 10093.54 11587.66 8125.24 13126.33 8769.32 20055 10272.71 5607.19 10910.85 11537.65 5402.89 11009.1 22441.59 12783.24 6338.14 11207.51 14355.08 7341.1 9902.41 7266.52 10376.08 8439.36 9120.23 7369.2 11816.66 12496.68 12627.44 15160.49 10602.11 12892.36 12680.3 12019.92 13401.3 12312.53 Methyl 4-bromo-2-(methylsulfonyl)benzoate 98040.1 67960.42 41802.63 1898.66 90482.96 210372.98 42944.24 29897.54 22632.79 64663.92 115238.44 43104.35 14142.74 87552.71 4609.44 88839.31 10953.79 639.01 73391.96 64788.69 1961.49 57137.63 45572.01 64843.88 78195.82 98611.89 74325.25 91102.98 76972.12 9079.05 91380.26 31472.66 4951.79 34314.28 69363.85 23828.04 73505.94 238308.8 79007.32 64468.41 61100.64 138327.43 73676.76 69754.13 85975.68 21082.75 40851.31 60890.41 88813.83 143031.54 96063.38 72739.61 79125.74 62163.57 33332.07 84297.94 17648.87 20426.69 43221.26 83080.42 96362.87 60968.54 60446.93 28813.58 64242.11 86924.69 44232.89 28118.36 48374.91 41441.32 53666.39 78466.52 118658.7 75334.33 35273.37 303934.21 260766.04 220286.53 273293.29 228713.05 228747.78 254804.73 236531.05 320031.0 307888.46 251829.2 275208.27 329537.76 233673.88 263343.68 252777.71 247704.03 261035.88 253757.34 297957.37 252003.48 265261.41 295080.22 286234.83 260644.21 84024.7 84660.41 84021.1 84724.41 85378.8 85268.81 85322.48 85314.77 84095.73 L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)- 3115.44 3089.94 4243.39 3024.1 4306.86 2098.09 3497 4441.6 5203.71 3474.38 1285.29 2666.46 3297.34 2996.51 2999.43 3300.18 2674.89 3421.51 3034.08 649.71 4725.59 2428.96 2738.61 4494.62 3397.92 3605.33 3861.66 4461 5826.29 2981.25 3213.03 3143.35 2532.55 4053.07 3766.85 5241.22 3949.15 1514.67 3419.63 2729.53 2131.81 2744.81 3027.07 2902.45 3566.35 935.22 3686.91 4198.14 2150.65 2928.46 2514.58 2749.11 2406.43 2521.92 2813.51 2967.45 3396.2 2472.39 2854.4 588.85 2970.44 2375.72 3123.57 2469.18 3816.14 2850.71 3290.96 5171.09 3115.24 4780.98 4011.01 3267.39 1671.1 2195.56 2973.65 2945.26 2971.12 2975.54 2910.42 2909.16 3036.39 2904.97 2977.54 2697.63 Doxazosin mesylate 8528.12 4808.92 2293.85 2477.46 4988.22 6610.82 4959.8 4221.96 4865.84 1538.07 6069.93 5773.11 6313.96 2209.03 4877.58 7179.8 8809.76 10135.28 2410.36 335.35 459.19 2077.79 3088.63 3992.5 1762.88 1189.18 800.36 1650.03 5454.19 543.1 10855.23 1570.02 9129.72 5832.97 6414.06 619.24 5142.45 11030.25 3592.21 3097.29 4699.24 8438.56 5931.78 817.61 4303.55 7536.45 7348.97 8498.65 3235.82 2236.98 7637.66 8404.51 7024.9 6655.06 1981.78 2413.13 1879.12 3494.09 9150 3354.83 663.61 1868.43 1975.67 10147.77 1732.09 2455.76 5459.95 3264.84 2460.48 10044.08 3474.29 6864.3 3284.17 6919.62 5364.63 4785.14 5426.14 6487.75 6664.34 6284.27 6315.69 6304.07 6171.04 5508.85 N(5)-phenyl-L-glutamine 2476.84 2361.14 1408.13 900.7 5898.33 622.65 470.02 961.98 1880.2 1518.52 1291.2 1399.66 802.2 1131.87 4103.87 1635.31 466.05 2518.74 2323.52 4523.17 3797.1 1536.94 1156.42 1171.84 2285.02 2342.8 1278.82 624.26 2119.58 877.26 1348.77 4522.04 3207.99 1026.71 1057.12 2064.35 3629.47 1617.45 620.02 1108.67 2939.14 3562.19 1308.04 1139.9 3882.26 2899.1 2021.44 1421.63 1168.62 504.41 1007.96 3296.36 1192.8 580.89 1321.94 677.49 1172.74 1250.07 2602.28 1656.48 1289.96 614.48 1029.25 1197.59 1409.36 2557.04 2063.99 957.95 479.84 2511.98 4607.49 3358.36 1468.65 551.5 1167.9 1520.6 1561.4 1295.77 1003.31 1370.33 1500.68 1503.04 1362.78 1557.21 Grossamide 628.52 1504.18 3671.5 1681.55 1102.22 1282.78 1931.47 1734.43 1495.16 1560.47 889.45 1373.37 706.93 1012.62 1567.13 2123.52 1607.93 2481.39 705.82 1053.94 1265.03 1165.22 501.06 2033.24 1802.57 1232.21 658.81 466.43 776.72 1157.25 623.36 1495.6 1035.03 3000.22 2223.75 810.14 1848.77 1086.34 3726.57 2019.34 1437.28 1241.85 3242.73 932.62 714.3 1654.35 1121.91 1075.21 1106.12 1414.07 988.41 1329.39 2736.07 1088.81 677.17 1486.11 1316.63 2427.24 2013.91 855.82 1536.24 2525.38 1125.83 2903.84 2402.1 1983.64 904.6 4049.44 2291.42 1513.62 1365.84 898.7 1310.18 1828.03 3271.73 1684 1670.23 1638.47 1303.48 1715.62 1713.09 1626.31 1708.81 1613.41 S-Isopropyl 3-methylbut-2-enethioate 1270.88 2885.41 1424.69 1314.69 1633.5 1446.73 1405.74 2161.53 3121.84 876.81 1081.27 808.67 868.53 1427.5 4467.72 2182.5 1183.5 571.56 1158.82 5479.1 883.45 3254.82 984.83 1600.53 1708.31 1210.14 1378.93 1068.03 1729.95 1237.02 721.88 2637.78 2319.35 1023.74 1417.12 1568.45 2786.12 1117.96 1031.27 1858.5 795.79 1001.52 1319.38 1111.73 569.22 516.82 3687.35 916.43 991.82 1272.78 1716.11 2976.01 759.53 1228.92 1164.86 4148.22 1051.08 851.7 3969.84 2714.45 1352.26 551.8 2781.97 1790.53 1013.15 986.23 2036.44 1482.06 1897.77 2017.76 1687.21 762.69 1383.07 1845.74 1062.46 1386.09 1367.46 1301.62 1394.11 845.04 1341.26 1476.26 1342.74 1389.49 Leu-Pro-Leu-Arg-Phe-NH2 2333.3 346.02 1818.05 2674.78 5247.92 5628.1 6022.33 2602.79 1301.1 2477.82 2173.37 3262.07 686.24 2977.66 1731.85 1731.84 1015.48 1070.78 4779.68 2725.44 1239.9 845.43 786.95 627.93 839.17 2989.65 3409.43 1673.78 995.48 401.71 1077.36 5651.71 723 6769.2 2098.25 5484.87 6201.2 4643.84 7976.05 1994.36 7398.62 9813.67 2896.19 2657.55 6909.42 2418.91 3841.41 3731.86 1846.17 1885.58 2978.01 2770.65 2365.15 4710.62 4252.16 3360.42 800.19 414.75 4872.34 4110.91 2535.6 1465.58 4597.89 4384.89 2183.22 6642.3 10156.88 3525.85 2574.14 5519.78 5981.94 4784.86 1314.58 3700.45 4570.5 4777.53 4511.29 4769.97 4480.8 4141.47 5020.72 4759.55 4762.38 4615.9 (S)-5'-Deoxy-5'-(methylsulfinyl)adenosine 142769.71 146404.31 189403.58 135708.93 169621.07 62270.66 93166.81 98545.59 168869.95 129572 19837.48 58900.74 84991.34 112190.75 109294.29 103404.51 86811.02 107321.76 138888.7 87590.01 130585.12 40927.82 68198.47 139871.72 180012.75 160812.93 174035.51 165850.73 194271.7 103453.25 111245.31 139679.07 61367.75 163581.66 122711.08 197491.52 137799.53 36137.81 119324.99 95151.33 75558.55 100436.74 134325.01 99501.77 133902.9 69925.48 148297.04 135007.04 63526.75 89935.72 77218.14 93955.92 112094.7 76259.38 87918.84 117771.75 112940.61 89965.78 116809.76 44941.43 102253.15 93625.69 104008.35 103297.48 128176.26 109697.16 91167.71 166358.56 128447.63 154005.68 103201.2 98316.32 42120.38 68324.48 96252.89 112792.4 111409.38 111383.62 112060.06 111261.62 111799.68 112044.33 111361.59 111367.34 Ursiniolide A 878.59 378.4 1092.98 1418.33 1172.83 1360.78 1994.84 4569.26 4029.71 2926.74 1657.89 1817.52 1212.9 855.09 2563.5 1592.99 979.56 2553 1757.67 769.43 3446.87 454.02 973.8 703.89 3452.97 756.92 2705.46 3171.16 2622.56 2831.8 1068.67 1514.03 1184.98 1233.44 606.39 2565.31 3458.41 943.57 888.26 1016.06 2543.1 687.71 3754.62 1556.71 2080.61 2763.08 4347.32 3112.38 840.53 1651.41 4242.74 1233.69 369.84 845.92 1188.76 545.72 756.47 614.12 727.55 438.77 1009.69 545.88 1161.86 984.26 1351.49 2170.01 406 2202.57 2868.52 2710.87 3633.94 1152.1 1990.11 767.96 529.54 1964.22 2009.59 2049.26 1963.41 1875.73 2037.81 2079.88 2002.42 2062.24 Diloxanide furoate 38134.39 39270.97 50286.78 30915.73 41455.76 19312.37 24493.78 48507.8 43824.37 31551.29 9574.29 30893.93 49334.6 33572.3 29329.16 30268.36 25401.87 34342.03 42337.09 28514.97 36431.42 19444.06 31752.14 37357.07 48162.86 33349.77 42849.26 42421.7 46897.41 34204.47 28959.9 32289.66 28487.88 45625.1 29067.14 56953.44 33493.22 11891.84 34486.22 50893.18 25098.97 25244.17 31318.85 24958.18 33793.12 18726.26 40299.61 38259.7 22312.02 22262.22 19842.1 26156.29 29554.81 18859.89 31906.73 31598.14 31345.33 22363.85 28739.23 13713.5 27670.7 36489.65 25181.47 25093.76 30413.77 30056.65 26099.69 46547.49 53744.31 37257.26 25852.7 24520.39 12411.89 15920.82 20999.39 27745.5 27705.73 27745.14 27588.25 27590.28 27440.38 27588.47 27630.18 28082.02 Pranlukast 490.27 447.03 7210.35 1324.37 2471.12 4312.67 2402.76 451 749.99 1173.96 2836.89 2769.67 3897.08 1524.63 1760.51 810.77 5556.19 8466.75 442.34 1287.74 523.13 4923.07 2765.1 6946.65 2122.75 1209.6 1609.68 1888.61 968.17 2944.88 5800.17 3225.38 1670.77 3843.77 9089.67 4636.12 12363.57 5001.72 6617.37 939.68 2370.06 6800.09 11087.88 5726.14 1453.57 5313.67 12736.5 6531.51 3497.87 14794.43 5935.47 6276.28 5039.46 1720.68 8173.49 7436.85 8484.56 4960.51 6991.15 12625.29 7594.9 4524.8 4694.61 2226.86 8774.72 1307.91 534.25 2659.24 4448.21 1177.77 5093.82 6574.76 11512.49 11455.03 10350.46 5764.98 5965.89 6030.48 5469.54 6376.51 6205.19 5427.55 5823.04 6059.05 6-Amino[1,2]dithiolo[4,3-b]pyrrol-5(4H)-one 834.2 430.78 237.3 544.01 16238.38 1562.83 785.61 1372.56 231.2 316.03 1479.09 1483.35 1230.76 1079.45 843.64 1186.38 1074.94 1047.16 460.62 1245.28 293.21 1227.54 640.99 403.73 4301.09 510.97 3376.85 539.62 451.84 356.87 1502.81 579.4 909.08 3810.86 1142.15 654.09 257.1 925.91 1150.2 915.21 298.62 355.32 438.54 750.38 348.83 2521.52 347.18 1228.54 339.71 305.53 734.34 4327.37 1616.57 483.38 943.55 945.26 589.98 665.22 2785.92 2155.26 645.53 3412.9 625.07 857.8 571.29 884.18 1586.07 896.28 970.58 286.02 1512.38 648.03 787.23 1460.12 570.95 1953.08 1989.99 1994 2043.4 1851.97 1991.36 1955.47 1977.61 1969.68 2-Bromo-3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-one 2300.72 2872.58 1852.18 840.38 3067.35 1501.19 1051.61 1941.21 2151.83 1508.24 1122.09 1023.59 582.89 632.94 1972.9 1037.7 871.04 2148.98 901 665.04 2623.79 1075.33 1038.14 1383.34 1996.21 2671.96 1887.68 1196.2 1476.78 1342.13 1619.42 2061.23 595.79 563.61 1013.2 3606.92 2711.85 890.09 999.21 844.66 988.41 1584.98 958.06 1351.82 787.62 1164.45 827.39 1377.64 564.18 947.15 890.64 1555.57 518.77 1003.69 799.87 826.92 691.85 1375.75 1074.09 1118.75 620.32 1133.51 2328.41 862.42 1600.15 1272.95 1281.78 2851.76 5128.17 2681.95 1099.54 1715.6 1076.18 1110.62 573.01 1110.28 1065.08 1082.89 1313.34 1153.68 1157.17 891.97 1151.37 1101.64 Dithieno[3,2-b:2',3'-d]thiophene 5507.48 18160.17 1496.63 2943.77 10667.68 10507.23 7642.72 1590.48 19398.29 9022.68 17454.87 7401.77 1562.67 9124.43 29024.29 10068.25 26592.05 29769.8 9082.56 47606.45 11610.81 10037.69 1253.59 9110.91 3092.16 20898.58 4624.96 4908.46 5655.82 8309.98 33678.35 9472.57 53013.97 11349.77 16007.6 10283.31 27847.84 28339.21 4154.6 30719.93 11527.04 11509.33 13262.96 8825.96 18029.73 5046.43 26302.73 25216.58 2525.6 14475.75 2713.89 15715.72 3767.54 3399.35 9030.99 15806.87 10267.46 44776.75 16966.79 3071.47 12444.33 13266.87 18817.13 24346.17 55808.67 6797.08 16549.7 5303.56 16644.67 26669.69 51272.87 21187.4 39067.42 16332 9021.41 3597.83 4242.8 4156.36 4093.06 4159.54 4108.95 4238.31 4125.81 4237.96 3,4,5-Trifluorobenzoic acid 7504.72 7333.18 5728.05 8903.4 6180.24 5931.94 11932.7 6770.25 7921.5 7941.75 7861.88 637.01 2751.75 7186.32 4472.02 6996.93 7580.54 7091.9 5240.45 7531.51 2065.35 7693.86 1641.15 6124.34 7882.54 7483.72 7984.03 7852.38 7756.61 7977.44 7113.24 7491.82 8554.01 8639.56 6943.87 10537.4 8366 8946.63 7916.62 8459.07 7778.11 9075.2 9639.61 8395.6 8438.13 9494.11 9496.97 9796.08 8911.41 8275.65 9102.33 8000.63 8926.59 8923.49 8492.59 6619.45 8872.44 7696.26 9059.07 8324.51 8530.09 7712.74 8915.22 9005.76 12380.85 7764.52 8504.26 8861.47 9004.63 8009.18 6806.51 7685.98 8831.87 10742.68 9541.47 9052.64 8182.83 9058.52 9384.56 9225.72 9378.78 9407.76 10248.7 9057.57 2-Phenylpropan-1-amine hydrochloride 805.01 518.42 2387.43 1182.59 2482.23 4392.55 4626.26 1141.64 787.52 1335.94 865.46 514.22 2053.58 477.08 595.92 2408.39 689.81 857.69 1112.41 536.46 668.96 1230.64 903.24 1493.27 495.07 1031.88 596.04 1116.53 649.28 655.18 595.55 714.72 869.62 1266.1 926.39 598.52 1620.21 548.93 557.77 1253.18 1265.9 1423.09 2457.51 601.73 489.6 1074.17 470.16 1119.46 1155.17 1455.93 682.7 758.24 2402.6 567.84 1278.42 760.49 1199.79 2150.2 663.09 1186.76 1570.98 1646.49 2253.43 2912.87 1777.09 1012.13 539.71 547.67 957.23 1234.52 961.38 512.61 1344.96 3211.13 654.78 1111.87 1161.01 1097.84 1159.65 1267.22 1164.98 1099.64 1111.97 1128.53 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile 1133.23 2579.51 966.73 759.89 1289.76 1674.07 828.83 2703.15 4656.25 476.18 552.76 721.91 663.92 1449.93 3978.1 2477.88 4199.27 3213.11 1771.43 3076.3 880.76 613.53 703.59 639.89 1367.34 2537.34 1829.53 1047.74 740.3 902.82 990.07 1256.34 1670.82 582.31 1417.65 582.34 2060.23 1101.77 837.94 1919.89 811.32 536.27 2515.25 1376.5 1898.55 1052.12 4632.52 2048.87 543.7 1131.89 1309.46 1510.82 813.54 694.99 522.6 1608.33 2287.18 906.92 4284.14 1661.74 1799.04 1028.69 2592.8 2745.52 1598.17 443.62 1901.01 1536 3029.64 4893.82 4162.89 1109.38 1012.59 1436.64 666.8 1615.11 1627.45 1663.67 1712.47 1669.25 1777.94 1712.79 1452.73 1584.85 N,N-Dimethyl-N'-(3-thienylmethyl)-1,2-ethanediamine 2326.41 3833.52 1003.49 2840.76 5517.85 4960.04 3445.28 7001.4 5238.48 3978.22 3453.79 3276.37 2976.7 3367.41 3343.43 4990.53 1923.9 4034.59 2741.54 7526.87 6018.6 5464.42 1646.99 3436.17 4760.92 4561.17 3927.48 4561.65 5569.53 2336.62 6416.88 9903.92 2083.02 4499.4 4272.82 4543.35 3972.84 3880.32 3047.79 2290.69 6048.31 4785.67 2827.77 4078.83 3494.56 1528.71 6021.97 4820.98 4437.32 5309.77 3000.98 3435.5 2854.07 3196.58 1915.78 3752.68 2087.38 822.7 2177.73 2117.95 2975.84 2098.64 3678.66 3627.31 1734.51 4204.87 5861.21 3015.7 3454.2 4155.23 4993.91 3806.01 4493.97 879.19 3585.24 3868.55 3836.9 3935.25 4008.27 3944.84 3837.5 4058.19 3836.35 3161.85 (2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 3979.76 1907.6 1489.32 2722.55 4229.93 864.76 3375.89 4682.62 5287.81 3211.93 3874.44 4110.39 1726.6 2531.29 1509.51 2896.06 3095.63 1241.07 4184.66 7345.68 6278.65 1164.03 1130.94 3264.19 3286.52 386.83 2036.82 5532.02 5088.42 1552.11 1919.82 2162.82 3552.96 3191.43 10767.19 1777.74 656.76 3035.04 3716.32 4995.45 4240.47 720.92 3328.87 3075.18 4605.58 3950.03 13515.84 1058.12 2180.74 3408.97 6320.71 8439.27 4176.36 2092.52 2907.63 8564.16 5840.16 1826.25 4756.43 3274.41 859.29 4552.54 8618.6 5003.23 3303.1 2870.76 5784 946.93 1621.71 4742.58 5116.02 4168.46 4078.6 1978.45 3988.79 5979.52 3997.62 3673.9 2594.6 4445.79 4414.08 4018.3 2811.52 4415.79 Fusapyrone 1454.37 2249.19 4869.31 5650 2124.33 5674.59 26417.45 824.03 6380.42 11372.46 16463.52 14841.45 19808.29 10172.14 721.71 9720.26 6085.84 761.85 11169.65 2539.05 7207.66 6229.89 11158.71 7829.42 3805.3 4636.05 8745.54 9087.23 1895.15 6511.14 4806.49 16720.63 4153.49 14226.43 11565.05 4650.25 4960.77 11534.78 13316.35 20498.66 8275.77 10178.46 14956.73 13276.55 8587.72 18688.31 6232.35 9652.86 17214.69 24681.28 4361.28 4698.31 9589.82 14503.61 3748.17 1240.69 7137.91 7412.42 3372.21 2131.52 1351.72 11207.47 2297.85 11311.75 7269.45 5074.15 7935.2 10839.71 11135.45 3993.35 7214.72 13328.55 21101.98 19865.65 19019.18 10395.1 10242.33 9807.3 10607.77 9980.81 10272.28 10009.12 9955.21 9828.24 5-Methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione 1988.03 984.92 1114.26 528.25 3327.98 2966.53 1004.23 6613.7 6426.54 2460.21 2361.13 1413.79 1753.24 1062.04 2174.49 1600.29 1572.66 2452.34 1599.13 3240.7 425.25 1482.62 1075.2 638.88 4327.8 1360.58 976.87 1146.21 8229.74 1006.43 1813.72 644.92 2007.49 3300.17 1053.65 924.34 2247.76 1313.45 1252.24 3209.49 1798.99 3181.68 1147.18 456.98 1317.68 2045.17 1934.91 859.3 2804.83 441.2 3324.05 763.23 2048.43 2155.92 3000.22 1676.79 1464.3 674.8 2415.06 1590 523.19 863.1 1816.39 1739.19 1095.18 2803.54 737.13 525.46 987.3 4686.82 3482.47 811.75 694.89 718.81 725.64 2284.79 2052.29 2044.16 1898.71 2064.88 1743.9 1867.32 1117.84 1974.46 Isocil 118781.97 164377.44 205083.23 131356.73 170609.94 48658.32 240567.3 162510.4 145306.39 133293.78 158652.16 177129.45 127731.81 105552.36 199047.72 103289.11 132599.37 90115.49 95385.67 123246.85 101970.39 176798.73 206451.77 289804.26 107197.87 196455.14 159315.44 104157.83 186549.85 47175.85 147168 79817.86 149184.64 85676.03 146528.04 87685.83 102157.79 109941.99 133457.83 154633.07 47013.37 127556.43 83550.71 128983.78 51341.89 187504.21 65298.86 64479.45 139135.51 31399.1 65056.16 142619.41 87896.56 159204.48 130921.6 164286.28 82306.76 97600.34 95180.5 73613.57 94219.88 263119.4 100552.78 98417.29 235147.33 80439.5 103311.45 238329.06 95821.56 165492.2 184092.64 96685.19 124156.94 136240.89 86951.34 149314.58 157146.32 144984.92 157442.09 144533.77 144885.89 156965.1 155919.69 156777.71 Fortimicin AP 635.88 339.86 96.24 679.51 43340.66 38467.29 21539.41 382.46 175.89 163.98 432.47 317.2 284.92 352.6 65.97 480.3 198.01 567.47 153.93 106.89 67.81 69.42 195.66 109.24 101.09 161.94 99.41 96.6 235.42 429.01 415.77 52.34 932.78 185.66 145.35 109.97 135.86 298.96 52.14 120.12 8442.78 654.92 93.82 187.15 234.74 790.08 156.97 601.54 95.61 241.36 136.57 115.71 217.04 229.75 172.52 123.86 172.27 178.18 91.98 814.51 76.93 91.42 124.16 218.15 75.85 242.16 416.78 110.58 117.73 346.94 164.91 173.55 91.03 211.4 188.5 1326.38 2093.68 2166.13 2194.1 2226.26 2335.87 2175.52 2192.39 2089.53 Radicicol 1933.02 5415.89 2355.92 4242.23 5796.26 2021.72 3374.89 4231.26 5399.43 3668.59 509.75 1765.33 1576.46 2897.99 3160.37 1541.78 1666.44 815.32 689.22 1721.05 501.6 749.79 548.32 5941.21 6971.03 5309.11 5710.83 6902.79 5120.74 4019.41 4356.65 5514.75 2429.14 4415.34 2467.55 6142.09 5424.03 1023.59 2677.6 2890.38 2320.52 520.74 3937.51 2548.23 4585.3 495.17 5857.1 1720.34 2781.43 3596.31 2547.38 2944.21 1062.63 3115.29 2602.37 5744.63 2434.84 4041.89 4142.04 1728.24 4409.65 2270.3 3908.86 2448.26 1814.28 2330.83 2447.24 3774.8 5834.3 5675.51 3960.92 3921.88 1158.98 2181.92 3229.12 3295.62 3340.59 3164.74 2908.65 3199.47 3489.79 3383.92 3244.08 2032.49 N-cyclohexylphenothiazine-10-carboxamide 15444.14 15825.97 5076.84 1261.32 12649.91 8929.32 15008.11 6950.82 14801.18 9917.85 9966.74 10209.97 8407.23 11018.62 13479.26 13828.7 7104.24 12558.62 15992.78 24016.78 15608.46 17991.45 6084.66 10062.73 12901.12 1909.39 9952.97 10436.31 20589.64 7502.8 17595.02 20864.83 4928.07 9456.79 9034.23 12946.03 14874.98 11980.64 6277.88 9373.16 15342.39 16228.89 10340.86 5860.97 16033.79 9912.89 23683.71 15216.67 10314.25 16355.38 10084.28 11849.41 10425.39 10063.64 8646.19 12892.59 6687.59 4244.77 13155.5 12592.13 9530.8 5401.74 15706.07 6989.75 7868.93 11385.4 19111.88 12155.85 11234.43 13732.64 16602.02 11524.53 10514.39 4850.94 9758.04 11832.27 10595.27 12084.93 12091.21 11633.57 12032.87 12003.52 11765.55 12999.81 Cloperastine 26019.59 31857.1 16377.83 6645.29 24384.78 26416.3 25160.47 33273.21 38646.06 15828.76 10585.98 20155.94 13257.85 14666.56 25928.21 25591.94 16938.45 23769.53 20241.86 28135.94 26310.55 4915.89 11144.69 23334.82 26484.29 27648.05 19649.49 12492.79 32767.25 1269.24 4732.23 35034.82 6740.53 17827.31 17542.04 27746.64 28644.63 10687.89 10372.25 22385.86 22813.96 10886.54 33595.76 14893.92 9024.22 15872.31 32484.31 19444.35 19801.36 19540.42 18524.79 24833.41 20486.09 25311.83 8202.88 18206.02 10228.55 16904.27 8493.28 26185.44 12169.56 14086.58 22395.75 22260.82 20281.06 26389.59 1680.79 15146.5 20799.5 34061.13 9843.24 10274.43 27639.22 24323.67 17995.75 18829.64 19333.51 19219.03 19478.94 18955 14017.93 19026.21 17338.67 17965.52 Apparicine 3894.5 4354.27 4411.7 1312.43 3576.39 6311.13 4464.1 4542.78 3248.42 4047.22 4226.89 2300.17 1882.66 4206.61 4666.99 7819.01 3467.44 3415.89 3853.17 6514.63 4753.45 1976.44 1974.25 4145.66 2390.51 5186.92 2036.25 4460.13 4635.84 5815.33 1579.14 4879.59 4232.45 4214.75 1670.03 2129.53 4501.15 3440.74 3909.08 5264.14 2261.38 4059.75 3896.92 5069.14 2745.93 2602.38 2184.53 1581.13 4111.27 1317.84 3582.19 3557.94 3000.26 4172.37 4399.03 644.09 8141.44 5879.42 3758.16 4764.74 2785.97 4183.91 4581.8 4575.73 3153.56 2416.74 1381.58 4517.63 3762.71 2707.08 2235.27 2077.67 3624.2 4857.76 5944.15 2504.05 3352.8 3370.19 3279.55 3510.49 3416.35 3061.45 3352.19 3136.76 Laccaic acid D 2606.71 3392.03 2403.29 10893.71 12624.81 12996.83 21709.86 2382.38 541.91 4033.12 3185.43 4041.65 5896.67 4370.9 3904.58 719.74 2112.87 3412.06 3769.15 2032.29 2999.96 3901.47 2799.76 4230.13 3892.93 987.29 4203.43 2520.37 4196.65 2788.89 626.73 4671.78 4102.39 4010.39 2878.11 4052.48 1503.8 2231.26 3222.26 3778.27 3143.35 5210.43 3197.75 2324.73 714.94 7459.93 1540.9 5336.54 3660.14 3232.15 2088.12 3280.68 3298.44 3891.97 805.09 3418.42 1371.24 1900.13 2640.24 3020.76 4123.43 2523.89 3994.6 2879.25 1525.52 4009.42 1538.29 3590.48 3030.92 1543.87 1833.41 3991.78 1462.96 4132.64 4181.78 3271.42 3474.94 3226.84 3434.93 3155.57 3434.51 3206.75 3435.94 1915.85 5-(Trifluoromethoxy)isatin 1140.84 3168.75 1710.05 1853.32 953.87 1910.12 1319.55 2908.48 1102.01 3552.3 1132.27 2273.56 2049.08 1594.45 1684.65 3267.62 2280.02 2587.31 3378.41 1169.65 617.44 1317.22 1408.71 2723.04 3172.61 2254.76 3621.73 2567.84 3203.74 1827.64 995.44 880.89 3338.91 2793.68 2438.27 2961.78 1486.33 1027.64 2668.2 2871.41 1072.19 1324.61 2277.41 1378.26 904.74 1397.31 1172.95 3197.8 2320.15 1193.22 2282.94 2332.42 962.83 1249.25 2014.5 2637.76 1423.01 1898.34 2494.76 746.8 1977.41 2779.49 1600.41 2047.06 1440.33 2478.01 704.7 3269.25 2819.78 874.35 2742.87 3209.5 1961.87 1733.22 2639.36 1325.65 1519.73 1611.29 1595 1671.24 1604.83 1561.14 1672.42 1657.44 9-(4-Bromophenyl)-9H-carbazole 1677.15 1719.43 1657.07 1175.43 807.11 1468.82 3350.92 2019.64 543.38 1977.31 1179.67 3105.25 2216.65 1831.46 1130.64 614.59 693.06 987.99 991.99 2537.97 1002.78 3072.17 2082.29 1741.09 1271.06 2025.58 2510.27 1226.64 1784.69 2439.78 1172.04 2589.92 1953.8 1355.02 4139.59 1498.63 1659.69 806.15 1626.6 790.54 1654.27 711.78 4098.31 1946.21 1558.24 2730.89 2377.63 2067.07 681.35 1154.33 1461.04 1305.72 3346.79 1723.56 821.43 1437.16 3454.9 8840.08 989.79 1614.69 1433.04 1443.15 1167.49 4298.6 541.79 1241.88 1224.54 2736.68 562.17 1031.75 1870.39 4545.42 2292.92 3361.01 1972.37 1817.81 1784.66 1678.46 1654.08 1926.13 1822.18 2107.29 1802.45 1984.86 3-((Bis(diisopropylamino)phosphino)oxy)propanenitrile 2057.38 2348.58 933.33 5319.91 108538.75 24045.64 27616.14 1705.05 666.94 1331.13 2410.75 502.03 17699 1431.18 2407.07 9002.09 685.88 2058.65 1160.94 1234.57 1894.64 196.35 462.51 412.4 1753.87 2105.98 4905.31 1245.96 3674.4 1078.09 2030.33 1248.58 518.5 1482.09 795.68 2554.71 743.98 879.85 1122.71 2051.42 32646.12 10195.97 262.03 2055.35 773.52 15436.03 2340.51 2987.95 1101.73 1267.11 1604.34 1147.39 910.74 5623.19 17358.85 2390.95 262.29 679.5 3472.35 7473.88 817.66 720.87 1249.22 1846.27 723.98 4401.79 1656.22 1231.59 2338.5 2585.5 1452.31 1623.03 264.06 516.28 8294.99 6947.79 7765.6 6930.01 3661.74 7234.07 6782.73 6995.42 7021.1 6514.13 Ethyl 2-amino-5-iodothiazole-4-carboxylate 1303.87 1711.78 2104.41 1494.14 3503.53 553.29 768.08 2511.94 1288.95 3069.51 2268.11 2233.5 6299.32 1059.8 1610.41 1346.88 1375.92 1327.46 1338.23 1205.03 1922.55 4077.14 3690.3 755.31 3629.82 1997.62 868.56 1519.27 2397.7 1223.37 1222.34 2824.58 583.04 2109.95 2539.96 3625.56 1354.03 1791.47 2671.21 1820.24 2387.82 1362.71 1192.63 2779.14 3466.44 1541.68 918.37 2480.66 816.73 1815.63 2569.85 823.24 695.51 3151.47 4354.59 1856.99 2549.66 1885.89 2505.35 1247.74 924.96 2368.69 1752.56 1852.34 1393.34 557.4 1575.6 3221.48 1482.33 1024.51 2084.29 2123.31 1776.74 875.86 1585.69 1765.17 1830.72 1357.58 1850.65 1935.72 1946.78 1910.55 1550.8 1868.53 Hydroxykynurenine 16181.29 24960.82 3571.53 2065.98 19451.93 21962.14 18090.8 25780.16 25903.24 17727.65 14365.92 13286.87 10861.1 12237.95 18167.72 18257.2 12292.31 19035.19 17196.96 24214.3 17656.59 15277.36 11457.93 13559.94 21010.23 27330.53 14379.5 12827.85 19482.14 6540.2 20417.56 21817.18 16369.74 18084.69 10470.82 17009.96 15475.63 20575.11 11911.78 5896.02 17519.47 24893.77 14746.73 6366.64 17677.98 3309.82 27982.65 16692.9 11007.81 15129.74 15085.68 26631.39 14862.54 12803.82 9886.54 18794.33 6268.21 10564.61 20138.11 14252.44 7488.33 7762.79 14854.06 12754.15 7543.97 19477.52 24553.65 15356.35 12053.16 22195.02 15754.89 16619.53 12274.91 12793.67 15182.85 15617.47 16327.53 15877.54 15636.09 16278.66 16270.47 10770.18 15887.62 15633.22 Guanylurea cimetidine 2758.78 1017.68 1525.67 1414.47 1811.07 1355.27 2034 1915.1 1156.52 1962.53 1542.9 1225.36 1626.87 1552.1 2914.5 2111.25 1330.1 1296.81 1586.97 1029.01 1595.64 1023.49 919.16 2123.57 1677.71 1742.9 1932.83 1611.9 2806.76 1425.53 635.01 2978.41 862.95 1816.31 1024.75 2073.94 1383.2 1662.35 2143.74 1811.89 1231.6 1568.09 1421.09 856.42 1739.36 2304.03 976.3 1550.48 824.7 2155.56 1047.6 950.45 2235.4 1846.77 1416.86 1202.64 2000.65 549.21 1469.45 1753.63 1449.97 1949.9 1288.52 747.76 1909.01 1323.51 636.49 1007.87 2227.38 1810.4 1347.04 1954.95 1349.34 2182.4 2295.92 1890.72 1542.27 1748.58 1742.9 1682.9 1680.31 1710.76 1706.97 1680.39 Clothianidin 6595.49 9174.97 5442.72 5103.09 5642.75 4622.89 1529 1637.95 867.26 914.8 1266.77 840.48 739.74 1343.29 1988.22 1682.11 1385.71 1423.85 1807.18 1788.25 1828.12 862.4 973.77 6361.93 9033.71 5348.24 7949.71 6929.4 8026.42 3443.86 885.97 3846.41 1362.4 3719.07 3662.24 6339.58 4922.32 4115.49 5079.84 5199.73 1539.84 1210.98 951.25 1068.08 1047.25 855.43 1495.27 1313.59 1104.29 1136.07 997.13 1312.52 1118.19 1074.68 1019.96 2816.01 881.93 2126.62 922.85 1031.85 1274.95 2138.96 1441.06 1750.39 1207.95 1023.75 904.3 1392.3 2577.27 1767.17 1193.85 2428.45 1085.03 1021.27 1376.21 1133.17 1075.65 1014.3 1140.09 1061.58 1240.87 1099.08 1055.59 1119.62 2'-Deoxysepiapterin 6881.33 7689.95 7487.77 5448.04 7894.19 16645.75 7417.88 3530.65 10781.4 5431.88 8988.59 4506.31 4141.74 2906.1 6332.26 6224.04 4780.57 2899.5 7682.62 6942.23 7779.29 7864.87 6004.16 3270.59 6948.98 8373.9 5563.46 4107.86 7815.95 2595.88 6787.49 7209.6 4870.82 6082.52 5646.43 7063.37 6752.15 10960.69 4505.78 4920.83 6442.61 8580.71 6069.77 4067.18 7403.99 5199.28 8899.23 6242.12 4885.63 5972.89 6977.72 6036.53 5928.84 5200.21 3604.7 7433.86 5551.84 6353.66 6362.15 7835.71 3609.67 4941.85 7855.32 7015.85 5039.36 7887.31 8573.8 4620.08 4979.78 7381.71 6154.97 7881.83 4901.61 6703.65 4946.1 6306.54 6324.59 6408.06 6515.27 6377.55 6021.43 6541.47 6709.72 6332.12 Prolylphenylalanylarginine 1723.41 2881.46 4115.27 1063.39 5602.44 1964.65 6170.03 2397.72 4209.39 3907.87 3063.06 2181.74 3925.57 2147.49 2748.88 3340.35 3790.03 2656.27 1347.88 2727.81 6545.39 1677.96 1297.56 1302.5 2299.81 2821.83 8761.21 4057.92 3856.77 1695.72 2931.56 974.94 1011.24 1666.88 4325.73 961.23 3462.23 1506.51 2176.85 2799.32 866.67 1647.1 795.58 1231.16 4301.48 3890.01 670.37 1676.32 5340.6 2546.08 4104.14 3637.67 3530.18 2584.63 1874.9 2427.03 1983.7 3511.7 2906.14 1218.62 5013.01 2770.04 4691.24 1654.17 3076.68 869.1 3886.41 4292.63 2598.98 2629.1 3659.26 2424.59 794.19 2007.46 1926.96 3079.83 2360.71 2632.25 3264.38 3010.32 2591.55 2801.69 2784.15 3063.93 C.I. Vat Yellow 4 3721.28 789.48 940.71 2122.11 1024.39 2217.52 2438.07 3454.46 3293.09 2783.13 1288.91 1841.22 1594.64 1600.9 1041.76 1870.59 2247.11 1827.12 620.36 2234.92 4318.66 1142.61 1146 1537.78 2037.99 2645.37 1022.47 2730.02 862.61 1124.27 1826.61 1169.28 1006.71 2169.7 1191.73 1707.5 2711.99 2087.22 1168.86 2011.66 1837.89 6061.84 793.01 1989.94 2218.83 1477.95 2451.56 1041.81 2756.61 3235.24 2310.58 808.84 1693.05 1012.88 2697.5 1463.26 603.34 455.64 778.3 801.62 1677.39 1376.64 1164.92 1648.68 1814.89 2516.04 880.93 881.66 4089.88 3194.92 2870.35 1824.9 2108.99 1493.84 1242.24 2370.98 2112.33 1359.58 2229.53 2049.13 2196.05 2217.23 2186.03 2154.48 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol 1577.84 4820.65 909.48 902.41 6153.42 5252.6 4615.76 3338.96 2200.33 673.49 1144.35 722.85 1484.85 3890.85 4119.63 3108.06 2530.25 3321.86 5382.42 2750.29 1258.71 2530.76 1610.05 2761.6 3747 5480.63 3598.03 3758.26 4796.45 3266.51 1971.27 4332.94 4227.85 1869.76 4207.05 4176.71 5359.58 3117.98 3312.28 4907.83 2646.28 2223.64 3951.76 4438.25 1291.39 2787.44 919.07 4401.64 1752.01 3845.96 2563.58 3020.26 5302.84 4699.66 2102.71 3722.26 1319.96 932.42 2597.41 2355.28 1548.81 519.56 2384.33 4298.2 2417.14 4613.95 856.06 4173.57 2196.01 5133.06 3967.34 3188.24 1357.98 4641.81 3814.7 3131.21 3002.18 3425.33 2989.68 3129.82 3021.92 2991.03 2477.55 3114.68 3,7,11,15-tetramethyl-2E-hexadecenal 1349.29 593.93 859.63 1132.79 2253.02 4423.48 1316.2 731.22 1277.25 625.62 1447.93 2679.41 1189.56 5697.58 822.38 1789.47 2291.24 6283.57 1753.37 2456.4 1365.21 3557.01 1516.79 1314.41 570.67 812.03 1270.8 583.32 1139.57 760.6 6460.45 1120.53 657.48 573.6 972.8 2089.1 517.01 1667.58 820.94 743.76 6990.43 767.09 1351.08 913.03 2816.78 2005.77 2789.1 1382.65 733.29 7312.89 5183.63 1429.58 1064.59 2954.55 1974.52 1822.66 818.28 1440.16 1209.06 954.05 861.67 1078.75 1085.83 1206.4 934.42 1060.46 4063.63 1484.13 703.63 901.2 1001.34 1351.74 548.67 1204.85 682.22 1262.38 1265.27 1211.57 1253.15 1190.61 1271.34 1010.74 1334.83 1201.89 [(E)-2-[(3aR,4R,6R,6aS,7R,9aR,9bR)-7-acetyloxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl]oxycarbonylbut-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate 3619.34 12455.11 2944.15 1961.13 710.95 6719.18 848.27 3144.98 5784.64 4034.71 2339.83 6740.56 4248.18 1519.32 4415.1 2013.93 1218.12 4452.19 2494.9 19679.34 2523.96 4995.79 1818.34 1601.1 2037.11 1901.44 3783.81 6891.82 4077.67 3566.76 2444.53 4902.01 1213.43 2138.25 763.18 4529.81 10908.26 18323.11 4057.71 1162.98 6217.43 3408.53 4725.07 4059.57 4467.74 12473.78 9812.92 1979.97 465.63 5511.25 5593.86 2371.79 5820.24 3514.51 721.91 5433.67 3288.35 1771.52 6331.78 5705.3 4213.22 9022.95 10576.97 3370.77 3089.38 2610.5 14596.77 7525.86 3537.55 5287.79 15876.85 3100.43 3406.53 4223.57 2669.69 5021.06 4143.13 4861.93 5054.16 4240.02 4845.64 5025.07 4904.7 5022.77 Uroporphyrinogen III 462.23 1866.43 460.46 827.45 1190.69 430.86 1258.91 935.87 1052.59 437.15 750.12 260.63 298.99 539.59 506.82 258.16 1847.82 649.45 1187.14 245.37 1124.6 549.79 670.89 430.03 432.82 1943.92 611.62 537.76 743.15 271.53 579.83 1036.22 693.23 436.06 602.28 790.7 529.79 656.81 512.67 511.46 1754.63 553.43 3113.92 646.1 1012.26 578.47 2921.72 858.2 392.69 890.05 540.5 421.7 476.58 827.48 626.95 1390.6 229.34 675.02 518.31 1535.96 785.38 564.54 3194.33 690.88 436.75 544.8 619.38 1350.57 2843.2 2561.56 1088.28 1136.87 783.41 278.12 1971.16 1981.18 1593.25 1382.29 1333.04 1275.28 1772.24 1127.24 1405.38 1640.6 (+)-Cloprostenol isopropyl ester 9518.08 5631.56 5758.31 2397.63 6297.08 6091.57 3438.12 1071.65 15343.89 3326.53 5985.47 10357.81 2349.16 5343.27 7526.15 2974.58 3011.64 12365.92 4821.15 8482.03 2970.27 8458.95 4050.29 3669.58 7969.44 5270.68 3911.91 6556.64 3307.62 1682.48 17419.64 870.73 10130.1 480.99 2287.69 3173.79 4182.6 7479.91 3760.98 4225.05 3558.57 5456.62 4075.5 3569.98 4464.12 658.34 12242.77 6392.28 3288.49 5817.75 3966.16 1247.97 3035.9 1186.99 1324.98 4178.9 4268.31 3267.07 12403.25 4119.78 2967.29 2650.52 4707.01 820.85 3609.44 12964.63 7159.59 3339.97 2242.3 5728.72 15789.04 4251.23 7273.65 3670.25 4375.58 6965.19 6504.89 6653.72 6567.76 5986.98 5693.46 6464.27 3675.7 6188.34 N-(2-Oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide 25900.02 23742.23 30280.48 24095.41 27260.68 12977.95 14817.9 27311.16 27444.64 21182.81 3983.92 9493.04 13937.75 18944.77 1102.28 16369.46 14069.58 17918.05 19883.25 14822.1 16566.76 4903.61 1241.62 25435.63 27057.79 28468.07 29213.21 30420.55 33425.21 19591.84 18520.93 24630.62 9016.03 29015.43 21384.84 34713.05 22647.98 7932.38 22424.59 16223.31 13980.81 17702.47 23581.76 19286.29 23694.72 13708.35 29405.79 22808.57 13763.08 18441.54 13798.73 18241.37 19479.57 10867.58 15383.11 23276.73 19610.97 15725.5 20946.37 9445.67 17116.36 16964.53 18586 18528.6 23531.25 20659.92 17136.24 31309.37 25507.16 28983.68 21009.54 15302.14 9200.26 12724.82 19085.82 20702.28 20462 21016.15 20711.72 20615.36 19876.72 20458.69 20453.28 20565.19 29-Hydroxyfriedelan-3-one 3693.54 5180.05 4768.95 8620.83 6757.04 2895.61 5063.63 3054.77 4303.86 8381.39 3197.3 5349.24 20425.66 6487.63 623.62 6952.58 1718.14 1391.29 1196.47 1226.2 5128.14 7505.22 7391.81 3950.95 4281.62 4990.44 6085.82 5423.71 3832.5 4094.6 4976.52 546.53 6342.26 4068.24 4392.78 4522.16 6112.72 6473.84 5961.58 6059.17 3767.79 8174.74 4076.85 4110.68 6541.49 49386.74 3696.68 4129.02 2342.9 5961.34 6463.66 4549.58 4956.57 4621.42 2691.6 5445.35 5234.37 5194.42 3385.16 5368.81 4516.61 4556.98 4235.99 3072.85 4473.88 5397.8 6912.45 6228.74 3139.17 4550.31 5262.09 3797.56 6356.96 5482.63 5685.67 4565.62 6049.06 6962.48 6463.91 6759.47 6861.55 6273.7 6757.02 6728.52 2-Amino-5-methylbenzothiazole 1752.22 3430.77 2877.02 3104.35 2956.28 4204.07 2458.42 1932.04 1940.37 2675.05 1674.46 2727.85 3329.09 2381.59 2850.29 2880.08 2317 2412.1 3789.92 1209.68 1267.96 2539.75 1892.31 3196.54 2983.78 3070.13 2870.19 1959.71 3746.57 1898.25 1551.53 3457.63 2741.71 2463.25 2609.81 3149.86 2011.89 2863.47 2247.39 3111.23 816.47 2356.67 3071.26 2499.39 2584.56 6559.81 2872.43 3177.53 1739.1 2980.2 2135.08 2312.48 2698.84 2880.49 1633.37 3205.15 2939.18 2608.4 2603.91 2324.27 2606.24 3279.79 983.08 961.89 2480.64 2831.45 1494.57 2780.26 2134.62 2527.22 1712.13 2381.12 1051.39 3033.15 1544.45 2287.49 2405.84 2406.37 2383.11 2375.45 2448.22 2294.43 1316.57 2556.55 Cefpodoxime 12231.58 8001.33 12792.41 10395.63 12796.38 5394.15 8987.83 15655.38 14549.68 12298.75 2875.5 6522.16 8965.29 11587.7 10917.18 9174.43 8324.37 9595.03 9528.13 9002.99 11182.03 3413.31 6919.77 12328.2 13735.25 13546.44 15742.01 14559.24 9845.04 8662.23 9285.42 12330.77 3080.2 13601.64 10740.34 15835.26 11235.44 3531.66 11116.96 8231.14 6884.64 8961.42 9582.22 9315.05 12908.31 6274.82 12261.81 12355.52 6693.23 8510.14 6725.19 7868.81 11278.36 6607.47 8671.94 10343.78 10164.14 7062.5 11500.28 4627.83 9879.92 9366.27 9208.36 10362.79 10955.02 9871.49 8334.04 13842.24 11949.99 14759.26 9739.52 8238.13 2561.46 6659.88 9300.52 10260.4 10268.65 10400.58 10419.24 10349.22 10257.62 10405.91 10292.2 10359.82 Ethyl 4-(benzoylcarbamothioylamino)benzoate 9286.26 9119.51 2875.84 4216.88 7634.44 8397.91 7057.27 10609.39 12613.13 6867.81 5247.44 4928.02 2690.94 5744.48 10751.88 8640.53 6137.09 7559.92 6418.89 11286.29 10477.07 3593.86 3161.79 5160.9 7589.82 8431.87 6718.44 7274.92 12608.21 6334.34 8749.35 7599.88 7081.33 4566.79 4711.87 9639.71 11071.47 8371.68 5178.77 7253.84 9667.66 9768.93 5873.35 5174.14 9174.77 3969.91 11315.57 7820.69 6213.74 10004.43 7378.45 6604.86 4830.86 5303.74 8450.06 7723.78 3186.88 3483.7 9940.1 3531.13 4510.87 4163.02 7400.12 7193.02 7047.3 8902.42 10827.27 6407.79 8056.87 10646.76 10798.57 8102.6 9167.87 6671.44 7301.41 8510.39 8112.48 8212.65 8107.81 8216.05 8108.33 8198.09 8214.86 8206.47 4-Amino-2-chloro-6,7-dimethoxyquinazoline 1845.17 8932.16 3512.16 3586.95 3567.06 1190.72 3970.21 1854.77 2911.45 5512.02 1428.47 2001.49 4232.13 2769.29 2046.44 1775.16 4571.22 1292.67 3115.81 670.2 1107.5 2989.02 4185.91 3722.83 2116.5 2059.84 3311.62 913.55 3077.84 1561.45 1846.34 1887.84 2828.78 6359.96 5011.05 2160.59 1134.8 2066.43 2635.63 4422.98 3346.1 1385.59 3973.18 1232.95 752.77 2357.44 737.77 4158.06 2784.71 1602.33 805.78 8843.04 4251.77 3992.76 1930.94 5175.58 2744.26 3481.27 1638.94 3325.57 3873.47 7844.2 2390.64 3830.1 2654.9 3546.86 2451.16 2611.23 2070.03 1747.87 520.4 7945.51 2160.14 6170.17 2033.24 3566.55 3576.9 3622.84 3623.35 3582.89 3625.08 3573.16 3627.06 3581.92 3-(Hydroxymethylphosphinyl)propionic acid 5061.36 5509.02 4489.67 991.4 7130.48 5821.39 6198.98 6135.62 6083.15 6471.64 6101.04 5902.36 6764.08 6893.95 5903.76 6400.33 5974.41 6036.59 6527.23 3498.94 4703.37 4679.57 4681.55 7259.31 5332.86 5832.43 5512.83 6388.93 5974.69 1355 5792.35 8862.48 4686.26 5686.95 5910.17 6278.28 5247.68 5249.4 5553.37 5034.3 5376.67 6797.88 5853.05 5252.29 5758.99 9360.91 5736.21 5914.41 5924.33 7722.85 6354.36 6800.58 6511.93 6845.49 4352.31 5876.84 4044.4 4356.53 4575.4 3179.72 5196.37 8091.62 5598.61 4985.66 3826.65 6090.41 1178.66 5669.16 5365.26 5423.18 5202.43 5951.28 5008.85 6086.67 6110.59 6326.93 6340.55 6634.69 6512.83 6558.83 6973.48 6375.14 6419.74 6008.67 Lincomycin hydrochloride 1489.9 17.97 1834.62 3.88 9.36 10354.05 52605.96 19.15 258.96 26317.69 38 44.64 11.32 4.09 219.39 7.03 4.85 6.08 2755.24 46.45 17.88 227486.37 239.37 1384.79 14.48 32912.22 580.07 83.49 2438.25 150.51 10.5 50.88 4115.64 3530.51 29.64 38.98 4.19 241884.55 481.54 22.18 11.57 2872.73 10.06 5.94 6.43 11.96 11.93 110.45 24.89 3.99 4101.66 158.63 11.85 7.66 1383.95 2901.57 3410.26 14.88 12.43 25853.75 2577.76 808.55 93.8 10.52 14 1668.18 168.75 1912.03 861.47 5164.42 13.09 13151.58 3.7 9.38 7.68 22435.39 22351.47 22336.62 22390.06 22329.71 22069.07 22480.42 22319.89 22373.68 Trimetazidine dihydrochloride 9550.17 10708.79 7298.13 7833.01 3158.05 8278.5 7174.7 11481.46 10204.34 10528.34 8889.5 5088.27 5021.79 9702.02 8021.87 5873.76 8125.03 10001.76 7960.05 8081.03 8184.05 6954.58 7973.76 10180.15 9440.77 10032.11 11427.81 13442.06 6748.01 8437.33 7518.75 7530.24 7459.71 9325.06 11703.16 6572.29 9798.4 10762.78 10701.05 10815.52 3363.61 6570.45 9560.6 9505.09 7651.55 8982.93 9483.24 7798.34 1548.03 7484.29 8226.75 9065.87 9648.86 8750.67 8054.83 8026.06 12082.56 15072.21 15940.64 7612.44 8867.94 11325.76 8826.91 7714.23 10045.58 6646.86 13893.84 9959.69 11173.19 10795.49 9056.54 10527.74 9429.97 6382.44 10514.35 9391.74 8550.86 12355.98 8645.42 13382.75 8953.59 8028.85 7213.22 8229.09 8750.67 7379.72 10863.84 7049.47 6482.44 7529.62 7503.89 7093.3 6550.99 11184.83 7395.08 11347.34 7549.97 10942.71 6276.99 4664.2 9609.12 9908.49 10048.17 10230.13 9903.62 9933.9 10223.53 10265.65 10482.89 Sodium cholate 100801.77 66601.1 202743.08 120679.3 773081.32 577413.96 203748.85 232411.18 129248.45 52108.49 130965.76 40991.29 76762.93 55522.16 120353.35 166627.57 96406.23 88689.44 226171 237881.13 202167.94 32838.36 134432.59 117295.35 176455.81 97144.54 64546.83 85495.87 282220.6 137431.67 70636.11 206487.52 192861.65 390046.18 188824.76 191221.36 169322.62 42359.7 129931.26 68736.87 115307.27 182960.04 286094.85 47895.13 126278.11 150302.81 182303.1 221684.56 282123.07 326475.69 151340.58 143766.29 255247.88 231849.83 252599.75 202762.38 300772.53 175008.91 187067.56 3462.13 169368.03 68273.69 214574.9 655773.87 199733.45 114904.73 30583.97 73783.13 65296.84 287081.8 92329.18 219948.81 132073.29 181099.04 145962.87 19896.93 7174.1 27026.7 39708.6 36796.59 24258.51 20986.7 21877.14 24508.36 41621.59 17127.88 10333.96 33932.52 12500.63 11338.18 10363.88 31850.92 46086.36 23394.13 15287.78 18099.0 28227.75 15860.52 18119.39 22611.17 206740.48 207366.54 198236.76 204073.74 205086.91 190178.57 187126.07 248081.61 193112.97 Tranilast 13166.04 14062.74 4355.98 8125.51 1815.73 1636.61 516.15 23149.34 24820.56 15613.53 14177.67 24450.12 3159.36 15920.68 19370.06 17634.58 8989.23 37036.97 21592.76 47607.36 17810.99 2161.09 10242.07 8874.92 17062.67 20395.54 6561.44 10811.82 27522.41 10601 51394 32752.29 15222.39 5370.52 9479.1 28244.66 17822.31 7476.52 10373.34 10168.74 38208.62 25646.34 13245.8 13302.51 43714.63 11190.06 34092.69 14979.08 14315.48 25940.32 10435.48 15447.31 15378.15 9122.47 11520.95 18453.6 6412.52 6550.22 16282.37 1016.53 9031.23 5049.18 11961.71 12330.14 2110.64 23719.05 24417.66 13233.34 14118.13 16711.31 19373.8 14815.2 11163.3 9981.99 9290.57 16930.99 16914.53 17323.9 17308.02 17304.46 16902.22 16904.16 18029.79 17311.96 1,10-Phenanthroline monohydrate 829.91 2154.5 778.3 460.02 1887.72 2347.59 2441.43 1322.38 3514.84 2263.23 1134.33 887.32 408.85 804.49 3171.01 1071.18 1443.85 1932.68 1658.62 2260.71 1083.74 1415.63 432.59 839.62 2192.38 3842.58 1630.05 838.03 1662.45 637.85 1150.6 2642.85 697.07 490.25 1444.87 2819.46 2703.53 2969.44 1243.02 1506 2012.05 3109.9 1232.32 1057.57 3052.45 1096.91 2412.86 1341.85 1113.22 2499.61 605.89 690.04 1353.09 621.58 2000.89 3226.28 1004.24 976.88 921.87 1845.71 441.93 898.52 2242.29 1806.01 1006.44 2835.11 3670.52 614.95 1790.31 3205.07 2713.17 2008.53 1366.99 532.2 1679.14 2692.83 2428.72 2440.48 2437.83 1867.84 2397.4 2403.02 2294.78 2305.07 Methacholine chloride 8211.41 40512.24 130654.29 30712.78 45203.37 101146.32 52850.12 25459.8 70993.32 5670.02 12863.79 9711.99 11494.5 9588.8 66573.59 20504.77 24358.06 18715.63 22783.51 74274.84 31931.98 44442.18 31386.4 58333.65 13268.77 16696.38 8097.6 4825.8 24775.95 4859.39 6668.73 6994.42 55271.52 27892.47 32032.37 9286.22 16077.6 139030.99 7507.12 14137.72 10843.54 6544.43 79337.49 23924.04 11532.84 10731.83 22129.85 40470.29 9285.86 14952.18 8028.39 36805.69 28402.6 26995.13 26847.6 31615.84 93001.32 63239.73 20036.97 111647.28 45725.75 11905.12 80946.78 59576.37 72891.72 17360.46 22956.12 11941.15 8737.65 28205.44 32116.6 98477.92 12223.72 98899.67 52842.25 36404.99 36916.2 35697.14 36952.88 36964.93 36534.65 36736.2 37070.52 36939.22 (4S,5Z,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester 6686.8 17167.18 11069.44 9172.51 1172.5 980.42 13732.77 14742.31 20537.93 16334.17 13590.16 13854.69 12768.68 599.31 11937.18 2153.46 564.77 33417.7 12914.85 33406.89 11615.21 7648.3 10187.04 11978.97 20130.75 15710.45 14055.68 14875.81 13024.01 9458.45 19536.34 19262.45 1227 12602.11 10524.55 14760.85 11552.59 15403.28 12720.89 16429.66 11488.43 12159.66 13776.77 13928.27 12287.49 16019.87 11792.66 13891.44 14924.68 13641.81 15845.31 13960.78 12479.93 13687.32 17469.67 14787.97 7478.96 9451.45 11957.71 10166.6 12786.36 11290.44 13238.5 18038.13 10127.12 19326.91 11806.41 13688.44 13094.52 16861.75 10518.34 13361.67 11908.2 12950.35 13766.37 7115.32 7109.39 7938.95 7981.85 7929.11 9051.2 11696.72 7955.67 8784.54 6956.91 7976.59 6824.1 7271.8 6793.21 7377.96 10449.09 9408.34 8910.97 8418.16 8001.71 9252.33 8168.9 8078.75 12522.02 6184.4 13794.6 13524.45 14457.33 13302.35 13290.08 11090 13861.43 13327.63 14638.04 Ethyl eburnamenine-14-carboxylate 7312.04 6801.61 8061.8 181798.64 260698.89 336808.04 474932.02 7905.52 19207.07 13485.7 6090.88 6622.44 96641.2 18771.1 29788.25 45857.76 6616.37 23260.52 10458.55 10626.86 16850.95 9814.36 158.44 6806.66 16048.61 10332.72 18684.15 4810.26 13928.69 4812.06 163.65 11632.9 7667.26 23389.86 1155.12 824.61 369.53 19019.45 8572.38 4965.5 185613.5 14178.97 1041.84 1439.91 1027.76 132423.68 194.26 237.51 983.24 15026.2 22669.39 1646.26 6605.11 16711.16 34029.85 491.44 15784.77 644.54 5168.53 28391.33 4062.32 23972.75 6504.99 4558.21 379.09 18046.7 714.16 1347.28 363.52 13786.11 217.88 1513.2 2216.22 2564.23 17288.86 2814.24 6945.36 3271.07 3444.59 3407.35 3506.66 3587.55 3450.99 3575.57 3450.87 4175.52 3267.74 2674.3 3202.0 3090.02 4522.61 3406.02 3167.09 2879.39 3440.69 3585.28 2901.9 3422.61 3510.0 3187.51 73999.38 73238.42 73534.09 73284.73 73331.73 73486.44 72511.37 73234.26 73235.43 Eliglustat 5866.96 4310.77 455.92 1248.91 1661.16 17788.14 3564.92 10527.68 8859.54 5896.25 3417.98 5471.28 2436.81 881.2 6633.83 4877.23 569.86 10795.8 7737.02 15245.37 11653.89 6366.74 2527.5 474.69 11198.09 9090.44 849.59 5241.29 14669.76 11152.57 11967.41 24920.32 12087.02 1317.88 696.81 12223.41 5784.69 3702.2 1004.63 926.18 3272.81 3651.76 3283.74 1187.12 5259.91 1548.31 9214.4 7004.23 8355.16 8702.4 1907.42 3562.04 2688.12 1416.49 4522.44 1786.76 552.52 903.41 15225.3 2149.82 1957.19 483.46 1172.89 3774.89 3263 4584.79 5634.12 3324.64 3895.51 11353.77 8012.57 923.09 3551.85 1068.82 2289.8 5733.15 5586.62 5788.84 6498.91 6137.54 6070.94 5878.98 6058.01 5218.18 Scriptaid 2821.39 3865.76 4057.12 3211.73 2264.87 10071.7 18805.16 5062.5 4994.79 4934.83 2870.62 2902.66 3711.16 4193.97 4774.03 3610.41 4314.85 4285.98 4802.37 4087.74 4740.17 4432.17 3052.72 4063.6 5447.41 3702 3616.6 4563.36 3995.02 4725.98 3842.02 3450.54 4358.09 5328.63 6162.06 3183.3 4240.95 3746.17 6164.38 4671.16 3109.77 5742.21 4154.12 4305.16 4698.58 2474.25 5698.86 5007.25 1406.16 3416.19 16380.01 4508.62 4084.79 5036.17 6087.67 4376.09 4459.33 4836.72 5321.94 23404.22 4302.3 4063.21 6939.12 4959.95 5263.23 5474.83 5207.04 4964.32 4007.65 4242.67 3795.86 5428.8 5403.05 3883.57 3827.18 8691.11 12023.45 7633.85 9192.32 10158.7 6220.6 7360.2 8829.61 10151.82 5706.91 4722.3 5450.07 5798.91 8376.04 5286.0 9107.09 7267.78 7251.2 15989.52 6842.11 10762.29 11613.81 13842.41 9746.16 12036.6 5306.68 5753.99 5355.18 5414.76 5131.72 5096.42 5264.92 5268.12 5469.93 Diphenylpyraline hydrochloride 7903.68 4176.89 758.16 1077.06 15419.98 22695.03 1273.14 7789.44 5592.93 7080.39 2902.64 9331.98 4101.39 5136.69 13281.38 8743.55 2060.16 13186.85 12507.64 15280.25 11237.25 7486.48 2670.23 3701.43 7920.48 4876.54 1709.85 1780.53 14255.48 4632.49 15944.34 23578.18 11108.07 2307.18 1412.8 5334.99 3626.91 3572.18 868.38 960.13 6068.95 14997.08 3832.58 1223.46 7266.21 2373.59 4259.93 4031.09 3741.5 8604.44 5175.45 2370.58 3218.1 4678.44 5860.83 5407.23 2137.02 2419.25 12135.19 1423.31 704.36 1483.05 5021.88 4248.77 1635.98 3658 2729.84 669.21 795.28 8239.78 2314.03 2725.35 3600.49 542.07 928.12 8839.64 8839.56 9273.09 8768.09 8702.19 9239.88 9756.91 9271.19 8725.72 Pyrilamine maleate 3973.89 4227.17 4373.15 3200.35 6552.38 4704.32 4577.5 4737.58 4224.39 1559.13 3192.4 4199.63 5864.07 5042.75 4691.58 5181.94 3090.11 5113.15 7770.76 8509.49 5940.15 4427.66 2940.44 3036.95 4474.05 4359.98 2411.45 3075.88 6232.74 1964.02 5736.87 7205.58 3087.55 3670.37 3415.99 4709.69 3689.27 3720.05 2725.22 2584.1 8578.06 5821.57 3834.36 2473.74 6294.41 6649.99 5044.32 4369.36 3587.73 6952.06 4634.93 5800.27 4091.1 6175.28 3180.7 4570.25 2648.09 1285.6 5216.64 2422.21 2195.91 1657.91 3179.03 3029.78 2397.42 7305.45 5537.84 2785.38 3003.72 3773.94 4047.98 3288.61 1877.59 3538.24 5428.35 4223 4264.43 4165.96 4112.31 4232.4 4109.89 4152.5 3416.58 4232.28 Difloxacin hydrochloride 6314.83 5432.46 1900.1 776.44 6058.42 8204.41 12887.91 15961.59 15736.51 10171.11 18974.08 13681.74 35247.68 10829.67 1329.1 14217.89 5074.87 4572.79 1166.39 8424.28 7252.11 1817.2 678.07 18363.43 8839.55 7582.97 24646.34 23028.07 3129.15 18404 4986.99 24948.91 2417.78 5580.48 4169.22 9841.97 7366.34 4837.83 19773.04 4177.99 13404.68 4065.74 3633.81 6293.31 27815.09 33182.66 9019.35 7525.87 17213.48 11336.49 12811.13 8693.48 15714.57 18132.78 8178.63 7868.65 1342.24 1040.36 8750.08 3035.15 9373.3 2438.49 2094.4 2201.91 2039.47 14140.7 13465.65 20261.33 14351.12 6139.02 4360.83 690.44 6693.48 2873.34 4572.27 7181.97 11328.52 8276.67 9488.08 9212.07 8220.28 8490.77 9413.26 9658.32 15(S)-HPETE 1753 1180.95 1582.4 448.8 726.85 3804.4 379.22 6589.34 4476.04 1296.14 846.8 5052.81 2443.48 503.86 2403.23 2281.3 473.73 408.44 1342.02 1746.12 11322.38 511.1 330.13 994.73 10022.46 22625.64 725.45 675.17 674.06 674.07 1607.2 1364.89 302.81 485.56 724.48 9154.39 6073.75 5260.02 1487.02 775.2 2473.36 5327.27 561.34 549.65 4642.93 504.65 5159.55 5815.69 350.8 1634.63 11002.18 5781.27 542.42 2591.5 8072.29 3905.01 572.63 581.88 9799.84 2224.94 693.73 801.84 6029.74 914.23 515.55 7974.72 2790.13 338.75 799.16 13225.17 2150.9 1762.42 1510.57 388.43 422.72 3160.75 3169.52 2432.69 3167.38 3013.61 3037.46 3145.41 3166.88 3087.42 Xanthinol niacinate 8214.02 8018.13 1138.95 4344.11 3709.91 5382.87 3782.16 8161.9 9667.08 6685.11 2865.75 6597.21 5873.17 5794.37 10205.35 12777.19 798.3 8774.57 16832.6 19059.57 8566.07 55529.38 8638.68 9665.61 2876.48 9543.8 1878.26 789.68 11891.55 5670.9 12840.93 6876.34 5519.69 8775.89 8001.15 7088.63 7667.5 9298.02 6851.03 6252.26 10262.27 15314.12 7706.73 5856.2 11017.69 6459.42 13701.97 9700.98 6714.12 13422.7 8501.53 9138.49 5557.07 6928.63 5116.35 7487.76 3699.14 4812.59 8697.26 12016.68 4864.65 3571.61 4686.77 9335.65 4545.67 10827.83 11864.57 2566.41 7119.67 7354.45 10912.89 8459.67 10699.55 8300.96 6064.54 9098.07 8781.1 8231.81 8682.46 8829.73 8650.76 8931.78 9832.93 8958.37 Val-Val-Val 5659.7 2240.52 3708.19 6312.83 8488.12 6173.58 1926.07 13144.4 13976.44 4502.7 4975.5 10708.18 7419.85 3366.7 14385.92 9144.45 6090.63 12946.97 7574.38 9287.42 3986.33 2077.72 6355.17 3211.43 4190.88 11592.81 1182.12 3735.5 8313.27 2971.52 2848.81 17232.28 9016.52 7170.91 9788.11 8619.74 8601.09 2620.15 3592.3 7111.12 14705.2 3091.23 8767.3 1182.18 6038.07 5552.26 6404.95 3635.44 3239.43 2877.45 10725.19 2468.97 5196.05 8869.38 11951.66 3527.11 2592.35 6529.63 11080.4 5581.06 1984.95 5331.68 8805.66 10150.44 8943.01 5390.01 7502.22 1033.31 2402.77 27281.56 7383.66 2532.61 6745.58 10046.64 6213.39 6970.7 6796.6 7072.92 6879.58 7060.24 7193.83 6808.43 6753.24 6755.83 Met-pro 16426.61 55441.81 66581.73 64598.69 52606.72 37912.03 31940.01 57176.57 85728.94 42206.86 49941.09 36053.7 22577.44 2563.65 54610 80674.33 60708.11 11221.79 41747.63 66470.98 124633.55 4252.36 50745.81 74110.94 32135.32 9021.85 76984.49 107318.09 31849.06 51882.47 52290.45 41371.31 34187.26 66354.02 81759.7 7648.44 63735.1 89534.53 95588.11 57616.86 12115.37 12853.04 82292.59 70039.26 8433.34 4933.27 18570.16 49586.6 87881.27 42172.84 80532.99 3074.24 61731.22 123769.11 35668.47 41174.72 78815.98 65969.54 4227.08 57466.79 63288.64 68616.14 58420.63 61627.97 85252.03 7444.26 38980.2 51592.4 47532.18 56598.05 5879.04 59753.31 72222.32 5559.98 55152.02 49203.4 52778.18 53643.88 42031.23 48214.54 52235.98 48863.89 61873.3 54213.06 Leu-Asn 10966.15 17113.54 12408.7 8354.88 14374.41 8042.46 12753.26 37189.75 22606.9 8360.42 3578.04 13434.65 6659.39 8461.6 20999.95 26744.83 12203.88 13340.93 22471.97 24061.5 7778.82 3452.37 7094.72 11708.91 15091.55 35034.2 7961.86 6302.66 26133.57 6503.25 7717.21 16720.84 12628.68 11404.81 12959.41 3985.3 15869.22 7142.13 8681.52 11140.51 5848.46 12070.59 20282.23 3772.07 11575.08 9454.8 11125.93 12110.56 10909.64 15943.16 14416.93 11103.9 19124.45 22601.96 14252.81 15967.1 8138.31 10081.72 22185 17369.32 7518.45 13316.28 13902.71 14633.33 9174.94 14887.79 5441.79 17007.96 5566.27 15031.64 16044.7 11493.29 14224.88 26708.86 4033.54 13071.32 12161.09 13109.34 7686.84 11843 11461.25 15898.38 12474.4 12233.28 Belinostat 1747.73 1939.05 3336.65 2522.93 665.74 751.2 1307.78 1706.54 2426.5 2798.27 1984.62 1579.62 1020.18 2237.25 1205.17 2442.93 1541.35 1628.25 983.93 2264.49 1881.88 882.41 969.96 1533.7 1161.69 4281.67 2706.9 2998.95 1228.64 1906.53 1578.61 799.3 1343.46 4092.02 3540.69 2818.02 2498.73 1586.46 2791.62 3641.5 3802.17 2759.52 1648.71 1454.14 3301.24 1405.91 2048.45 1694.27 1045.2 1319.17 2088.35 2010.56 2099.09 1819.86 3607.42 3555.62 2651.03 2232.24 2610.45 2221.02 2426.55 2353.78 2153.62 2181.98 3121.9 3192.43 3993.4 2552.51 1840.74 1727.2 2512.6 2466.39 3215.41 2544.61 2550.1 2693.12 2159.01 2190.39 2096.03 2313.25 2296.43 2174.39 2303.42 2230.84 Pefloxacin mesylate dihydrate 13748.14 6910.97 3112.45 1978.19 20312.67 9787.46 8579.12 10207.1 12785.23 9324.58 4080.55 15148.19 2111.35 14711.35 8678.11 13133.65 4371.5 14962.61 20715.32 30204.35 12447.65 9420.92 2574.65 7020.61 5949.86 4569.54 3550.45 8145.19 23203.18 2908.34 25110.37 26213.11 7461.9 5544.49 4906.57 14807.97 4232.91 4864.22 6953.55 3458.5 28279.08 2840.51 3936.35 6580.87 23235.76 17651.12 26418.59 11395.09 14283.9 14628.38 10752.91 3936.54 7202.03 10788.34 6664.38 2817.8 1963.76 2470.14 8081.74 1502.82 7833.01 1071.16 6303.57 1447.71 2202.02 10945.89 14184.27 4172.26 7450.41 4165.91 6530.84 5261.2 5869.36 5363.45 9327.88 11599.98 11310.74 11330.27 12195.76 11182.83 11628.56 11596.1 11186.08 11491.52 Lisinopril dihydrate 3046.25 2339.66 935.95 1413.34 3921.44 2004.04 1724.48 3952.16 2073.51 2564.27 586.18 2769.57 794.85 1935.1 991.45 2640.89 1107.37 2913.4 8791.49 16190 4265.31 9485.72 1425.61 1232.61 891.48 1963.88 1488.93 768.93 3173.97 4447.73 5445.73 5282.74 460.5 2309.44 1236.79 1385.65 1970.34 1322.87 2681.36 1313.71 2187.89 6952.11 1400.09 1686.33 3996.69 549.25 3233.9 2463.16 5229.34 5877.75 3089.82 1953.3 1880.16 672.74 2148.92 1219.14 1170.59 522.93 5232.57 732.29 1375.55 736.72 2357.31 492.15 2143.97 1901.52 3131.05 919.27 1276.36 2797.5 3748.31 516.63 2137.77 1722.3 1727.24 2381.02 2493.84 2532.44 2612.34 2748 2466.72 2738.63 1756.57 3193.96 Diphenidol hydrochloride 1673.76 2002.88 3516.17 665.96 4443.15 3817.35 5823.92 1531.14 1414.42 4146.69 4501.06 1228.54 805.31 994.41 5486.53 33103.71 17108.43 2899.59 1338.59 2793.8 3297 2904.84 595.06 1407.21 1450.53 3964.2 2591.02 2154.44 1622.18 437.85 4517.65 1846.15 4893.16 2872.65 4299.3 2689.49 1743.44 3566.95 1262.77 3540.14 3447.17 2431.57 2764.89 2479.15 3338.79 3257.61 5195.21 2429.67 1493.41 1905.67 7314.57 2951.53 3635.43 7528.91 4091.08 3214.92 3965.71 1061.57 4924.82 2170.4 5196.84 582.34 3471.24 2089.74 2195.44 4185.37 3175.14 3100.83 959.46 2156.02 1829.98 3024.03 1758.75 2601.2 1408.04 4017.6 4119.49 4132.07 4034.26 3961.51 4130.71 4013.13 4135.53 4170.63 9,10-DHOME 90790.27 128000.99 276120.97 247624.85 6070.41 308503.81 4363.7 85850.3 53258.71 91036.63 60746.15 138941.52 260711.96 200865.56 92488.69 221190.73 279182.56 68511.5 126773.77 55344.87 83425.08 184237.6 203418.87 212036.78 48728.45 39102.33 48937.92 63079.93 131422.53 73464.82 64954.73 126848.64 67942.19 96037.8 108087 66912.08 59040.55 104476.71 106862.15 61542.97 83320.06 67202.87 88652.8 232426.11 97719.19 153537.11 48088.38 127871.77 58941.23 197306.4 78412.92 122291.73 72467.34 119438.86 84742.78 140755.34 364132.32 88085.87 44429.69 121048.82 215595.17 203266.69 83411.09 119202.65 47025.13 137347.69 138746.76 132530.1 121170.14 57315.28 57404.16 60180.04 70824.75 105416.76 195540.04 6184.72 7928.9 14222.9 19659.32 10279.15 25324.68 21738.81 18209.21 16342.95 15056.1 18269.99 14256.24 22138.33 12160.32 13996.66 10449.71 16200.42 9039.33 7126.29 8308.47 13229.17 13289.03 17673.3 10122.5 11674.74 123682.41 123651.14 128070.54 123661.8 122648.18 122003.96 123519.59 122460.83 122873.27 (Z)-5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid 6112.79 80.58 1449.17 84096.12 130952.28 210172.11 167696.17 4098.41 127.49 986.1 589.16 3868.76 54942 2609.67 1009.87 13542.53 6218.65 708.03 1100.65 720.98 347.03 441.28 137.37 163.43 3539.09 1181.33 10076.99 4774.48 124.89 4116.64 170.26 7117.37 255.36 15949.83 3748.04 1301.15 750.3 6345.96 1549.49 4249.22 81520.59 17732.89 584.41 1132.74 462.89 121601.52 426.74 357.54 584.15 7037.42 14175.21 3403.35 4053.78 12768.94 29377.43 806.47 476.11 578.55 6027.1 13197.43 260.94 7997.79 5062.17 3206.36 91.97 9250.35 689.85 978.19 1140.44 354.94 744.44 853.73 217.14 3861.98 18055.01 35646.92 35497.46 35646.7 35449.8 36191.7 35468.41 35208.83 35649.84 35427.89 Ophthalmic acid 139201.23 135022.15 65968.56 56556.21 145904.32 68697.63 51154.72 142657.05 169801.24 86446.32 62283.6 77554.7 53999.38 75649.97 135070.33 93066.95 57312.85 119662.04 104990.58 188268.31 203027.11 34835.99 59986.82 88484.17 170868.59 177377.02 90564.2 93550.76 152713.52 53220.39 173099.16 121365.59 91666.52 93335.95 84861.23 121447.58 152671.54 116535.44 80224.41 55548.01 126762.69 193449.15 80471.95 60922.85 122212.1 68261.5 132250.27 92015.5 71113.78 118283.22 115793.17 139754.88 76634.23 71839.69 73298.32 104809.85 44965.36 44672.46 126609.61 29484.25 55293.77 49977.68 96443 65706.82 72645.84 108991.12 189754.22 60708.9 72145.43 155673.72 108746.56 101517.31 62445.7 57755.46 54960.55 91569.97 99221.66 97758.97 98299.1 99135.7 97863.53 99180.43 98397.51 99173.94 Thr-Met 18141.3 9285.46 1406.26 2146.34 11224.16 9421.83 5304.7 21522.23 19636 6036.58 6078.13 10019.62 5900.6 7834.17 11228.93 8558.14 6456.8 12370.56 12344.68 13871.49 14028.43 5359.25 5318.21 4827.64 16855.48 14534.26 9124.33 10766.34 21624.17 10247.63 19177.23 12798.18 9569.27 6024.16 4927.99 18157.97 13165.73 7575.13 7771.29 8183.51 17071.84 22444.74 5502.01 5786.7 18796.59 7661.84 17820.36 9241.02 16923.99 15312.73 12016.49 6806.38 4430.74 6225.15 11916.03 7571.73 3314.92 3165.35 10962.59 4268.44 3458.25 4450.02 6488.73 5618.86 5151.49 14283.68 9762.36 9774.14 11095.02 13396.85 15705.27 11161.23 9210.67 6438.16 6742.63 11693.6 11451.19 11452.58 11066.18 11321.57 11454.89 11453.1 11455.23 11355.35 (1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol 115724.43 176297.32 157101.86 259887.31 271710.9 667221.16 319447.72 115165.93 145276.74 131702.72 134316.94 171550.16 180682.92 285430.11 175338.76 267164.49 211256.72 203996.15 353349.6 205535.8 178853.7 168109.7 136715.62 270433.13 111753.07 300270.02 117062.97 93550.38 254963.43 103181.23 209331.51 438829.11 122469.56 263102.5 257863.36 134842.77 136231.94 205325.38 110756.66 271214.82 247624.16 165917.77 244133.63 236123.44 233973.23 212828.91 176833.79 396361.53 237419.42 713298.79 102970.39 272160.65 155320.93 279367.46 112196.9 329337.59 158264.48 179280.96 156721.14 290305.41 135676.62 122930.81 161957.78 195189.14 170442.39 163956.17 282974.99 117818.57 281306.43 170363.09 159807.32 233667.56 201365.26 303212.92 238745.66 227952.25 231922.2 228373.16 218938.59 223825.13 227995.47 223676.4 225195.25 226978.98 5-Hydroxy-7-methoxy-2-phenylchroman-4-one 6342.61 5036.66 3574.67 9126.01 3033.69 12456.92 9454.14 4994.11 7350.33 10701.52 4276.82 4454.08 7879 5043.46 3127.8 7538.6 6472.34 5471.04 8149.68 3626.28 4013.17 6701.79 11400.67 6300.55 6577.79 4606.71 8010.69 1435.39 6338.61 3929.43 8384.12 9480.64 6290.96 7134.97 5425.11 8196.8 7370.49 7800.82 3938.36 4084.61 7237.49 6032.28 6573.45 7820.62 5054.59 7184.64 8059.69 3499.91 3493.67 6513.98 9058.99 9106.98 8025.66 8567.98 8100.11 3434.24 5113.22 5129.17 3958.75 5657.07 6300.33 8341.51 4703.42 7925.03 3766.06 8275.61 6519.2 4271.44 4730.3 4996.69 5721.93 6628.36 4188.05 6556 8310.92 6088.59 7228.47 7310.75 7571.57 6786.46 7250.93 6925.09 6959.55 7002.45 9-OxoOTrE 3453.56 474.32 473.41 71959.34 120452.67 158173.08 197169.96 2923.78 828.67 534.14 291.82 3092.86 41711.31 7185.65 666.36 9904.12 3331.64 415.22 541.82 250.79 1943.72 825.08 415.73 1258.62 2285.04 87.19 2616.75 2414.98 2679.69 2437.57 784.25 4720.37 468.31 10205.29 2130.46 479.96 1706.92 8437.31 3956.3 2460.99 78060.63 8153.64 845.01 514.29 243.48 57116.22 966.78 772.18 467.49 3451.77 10183.71 2925.61 2934.06 7154.68 15061.27 919.28 1492.6 84.74 2279.99 9982.9 387.18 10186.63 3517.74 2286.81 141.84 7776.86 1011.79 619.86 259.18 824.85 224.21 4462.44 633.69 2782.1 7726.97 29866.37 30097.88 29733.85 29663.98 29732.25 29734.05 29783.78 29731.01 29868.1 N-cis-octadec-9Z-enoyl-L-Homoserine lactone 37979.03 32304.68 74911.81 18997.22 18666.04 18586.01 2206.1 20267.78 20191.96 38290.91 13836.95 10750.47 7783.33 14928.35 18847.04 15368.49 19520.36 16612.5 14864.03 14759.66 15123.69 14488.7 18357.86 27969.28 46910.66 35417.04 40889.78 35738.35 17668.89 33255.04 13222.78 16217.77 22654.7 28984.94 30179.17 28785.87 33265.73 53911.76 47164.01 67257.65 11852.26 10978.18 18543.31 29157.59 10770.55 4338.05 13642.9 17456.59 15310.58 11286.48 15823.85 15032.78 21012.73 12497.08 17911.02 42012.6 21209.08 22823.71 28587.88 18952.02 33158.9 54418.19 28851.6 24435.21 26405.58 19672.16 11385.44 26941.57 23420.96 20219.09 22687.12 50802.3 23597.28 16093.51 16812.52 2205.24 2698.8 4387.87 2839.11 2759.29 2847.85 2693.05 1966.21 1212.98 3583.05 3610.63 2182.37 2035.12 2120.7 2536.67 2765.1 2383.33 4145.31 3519.15 3097.38 2290.21 2401.18 2093.7 2492.81 4242.24 15036.7 15097.67 15213.51 14422.89 14925.97 15037.51 14972.51 14925.67 14921.47 Saucernetin 20683.06 11669.46 6290.15 3527.47 16031.8 12402.43 20582.77 24224.71 26246.32 22784.86 15165.42 34957.05 24579.63 7454.36 27223.68 21273.85 8687.38 18281.94 18424.37 25373.68 22191.32 13503.87 14634.39 23452.57 29898.01 25911.75 3953.28 25297.76 24440.82 24831.3 23898.04 27349.84 12236.2 28450.4 17721.88 18207.2 24495.44 3989.36 16174.02 16455.65 41310.26 44190.13 21597.45 11917.46 32393.29 21379.63 19518.33 25288.2 16344.95 24006.85 32125.34 18046.6 24326.99 22535.95 13980.25 14524.23 12056.92 4409.75 23576.8 902.65 11073.03 15663.95 11701.67 18716 16390.21 30554.22 23513.84 14483.91 12926.56 24539.76 18663.73 20638.72 13720.95 10755.14 21609.91 21707.34 22952.28 21900.85 21898.18 22000.53 22675.07 21896.18 22880.76 22448.65 methyl (12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate 126729.91 77527.83 8743.17 50399.49 402445.95 100753.19 120510.08 132429.85 58474.26 42111.14 22611.42 32168.94 64059.44 37890.89 114303.46 31394.15 26663.18 85947.8 49751.87 34295.75 59862.24 42699.39 12049.17 49452.5 177140.65 83855.5 66919.1 40126.2 70794.71 13027.04 58953.7 58356.99 26355.64 10868.84 51182.48 167450.06 83071.86 10111.58 10303.73 38459.62 101310.49 230593.89 32413.36 39405.83 47690.04 60985.06 175168.41 50762.46 6971.25 30980.49 47431.78 26284.94 14264.47 30996.24 170731.04 81481.92 11762.42 13731.22 128481.22 48814.38 24920.63 24467.1 59154.16 21048.94 19126.22 110193.03 29807.42 50429.27 83653.53 145242.21 55962.27 64668.62 17049.37 20842 41295.14 75765.23 75742.36 74735.33 75130.42 75740.21 76358.72 77055.38 75735.77 78497.39 Thiophen-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate 5208.95 62.62 1674.88 124734.01 279410.38 124584.27 316914.52 5977.4 164.88 201.17 1004.19 3634.28 52633.83 135.98 1659.02 38158.51 6886.12 763.4 1282.99 70.07 2360.56 953.95 215.32 1816.49 3065.79 918.44 11870.53 1212.49 2029.67 2737.56 505.32 6646.88 424.63 7281.49 3650.67 753.23 1194.75 2685.76 1644.75 3208.27 140290.79 18317.88 1651.34 1647.94 1111.95 51830.52 847.92 317.2 208.79 3672.57 5457.97 576.58 3447.85 14816.67 50746.99 851.74 11353.85 1370.88 5946.62 36327.79 3843.26 12225.37 6645.96 3921.97 1218.56 17092.66 423.31 935.78 2126.45 959.36 145.07 2742.66 1328.67 5158.63 12518.23 50538.69 50778.67 51412.72 50767.28 50538.28 50329.74 50784.04 50286.29 50346.1 3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one 7003.88 14214.88 8008.94 10588.18 14505.83 5817.95 966.18 5908.56 14149.05 9749.63 5699.13 10879.39 16469.5 10845.88 19576.84 33995.51 25340.58 9629.55 28279.03 15309.32 11043.11 8400.61 1016.47 8920.92 8723.2 14613.49 13581.75 5188.43 8298.84 3026.7 10613.45 18670.64 6714.5 5239 10795.39 8364.56 3100.6 5990.34 1871.01 12377.19 13298.92 14801.4 8294.36 8297.14 6638.13 3329.19 12661.88 15196.99 1753.25 30714.01 925.19 7845.71 2869.55 13611.96 10803.47 20805.16 15740.38 13712.69 10098.77 8516.57 15953.27 6809.5 11704.31 10430.7 8096.29 13020.55 16639.66 3653.42 18381.66 12447.38 9409.44 11363.28 8998.38 19096.7 13758.34 12969.72 13160.84 12994.48 10835.92 13361.37 13643.7 13334.37 12892.36 13724.61 Avocadyne 1-acetate 5661.95 7783.34 4971.99 33332.93 370662.09 140908.99 144116.81 13067.73 3749.92 3586.89 407.69 828.86 18090.15 3617.53 310.92 17884.35 5706.52 3254.41 12618.86 4982.32 4707.85 6446.59 383.65 8768.31 4667.54 3700.51 4006.2 4169.75 8355.48 2881.11 6449.25 48215.92 2458.33 3382.62 4676.5 3511.18 6239.98 5961.1 4800.84 5684.01 63324.03 21557.94 5110.7 4745.32 8193.1 27421.14 5471.92 5620.75 464.51 8872.77 3773.44 7433.68 3060.6 4701.27 28253.86 8677.88 11839.97 6732.8 5355.83 12475.05 16151.26 3062.5 639.04 7746.43 4906.19 11528.6 4643.06 3661.23 8758.84 9968.62 4279.67 5632.8 4026.78 12979.9 15052.79 31705.21 32225.51 31942.42 31365.91 31726.69 31892.38 31816.22 31317.35 31122.8 Tert-butyl 4-((3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)methoxy)piperidine-1-carboxylate 1726.97 526.49 1154.05 706.22 7382.67 1703.37 1614.57 2418.12 3426.43 796.98 937.11 1603.63 3898.73 1218.27 1483.63 1002.72 519.17 1117.66 932.25 18290.13 1392.54 573.39 821.3 691.38 791.43 1170.76 635.85 855.88 2209.89 2962.77 4502.56 4615.09 490.91 1149.2 1274.84 1859.99 343.49 1346.95 1205.33 536.64 3179.02 4293.28 1365.52 1188 2915.1 2411.72 1731.4 2177.41 1344 5722.51 1554.75 1015.37 572.48 2230.78 755.77 823.75 889.41 526.81 776.88 1102.67 637.37 416.35 929.07 430.12 1082.79 1006.3 1485.81 1434.57 1461.01 966.98 886.69 1202.52 1533.11 1401.13 1058.31 4540.22 3776.32 3741.92 4298.07 3206.92 3466.7 3561.14 3159.63 3166.34 3399.48 2773.93 3043.7 2853.96 2400.05 2849.34 3306.91 2514.01 2387.12 2486.75 2879.39 2559.1 2687.99 2668.57 2064.97 1563.67 1964.58 2022.54 2187.13 1979.28 2025.21 1962.3 1905.97 1956 1983.41 H-Leu-val-OH 5595.53 13899.72 886.49 7644.78 39258.55 3169.99 10557.25 54894.77 78484.52 23895.49 9723.94 3438.67 14906.66 11106.26 40934.11 17576.49 6272.86 9442.22 9889.49 17105.06 18502.18 12700.59 3530.3 2694.9 48036.95 33136.29 31653.96 10648.84 38334.42 14141.86 8739.29 5212.26 36810.2 9236.44 15111.04 27238.74 27814.61 3446.57 5104.84 30137.68 4589.41 7237.06 54561.91 4356.47 14866.18 9198.36 17665.33 5004.46 20014.01 10367.97 24602.68 637.61 16734.56 35355.16 24517.26 10966.58 16481.39 4944.01 22885.78 2706.64 4461.4 9827.37 33508.58 19587.23 25103.18 23270.79 10798.83 4471.9 6571.53 35965.85 47952.28 7910.5 9926.44 21577.79 3723.38 5572.09 7700.59 5468.21 4733.81 6062.49 5674.95 6160.33 5316.47 6998.66 5088.48 6662.56 7854.19 5070.77 5236.89 5413.11 5877.26 5959.78 8186.92 6650.69 4543.63 5571.09 6162.33 7083.16 8526.19 4494.27 18610.16 18306.29 18621.04 18695.94 19372.32 18309.35 18612.9 17997.28 18300.29 Methyl alpha-eleostearate 120754.83 135092.5 167430.46 219160.4 329817.41 236937.35 267003.08 256583.51 411974.13 130487.35 127813.49 268610.06 232191.47 601319.72 745717.82 292891.23 404261.31 591177.78 222520.93 224670.98 353280.12 138840.68 90882.85 146394.41 279300.87 176464.23 131755.45 158933.88 212708.66 397530.57 731436.61 336949.93 144883.27 145307.2 268440.43 190230.57 191717.7 112613.31 71864.35 258438.98 257287.82 585307.65 212480.39 191749.26 277837.29 186619.11 233411.05 452028.94 131924.43 589466.98 185490.99 490399.58 212211.01 301937.05 505966 303375.44 379392.73 403555.31 146481.39 334134.46 224334.35 95329.32 435851.46 295773.13 312136.25 392787.25 561895.99 325216.87 425708.83 181305.34 298047.59 251366 326412.91 296250.39 339498.81 401857.91 402476.01 407606.5 357553.68 406612.48 410734.49 410750.17 403427.92 403201.01 3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione 16599.07 33720.05 6676.48 19813.76 9379.65 27981.14 31385.19 14980.58 14432.46 17634.42 12136.37 22508.63 30947.31 31914.26 11690.97 14021.23 20565.3 11405.52 26046.53 18676.67 8397.46 1740.86 23469.42 21013.77 12412.17 15609.05 21956.6 22458.93 21295.17 3862.2 13961.23 41145 4912.18 28104.99 24145.11 30405.46 19902.34 22914.63 24198.11 20024.01 15278.31 43233.71 24640.21 36423.81 30227.65 29565.77 22046.75 26185.59 25706.51 35410.31 30684.88 38341.26 32315.3 38213.98 15378.23 32844.12 16919.37 14077.8 20059.5 17996.5 25547.54 19388.27 24003.35 11536.69 13244.53 23666.62 12209.56 21616.98 24655.33 35833.3 13353.51 26449.82 15152.66 19300.64 18054.27 21015.21 19274.32 17786.68 20066.12 19561.46 19309.26 20006.81 20028.51 19912.39 (3aR,4R,5R,6aS)-5-Hydroxy-4-((R)-3-hydroxy-5-phenylpentyl)hexahydro-2H-cyclopenta[b]furan-2-one 5509.64 5252 5469.95 4683.14 6415.16 2154.6 12684.19 12788.36 8277.41 7574.68 10294.76 6007.95 6640.03 7274.4 5376.15 3910.4 10269.32 4128.15 6902.76 4215.68 7590.75 5486.2 4376.89 6575.46 3296.24 6571.98 7708.9 6357.67 5055.15 6306.8 7172.09 7162.94 2346.05 4904.1 6413.77 5343.2 5815.39 6745.72 5872.2 7306.52 5394.22 4090.66 7301.18 7439.43 6316.83 6084.9 5770.35 6538.54 9274.52 3460.11 7905.74 5418.49 7437.05 6499.74 12095.17 5406.63 6382.61 6489.6 2166.63 11805.8 6505.64 5001.46 4712.53 5066.61 6753.63 5815.58 8184.81 7455.01 6470.66 6031.38 5841.99 5027.17 7304.51 5542.33 5445.72 3847.45 6561.91 3453.4 3845.46 3386.75 3468.55 3682.67 3720.33 2657.34 3810.34 3179.56 4287.56 3717.16 3179.07 3623.48 3075.67 2927.08 3951.2 3913.83 2983.67 4001.82 3103.22 3428.0 3142.2 2641.62 3498.58 4516.42 4039.86 4206.84 4064.29 4401.6 4046.24 4970.76 4641.46 12-[(Cyclohexylcarbamoyl)amino]dodecanoic acid 613.57 3103.81 997.9 6473.04 44143.53 7951.58 4363.05 1031.22 652.27 1070.72 785.92 813.31 2954.31 572.66 1861.58 1763.06 1396.5 537.74 304.04 695.25 1878.1 638.61 994.5 1823.19 786.08 1011.24 1500.24 784.53 882.28 768.93 655 866.23 438.77 838.39 998.52 578.01 1368.96 1132.92 927.33 479.4 13336.38 3724.9 832.7 434.86 1248.45 862.74 528.82 820.03 611.67 191.71 205.19 470.63 255.96 285.69 7053.49 3181.92 1318.91 1460.72 1850.75 2916.92 2879.11 917.4 962.77 664.67 851.28 4647.38 737.59 368.76 1018.88 1464.03 272.27 922.6 710.39 1283.49 1276.5 2894.15 1208.11 3076.67 3275.78 2902.38 3039.83 2947.68 2899.42 3379.51 Nvp-aew541 3642.89 961.25 11598.82 946.69 5061.36 3487.32 14231.42 7321.61 13911.38 8682.69 14206.91 2562.95 3770.05 1683.59 4747.21 1606.63 825.23 4635.88 935.98 6114.73 2861.63 4067.85 641.59 570.46 3589.34 2758.92 10867.15 12461.72 1829.63 845.64 19712.86 19800.27 1566.91 8006.93 11366.04 4161.73 6415.23 13765.57 8792.7 12551.07 13795.82 3333.33 11174.59 14092.6 10989.15 9378.89 9990.46 8529.54 7424.1 103247.98 13792.8 13402.36 14364.57 22408.94 6280.24 15708.3 9101.85 11264.22 5394.5 4185.15 11428.07 7963.09 5922.58 15203.57 40075.85 11418.57 101710.65 4631.46 11126.29 1735.92 12517.53 11554.2 13066.19 13714.99 12807.2 9326.71 11524.63 10089.65 9865.51 9558.44 9510.3 10190.75 9466.5 9207.49 13(S)-HpOTrE(gamma) 2218.61 1235.08 2488.92 10068.87 47543.5 53661.22 46692.34 3220.59 2258.6 3120.88 2921.55 1595.37 19660.41 3892.32 906.58 9975.93 5259.79 2675.46 4991.64 1895.92 1348.03 1762.79 428.65 2147 2192.68 3037.7 3100.08 2167.96 891.75 1894.04 5812.51 6130.82 677.79 3845.51 1914.52 2377.26 1819.67 3094.41 3690.84 3503.6 17326.87 3668.04 2549.18 4757.53 3464.84 18912.35 1233.36 2579.9 894.66 5417.78 2057.54 2844.81 1472.83 4153.35 4151.55 6187.79 4336.18 5581.69 264.23 3541.5 2422.43 3139.21 1338.48 2748.08 1724.34 4783.9 3778.53 2792.84 2197.05 4376.26 2676.99 2774.19 621.12 13758.28 5569.2 7259.82 6899.9 7170.28 7918.65 8736.53 7193.41 7646.26 7554.23 7209.24 5-trans U-44069 1248.27 1166.93 4506.01 3626.74 7892.05 3932.04 1385.72 493.46 874.88 905.9 1040.42 1554.94 619.35 1893.15 2720.73 5144.16 6220.91 2303.66 2057.17 403.47 2374.92 400.31 490.72 2208.39 1486.38 1314.56 2859.81 1137.45 494.96 593.77 1141.51 482.19 428.27 1073.08 2749.37 1164.4 2035.22 932.95 425.8 1547.13 1035.39 1206.62 2163.21 1418.49 483.86 2536.09 928.62 1444.75 2451.9 2426.17 1490.5 2035.68 1533.46 4207.44 2121.14 3023.6 674.94 2294.57 1757.1 5132.21 3248.81 1533.9 2517.86 4135.77 1331.18 2758.05 576.51 592.58 2183.21 1439.59 1743.3 848.15 2333.87 1543.73 2060.74 2329.53 2326.03 2421.23 2293.06 2255.23 2144.55 2320.62 2319.55 2273.48 methyl {3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate 10390.41 6917.33 5574.64 5533.42 3755.29 17277.49 3122.8 10315.74 5568.64 6094.62 8875.2 4169.09 4563.03 3793 5789.08 6452.86 4299.52 6711.17 1269.11 6157.89 8306.58 3365.62 4454.71 6450.19 6329.39 9378.47 7894.1 5127.34 4364.57 7086.87 7423.8 6500.79 5144.47 9478.01 5674.99 5964.7 8079.81 10299.67 7077.25 6605.83 4394.71 7257.59 5483.67 5450.77 6986.01 8672.23 5808.91 5519.36 2746.72 3412.22 3786.65 6029.75 5855.81 6074.3 6687.31 6127.71 6447.01 5732.44 3830.68 7924.09 5650.9 3596.94 3495.34 6507.91 5325.2 6647.4 5215.71 3951.87 6845.77 6857.76 7271.38 4440.12 4871.03 6629.56 6791.5 3081.37 4937.05 2328.28 4434.94 3183.77 2570.04 2672.75 2128.56 2606.14 2495.12 1845.87 2717.68 2642.11 2612.38 2383.84 1641.51 2897.52 2810.78 3100.59 3338.35 2576.15 2017.69 2680.42 3308.22 2261.53 6167.73 6212.73 6145.85 6368.79 6351.47 6396.17 6367.69 6177.02 5548.32 N-[(2R)-1-Hydroxypropan-2-yl]hexadecanamide 6168.55 18040.1 12762.73 11260.92 22587.46 32192.44 30418.59 8558.43 10466.65 7314.69 6655.45 5678 12470.81 782.57 27885.2 12049.03 3794.57 14082.45 16436.62 21414.53 4547.51 27720.54 1116.75 11415.68 593.8 2450 8573.36 3793.16 20579.95 15829.4 7835.09 12316.82 12681.54 14637.14 17473.07 8870.5 4152.53 5477.58 4935.34 11062.09 6134.85 11872.65 9427 6172.62 5015.41 6508.23 11046.07 25864.61 2476.56 7641.26 6358.43 8923.95 4611.06 12897.93 4682.78 19877.8 9087.4 16013.61 11484.33 12247.07 8176.35 15776.33 12157.07 21834.65 36952.2 5583.42 16939.82 10248.96 8410.66 10128.62 14716.8 8966.59 5940.26 13610.13 14525.42 12983.76 11823.86 11831.12 12097.8 12169.12 11807.61 12022.81 11826.31 10855.86 Val-trp 6458.76 6897.59 3697.07 4956.93 33548.43 11950.86 6920.75 20094.98 27189.72 7430.21 3854.57 4542.48 7303.26 4279.24 23224.17 8516.26 1900.02 9661.76 14967.44 12430.17 9609.69 6676.29 1762.84 2410.29 13961.33 16810.26 6019.51 4925.36 21955.49 6141.18 4735.16 3794.14 16787.58 7691.5 4130.81 11030.49 11262.1 4603.89 4621.37 6926.58 8647 6362.03 11630.44 2834.73 8299.66 6078.73 11342.74 5992.23 7050.67 8993.88 9329.98 8205.36 13028.89 10445.86 10723.99 9826.51 5404.25 6590.54 10543.58 6768.98 3080.92 2296.46 10692.6 8342.09 8296.77 11512.31 19677.49 4037.23 3505.98 14780.65 14429.77 4617.76 5108.75 8844.51 4220.47 10427.43 12868.93 11716.48 5269.63 3682.24 12701.73 10993.82 7252.75 8423.86 15913.41 7146.06 6179.35 6455.07 4857.27 4467.94 4672.72 5512.62 10166.8 9182.98 6032.2 29824.04 19422.51 14088.71 18879.92 18134.17 9541.08 10218.77 10102.55 10668 10234.22 10094.62 10174.85 10033.83 9998.3 Dicumarol 330.46 146.6 138.19 111.72 686.86 189.16 640.26 1057.67 325.47 140.15 1241.55 250.77 573.84 287.57 215.82 342.25 547.78 343.43 319.15 402.73 483.99 219.55 168.8 227.1 246.61 416.22 142.06 709.92 127.28 209.66 522.05 342.94 274.91 528.4 632.39 305.36 486.94 620.26 607.78 520.92 526.15 448.56 368.75 644.96 362.03 369.69 326.99 509.28 311.86 224.13 253.27 419.25 518.42 484.33 645.06 474.88 637 611.25 643.64 702.49 429.93 475.1 362.89 480.88 354.31 324.1 170.55 510.5 674.96 430.04 530.09 467.36 419.07 324.12 214.52 2037.62 2040.3 2082.78 2080.57 2037.88 2041 2127.63 2081.23 2063.76 (9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid 2592.75 985.39 1932.18 42775.98 135536.23 166616.17 138758.81 3132.1 2652.95 2162.83 720.1 3037 19681.62 1535.96 723.79 7171.15 3269.34 1474.53 369.05 502.05 2331.09 520.95 484.57 620.39 274.22 1615.89 1922.39 346.44 2215.55 297.06 555.73 410.53 2027.76 4797.53 3788.62 683.26 1758.09 5361.39 3077.59 1848.69 34527.6 4129.69 1371.1 3850.73 3472.13 118969.54 2094.4 1741.95 1127.37 10284.06 3117.72 2589.52 2037.56 7212.64 19300.69 3478.78 6367.21 2158.14 1628.66 9375.43 3642.69 2889.71 1433.51 4730.56 1173.08 6699.44 4097.25 2644.43 1971.32 953.45 1892.84 2042.06 2484.87 6954.19 3752.3 19055.36 19129.15 19114.72 19114.22 18857.63 19125 19303.8 18857.98 18859.44 9(S)-HpODE 4948.87 9001.47 20236.91 33740.86 101583.38 205787.38 128249.88 3426.99 4920.89 6358.24 2538.7 11537.53 20917.08 9999.89 1580.59 25399.32 7120.66 16008.03 23441.91 697.9 8310.31 12311.3 8632.36 12279.38 3461.43 3236.07 15712.3 2741.17 6346.86 5460.06 2779.82 23707.38 2692.23 6180.61 4109.21 7064.28 6126.11 10554.41 22000.42 3431.7 45741.84 12995.05 10017.87 7618.27 9878.7 26964.48 3936.72 25676.04 7435.47 30254.21 14981.87 12498.94 8032.82 23220.51 10640.55 19695.83 14448.15 6699.25 5218.02 8354.83 8739.75 12716.67 2746.59 5133.92 1364.28 14691.41 11303.75 8393.31 26881.99 3994.18 6275.6 29173.85 5960.23 7585.72 28295.07 20642.18 20180.17 20619.93 21062.77 20170.54 20183.56 19690.72 21424.96 20473.88 Cys-Asp-Pro-Gly-Tyr-Ile-Gly-Ser-Arg 483.31 492.01 507.44 223.86 1353.75 1240.62 234.4 240.89 331.1 2105.36 660.5 614.01 315.58 472.52 374.05 957.65 193.34 1021.55 2060.72 813.43 749.27 214.57 764.7 268.08 1117.18 414.43 1135.57 499.52 839.3 760.8 248.22 2869.59 343.46 2539.65 1981.53 5041.27 6015.89 2826.87 969.78 970.51 2463.18 7119.28 2589.56 1576.46 9963.46 1848.3 5697.06 3361.36 3853.63 7972.7 3388.05 3564.22 2118.63 1163.49 4859.81 4956.65 463.45 551.33 11058.68 2981.1 1017.04 853.68 6431.38 3634.76 1650.23 5541.87 6908.87 865.65 1702.99 7527.46 4094.71 3690.23 3385.34 1491.82 1423.36 4582.64 4570.16 4541.77 4630.29 4745.37 4602.58 4627.67 4572.85 4628.03 Pac-1 3141.44 5108.96 4996.86 3256.66 4762.01 10482.69 8888.86 4219.84 9397.16 5515.79 1197.98 3734.77 1625.91 3724.14 5696.96 6850.6 2626.36 2483.44 7035.92 3374.08 2194.73 5020.58 2482.02 7171.88 3822.57 5327.24 5571.22 4655 2979.62 5218.42 4701.65 4616.33 5329 5898.08 5110.02 7022.63 2518.28 3982.26 3593.36 4322.74 716.01 10992.84 4097.65 1831.51 2613.66 4482.17 8879.86 7634.03 7242.91 5776.31 4499.84 2212.13 3685.9 3674.4 3370.56 2860.29 1903.08 2380.73 3610.93 2194.31 4343.7 3249.69 5080.75 2126.26 2197.14 7015.7 2030.14 4147.78 2656.01 2109.69 3496.36 3222.15 1412.13 2530.97 608.52 4331.37 4255.03 4195.65 4302.13 4402.69 4749.71 4406.42 4161.18 4162.95 Latanoprost(free acid)-d4 25630.09 33639.59 22253.51 16947.1 40658.03 799.51 9230.11 33183.46 34095.43 14043.8 24714.92 22091.51 42990.29 31776.36 24475.46 25793.56 19689.66 20861.82 40871.43 18234.25 20847.34 15729.22 18292.82 27194.74 31051.14 24047.08 31161.59 17789.64 26489.08 1822.26 22693.7 30543.72 18604.28 27508.66 21382.27 42450.84 18918.3 9870.86 17479.32 13887.78 6016 31884.43 27157.12 18389.55 28973.72 15578.14 15916.91 18605.7 38624.37 21986.83 38386.25 29003.16 54082.67 35147.83 30613.29 32678.27 28543.19 11678.24 19218.12 14131.98 37241.58 43284.78 31568.55 22066.97 8586.79 22921.43 16009.42 17503.21 17723.67 27446.11 19678.33 15159.74 18260.01 27078.51 32140.44 23512.15 23425.93 23596.37 23597.32 23455.59 23348.23 24216.4 23484.75 23421.64 13(S)-HODE-d4 1350.15 9878.82 71340.63 28552.64 2908.38 4241.99 12213.23 2648.74 958.79 4852.72 899.26 7626.17 17751.79 8703.39 2917.42 14383.25 23640.77 2879.14 1343.16 973.67 2890.7 13302.41 22017.79 16453.57 1248.49 512.57 944.82 1366.37 9289.97 1097.09 1955.3 5738.89 732.87 2899.68 2161.56 1248.06 3165.36 6995.89 12546.66 2027.23 1424.17 2926.36 7565.54 13106.59 5892.67 13287.6 1297.19 5204.51 6245.05 3965.95 2287.82 9603.95 10031.27 6086.36 10194.17 4812.69 61004.15 6781.15 1193.45 4241.17 31614.76 15778.27 3414.81 3631.25 9939.84 8096.55 2257.71 7072.59 5578.37 8576.97 760.49 2951.6 10915.75 7069.12 9927.88 11880.45 12243.5 11873.57 11873 12301.34 11863.66 11003.39 12641.65 13614.83 (6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene 768.98 1628.61 963.45 1062.02 2749.74 1109.69 543.21 2967.28 3542.02 4040.88 907.77 1724.24 2764.93 592.95 1957.92 2688.58 1436.69 1242.96 3413.57 1578.43 1737.97 1021.47 2743.93 1243.65 769.92 1345.6 2539.85 1349.28 994.35 2242.53 2414.43 1439.48 1038.01 3341.65 1352.03 661.05 2537.46 1047.76 1749.81 1624.23 1516.01 3234.47 1806.23 1260.48 2158.82 1008.54 1541.26 1204.42 2497.75 1941.99 1444.15 927.39 1280.73 1212.44 1395.8 1481.85 1601.21 1298.17 1389.39 1098.48 1426.81 3874.25 2904.78 1503.86 1345.19 1508.4 1112.03 1341.08 1602.12 1900.42 944.06 1489.09 1518.73 1554.21 1290.38 5954.88 5919.22 6626.54 5485.49 5635.21 5755.25 6817.92 5729.55 5656.52 5453.14 6074.92 6474.77 6469.33 6685.54 6088.13 5558.28 6015.4 6581.68 6334.25 5827.74 5886.31 5627.96 5405.23 5995.55 5050.44 1569.69 1608.87 1538.98 1787.82 1586.54 1537.82 1571.67 1606.45 1555.55 Lysyl-D-prolylthreonine 1159.85 175.04 2051.79 10343.2 15100.29 15558.14 22387.82 442.07 149.8 604.85 227.35 562.31 8053.25 649.94 1387.08 926.78 990.32 1209.79 601.58 165.11 321.78 3398.51 331.34 502.47 2498.79 599.83 915.45 603.51 2156.34 377.92 324.66 1455.84 183.62 2411.07 195.03 162.96 625.08 973.22 155.11 196.59 7737.12 535.2 832.39 567.94 860.85 12992.55 377.68 329.69 719.27 222.78 676.34 386.61 422.41 1420.07 2099.04 978.59 1054.64 853.57 583.86 2265.58 336.49 604.15 210.38 460.35 242.75 628.03 107.85 288.79 902.88 279.9 1073.15 452.26 280.25 958.87 1522.87 3225.64 3344.75 3227.21 3281.44 3286.94 3426.98 3019.37 3198.7 3360.09 (1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol 2195.58 2631.15 626.39 587.09 6664.1 491.45 6373.21 2916.1 2695.34 2946.94 419.87 3741.62 1217.15 871 4423.77 3183.98 777.07 1031.1 5861.62 8302.77 4595.63 5682.35 1435.12 987.86 2025.63 2876.07 1096.15 2546.94 9234.58 697.19 667.88 2997.15 6972.98 1843.87 2645.3 5520.09 1361.61 1513.06 1670.68 1798.61 3647.02 3771.23 643.53 1088.25 1886.21 1729.78 2150.75 3606.77 2423.18 3717.3 3070.39 786.05 1925.54 881.97 1372.3 1334.34 461.13 1541.92 2100.91 1158.92 1068.13 2346.73 3242.55 694.47 1596.7 1474.72 863.73 590.49 1840.5 1407.11 611.93 3456.07 442.31 1593.98 1373.46 3039.94 2790.93 2922.64 3293.95 2976.51 2900.61 3040.48 3047.6 2972.05 CYMARIN 20641.14 15347.62 27610.45 41457.18 41907.04 35208.86 27743 14300.77 7069.9 16447.43 17561.99 16565.21 35973.34 28391.54 13088.8 25700.13 9904.32 15825 23584.49 14675.04 8254.06 8060.7 23658.89 17761.83 20502.93 24128.04 19798.69 17657.53 15194.85 9184.2 6196.24 15347.3 573.47 90626.88 24061.87 12963.03 14616.01 43519.92 25415.17 25541.38 849.91 16886.23 25230.87 20801.79 7695.94 42725.68 6055.97 21084.51 23217.98 17863.24 25967.89 9549.31 45201.47 53742.04 28385.5 14585.87 26402.3 18690.96 8778.7 16019.57 20040.23 33800.08 15878.7 22011.11 7764.8 24060.26 8318.48 16975.13 15777.97 15191.69 3772.77 26894.44 25339.7 27918.22 37465.29 23982.94 23201.9 23462.94 23192.41 22690.72 23536.45 23360.47 23551.44 23398.54 12S-HHT 691.78 177.99 173.42 5250.06 10332.61 20853.03 13335.74 94.41 181.85 159.4 134.65 515 4954.83 238.86 177.35 1229.16 645.38 68.36 202.26 137.53 278.76 186.61 182.21 233.44 279.98 284.76 1119.09 496.13 201.14 488.75 83.36 1029.95 183.82 1085.44 402.51 125.12 68.4 734.14 171.78 300.28 7466.49 1867.67 207.47 197.64 66.46 10882.87 165.92 107.09 189.46 733.75 1103 276.73 264.43 3049.58 2326.22 62.46 100.81 115.94 275.69 1274.82 123.69 785.3 487.54 273.27 61.66 1024.46 281.8 111.63 130.91 130.15 96.26 273.3 124.77 178.17 1756.94 2813.72 2795.31 2819.54 2820.13 2816.67 2819.56 2795.69 2900.89 2793.48 Ametryn 2680.04 2317.98 1559.11 1046.24 644.3 921.12 1387.14 959.58 4886.72 2969.89 1921.5 4634.94 2175.63 1334.18 6904.83 670.92 1438.34 2267.52 1935.92 1622.39 5332.69 780.61 1056.71 877.77 3230.44 2265.36 963.34 1965.68 2843.94 2393.83 1228.9 1167.71 6459.69 2614.94 711.41 2149.63 3922.69 4986.47 1724.88 1229.37 1119 1542.95 1015.17 2223 1609.32 1984.43 2576.66 1514.82 2494.96 1606.89 4770.99 1572.78 2509.38 1050.49 4320.67 3928.29 1312.31 1881.02 4808.2 3363.36 1617.77 1930.17 5589.67 1400.16 2009.99 9103.07 5840.84 2109.14 1559.03 5482.04 3208.45 1498.42 1645.18 12234.33 1553.92 1769.44 1859.08 1873.54 1632.62 2000.39 1757.46 1857.69 1763.73 1848.01 10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 8025.4 12038.29 8705.52 9715.27 13999.58 38661.88 16185.49 8235.82 9848.62 9495.1 6687.08 8449.61 3242.97 14317.28 9894.8 11948.31 8863.92 16057.05 12336.08 14191.63 12566.51 11319.47 8543.51 5925.25 7121.43 13488.03 9092.83 8096.51 903.24 10937.98 10630.89 17022.95 9419.2 13901.3 9950.62 10938.91 10848.81 14897.6 8949.35 8411.79 14282.54 16769.32 8587.63 11052.37 12946.2 11451.12 10602.05 10805.07 5724.04 20238.5 11266.46 13223.62 8095.78 6303.29 5374.73 10902.19 10369.91 7546.98 8650.18 12692.83 8969.8 8165.66 8216.91 8136.57 6945.38 9228.11 14143.04 3443.28 7672.45 8300.81 8913.28 8710.55 5481.01 10283.38 11869.23 12931.8 12836.62 12849.2 13211.86 13042.04 12843.37 13050.95 12230.86 12838.49 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethanone 16357.14 6826.53 3316.98 2154.99 6951.03 2225.18 3325.35 19590.8 29262.3 7748.65 5666.53 4561.67 1890.02 2498.51 1344.27 8665 3880.8 12070.24 5526.66 13150.2 18516.36 9314.22 3473.07 4514.5 19741.32 977.58 2553.23 3102.29 2692.5 1939.98 23465.57 8332.59 4211.49 3186.3 2062.02 8286.49 9566.4 2011.23 3617.65 4734.66 10081.6 23383.85 4222.72 2424.31 14504.73 2551.22 14110.04 2754.35 6302.98 9982.46 3054.25 7163.95 988.44 2357.88 10736.47 3686.32 1704.55 1707.37 13105.54 2543.7 4507.57 2023.3 3554.31 1226.72 3200.34 15350.49 3682.25 5245.78 7994.02 14649.3 9259.38 10258.17 5584.25 796.47 1030.97 8353.62 8187.27 8330.92 8325.53 8299.82 7604.7 8190.22 8334.34 8329.08 N-(N-Glycyl-L-leucyl)glycine 7103.47 12166.6 17366.42 20797.24 11124.31 15449.92 32687.76 12384.46 11973.42 13087.98 14364.11 12480.88 19648.02 14758.9 12748.09 24959.9 15414.74 9304.98 30903.43 12764.1 10218.46 8118.01 12785.74 17834.81 8524.4 12647.26 18102.35 18802.23 14360.24 10715.5 9872.21 24273.82 7506.67 18355.14 20670.49 7822.9 10376.71 11292.32 14879.84 16597.7 14567.45 12084.61 22379.94 15323 10793.77 23284.48 11199.41 25942.79 16094.37 30867.76 8286.18 9094.53 24957.09 32216.09 6996.37 11737.86 14658.53 10117.09 6921.31 8627.83 12294.99 10790.21 9320.75 23676.7 18135.08 11076.4 12385.13 14967.53 14463.3 9652.26 11953.28 16006.91 22634.48 21501.94 21073.72 16117.98 15669.18 16115.44 16455.89 16063.9 15955.67 16120.42 15963.4 16121.16 Chaetocin 13634.79 3046.19 2912.3 3558.83 25473.74 5574.73 3879.55 3224.23 2188.63 1681.44 2715.09 13015.21 1737.46 3232.54 3371.04 3475.96 3393.44 2325.98 2009.62 1399.27 3486.62 887.57 1396 4077.68 3010.23 1972.9 1745.77 2162.8 1533.42 12193.47 3667.81 2808.44 1759.88 3977.89 4250.72 440.99 3340.71 1421.45 4455.19 2575.71 2417.41 1528.82 4661.77 4954.68 2091.31 4141.12 945.36 2026.34 2692.02 1321.77 4529.05 4360.58 4325.39 6427.86 1987.31 3210.74 2709.43 3839.54 2716.15 3755.55 5602.62 2953.72 6439.93 5616.4 4008.5 4082.71 2282.52 2389.59 2222.55 3479.34 4737.16 2763.1 4490.02 4133.98 6296.52 3607.8 3435 3615.63 4007.22 3749.06 3602.91 3731.79 3683.1 3605.27 PAz-PC 3758.36 6174.67 3471.97 5290.13 2700.11 6691.74 4620.4 3801.82 3132.15 3046.62 3031.18 4380.44 4194.4 4004.8 6251.59 2094.67 2885.74 8417.82 4045.12 6646.5 3137.63 887.76 3450.53 2830 2769.41 4614.42 1869.18 3526.57 6354.45 3894.25 5983.57 4373.6 5364.32 848.92 3529.75 6776.38 4765.21 3476.67 1926.28 4048.52 5926.81 7166.43 2667.85 3325.02 7398.45 3721.07 5967.52 2864.41 3460.62 8652.59 4455.89 4359.11 4108.88 5132.9 3840.04 5790.91 1854.79 962.09 4478.09 456.13 1728.3 5593.17 3612.28 2072.6 4258.78 7031.22 8153.06 7187.99 3733.63 3038.38 4089.68 3486.67 4931.83 3062.92 1992.89 4400.37 4661.21 4677.79 4608.96 4673.94 4680.83 4663.35 4901.2 4597.86 13,14-dehydro-15-cyclohexyl Carbaprostacyclin 1080.77 1073.52 11966.64 1546.09 1933.89 3723.43 13848.96 6902.95 14850.85 8073.05 8453.93 7211.37 5334.39 6824.43 1622.41 1861.37 9793.72 6462.39 2237.41 8926.3 4707.7 1146.63 9751.55 11213.99 2849.01 4134 9816.8 6824.01 1582.65 8658.6 19298.44 15209.8 3054.99 18470.65 9269.17 18752.94 13431.78 5515.9 9272.21 10038.05 27412.67 26920.74 10773.5 5045.44 11895.23 7117.75 10214.9 10678.23 9369.31 18310.08 7759.21 9223.96 13376.68 13880.97 9163.88 9875.49 9802.62 5097.51 6468.67 2588.86 6955.27 8422.6 4915.68 10526.66 7315.2 9395.84 13289.85 9842.65 7358.96 7269.29 6168.75 9385.94 6987.26 9646.38 17761.73 10710.69 10828.72 10528.88 10625.91 10641.17 10818.24 10628.14 10962.17 10660.93 8-iso-15-keto Prostaglandin F2 7333.46 2676.51 1796.77 2803.81 4831.17 4362.71 6277.03 8615.29 10193.35 11597.75 820.62 8101.85 8292 3796.53 1294.15 5442.64 3265.46 4111.26 10453.82 10177.86 6791.89 11336.51 11148.2 4869.13 10724.65 5137.23 8548.27 3532.53 5092.01 6056.57 6708.85 12720.13 8335.68 2971.34 888.64 742.93 6745.83 7625.02 2756.59 1596.27 5841.72 9209.49 5145.73 1671.07 6973.25 3764.69 1107.98 2124.05 8974.74 7595.65 7129.35 4215.42 1602.58 5133.2 5177.27 5017.52 1529.09 666.17 4946.49 4445.61 972.58 8667.37 7403.21 968.82 4670.79 3774.95 6944.41 4790.3 1551.58 3068.19 6279.16 6403.58 3062.39 4258.53 1894.79 5567.82 5567.97 5656.42 5812.7 5232.29 5573.12 5743.86 5615.61 5561.94 LEVULINIC ACID,3-BENZYLIDENYL- 90630.41 96246.99 103861.14 89601.66 99676.63 59862.41 37462.41 52964.59 110237.49 82002.81 9118.26 28815.51 48447.11 76178.83 70500.31 73387.25 71095.05 63086.81 74716.57 61758.9 36279.43 20854.34 35955.78 97817.28 107770.37 104595.59 112112.57 103461.97 108230.05 82016.45 84914.99 101183.88 30113.17 105908.11 90649.18 112548.81 97288 33882.97 87582.23 85232.37 74529.08 86810.58 95647.97 90807.65 88230.52 66283.38 101975.53 99330.9 56198.05 62809.9 62861.71 76218.86 85374.98 58167.73 22550.9 81781.22 84703.73 70911.11 89064.92 51570.81 77686.71 81030.67 83895.85 87577.73 80667.73 87614.48 79329.58 109058.43 104342.26 98988.14 71820.96 84821.38 51289.63 67662.48 90196.82 81935.95 79436.82 81875.64 80983.12 80922.84 80645.83 70470.86 77484.98 79394.68 Pov-pc 726.86 2621.39 1815.07 1941.02 1841.78 752.29 1742.14 4226.26 3865.53 1171.19 1034.7 2057.08 2356.97 2732.46 1455.57 1109.79 1975.47 1025.55 10264.67 1211.74 3487.04 1744.11 776.01 948.94 3078.54 1147.23 2322.29 3287.97 1622.37 3512.79 2550.84 7041.24 1140.58 16109.79 3735.1 936.5 842.41 5204.85 816.74 1497.5 4065.46 5856.11 1877.42 1293.43 4005.17 1146.05 2154.97 2543.85 5467.97 3134.72 5925.02 2319.63 4046.14 1468.49 6607.99 1050.15 980.2 770.23 506.6 751.22 1553.48 1062.44 330.24 1119.42 481.95 2727.15 1220.06 2649.05 2161.52 2324.11 2729.62 3827.92 4613.39 4951.93 2152.35 9777.31 14069.92 6223.99 7648.89 8843.45 7997.97 8889.99 8809.05 7890.81 5340.22 5528.4 9394.08 9548.44 3500.41 11222.24 4591.16 8074.61 10655.13 7344.83 8135.14 5965.15 10297.05 10112.49 1714.77 9063.08 3212.26 2786.77 3245.91 3817.17 2119.53 2969.02 3080.52 3202.83 3293.42 delta-CEHC 22436.94 27213.68 19563.27 27907.97 25577.11 25911.31 24746.86 26434.99 26134.43 35194.04 26549.2 23567.9 29934.24 26208.09 28115.82 33582.67 21860.02 25719.49 30541.68 26337.11 24046.27 18364.76 22567.27 26610.46 24790.88 23944.66 33760.3 34841 32273.54 9653.71 53333.11 28539.08 17564.8 30051.6 23249.71 28685.42 28876.96 22765.07 22238.81 18841.72 24867.02 44615.35 33017.26 22264.96 33114.76 24613.3 27666.11 26368.62 25485.56 31461.85 28207.5 23508.06 31891.07 32173.52 19733.75 25281.82 20797.33 18449.17 27358.26 17094.25 18326.96 22807.14 19381 22500.92 14425.79 29620.91 20923.35 25455.08 19321.17 23007.24 25333.33 29658.68 27676.44 24518.58 32648.14 22147.99 22631.43 23088.2 22725.02 22994.55 22102.62 22096.88 21747.46 19543.5 16(S)-Hete 6057.4 3486.92 825.05 1346.77 11160.18 7179.86 2421.43 14555.79 11616.45 4418.63 678.84 1306.46 737.27 2199.58 5531.75 876.72 1595.8 3828.68 544.59 5361.79 9988.41 3050.08 984.21 2304.36 7760.63 8834.07 701.07 1836.12 2901.31 935.4 1861.41 4657.65 2852.67 1708.86 1614.86 3900.77 9089.17 5691.53 1401.15 418.34 1844.27 13118.92 401.1 549.99 1778.27 932.69 5096.97 2311.29 900.51 2956.23 9546.38 3278.09 801.42 1087.27 3830.48 3154.14 954.6 1336.41 7412.08 1321.01 1221.35 1432.17 5131.23 1323.13 1726.75 7218.27 6498.82 1880.11 679.3 10239.86 7891.37 5176.03 584.12 1562.91 1641.24 3640.61 3561.42 3657.38 3655.36 3564.31 3619.66 3927.89 3565.71 3661.73 (S,E)-2-Amino-5-((amino(methylthio)methylene)amino)pentanoic acid dihydrochloride 12961.82 9026.88 7058.06 2920.65 12466.6 12793.18 12427.89 12955.01 15862.65 6732.9 9150.7 10208.32 10099.64 7984.92 13430.66 11680.51 8092.93 9664.27 8109.66 16894.13 16705.06 13331.19 6891.37 6920.38 9820.45 13652.54 8084.81 7961.18 12023.53 3416.16 15331.24 11023.72 4270.02 8003.25 9847.35 8319.22 9522.81 11229.23 7784.56 8324.65 10018.31 12330.56 8855.02 6836.44 11352.64 12691.18 13060.98 6609.45 8300.97 8926.27 11414.03 10582.36 10963.17 8559.5 2559.82 5567.92 5074.86 1407.71 9260.22 4138.28 6198.25 7945.66 9820.82 9170.08 8998.3 13420.54 15620.58 7439.99 4539.68 11706.77 4062.44 5464.57 5735.4 9653.29 9933.57 9968.12 9751.38 9865.95 9769.83 9954.89 9751.38 9958.99 9964.91 9954.5 13,14-dihydro-15-keto-tetranor Prostaglandin F1beta 418.32 198.2 1007.24 39186.03 28815.62 40652.29 72344.35 87.31 327.4 68.45 91.42 264.63 17611.55 139.63 381.63 3262.26 792.31 75.92 127.54 136.28 171.9 1019.21 106.01 673.8 81.25 204.19 393.55 448.25 72.96 913.35 147.42 2510.68 241.18 4034.54 227.17 368.42 68.15 1383.09 819.53 477.97 20578.48 2451.13 83.18 99.08 611.16 24589.99 410.25 966.05 367.38 916.94 3075.35 140.01 654.99 3078.01 4944 700.46 56.59 149.61 541.59 3300.53 77.42 2638.92 596.26 623.98 59.54 2215.24 622.47 63.71 165.19 261.98 76.49 394.02 288.03 1521.17 3569.17 66061.98 67244.66 63370.43 65593.92 63565.71 61162.18 59933.28 57584.19 63293.9 67582.14 98192.55 61941.04 58126.49 65609.03 71865.44 80857.39 62454.72 64054.22 65347.29 67447.29 61210.66 66838.47 64440.18 61853.03 72306.17 6112.17 6094.05 6112.99 6116.47 6126.57 6135.04 6102.55 6126.43 6126.6 DL-Histidyl-DL-histidine 2357.28 3227.88 1460.3 1879.56 3312.84 1764.23 3770.38 2641.48 4243.66 2488.07 10533.4 5609.02 1643.73 5599.71 2237.27 9518.22 5651.63 3563.87 6935.39 4989 6279.82 3293.05 1679.39 5502.29 3002.09 2773.48 3601.26 3696.72 2520.6 2106.35 3694.65 5879.11 3000.39 5898.69 8074.83 2029.75 4888.96 3569.66 6051.84 5022.88 1831.58 4515.88 9086.58 7724.37 4656.59 6338.59 3993.99 7327.13 5308.13 6876.85 3392.28 4360.38 5450.05 9220.6 2775.12 1737.34 4221.84 2459.16 5203.75 1386.04 6076.78 3124.43 3149.03 5349.39 4081.02 4126.97 7029.37 4713.12 7730.19 4155.95 3417.41 1229.71 10380.41 2029.53 7619.76 5999.89 5522.08 4946.07 5323.47 5402.5 5541.61 5455.13 5491.98 5312.84 (S)-2-Benzhydrylpyrrolidine hydrochloride 1484.43 1362.78 1245.34 1895.68 2008.43 1681.03 2953.31 1625.55 1528.49 975.78 2981.53 1373.77 850.01 2093.19 1406.19 4728.56 2546.72 3264.81 3202.22 2141.59 3231.95 1297.17 1189.79 534.48 1448.38 1807.02 1719.08 1108.41 527.13 997.43 1173.51 1978.85 2193.27 1015.54 1519.21 1437.37 1033.23 2541.6 2147.52 1838.2 1433.03 1002.74 1546.99 1851.06 659.83 1650.34 2359.92 1748.73 2352.05 3073.66 2081.24 3186.89 6647.14 2934.11 961.07 721.23 1551.22 1347.97 2094.77 1049.73 3722.47 1503.65 3930.49 772.61 678.26 3649.25 1696.1 1061.72 1151.39 3117.05 1272.72 513.04 1612.65 2075.27 493.37 1117.69 1523.06 1430.86 1786.05 1541.74 1381.22 1362.3 1490.64 1392.41 Lysyl-alanyl-alanine 1981.44 527.39 1812.57 2777.3 1580.63 6044.5 2980.66 8393.87 5581.78 2434.28 1425.32 2461.86 2883.47 2325.96 2631.93 1142.56 625.46 2472.38 4544.29 3353.75 792.02 5095.13 3031.88 2335.19 2453.75 831.48 2999.02 2730.45 3689.03 2063.88 4711.91 9721.81 4242.16 2174.28 1984 2787.02 4271.83 583.67 667.8 5228.65 3047.31 2421.18 5455.36 1611.95 1591.15 2965.28 2205.23 2154.72 1361.57 907.36 2110.36 542.99 2688.08 3561.73 2280.85 1061.59 1905.34 3334.58 1532.39 637.37 1305.83 2207.94 5807.46 1761.12 3617.29 1663.74 3685.27 2441.55 1921.62 3792.54 7324.16 1300.71 3493.17 5246.26 1606.23 2292.28 2208.33 1921.79 2148.06 2308.66 2469.44 2280.81 2176.31 2161.68 (5Z,8Z,11Z,14Z)-N-(3-Furanylmethyl)-5,8,11,14-eicosatetraenamide 21177.93 20262.77 6644.49 9908.12 13054.14 18665.15 12821.42 22209.59 23058.4 10891.44 2278.58 18712.97 16804.37 14739.65 21417.27 16283.99 8801.24 22835.36 30384.34 33914.18 23079.1 10018.1 1499.72 8479.45 24441.05 24457.27 11340.42 1545.91 33365.11 18031.05 25529.59 9971.12 19371.76 17211.64 14794.58 22807.87 19236.51 1913.62 12734.65 13421.02 25636.7 27429.45 5200.23 5536.35 31714.33 2454.82 27444.21 10790.64 15671.89 26831.94 20642.89 18825.33 9982.45 19460.62 17896.8 17291.69 2814.36 5477.02 12220.88 7374.12 3527.95 5304.83 9265.06 8033.03 3704.8 19906.42 25360.14 15039.04 14826.41 18881.33 15133.15 2546.82 3596.93 7742.25 14974.13 13845.47 15267.44 13051.49 13316.3 13834.3 13087.29 9572.7 12849.69 14222.38 Enantio-PAF C-16 13664.26 16823.35 14923.67 16873.85 16342.29 20520.37 20503.31 29063.2 16249.97 16565.52 25774.94 14759.61 15654.46 17816.07 16972.49 16253 18197.59 18577.41 20281.85 16763.77 25471.22 11873.07 13214.8 13698.53 13607.66 16431.74 14158.14 15058.48 15632.54 14950.84 17017.15 22383.13 14028.1 17807.21 15180.94 16116.51 15321.41 16569.4 16516.34 15808.11 16700.5 19502 16449.81 14513.43 15349.66 16024.8 15074.72 15713 14952.44 7346.57 8327.23 9238.91 9063.85 10054.25 13327.3 12806.16 11094.34 13171.31 14593.21 13020.92 13953.45 13997.86 14843.32 14191.19 16206.49 15817.74 20181.87 17862.42 17234.84 14821.91 16639.42 15692.24 16043.89 20090.11 8089.1 11810.66 12401.61 12453.19 12839.03 12430.19 12868.34 12462.57 12808.98 13127.13 Atrovent Hfa 3041.26 2874.99 3511.84 5251.7 19947.79 15206.13 15132.9 2190.33 5792.89 3091.67 4090.36 587.47 5243 2881.71 679.96 1024.4 1090.56 416.44 403.12 1383.41 1434.62 2290.6 2757.45 3272.63 2786.95 691.42 2364.61 5697.15 1701.17 3257.95 622.02 5841.4 408.08 3187.02 3925.49 1460.17 1511.36 1073.47 1435.35 2236.37 7934.5 6026.83 3573.38 1106.46 1693.58 1107.79 2850.79 2437.05 1691.77 3418.69 4993.57 1624.95 3360.66 6580.77 1846.39 1389.28 1990.04 1701.52 3316.97 4086.22 1965.22 1698.2 2245.81 3567.09 2066.99 2995.65 2651.05 1952.12 1984.35 1641.4 1818.72 2525.83 2702.71 5475.59 2845.4 4601.19 4560.34 4430.44 4190.41 4645.4 3623.05 5208.21 3485.88 4621.97 H-Ala-Abu-OH 2207.07 2987.47 7006.95 9119.01 9916.21 4757.22 9623.78 3048.22 4301.23 4327.14 5885.7 5155.4 5740.72 7418.45 6124.07 13781.76 6993.7 5028.77 11667.38 688.47 6682.05 3726.62 5600.57 8438.96 5267.47 8708.56 8318.39 11030.87 3503.28 5870.34 2825.97 9338.37 4884.12 9414.59 10128.04 4906.41 4323.83 8070.64 10616.47 14628.12 4101.36 8169.68 11927.02 8827.28 3328.29 9315.49 7857.44 13181 9267.74 14239.46 6043.21 7902.01 13775.46 12214.75 4698.75 6672.08 2462.69 4356.07 6350.83 5399.57 5934.83 4105.67 4580.25 7480.27 11112.04 5609.12 4291 6178.58 10651.84 5369.55 6833.58 12269.06 13800.98 14833.3 10162.93 8591.57 8293.8 8295.77 8571.71 9399.2 8580.4 8577.84 7956.33 8279.71 Z-Asn-Gly-OH 1837.9 2476.11 2216.05 2405.86 796.46 9246.91 3386.84 1773.61 658.43 1800.88 1559.69 752.35 3649.86 4456.65 2343.76 1675.84 2770.22 1735.43 6738.07 595.38 956.25 638.55 1573.18 2702.41 2740.27 4536.65 1868.14 3865.65 4541.18 812.9 757.17 2800.25 1904.9 5637.07 3508.93 2785.57 2313.02 1207.88 1416.87 3528.07 1635.5 1333.95 4055.06 4019.4 531.51 3198.26 785.33 2927.89 900.74 2756.92 2166.29 1985.73 3035.54 3658.46 1514 4279.92 1134.58 823.37 2527.63 2273.87 769.96 1371.94 2095.3 1548.26 486.25 1932.55 652.75 4287.95 1466.09 3085.31 1424.77 2384.52 766.6 983.15 2984.52 2145.16 2189.53 2190.63 2176.49 2154 2315.72 2335.09 2150.01 2293.06 15(S)-Hede 1821.52 2448.38 2975.57 3781.34 9924.18 34459.11 878.06 2547.17 1582.56 3568.69 4375.22 2822.21 5116.39 4403.68 3101.11 5527.14 5024.02 2145.39 5347.36 14539.59 4255.03 11524.41 3961.09 2039.86 1682.68 3402.82 4227.23 3441.83 2589.86 4102.9 13763.74 3881.16 5632.57 4153.79 1987.34 1094.9 5682.28 9217.12 2879.95 4099.98 10258.87 23879.36 6744.23 6098.02 3572.02 1382.02 4620.68 11118.63 2757.21 28229.47 3829.68 4454.83 5044.18 4178.24 1769.6 3765.87 6185.69 4767.68 2813.26 4066.14 5102.6 3326.76 4056.23 3945.06 2365.85 2533.81 3580.62 3866.61 3500.16 3043.83 3506.02 3412.84 3630.27 6957.85 4681.08 4973.85 5245.5 5237.8 5403.13 5414.4 5377.56 5246.41 5666.08 5187.95 15(S)-HETE-d8 2233.59 3153.17 1130.86 490.2 2226.66 2753.99 1917.9 581.8 1545.44 1621.79 1012.65 733.4 1593.47 1738.18 2575.16 3835.85 2625.26 1681.64 4958.32 3991.96 1283.21 1157.87 1203.42 1331.91 830.91 4835.18 630.71 1273.41 1317.32 2055.23 493.57 3978.94 1127.14 1727.58 1076.18 1916.24 1407.9 1837.45 1355.4 1649.7 3526.05 2602.29 1113.46 1095.96 1274.37 1483.82 2998.44 1887.95 2510 8502.48 1698.26 1696.15 1247.44 564.36 1968.52 2719.93 534.17 2273.66 2374.64 546.26 1341.42 1599.57 777.05 1288.42 1030.7 1240.17 2709.91 1773.68 4462.65 2942.95 2629.53 1589.22 1082.21 1557.66 5395.53 1680.05 1732.49 1688.93 1735.11 1737.32 1734.68 1662.86 1662.04 1404.14 (3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one 1353.56 4805.8 4370.23 3742.39 2993.68 8046.82 2183.12 2594.44 2207.39 2413.92 2596.85 2106.87 1810.5 2040.74 3653.62 2210.34 4582.05 1679.22 3319.12 4003.02 3120.76 3416.86 2893.72 2344.1 3300.81 3992.77 4069.99 2133.34 2196.81 1714.51 2528.18 3880.34 1793.51 6541.36 4558.15 2616 2321.11 4536.51 3088.45 1656.29 4148.08 3867.7 4439.55 3578.33 1553.65 3241.37 2771.02 2420.78 1843.77 5240.68 1729.27 2571.76 3737.26 3380.77 1259.56 4685.79 3144.04 2534.22 3533.51 2660.77 2971.62 3017.16 3179.93 3255.14 1808.6 4174.27 3066.66 1700.06 3080.03 1732.98 2277.01 3107.05 2669.08 3337.6 3377.13 3839.7 4266.89 3716.21 3818.43 3704.82 3788.66 3645.78 3647.05 3772.18 (+)-Aschantin 5526.77 8151.64 5684.9 7400.99 4695.29 5321.49 1135.49 6362.05 4886.28 6809.06 7879.87 5688.28 4147.5 6490.45 6634.95 2910.83 5901.04 9569.22 7709.55 7422.84 8637.42 5989.33 7731.28 6124.72 4857.32 6875.45 6350.16 6696 4807.33 8023.11 7184.46 5780.51 10347.09 9124.23 5695.84 6154.09 6971.84 7375.06 7930.57 7748.64 4708.39 7631.38 7771.44 7414.75 5159.09 5028.38 7080.15 8763.05 1822.29 5548.16 7933.8 8368.34 7889.79 6391.58 7488.48 9517.9 8203.03 11967.48 8510.03 6379.72 7694.89 7751.33 6301.76 6550.53 10206.22 5883.04 8501.16 7183.8 6905.04 5114.37 8009.35 7993.84 3855.16 5443.88 5414.51 5764.01 6509.24 7366.48 6511.83 6502.85 6729.31 6712.88 6585.1 6727.88 Propyphenazone 7800.82 11110.95 15658.34 13124.58 10798.03 15630.97 18250.86 11702.67 10719.51 4927.09 6284.55 6225.57 2983.64 7517.45 11200.39 12112.56 7578.09 10249.19 12263.28 12922.64 11286.76 7754.44 2052.42 10158.94 8548.78 5030.38 8524.64 7789.53 10419.83 4496.5 11097.44 12430.42 4465.82 13451.95 6697.93 10047.45 9060.47 11541.09 8875.62 10958.39 11060.98 10440.34 8963.86 4284.77 8045.02 18893.57 5751.63 8274.7 8744.73 9784.92 8835.25 9576.56 8864.11 10586.01 3425.93 8676.55 12923.65 10497.88 7893.86 11238.26 2972.66 7025.2 9484.66 11383.11 11285.55 8298.99 11029.05 10083.95 846.42 11097.2 9041.49 8685.48 8896.23 13952.16 11770.02 3559.77 7565.89 8031.64 7525.71 8245.37 7378.41 8026.03 8031.7 7820.31 Selfotel 2716.43 1406.19 2428.44 6395.42 2076.86 28295.6 11790.91 5440.68 4095.16 4434.85 4061.28 1180.32 375.97 1303.7 4688.33 2426.22 1028.31 4091.88 2658.22 13185.26 2003.71 2612.1 1814.15 1052.65 2723.28 2975.93 527.42 1522.02 3339.01 2344.34 5579.27 1680.54 4462.72 1280.99 1822.55 788.65 2855.3 1082.49 5311.06 1068.82 7832.28 5729.76 1232.23 455.08 4030.25 1655.93 1661.79 2119.42 2017.36 6859.27 2547.18 4749.06 1062.19 1210.41 1820.43 3119.85 1784.73 534.75 4249.58 5873.58 1161.67 1833.65 2583.85 2112.53 1781.55 420.64 2264.83 630.6 1690.18 2995.23 3315.09 3964.17 482.97 684.97 872.16 4329.25 3401.49 3861.12 2986.63 3785.38 3768.74 3452.12 3518.36 3764.16 Glycine, L-alanyl-L-valyl- 19447.57 11283.56 5684.1 5946.29 26956.02 16656.11 14324.12 23248.25 20910.26 9594.81 5942.41 7699.59 8123.53 7329.44 13287.21 10168.36 5873.77 6975.44 5678.81 11580.2 14168.82 11518.58 7355.67 5778.78 11026.99 14185.93 6921.21 4742.2 17725.51 2962.14 4319.82 11104.28 6525.77 8562.48 3720.25 13744.16 11305.06 9360.78 6685.7 7052.65 13711.77 23408.02 7364.76 5036.41 12395.5 5755.12 11694.43 9118.87 11050.35 10917.96 12438.49 11504.8 6671.69 8318.59 17223.19 11855.48 3012.85 1046.57 11687.78 2599.45 4686.36 6398.79 9039.74 4176.74 4878.32 13752.15 23416.25 6418.35 8234.98 23813.94 15209.64 11125.19 6891.09 3652.74 7258.2 7109.04 10629.82 11245.96 10639.68 10619.32 10772.88 11089.19 11154.62 11358.92 N-Arachidonoyl Dopamine-d8 11954.19 11495.42 11188.48 669.95 11991.96 52602.34 13587.58 1321.47 18398.68 15661.11 10682.18 35776.73 27269.17 24022.66 13583.61 3742.38 16426.13 15853.07 28358.45 43625.21 40747.75 22156.26 15287.35 9775.22 6918.97 19826.87 11627.87 913.59 23254.41 26769.35 47577.82 57634.71 16071.55 10462.27 7289.07 17067.94 10944.54 22520.9 7674.22 11543.73 31621.38 26112.07 19618.99 11011.63 27933.68 2075.55 12950.95 26007.21 19571.1 69904.77 50793.29 20636.07 16264.31 21537.46 19484.24 20065.38 11816.12 2339.14 11944.14 9917.96 5632.16 1324.63 8881.7 9500.33 16059.85 15948.14 33813.2 16435.56 8127.88 8661.22 16243.73 12826.67 14012.75 16926.19 7077.87 11712.06 12891.41 11688.89 12368.23 6924.68 12487.36 11494.36 11670.33 12635.59 Prostaglandin F1a-d9 4777.49 9305.38 586 4250.52 5876.71 1474.35 4975.57 1684.68 2249.08 1778.15 1076.62 8279.94 7464.12 5722.29 8619.54 12742.62 1968.51 1017.54 10312.98 17170.7 6746.05 904.33 3515.46 1944.62 1044.6 4021.62 4322.05 4754.62 7058.91 8057.34 13452.75 526.06 803.54 1047.44 774.18 1876.88 5815.2 521.6 1091.51 2020.55 2830.75 7580.67 3941.09 9094.11 13457.6 5540.08 16269.7 12300.65 2868.81 14020.85 1218.22 5433.42 1234.6 1546.07 5755.35 5925.51 8886.05 2920.17 4968.49 1205.42 5382.92 729.31 6089.93 2218.38 10412.1 4990.8 4686.16 5325.4 5894.03 9090.21 3489.21 11759.57 3289.52 3729.13 7663 5388.05 5262.42 5256.04 5355.65 5267.04 5089.97 5379.49 5378.9 5504.38 Oleoyl oxazolopyridine 2543.76 4491.6 2420.14 1821.27 981.07 1439.4 878.87 2027.75 578.69 778.25 2013.13 1801.97 1367.81 1077.9 2343.41 880.85 2028.78 4159.79 1086.54 966.29 2351.98 1669.37 1632.74 2438.75 2350.52 5439.41 2636.65 2604.81 2056.29 2774.21 743.77 5098.74 1987.41 2630.12 1851.38 3013.17 2722.96 3014.84 2989.71 3146.17 3487.98 5928.33 1366.67 1179.69 4344.27 2354.17 2869.58 2548.2 1798.7 2589.89 707.21 3361.65 1566.39 4477.87 5057.15 7123.24 4078.29 1751.15 2760.49 3238.32 2104.54 2400.31 4598.41 3448.67 2023.22 3954.4 1163.2 1920.36 4595.29 2015.04 4331.43 4939.02 3493.75 2940.89 1401.75 6793.45 824.73 1496.17 2208.78 2223.74 8809.02 2260.04 5901.42 7757.58 5840.87 6720.93 8130.42 7157.72 6626.48 5229.37 6801.77 7262.81 8279.24 4805.98 2157.02 2033.84 2256.97 2258.4 2256.42 1941.21 2173.4 2121.83 2072.78 3alpha-Hydroxy-17-acetoxy-6alpha-methyl-5beta-pregnan-20-one 2941.88 1018.27 612.85 1239.2 8414.12 1253.59 1928.11 9602.98 1877.61 678.91 955.68 3091.28 947.7 887.47 1630.5 2996.88 2703.2 1340.89 4329.56 13213.77 5344.95 3127.66 852.91 882.33 2069.75 1155.79 1192.39 469.82 2829.21 2208.82 3339.69 6764.29 1455.31 1212.62 1161.44 1496.83 1332.47 2231.56 763.84 1032.45 2833.54 1830.35 1282.63 752.26 4197.07 1062.71 5393.07 3436.7 2089.94 4122.85 5918.57 1128.1 5652.02 1955.5 2045.88 1471.23 1428.09 254.55 2998.89 3306.39 855.15 1315.93 1596.99 1751.78 1261.35 4687.96 1423.07 501.16 1128 4574.2 1293.89 1999.15 3588.77 879.09 2741.79 3469.95 4145.3 3072.69 3049.35 3600.25 3950.08 4770.55 3551 4339.72 Ala-ile 832.12 1539.19 3062.37 2007.29 3602.02 346.72 515.58 1058.56 4531.94 596.8 909.64 1049.23 1467.64 969.82 2487.66 460.16 868.83 2068.38 1494.8 1804.83 1876.27 1116.83 1057.78 1312.96 1913.83 1379.9 1174.05 1554.41 2857.5 1060.14 731.6 552.63 1092.66 2466.88 2520.31 1377.02 2199.22 570.2 1070.74 1469.08 715.29 1028.23 6833.01 1157.23 693.48 1877.06 1750.52 720.41 732.51 826.28 5699.73 2678.62 1874.79 1732.65 1584.87 2697.49 1227.82 1163.79 1274.78 1275.49 946.54 606.85 1442.82 3008.64 2240.51 1636.86 1388.59 591.97 361.13 1796.18 4278.85 1281.09 832.33 2710.49 1790.02 2276.62 2236.13 2180.65 2698.9 2277.47 2326.51 2053.87 2246.27 2217.44 17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid 1179.06 1944.51 1358.48 1080.6 1871.39 1696.91 1434.22 3787.76 852.83 1793.07 790.94 3055.45 2760.48 1292.91 954.85 827.51 1940.47 1745.88 1112.93 1820.07 4708.5 1436.66 982.97 1321.24 879.06 1765.97 1821.71 1827.27 806.79 1350.58 1665.92 511.57 1162.69 1002.17 2673.27 962.97 2693.41 1935.42 1253.25 1733.12 1000.13 522.38 1184.5 1632.94 599.21 1104.47 665.62 2691.85 1426.56 4107.11 1030.94 1775.36 4326.54 1332.37 1016.9 856.6 4604.13 1128.28 3163.18 1631.37 6635.96 1621.28 1122.34 1181.57 948.16 3369.47 1393 1121.86 1322.28 2479.85 1742.38 670.26 2438.71 1904.07 1611.74 1319.68 1380.08 1298.66 1375.79 1448.79 1284.96 1395.1 823.31 1345.74 ethyl (8Z,11Z,14Z,17Z)-icosatetraenoate 61158.79 999.1 151250.61 36205.45 115156.43 41152.22 9235.6 115138.46 63821.57 9003.51 47867.15 2217.26 4413.48 3404.04 140026.08 97724.65 55317.55 2229.8 148861.55 125949.72 99182.68 2746.52 105371.93 81322.84 88745.3 50323.73 43167.44 2642.03 119834.69 56170.34 42084.38 145826.32 76485.19 89514.1 72305.3 277508.87 61682.33 6962.55 50913.61 36332.23 30690.06 33973.6 71284.2 14318.78 75836.81 38687.15 87819.1 107659.83 121957.87 123433.22 56291.92 63590.71 120778.77 27777.47 116743.82 14743.5 12805.06 10773.36 240460.14 20384.77 78842.14 14189.75 74897.21 140078.63 138801.64 54316.9 25685.47 22560.86 18000.26 262333.09 8890.18 54261.27 58827.05 9493.27 48207.68 75133.3 71479.12 72996.45 73535.38 73589.38 71052.23 71324.22 70039.14 72485.65 Methyl (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoate 24989.46 28147.19 6111.23 8051.43 21177.89 13688.85 25386.13 12102.76 5898.17 5600.1 14192.65 24545.41 9842.72 12849.09 28715.87 42331.42 18997.39 21473.73 30807.41 76050.27 15503.55 3888.17 421.43 831.23 19750.93 3672.33 4214.26 13419.02 20047.64 13804.41 34781.49 1059.77 4621.61 3743.88 1002.31 20104.67 21630.44 655.07 2439.59 2514.57 12932.69 20018.6 8036.94 24526.71 32498.96 6603.66 65402.85 31089.92 8221.91 68345.12 4936.95 10928.99 1376.12 1821.14 18745.68 14032.29 1001.15 7168.29 16150.21 7330.58 5929.47 6861.55 11346.25 2185.89 3114.84 14844.88 9530.92 16250.83 29565.95 36385.33 7561.96 27145.05 7302.83 9793.21 24293.65 16679 16502.55 17088.01 16514.26 16614.21 16605.89 15701.19 16675.28 16610.46 Ile-Ala 828.56 9469.78 5051.72 7959.79 9458.45 1455.35 4461.55 12425.65 1927.67 7060.64 1301.16 7841.97 1468.87 3681.83 14356.19 2721.58 5678.15 7751.26 9179.28 10649.51 1073.97 4464.32 851.28 2982.08 14988.3 18812.56 5889.67 694.59 13176.13 2715.9 7153.49 5415.95 8018.21 2539.95 4724.02 10360.6 10164.1 1561.39 1258.62 9773.78 1010.32 3561.43 10935.81 399.46 7635.81 4076.53 13245.41 3463.99 3041.75 5971.49 2364.6 5376.55 5073 7052.97 9139.15 10059.83 6451.26 8317.77 8569 18887.67 1995.91 478.36 13127.55 12795.88 13323.41 8236.35 1573.49 1346.65 1038.97 10880.32 16412.57 2721.33 5515.82 15186.12 3470.61 9433.71 9119.71 8893.98 9159.11 9238.47 9222.42 9160.67 9239.25 9239.34 Prolylglutamic acid 1490.94 2576 2645.01 2298.83 5643.48 2844.68 3508.55 1725.27 1549.08 894.1 3480.45 3013.24 967.96 1042.59 5449.11 6040.51 663.29 4624.69 3337.1 2755.8 3648.45 491.57 1007.07 715.48 2791.58 2699.38 3088.57 2472.46 2506.68 523.85 2936.62 4916.96 2895.13 1945.43 813.54 970 2662.22 2376.46 2192.28 1518.05 1245.92 4441.75 3116.09 1029.17 1143.08 2184.33 3759.23 1516.27 1711.5 3357.43 2864.22 1346.4 3640.76 5068.38 1623.99 1397.04 1412.23 416.63 2809.93 748.83 1140.53 721.35 1453.68 1166.13 3536.59 5989.95 1702.86 720.34 2243.59 4694.27 4308.55 2419.67 4667.46 1881.59 2510.63 3067.35 3078.49 2758.73 3021.76 2835.08 2001.34 2735.85 3089.85 3050.55 30-Hydroxy-11-oxo-beta-amyrin 414.72 2033.53 842.25 2699.44 3326.82 5899.37 3536.13 2624.9 3817.32 2220.98 562.32 1410.7 1466.3 3244.33 2522.37 1172 2211.89 2194.21 1811.54 3597.58 3709.89 3722.64 2368.91 976.13 2512.34 2120.26 496.84 1891.53 1987.04 1681.95 1922.15 3093.17 1726 4144.07 5631.89 3253.91 3153.97 7047.77 4180.13 4265.38 5140.58 2805.1 4997.7 3237.21 3807.15 1475.03 3717.23 6339.87 2182.41 3917.94 1511.45 3252.63 3929.82 5379.28 2448.44 5336.36 1885.51 3759.9 2355.21 3164.77 1809.07 1112.2 3594 3910.6 3286.74 3791.45 7300.58 3240.22 3935.53 4342.37 4865.57 4745.73 4190.04 4589.09 6167.14 4004.68 4051.78 3910.9 3978.51 3972.54 4053.42 4047.07 4064.39 3968.7 (3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one 111948.1 105897.73 222561.83 187248.32 182360.64 164482.98 141117.67 37585.29 276021.47 58633.15 28627.64 409420.63 305503.28 555876.82 173571.49 184899.21 151101.09 164407.31 139099.24 361039 238625.17 236052.02 69842.49 80414.62 131649.05 363499.87 96526.2 173723.47 299797.28 409436.2 296978.41 330484.14 142786.39 34800.59 182845.14 213831.81 217402.85 139370.42 107940.19 153428.01 291634.17 149767.25 154203.57 156538.2 280923.84 123291.28 254478.64 151518.92 278030.78 388111.53 860092.44 153967.05 179437.98 347905.99 207542.09 109246.84 28914.43 103175.71 102811.82 90463.02 53133.54 69105.73 155992.52 76131.44 179390.79 178610.65 608846.07 133517.55 183480.65 97252.84 283734.9 95551.65 141954.17 354542.87 236439.44 200281.29 203506.15 203347.97 205785.28 201009.89 200293.94 200887.08 202052.41 203371.72 (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol 4702.26 15072.16 6914.32 22021.46 11318.26 44647.14 7153.19 7341.12 10224.36 8762.98 17197.6 15787.59 29673.33 17273.76 12298.86 17089.57 17883.17 16152.74 27277.19 29546.04 20392.89 23475.81 19655.18 12063.8 9900.26 944.37 12173.76 12294.76 9590 7861.5 11467.24 22602.32 16408.82 16994.57 11151.14 8976.76 6199.44 23051.34 8847.96 9293.71 17340.65 18231.88 12198.66 13940.07 15755.47 5808.08 14251.79 14410.59 5212.52 28913.88 10634.45 10434.5 15312.94 47932.13 11169.8 18493.66 16038.45 17784.9 9268.27 5099.87 15036.32 8289.09 16089.29 17609.87 8748.02 17105.28 25215.86 15402.35 12657.53 6119.13 10934.19 10989.31 8638.33 32779.34 26930.45 14056.21 18062.76 16308.38 15919.83 16803.74 16355.71 18035.87 16542.14 16854.95 3beta-Fluoro-5beta-pregnan-20-one 4197.59 3602.84 4911.1 8234.73 12315.32 23612.31 23874.95 5478.8 5368.55 4850.51 3236.56 5315.46 5087.82 4338.88 5014.49 3910.75 2267.31 3862.04 3865.75 3452.39 8179.18 1600.27 1990.79 4026.13 4388.47 6268.21 3982.64 3619.97 4077.52 4088.78 4743.4 9175.97 2868.82 5007.45 4707.73 8559.87 5230.09 7065 3616.42 2473.29 13564.13 7810.16 3010.14 3549.48 5581.19 8796.16 5334.46 5834.59 883.92 5016.7 10530.66 2987.53 3725.91 10523.32 7154.24 6982.46 3778.85 4466.6 6716.16 5619.32 3641.35 4249.47 5756.61 4020.4 3335.53 4288.31 4499.4 4054.24 4741.54 5912.52 2955.98 1762.52 3167.48 2438.29 4484.57 10409.53 10186.23 8789.24 10392.73 9627.01 12378.71 10429.89 10091.32 8855.93 C.I. Natural Red 20 4621.66 4879.63 1648.22 1893.57 453.31 719.6 1626.24 711.92 3186.22 1892.11 1569.52 1620.01 3428.35 455.61 6909.8 2806.37 1228.86 1216.74 9254.39 974.62 3161.83 1789.96 498.37 1686.08 3033.8 6645.47 801.45 699.51 5161.24 1810.83 5494.5 3024.88 9197.6 1785.07 2147.87 833.5 1794.27 1628.85 1001.84 1494.28 453.29 4582.47 2523.23 1069.14 2150.61 758.89 11956.4 2619.2 1147.69 3593.22 2240.95 949.07 2204.51 2371.19 2286.44 1600.41 435.18 862.6 5490.06 475.62 1055.38 526.71 2686.36 1832.98 3135.39 3225.56 2358.05 560.17 5057.15 3076.89 465.93 4342.58 3477.82 2593.28 2911.9 2656.64 2642.33 2266.95 2627.84 2655.62 2638.43 2530.2 2491.64 2496.71 5,9:6,9-Diepoxy-4-megastigmene 42489.31 20495.21 24868.03 24584.4 21824.18 19121.35 25395.75 21885.53 17676.42 23367.7 17806.77 17613.31 15865.44 22224.82 16935.27 18632.13 15838.73 20017.83 18054.45 26061.63 25894.76 17202.89 14284.3 25314.68 28772.33 16448.97 21842.4 20562.43 19085.3 61217.52 17615.84 20723.77 20881.49 23895.7 31783.89 17881.89 23587.04 23888.38 27964.88 24726 29799.63 26429.92 24764.04 25001.16 25732.56 25416.69 26458.57 23514.7 33808.63 26035.69 22533.75 26088.98 20495.92 21945.41 21716.92 24863.65 22283.7 22357.6 17574.68 24972.87 20318 24069.1 16204.92 21723.14 16278.32 16865.79 14676.88 21696.03 20269.97 23434.64 22329.51 22756.27 14586.11 27015.73 24401.81 26785.6 26657 26654.11 26745.38 26750.66 26654.91 26785.55 26653.85 26785.32 3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid 4414.02 1668.56 2873.16 1297.5 63835.13 60904.63 28515.66 743.76 888.13 660.69 1633.18 2648.79 2956.52 1182.75 1871.81 1692.86 2671.67 3410.82 4521.1 1956.85 3182.67 1119.36 4151.39 3556.08 3402.82 1296.13 2955.39 1689.47 25077.72 3471.51 1824.12 5376.54 1686.34 5586.11 523.59 1395.89 1344.33 326.94 1232.29 1249.33 21029.81 2592.11 272.12 833.63 1031.67 10142.93 1060.33 937.31 1315.99 3083.97 4976.1 1514.36 1340.32 4407.6 2920.78 1284.81 8955.6 785.1 909.86 3430.09 1021.05 1651.06 1279.13 1073.94 840.05 2750.97 485.07 1397.81 263.55 1397.64 1514.19 1094.32 770.62 2343.87 9137.27 6059.7 6386.92 6195.42 6034.46 6387.22 6446.09 5978.63 6039.79 6384.2 (E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin) 8636.36 7645.54 7619.02 8135.68 10368.8 10015.11 11740.01 19069.93 9639.57 7194.2 15718.07 10968.14 7194.15 7268.1 9159.46 6813.59 8566.74 7668.87 6981.13 7184.75 13137.44 7561.04 6507.53 6545.04 816.28 8262.49 7519.7 9113.96 7461.4 7339.61 7943.96 8056.32 6925.24 9252.64 7086.63 7637.59 8007.7 8583.47 7520.97 6503.83 16594.47 9760.3 8028.04 6913.87 11404.03 9070.34 9895.2 7833.68 1808.92 9039.4 8837.47 9158.47 8298.02 8795.73 12743.33 9352.15 7094.68 5325.22 8689.35 7911.45 7095.83 6513.32 10532.94 9020.38 8681 10571.6 8835.11 6953.21 6509.87 10216.46 9138.25 7203.61 11358.96 4128.74 7734.33 3336.2 4658.26 3392.34 3327.25 3627.18 4090.23 3378.57 3043.46 3434.68 3019.43 2508.35 2991.26 3169.16 3196.44 2996.33 4658.95 3134.56 3103.7 2870.15 2785.0 2836.9 2762.45 3410.11 3389.19 3837.97 10111.19 10105.46 10045.97 10079.86 9952.67 9951.67 9951.35 10104.41 9951.02 Adouetine X 5366.42 4933.71 1036.35 6075.54 14795.22 9093.82 6814.64 6302.04 4141.47 3792 4012.37 2554.97 2754.81 1626.54 1768.76 7010.32 2913.62 2176.04 1709.86 1382.08 2850 1598.61 3808.96 4635.23 3744.09 2545.59 8408.68 5688.07 3853.82 3129.33 569.49 7635.53 1224.64 3639.09 824.62 3000.68 747.13 4636.15 851.5 2353.63 1468.81 5746.19 954.05 1928.34 1297.72 4890.1 1264.95 1543.26 1639.16 5938.85 1857.09 2792.63 933.15 5159.49 524.07 2434.01 654.66 1058.88 1234.19 704.53 2890.62 5628.54 2893.79 4407.6 1888.12 4565.91 834.17 4361.28 1608.6 1961.29 1202.27 5468.26 994.87 833.68 7776.2 2668.87 3276.82 2172.49 3007.35 2607.6 2653.62 3029.5 2883.31 2796.94 (6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid 6738.27 7267.7 16158.09 52775.16 82653.96 79597.05 73691.1 8162.81 10399.4 7295.89 6419.76 11970.38 32564.43 10475.33 7928.15 23178.68 10233.12 9297.94 7791.93 3346.4 9126.56 14800.31 4547.08 6241.15 10461.36 5797.65 6535.13 7862.58 14138.53 7675.48 8746.68 20901.57 6331.85 13644.91 13450.38 9097.48 4428.35 10417.18 5979.32 4690.32 32750.59 19307.8 5280.95 4741.64 11084.17 59915.45 7417.55 13370.29 4897.71 17439.32 13286.69 11099.31 6006.96 16975.63 16215.4 13682.48 13028.1 6042.82 3898.81 19903.82 5782.11 9759.75 9123.7 8888.26 3507.85 15099.83 9190 5831.92 8805.78 5460.77 7534.18 5562.66 5866.38 8059.91 18113.49 18701.61 20385.77 19017.64 18667.77 18754.9 19017.83 18661.96 18917.45 18755.53 (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol 64943.12 44965.61 43783.04 103066.68 269263.56 161452.43 33719.61 52566.84 81164.13 62055.79 16876.74 78677.86 168775.8 61927 63785.26 150567.54 39901.45 111792.53 161713.12 152025.45 130461.37 62749.93 47230.23 21107.62 66656.15 100853.27 25108.35 53008.4 89190.52 100208.21 187091.31 252603.62 46394.13 124401.47 78387.55 73828.9 62587.07 93644.04 54677.31 56644.58 130540.14 131602.67 49029.36 37711.5 124422.77 113176.87 70959.6 67029.02 58083.18 205790.91 51242.53 62176.03 58004.14 87026.88 69072.25 60637.72 54186.66 38826.8 27982.84 51002.02 37640.33 43288.51 58139.54 78444.59 40595.21 74106.61 142698.13 60118.71 55108.95 74949.73 48872.92 55668.65 53862.13 104248.09 96079.42 102781.72 103358.25 104088.27 110720.18 104027.03 101713.95 103266.5 96220.58 101623.44 (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside 5522.4 9264.52 4980.12 11015.82 10368.3 18686.65 11765.1 8829.99 7138.6 8173.84 7447.58 18563.11 15548.48 7546.6 10988.97 10929.57 8142.92 6528.39 6905.22 26353.07 8347.1 16983.73 8487.67 7586.87 9154.55 11079.84 6952.24 9466.04 9533.94 5584.67 14483.13 9370.88 22434.45 4480.67 12770.11 11767.57 2812.8 11389.47 8540.62 11907.27 9635.87 6664.68 10235.09 11188.83 13888.03 8540.19 9432.84 7410.4 13894.35 23264.66 25901.14 8692.95 6325.31 11744.17 1524.95 4681.92 5242.26 4648.63 10491.45 8640.36 745.75 13245.17 9049.65 1397.69 15227.77 12075.73 13571.13 9317.45 11225.94 10685.52 9974.47 7351.43 12683.93 17239.87 9192.16 11178.24 12471.78 12341.32 13173.51 11814.27 15232.22 12939.01 12322.71 12948.32 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one 558.46 1633.56 2222.92 2001.27 2907.46 3397.17 1805.17 1515.91 1454.18 1491.04 994.36 897.46 2632.91 2033.31 2651.45 2638.56 5374.04 8114.67 5976.38 4245.78 1886.31 1440.62 1200.97 516.37 492.75 3025.87 548.94 1396.09 5122.41 561.62 3423.46 5643.55 2138.24 2311.44 1272.35 2072.32 588.88 1705.66 719.06 2162.59 1116.27 1550.8 3181.79 865.29 2891.87 2534.01 1310.08 2242.27 1230.83 3547.41 1095.83 3342.9 3496.36 4244.06 736.29 11222.85 586.5 4200.99 1985.35 2659.46 1897.07 1406.42 1591.72 2467.28 1685.49 2794.38 8146.16 394.32 1821.26 716.79 989.93 905.17 1452.18 4233.11 1387.38 2718.28 2858.39 2647.49 2848.47 2707.83 2805.25 2852.35 2850.72 2706.72 Avocadyne 2-acetate 47179.82 54338.56 25314.47 59951.49 49402.14 34725.15 27397.81 41516.28 17578.77 17554.49 11549.53 24065.88 89838.36 41509.36 66832.82 115153.02 73873.2 92198.77 65103.44 41444.39 23199.06 13217.55 423.16 36003.09 23126.06 16199.96 22607.26 11865.97 37140.58 9542.06 22456.28 50079.35 24687.15 10325.27 26261.75 39455.05 32801.29 9957.52 5795.38 18194.3 48449.53 44111.95 20336.67 76369.81 21680.01 28886.98 46802.32 57114.69 13867.51 104581.5 15399.12 18817.44 9310.95 29877.68 68052.66 83091.44 78905.07 39692.91 24496.27 42737.04 58555.34 32821.41 26745.35 48781.05 24604.76 83463.84 37514 62826.4 106372.43 47985.52 31730.01 25952.39 44989.16 53668.49 66350.25 47964.91 48293.62 48740.51 49036.44 48968.43 48969.13 48939.24 49031.47 47831.52 2-Ammonio-3-sulfanylpropanoate 929.3 864.86 1618.25 2953.08 4328 2817.4 575.75 4276.17 4732.82 3119.67 1711.25 817.67 795.08 783.05 4823.63 1958.19 876.32 4934.68 4755.63 3687.65 2941.19 1885.86 1292.64 517.08 2971.46 850.5 1591.79 1410.71 3282.03 1781.56 2466.48 2270.9 2770.87 1329.2 2308.08 2103.29 4532.28 3090.26 1469.81 4331.95 1043.48 2340.7 2932.65 876.01 5289.68 3220.15 6182 2347.19 1371.85 3184.26 1021.28 1534.73 3061.97 3944.04 3002.27 1727.83 1243.8 1996.36 4999.29 2531.59 2435.04 1137.85 3886.49 3249.89 1794.28 2477.73 2792.84 1477.35 620.8 3710.98 2190.07 2897.15 2549.29 4176.31 1573.57 2644.93 2685.06 2734.28 2375.55 2738.56 2531.4 2721.18 2737.84 2789.19 (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol 4798.47 5411.32 1809.88 2308.72 15745.56 14264.78 3151.66 1844.27 23779.83 3981.51 1223.11 2177.55 5489.73 4594.87 1676.48 9476.96 4561.71 5856.1 4319.16 3174.93 6102.65 6216.37 567.6 703.42 5621.24 11173.41 601.25 1227.11 8334 4957.59 6810.16 7593.43 6344.79 3090.67 2569.06 5474.72 901.52 1421.28 748.31 2158.61 641.83 7295.88 769.84 1388.91 5493.85 1652.27 6712.43 605.58 4290.11 13561.92 3589.44 1600.25 1892.24 911.17 2700.53 5157.78 3019.2 1948.86 6634.13 5644.72 3117.47 941.68 21185.82 2387.31 2432.35 8181.9 9505.32 2788.07 4812.92 3464.84 6965.78 1051.18 2114.06 2393.54 7114.91 2930.71 2912.87 3023.59 2820.23 2889.65 2327.27 2234.08 2900.2 2670.81 methyl (1S,15R,17S,18S)-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate 4471.14 5832.96 2803.46 3066.66 1256.53 6640.11 6323.33 5940.28 6609.61 4766.07 2885.23 617.29 408.81 1586.17 1229.29 636.82 722.06 4639.86 440.08 6093.37 4563.79 393.92 3228.48 3297.31 4883.36 6042.14 4376.68 3496.19 2688.65 2063.14 6636.58 4941.91 3425.31 4998.47 3267.32 2617.1 4675.25 4228.8 4329.39 2947.22 8916.44 7607.71 1327.85 2332.88 8227.73 3978.61 2264.03 1098.35 1700.67 1311.84 3969.82 4957.04 2709.04 2700.89 3793.7 4257.34 2148.51 2054.28 4467.39 3418.46 2938.26 3232.29 4404.86 2957.68 1597.27 4868.67 6951.43 2229.22 2656.32 5759.52 4575.55 4823.16 3355.01 3547.56 3081.4 5063.63 5059.79 5063.93 5153.08 5157.39 5204.14 5264.17 4852.62 5069.69 (3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one 9439.41 7754.33 5227.3 7871.52 15742.17 977.32 6863.62 20409.33 11792.56 483.76 9539.34 7844.47 9155.11 15918.93 8958.69 14229.77 7046.51 10496.67 10939.28 616.28 9529.92 4929.62 5366.16 6055.45 12380.78 8583.74 7253.42 7929.61 15070.95 7252.42 17354.89 26308.34 4960.27 12187.2 3767.77 5581.6 4102.8 5123.42 5166.35 6877.21 12078.32 7749.17 5507.23 7046.4 14558.76 7489.99 17779.21 6240.82 7992.21 12651.61 4969.61 6271.09 6154.93 10819.43 8799.75 3258.54 1278.42 8951 7917.34 4807.45 3033.41 2458.6 6286.6 10879.85 4960.51 11633.27 12556.8 5566.32 6152.44 11358.18 5882.26 7637.93 9831.6 11104.11 11122.13 8661.12 9257.97 9555.17 9543.95 9640.07 9169.29 9213.13 9339.47 9916.02 (3beta,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol 4109.97 5377.49 4097.84 4517.91 6381.23 7881.07 5892.58 941.47 4388.91 566.24 2394.3 4244.95 13558.56 5679.37 7991.42 12554.14 6366.47 9622.15 11219.47 12878.42 3850.18 4107.73 2919.59 3570.55 4231.39 5158.43 3692.53 4819.17 8157.76 4634.25 6945.9 11877.57 4825.79 8380.07 2452.04 8843.25 2176.63 1783.21 2268.82 2864.71 10360.24 12279.57 2459.2 2428.38 9242.21 12264.81 6667.01 3432.28 1374.11 1602.61 2299.43 1075.89 2333.63 9663.04 2530.98 7886.72 1730.71 5335.87 2281.87 7628.57 1952.41 1974.47 3231.46 3097.85 2310.65 8828.02 10523.13 3801.92 8769.9 1689.69 1722.19 1890.26 1709.77 9903.51 3617.26 7857.75 4317.95 6208.14 6730.43 6688.14 6164.05 6682.15 6708.53 6701.21 1-Acetoxy-2-hydroxy-16-heptadecen-4-one 2085.19 3713.63 523.87 3429.95 1288.01 3019.07 2420.3 1917.97 911.29 2045.42 2744.99 1916.27 5596.91 2252.38 5029.9 23674.39 3496.55 2718.45 1232.08 662.06 2614.71 1257.38 814.79 2986.59 458.02 2228 3597.46 1236.89 1453.05 2490.94 2947.35 1167.86 1745.93 866.9 3991.14 1720.9 3210.54 1545.8 859.83 4663.79 3333.38 780.01 1265.37 2468.12 2877.95 1741.57 2828.17 1833.96 1723.12 1566.33 1517.02 4389.83 670.82 1355.37 5212.82 679.74 1398.2 970.37 2396.04 1126.64 2258.1 3015.44 2608.12 836.19 1735.8 2074.39 3446.22 2940.92 1974.75 2000.34 577.48 1094.49 1568.53 2790.82 2818.68 2850.33 3091.85 2858.31 3131.71 1110.83 2956.65 3107.82 2896.33 3566.24 (3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one 1397.7 475.97 2782.06 3659.01 3271.9 5138.48 5761.08 1246.98 2986.07 3954.06 5847.25 5956.83 18346.93 5825.78 2316.42 6701.01 5295.19 2471.26 8393.56 3616.75 1994.01 2015.81 4559.32 4358.85 1624.23 3188.59 2862.14 5029.08 4142.64 3511.4 4135.76 14066.98 2317.98 10718.05 4238.57 2482.66 920.24 3629.17 6073.1 3638.08 4190.44 5934.52 2664.59 4268 5478.44 10730.76 2750.96 2387.41 4495.56 20395.85 2632.29 1671.55 3788.64 8976.1 2425.6 2111.85 2637.27 3417.36 1516.74 1160.26 5502.34 4086.21 1269.16 3410.15 1249.86 2324.89 5575.97 4175.91 5718.68 2517.64 2423.4 6775.48 4184.96 7726.66 10695.91 6268.37 6170.24 6267.77 6181.12 6062.3 6243.97 6311.67 6203.22 6009.83 (3beta,9beta)-7-Drimene-3,11,12-triol 4690.34 6019.99 5973.06 7911.12 5850.68 7380.67 10351.66 7263.87 5341.89 6211.61 7777.57 6598.93 10440.06 8643.58 5915.66 9164.86 6880.9 4311.79 9840.2 1827.92 5795.6 996.32 8834.34 9180.64 5855.16 5215.97 9134.77 11572.64 5777.18 1598.1 3007.29 9950.08 4528.58 9568.78 10059.09 5394.79 5837.21 4785.99 10353.3 9169.93 2977.06 7143.06 9071.44 6606.14 4165.48 8648.94 3582.91 9643.69 6528.07 11254.54 5189.2 5170.22 9361.64 22190.04 4750.77 5688.62 6349.08 5918.32 7819.11 1719.28 7446.01 15261.8 5244.79 9670.31 14370.81 6624.67 1627.13 8059.82 9401.35 5836.37 6328.3 8451.59 9129.03 9390.94 10087.99 7232.57 7290.24 7258.04 7195.36 7259.75 7197.76 7226.32 7175.53 7260.54 (3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol 1605.61 878.94 4308.57 15943.58 17127.57 8643.21 3451.18 4414.94 4908.4 4337.84 8618.02 50232.59 71352.74 648.67 1356.76 25872.55 1592.03 20296.06 454.42 38598.69 7968.15 961.48 709.8 2557.52 1976.56 1875.24 20219.84 3442.42 25624.53 17854.14 34935.36 87793.9 1037.18 6395.99 1096.11 16051.13 1701.76 2276.6 1481.21 9497.36 51546.44 6213.3 5947.53 9094.34 24013.99 9273.07 19033.84 15728.46 10018.43 78755.04 10314.34 3947.27 9856.11 19426.42 463 1948.3 4394.87 12174.26 1677.27 2035.03 1649.55 1271.3 1265.35 9888.35 5827.12 2576.08 6021.34 7165.46 10275.2 5722.64 1752.93 5423.98 2400.49 27045.55 18427.28 14182.49 14204.59 14609.66 14191.67 14307.43 14937.76 14636.54 14376.89 13595.46 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-2,7-dihydronaphtho[2,3-b]oxirene-2,7-diol 5551.9 6255.34 1743.85 2089.6 4311.92 461.31 7561.75 736.35 5544.31 10281.05 4427.6 677.96 1987.19 9309.71 823.02 13025.39 10239.37 13963.71 4960.37 12645.21 3313.76 2954.7 776.33 4517.63 5945.23 8640.53 6775.4 2313.38 10440.91 8527.57 6348.36 429.38 600.68 8587.17 7938 5933.2 3885.27 7999.85 5057.35 9995.69 7493.96 4111.06 5213.54 7916.09 2112.38 8213.09 3995.85 5394.11 2239.45 512.61 7016.58 7001.29 5818.39 7898.09 2615.94 7288.85 7358.63 5801.61 8048.39 7994.05 8023.62 5550.14 5826.28 5946.84 5840.46 6104.46 5561.64 4471.16 4639.48 4746.01 7201.23 7096.53 6296.93 10923.53 4613.88 8148.04 7203.91 8165.86 8430.27 9263.95 7947.06 8093.03 8267.88 7186.56 (9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid 212.57 235.99 134.45 7140.99 55009.18 58950.75 79324.69 449.06 118.85 365.31 182.33 92.77 355.72 169.53 110.81 535.3 363.88 1220.74 293.19 57.67 197.66 156.68 157.07 336.55 263.14 50.61 287 62.32 440.58 122.84 324.73 257.55 67 508.08 744.56 57.39 140.11 1007.05 371.64 469.92 9219.2 1024.73 166.04 408.98 258.12 3592.4 1580.73 74.66 360.37 111.77 448.07 601.79 284.64 447.3 1053.09 145.54 1354.27 1399.08 158.65 866.53 128.67 551.85 254.19 376.7 179.36 862.59 740.92 324.79 248.9 126.89 153.34 152.87 324.31 486.06 562.36 3555.65 3632.54 3694.46 3256.22 3589.67 3551.73 3661.53 3555.03 3629.27 17-Propyl-5alpha-androst-2-en-17beta-ol 2524.32 3590.97 1864.59 1575.33 3355.54 5519.65 4380.48 2792.19 4886.59 2349.6 2249.87 5648.83 1504.62 1961.64 1533.64 2715.22 1409.82 1221.3 2393.25 3495.82 2794.08 3565.8 1853.34 2531.59 3668.06 3540.4 3300.41 2431.57 5262.89 3367.39 3123.85 2977.95 1998.39 2892.21 2486.18 3941.64 2424.88 3589.3 2383.16 2164.79 3054.61 6872.49 1912.67 1343.27 8058.19 2766.99 3384.98 3120.85 5282.65 4356.59 3246.64 3112.54 2106.3 3459.94 2619.91 2422.97 1025.37 1237.1 2003.2 1131.8 1873.53 2213.44 3183.89 1883.36 1956.63 3403.27 3886.79 2536.36 2458.66 2297.8 2452.04 3391.12 2100.42 2286.71 3237.13 2964.81 3005.68 3038.06 2990.36 2955.56 3022.98 3042.19 3195.27 2955.36 Vinaginsenoside R14 7520.95 5162.2 769.82 1026.94 5055.49 1604.13 2476.86 44468.21 17111.19 14448.58 5630.23 5041.89 4956.95 1084.62 780.97 1054.9 5380.26 1012.55 1420.45 3569.87 25261.27 581.26 899.93 929.43 12897.19 3801.96 4587.43 7515.64 15305.68 769.96 1254.15 18492.14 675.11 26214.05 14276.49 38668.01 19521.79 10338.84 16432.72 11292.46 16318.75 37137.1 29882.08 12581.9 35805.18 28871.06 18422.95 36824 77179.57 49027.29 31100.76 22080.82 41370.81 24062.95 27589.06 11487.96 18982.02 10023.76 14669.69 4829.92 26547.48 15138.91 27645.48 29556.43 15625.14 24240.41 4067.93 16642.25 13476.25 29764.7 7354.61 12681.26 20891.8 30478.57 22482.53 7236.65 12894.32 6168.14 8681.09 8255.74 8561.38 8524.47 6992.61 7897.45 8230.08 5308.63 8087.03 7673.95 7473.72 8348.24 5142.34 7340.95 8081.47 5607.43 6955.66 6558.62 5324.95 5747.9 8443.26 6909.1 21968.58 24659.55 25702.58 25728.79 24777.8 25791.52 25694.41 28463.78 24781.48 (2R)-2-[(2R,3R,4S)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-hydroxyethyl dodecanoate 1645.05 90896.72 47056.88 82001.81 26392.1 38937.43 39559.53 87839.42 83205.26 102573.93 89601.05 63634.8 54629.06 102098.58 83254.25 68309.55 85281.61 79978.29 53975.36 1695.22 61018.25 77404.28 43735.96 72951.85 1722.19 95229.74 107320 72930.88 65919.65 98303.89 78615.12 71939.73 45350.2 78228.82 89764.22 71122.3 95783.12 113188.95 106815.97 118013.55 83190.61 90359.25 94197.38 114567.95 85063.5 77992.95 78597.62 77764.15 58116.63 72240.91 76560.27 79530.9 83351.57 81664.62 65633.03 98131.92 86305.26 114602.67 97122.78 110034.35 108974.95 110301.34 77135.83 69107.26 78295.34 92281.88 111352.87 104446.51 116592.34 79384.48 109831.82 114670.44 96833.78 82937.07 89918.23 63520.33 53452.95 65709.73 59524.87 66090.76 63113.29 62959.0 60952.26 61398.13 63302.41 56681.28 63366.95 66297.96 65112.5 60073.57 51574.39 65082.26 63902.71 62726.36 62915.42 63301.18 64372.38 64847.87 66625.42 61583.27 76235.18 77710.17 75829.97 76235.1 75488.61 75871.92 75713.84 76239.57 76238.1 17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one 1144.23 2563.61 989.36 1933.5 2691.93 7155.65 2588.94 2504.05 1790.5 1267.02 870.36 2035.8 5267.32 1873.61 2716.24 2992.97 1965.75 2910.58 4960.79 1349.28 1956.13 25653.84 1522.87 942.15 1836.78 762.16 562.47 4003.28 2337.05 585.21 843.16 2960.46 1565.5 886.4 855.14 3909.65 2017.33 10462.23 1811.68 3063.66 2507.05 1880.47 916.56 661.14 1160.46 2421.82 1001.17 12515.04 3355.92 2507.19 1639.63 2736.84 3656.28 1028.33 3011.38 2302.06 1475.39 1142.08 6512.22 6045.12 1888.2 686.08 2591.34 2594.18 2030.44 2104.32 2764.5 3119.14 2334.58 4126.39 5223.12 1900.5 2451.61 562.46 1587.24 1874.37 1877.58 1705.05 1899.18 1356.84 1835.13 1839.35 1795.47 1643.27 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 2204.21 778.76 5322.74 1551.36 8865.47 3980.38 3297.37 7027.75 4531.44 1890.05 6978.88 3109.92 444.12 936.47 1361.01 8287.24 715.47 1454.06 874.6 3523.54 2860.33 899.42 454.34 1053.66 7301.12 847.56 1358.62 6271.48 878.41 5664.2 784.38 30004.07 2373.02 7685.89 4132.29 8494.28 8520.18 3945.83 4127.52 2805.69 1779.11 9429.69 2918.27 3047.17 6807.35 5269.36 3962.67 8625.26 9859.36 11239.33 8396.61 3287.06 5331.88 5805.29 5440.96 3079.99 1261.94 675.49 8411.83 1401.49 3382.96 3662.6 3590.18 3699.47 2268.41 12059.53 6888.82 4888.76 1656.99 6316.31 5222.61 6745.61 4712.68 2283.23 1728.8 5937.59 6289.4 6093.02 5997.12 5699.83 6010.26 6294.27 6001.15 7341.56 3a,21-Dihydroxy-5b-pregnane-11,20-dione 8011.1 8512.87 3542.03 745.24 5236.14 9721.37 9942.91 11882.19 9249.75 7806.84 9030.4 10713.46 21513.58 10800.66 9193.07 1147.46 3168.66 15306.49 14734.87 2022.99 9754.66 8654 7842.31 8098.88 759.76 9668.3 3414.93 10085.46 17149.59 2777.86 9442.68 22116.5 5381.03 5423.82 5741.33 13379.58 7903.96 7054.3 6535.2 9331.72 8504.27 14271.51 9594.01 10001.3 11471.49 7573.17 8714.36 14715.57 8924.45 20634.39 16648.34 5731.44 6548.9 17036.19 8024.02 9875.67 3276.24 4809.86 4549.83 2914.09 4242.58 4081.29 6035.3 3648.71 3356.68 8852.86 2968.87 4087.73 7638.33 11664.13 8989 8978.62 5628.32 4335.3 7875.24 10553 10284.72 10247.79 9886.99 10278.81 9852.09 9777.28 10185.03 9604.1 (6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid 158.29 211.77 330.64 16345.23 13925.9 18711.87 29889.38 180.08 106 195.2 168.98 503.03 6629.26 994.05 308.36 1650.14 345.88 177.95 134.94 343.01 207.43 1800.12 113.17 257.91 381.3 162.19 331.75 677.39 309.85 345.96 231.69 552.54 541.69 2274.87 370.67 222.02 124.77 542.28 432.46 383.13 10405.32 2697.06 60.21 74.39 261.37 11182.4 89.4 78.13 388.23 775.2 1299.47 391.45 307.28 2251.05 3300.41 99.51 94.2 72.99 171.76 1772.17 118.84 2728.35 745.01 595.47 153.34 1540.17 94.57 150.29 80 302.19 195.01 281.46 60.45 825.91 2692.12 3615.52 3613.15 3612.16 3626.1 3641.53 3624.76 3641.53 3612.84 3530.29 [(2R,6R)-6-[(7S,10S,12R,13R,17S)-3,12-dihydroxy-10,13-dimethyl-7-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate 2843.26 2304.55 1298.22 2287.21 1558.09 4455.91 649.72 2599.96 690.18 753.3 1691.5 1004.99 952.95 2501.5 1829.4 1374.83 1297.95 1320.43 1609.19 2194.12 1888.74 1077.07 472.02 1691.81 8652.37 1971.98 2738.86 2096.95 2539.62 1155.94 2686.56 2601.6 858.92 1771.68 1536.22 5140.32 2888.2 1896.7 999.1 1800.49 2087.08 4290.55 3608.93 998.64 2863.33 4104.2 4349.65 4050.3 519.62 7672.78 2490.41 2559.08 3092.3 3844.49 5180.36 5112.41 585.38 870.89 1705.06 743.91 3641.13 1746.31 1633.22 3857.74 3009.34 5751.53 978.49 1444.23 1476.25 3315 1358.32 3717.63 2563.65 3031.36 3976.61 3350.11 3181.17 3241.73 3014.57 2980.52 3948 2770.45 3371.07 3316.69 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid 484.47 1143.83 1733.45 1028.66 1141.64 1347.63 1426.43 3414.81 1917.2 1652.24 1017.47 963.92 457.32 981.67 1635.01 362.49 804.8 627.04 2671.65 990.36 912.27 2585.68 1258.37 771.97 1181.61 2118.83 449.72 870.76 598.17 1398.45 974.81 4130.35 366.79 1216.51 4900.19 2233.65 2300.65 3003.22 2579.4 1789.07 4312.07 3652.81 2217.37 864.56 1309.62 4219.59 2610.14 1764.4 1563.48 1567.4 3692.65 1060.5 3784.85 3476.8 2568.61 1881.05 3082.43 3209.35 1776.15 738.49 2836.71 3362.76 687.69 1801.61 2290.74 1747.55 1900.37 2722.87 2831.12 2999.38 2569.91 2858.59 8546.82 2672.59 2075.07 2450.62 2667.19 2995.58 2497.05 2691.38 2646.26 2557.88 2522.05 2505.07 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene 3286.66 2159.47 1848.71 3655.37 3492.92 5030.51 4541.63 2876.29 783.42 2630.16 2052.24 1220.01 2493.62 2086.55 1998.09 2676.59 3036.95 2104.19 2683.09 3213.7 1893.78 1927.46 1667.84 1935.94 3942.29 1826.31 3147.6 2186.67 2269.47 4367.87 1708.92 2796.37 2282.32 1975.73 2747.28 2189.83 3339.03 2318.23 2486.77 2459.04 2927.1 2129.98 2779.02 2415.52 2509.4 2731.92 3272.62 3182.63 2619.96 3641.98 1327.52 2211.59 1898.16 2560.3 2458.01 2674.01 2404.5 2675.71 2817.09 3370.24 3039.2 2981.41 2257.99 2644.34 2833.62 2657.03 1457.74 2523.59 2484.55 2635.38 3125.66 2897.11 1543.84 3494.41 3689.2 3266.86 3303.12 3310.76 3264.75 3264.68 3300.45 3339.71 3266.3 3266.43 methyl (1R,12R,14S,15E)-12-[(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl]-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate 22477.41 22147.26 20039.03 24640.66 16994.69 5064.76 41635.32 18255.3 1948.75 24930.18 13456.32 15969.59 2099.85 21324.85 18517.61 20618.34 19400.56 21322.88 41027.5 3935.84 17290.21 2106.78 14832.94 20473.78 21346.62 30000.58 19159.07 22110.66 20667.53 27249.22 2532.48 4775.67 24014.98 21149.87 26194.12 21601.53 24967.34 23822.94 21518.87 24713.25 19361.47 11458.81 20396.31 24608.02 20822.69 11978.56 14679.43 17271.51 19872.38 17395.75 13963.22 22809.24 10400.9 16580.98 3263.28 24743.39 21731.32 21392.45 20411.45 21584.82 25465.37 22266.05 19156.99 23672.72 17207.16 17796.12 18785.05 18305.94 21104.19 19799.26 20654.49 22414.22 22752.9 23875.3 15973.87 20292.74 20368.14 21818.55 21037.11 19892.2 20327.43 21007.02 24071.75 21017.01 3-(11,12-Dihydroxy-15,19-dotriacontadienyl)-5-methyl-2(5H)-furanone, 9CI 3315.16 2631.32 3663.26 2489.95 3952.15 5000.34 1956.32 2653.62 3504 1724.49 2751.14 4982.96 7798.9 6500.17 6791.23 6197.83 6620.54 9838.52 4609.88 12992.91 5951.38 6647.51 1772.79 1798.46 1860.3 3854.06 3356.98 3171.2 2981.25 2713.58 4938.57 4481.15 4366.15 2856.69 3747.49 4210.48 2785.19 1342.55 3186.45 3604.72 4117.8 2788.22 4791.47 3530.87 3348.37 2992.19 4160.49 4346.8 4445.72 7918.78 2359.88 4743.44 4945.6 5852.17 4282.27 5275.86 2123.32 1846.17 1428.35 3666.73 3038.46 2748.55 2612.7 2761.75 910.82 3522.8 2853.88 2002.76 3571.52 626.18 1932.6 1069.29 2281.93 5221.28 2446.84 3881.36 3880.7 3991.57 3959.79 3919.56 4320.03 4028.94 3990.5 3904.24 (3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside 884.37 792.22 1602.11 1768.98 2070.41 913.71 735.34 964.08 451.9 584.71 728.41 258.55 1074.56 669.14 548.71 1143.87 208.19 276.56 1180.59 774.81 807.17 278.32 294.93 812.69 749.63 452.24 532.17 837.04 264.34 813.69 1263.07 694.25 438.6 209.47 1475.59 544.37 1343.55 2271.82 1310.04 896.18 761.67 1008.38 1077.24 1348.07 2357.07 2097.98 1268.99 1299.37 8096.06 2324.7 2473.13 1032.92 583.01 1770.97 389.95 367.45 432.11 1368.59 537.35 988.95 950.78 1496.94 693.67 584.8 959.2 2384.11 665.12 830.56 566.49 776.22 997.99 2432.25 4372.7 4862.42 6195.21 2275.09 2276.98 2206.12 2295.12 2313.18 2113.08 2171.65 2015.76 1523.96 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one 2368.29 7964.23 3372.59 3535.5 768.74 4014.92 1693.85 840.83 2232.88 749.12 2214.45 604.83 1746.35 4532.81 4469.37 3893.55 3823.02 2335.04 1201.88 828.55 1235.36 940.17 2776.18 1057.54 1818.43 998.56 2358.34 509.82 6098.54 3169.26 4101.26 2297.38 2673.31 3733.02 3548.19 985.1 1184.81 2306 677.83 3188.17 975.53 1742.52 3776.7 1558.46 907.53 2757.8 4411.09 2566.47 1119.55 8108.42 2493.78 6788.02 2973.58 3980.36 740.47 8022.51 3378.45 3011.93 1727.29 2731.97 1076.13 2879.7 3456.36 4946.04 4647.66 1260.83 6245.22 956.69 2270.47 1152.87 3107.53 4043.97 2699.88 6132.48 3428.84 2954.89 3032.06 3025.93 2471.6 3125.23 3132.26 3266.84 3163.27 3021.86 2-[[3,12-dihydroxy-17-(2-methoxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 3372.54 5164.98 3253.8 4503.75 4179.06 5959.55 2750.56 2718.75 3293.15 3209.93 2312.15 3621.14 3570.12 4629.24 4010.22 5933.1 3379.07 3796.82 3772.1 3514.88 3855.47 2243.36 2144.18 2226.84 3038.53 5730.95 3619.59 2614.73 3427.45 4081.68 3287.31 7123.08 3463.93 1778.33 1220.12 2679.59 1958.47 2630.87 998.57 1558.53 2865.26 6195.58 1478.87 3217.16 4225.33 7354.14 3671.72 2966.26 3515.29 4696.6 1692.81 5102.62 1375.54 3347.22 3420.25 2622.69 4425.21 3354.3 2591.34 1461.43 2293.16 1359.89 2748.24 1817.63 2964.84 3254.35 5918.64 2486.11 1199.49 1659.89 3975.01 1322.19 2372.68 5385.47 1272.74 4165.3 3614.64 4101.08 3225.77 4341.89 3832.49 2940.39 4260.62 4119.31 Bipindogulomethyloside 1408.74 7297.17 2939.51 669.25 2399.02 7164.1 5109.15 10180.49 2774.4 1157.32 1056.75 9045.93 12266.22 8108.3 4255.79 5215.99 521.2 3138.68 2636.81 9611.41 5159.04 4827.08 796.57 2287.13 638.18 1925.62 1316.13 3177.45 20114.63 10850.23 1622.85 9669.35 3596.53 3281.32 4428.48 18686.62 5753.53 7838.43 4007.01 3196.87 2919.85 6989.44 7036.52 1337.93 2848.13 2097.23 22207.83 10966.49 9484.04 16322.1 4459.79 3680.13 3164.49 5187.44 3285.95 5197.02 1459.64 905.05 1392.68 1544.14 2217.62 2530.07 3414.17 5832.22 1573.52 9348.9 6494.02 2681.04 3127.7 4177.63 5024.3 7240.63 2983.44 2657.19 2667.4 8222.74 8492.48 3605.83 8211.63 7445.52 8261.59 8441.51 8863.27 7543.09 Acrimarine J 12389.02 10906.66 656.42 573.71 7887.44 6249.18 1668.83 15492.25 15093.08 15980.48 4064.74 8374.01 887.47 5326.16 8069.09 1215.94 2754.4 7644.75 454.37 648.6 11799.14 604.51 2834.61 3573.92 14703.1 10882.96 7895.13 10304.4 17724.95 8819.41 14979.66 9430.86 499.64 6743.7 1360 16066.59 10896.62 5066.94 4738.07 7043.2 11774.11 14293.76 5494.62 5504.17 12090.13 4035.45 15712.94 7997.34 15324.85 10756.73 10037.4 4300.29 4754.57 7771.15 9402.72 5182.14 1863.85 1751.05 15359.48 3825.54 1903.75 3244.53 3526.83 4644.91 5812.57 12454.93 8506.39 11024.32 8871.39 12246.27 12988.4 9516.09 7716.11 4032.62 4136.95 10301.2 9424.41 10549.4 10162.64 10017.62 9952.88 9957.17 10163.75 9964.9 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid 11038.01 3589.65 271481.85 6479.13 218161.11 155796.67 245796.84 258500.96 289039.54 227117.48 7490.76 4130.05 172903.16 183708.24 216809.08 228421.16 232057.43 203618.25 295953.01 199212.78 247930.76 161696.16 276826.06 206428.15 234112.41 223656.81 12734.35 186203.81 213435.64 147370.92 119925.74 233459.21 305193.12 456323.29 406356.86 461793.63 316433.39 47039.94 376117.98 245201.76 88100.24 254967.02 398988.03 175558.68 276632.13 204192.83 368653.95 394967.86 690720.74 304069.35 266207.47 291989.96 359496.39 347115.53 385189.46 296286.51 321561.27 272277.96 233254.49 48060.71 418902.21 308215.32 512689.79 425221.87 235658.62 302098.65 138656.73 376406.59 158085.39 510891.54 436958.44 414530.35 308278.33 318513.47 380786.07 313269.58 309993.68 314483.3 315514.8 313801.44 311807.62 297866.86 316200.97 311805.2 (3b,22a)-12-Oleanene-3,22,24,29-tetrol 3-[arabinosyl-(1->3)-arabinoside] 14383.16 10888.81 10286.67 11598.17 1260.61 4061.75 7931.79 21460.56 11251.99 12865.91 14086.42 9845.19 9059.64 9840.65 6400.7 6035.82 9389.28 3998.7 6703.65 618.13 14588.26 6713.59 1306.38 4645.37 10618.67 10933.02 7566.13 2644.27 923.85 4347.73 14430.48 14288.7 5182.4 8084.64 10248.84 9033.45 7105.66 10255.8 8925.63 9606.3 9172.22 8512.68 9097.8 9215.26 11205.87 6351.59 4392.42 8351.55 11753.49 5042.11 4497.22 7829.8 7150.74 10049.26 13739.52 10088.28 8697.67 8802.14 11188.04 10257.25 8694.73 7173.87 10623.81 11740.83 9497.02 10052.05 9482.41 9798.6 10151.1 12127.15 8879.54 12315.54 6010.6 9563.39 5129.17 9487.03 9703.31 9791.12 10207.47 9387.52 9808.94 9782.06 9388.45 9839.07 (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acid 1819.14 1165.64 1623.56 604.17 2005.17 3489.27 3065.07 2883.32 4015.81 2255.76 575.43 1780.27 2946.39 2654.87 554.47 417.16 626.48 2772.43 511.77 2860.23 4567.12 773.31 778.75 754.49 563.96 1246.1 1339.37 651.28 4446.96 5335.63 4236.64 538.42 1795.04 1835.35 1401.67 6545.18 3049.3 2210.33 1287.52 1012.06 4845.56 4161.7 1991.56 1407.7 3616.42 1729.8 9261.12 2870.74 3246.24 5637.14 2539.9 2842.99 2084.94 2434.23 1745.71 2416.78 405.72 1090.6 1680.97 1409.64 1074.77 688.11 1216.81 1914.98 1246.32 3417.56 3659.21 1449.17 1533.71 4838.53 3104.18 2220.15 1778.91 2533.06 2316.87 3111.03 3109.73 3070.56 3109.78 3078.36 3082.59 3093.81 3151.37 3092.55 (3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-arabinosyl-(1->3)-arabinoside] 3400.78 8015.34 5363.35 6457.6 4267.54 9763.27 13227.19 9839.04 10909.17 7324.6 4637.9 6311.43 1102.84 622.51 3049.98 2501.39 695.22 696.28 4055.24 4152.75 10713.77 5602.75 408.55 5356.95 1085.63 8785.58 3818.53 1219.06 10513.6 3291.34 9840.04 3484.17 10404.35 7864.3 5763.01 14607.37 8437.24 8063.86 5041.78 4709.35 13315.52 9805.89 5146.11 4371.08 10466.17 6937.37 18850.67 8204.53 7349.18 15828.87 7046.45 7009.82 5586.58 5622.14 6138.52 8056.46 4732 3651 6118.27 6381.54 4168.24 5270.38 6821.71 6717.93 2390.56 7830.41 10231.68 4926.36 4651.56 8512 8542.69 7942.47 5682.1 7410.87 8127.68 8844.65 8846.68 9288.25 8925.56 8613.2 8967.56 8884.59 8843.31 8973.29 dXTP 6909.83 1133.06 14763.18 22860.1 9380.09 18626.48 30255.03 1778.2 2114.34 5500.85 8650.77 9799.11 54862.26 17755.61 1928.97 10402.01 10813.36 2423.81 21592.62 1869.26 1904.07 58216.91 22710.08 17227.86 1049.79 6818.43 11704 7856.25 5710.18 59681.74 5955.16 122710.92 1542.98 38798.37 30806.5 1213.66 4662.58 6358.91 24865.03 12438.24 49235.29 13927.98 21834.28 31947.29 1460.19 48575.46 701.14 8362.13 7113.51 11474.56 8031.3 4203.75 24160 34052.9 23205.73 523.32 55282.55 50287.97 2547.06 25212.25 10730.92 17471.16 4329.98 25836.72 468.91 1600.45 5202.64 9017.02 3950.51 730.6 2212.09 41629.69 15287.5 38063.42 30358.43 13693.04 13204.69 14240.86 13295.35 13763.07 13652.05 13758.53 13734.47 10126.41 Gymnemic acid I 11941.78 10384.36 4098.7 5952.3 12492 898.26 19488.84 12520.49 17731.05 15435.62 5568.02 3523.82 1096.83 1206.89 809.54 660.74 443.96 1149.69 1224.6 4212.42 12407.01 1504.6 1354.01 7711.7 10249.97 1068.65 6621.57 16749.12 377.88 2724.66 8855.31 8253.97 14300.67 20741.16 14005.63 8320.63 17520.12 22132.09 15578.9 11306.79 42200.93 32567.68 9271.42 9478.91 30942.27 9630.63 6985.69 3304.82 2932.61 7865.46 14564.07 22830.2 11507.82 7759.44 15444.84 15774.43 9100.82 4618.91 16672.44 8485.94 10625.72 14323.21 12587.73 12770.88 4576.98 20859.93 14624.45 9323.23 8488.32 20827.66 12797.65 25566.26 11824.97 8635.61 13715.6 16097.39 16008.36 15101.29 16009.13 15748.56 15475.19 16017.08 13242.35 15751.12 Debromoaplysiatoxin 559273.65 264486.3 210613.17 210907.82 1407776.16 731901.98 242248.9 506683.65 684770.46 630151.85 333152.24 706313.5 552581.44 355457.77 701668.11 567991.07 179066.79 786019.64 1075602.03 193137.17 609280.38 262639.24 328235.45 594739.85 738304.31 591367.43 538037.05 233648.72 490828.13 123563.72 478322.74 1264193.86 303773.76 855384.68 534431.43 400365.06 521622.52 233887.54 198191.22 243951.51 187263.15 861776.46 380544.04 273501.88 1115849.99 578789.36 318663.25 340116.57 567243.06 923411.94 829525.75 632169.15 651218.98 659855.75 793857.53 820043.72 230254.04 258374.59 839145.38 623258.46 340760.67 571972.36 778027.72 462324.12 170229.33 963930.87 938060.68 483737.78 376968.14 464574.15 325065.37 707806.76 398275.09 390223.96 485893.38 570078.33 568580.4 571361.05 568574.43 574798.14 565999.26 570086.42 569339.76 570081.66 Amikacin sulfate 15.16 2.4 2.13 2.13 2.13 2.13 40.39 2.27 2.54 2.75 2.36 2.13 2.13 2.13 2.6 2.13 2.13 2.13 2.13 2.13 2.43 2.13 2.7 2.46 2.49 2.13 2.31 2.53 2.59 2.75 2.13 2.13 2.13 2.55 2.71 2.39 2.35 2.62 2.49 13.1 2.85 13.05 2.45 13.16 3.16 2.65 2.59 17.11 2915.67 217.16 144.25 118.68 110.95 116.64 115.96 109.9 101.39 76.95 82.42 86.09 67.33 111.95 52.39 45.5 40.52 2.8 48.38 17.18 65.73 2.67 16.72 16.66 845.16 1934.64 488.47 109.42 100.3 104.55 104.06 97.65 97.92 96.66 100.65 102.48 Armillane 13208.28 10602.7 10240.59 9614.38 5951.04 7827.43 8498.04 3538.12 3576.95 9829.4 5690.75 5671.03 3776.1 7435.88 5767.75 6218.55 4336.59 7437.4 5875.36 5348.24 4374.49 17478.32 12628.04 7168.4 12454.77 13288.62 6744.64 8097.43 9245.92 8275.12 6581.41 6544.04 11417.59 15359.32 8251.28 3730.22 13075.62 26547.69 11634.66 16436.61 2871.24 4162.58 8253.16 7583.94 2991.61 5093.91 1433.73 4316.37 2747.75 5358.02 8430.78 13963.21 7399.43 4905.98 1741.68 8101.34 6880.55 7654.47 8886.01 9787.08 14542.44 10631.45 7300.18 7863.85 7330.86 6450.11 2161.88 8573.81 4320.49 4685.95 11811.03 10740.19 11846.65 9269.92 5152.66 6240.8 6258.5 6551.59 6550.54 6165.08 6236.86 6165.04 6513.93 6581.21 Pyridostigmine bromide 1609.85 692.62 1806.22 1704.66 1850.17 803.14 2374.65 1863.14 1683.88 1079.11 1622.29 776.86 980.98 1851.01 872.88 1711.2 1235.83 1602.42 580.84 713.61 2400.81 745.73 1454.96 1391.67 1724.48 735.42 559.24 1366.01 728.36 1344.68 1323.23 1161.43 786.39 1661.56 1828.31 1059.02 1386.81 915.39 1727.24 1390.02 604.8 769.98 1588.19 2101.14 1458.74 2159.08 1239.35 796.07 1349.32 1192.49 1481.46 2299.98 993.52 2169.46 1140.49 1816.58 1303.44 908.25 619.54 2235.42 2124.27 2388.52 2061.79 2635.94 2477.03 1528.54 1235.97 2271.71 853.46 2107.47 1705.7 1517.37 2480.41 2773.61 2835.23 1784.25 1780.21 1693.59 1762.81 1780.4 1677.36 1516.15 1705 1808.42 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)- 531.37 851.43 1940.95 689.98 1410.82 1188.61 1299.73 873.94 1082.1 1162.52 1767.85 1496.32 8857.98 3924.02 1784.89 2027.6 1349.14 691.19 4439.6 745.42 2662.31 1944.51 3012.16 1649.68 1235.8 407.49 993.87 613.79 1288.61 4455.1 595.18 1474.76 1776.98 702.24 1725.15 2103.51 1141.59 496.22 1942.5 1827.28 3040.96 2734.34 817.2 4947.51 528.26 1089.11 399.33 4078.51 7193.13 3425.18 1188.48 2326.92 2764.2 527.87 1076.55 2304.18 698.75 557.09 1629.33 1700.7 1952.42 6763.37 631.53 2223.1 456.58 520.74 1146.15 2426.23 2865.59 2546.34 1169.34 2090.59 837.08 1445.32 1406.17 2124.62 2063.75 2060.01 2236.18 2121.95 2056.88 1928.52 2116.72 2120.71 (R)-2-Amino-3-(4-cyanophenyl)propanoic acid 5960.64 1500.22 6851.74 6373.86 2564.83 443.97 1137.5 2725.12 938.97 1985.76 5367.7 646.38 3263.8 5807.92 2534.52 1376.82 2323.44 2560.97 2451.53 1525.14 2315.02 2204.36 5357.76 6462.19 1427.44 2469.26 3317.87 4471.66 1362.31 1481.75 1608.77 1002.25 1795.41 5898.67 6025.75 1494.44 5880.71 1745.38 12299.81 2733.21 1775.47 1731.79 4001.6 7735.83 1353.63 9741.27 706.26 2448.61 1607.35 937.81 6675.43 7714.56 6992 6598.86 6833.59 1789.81 5306.87 4311.37 1216.48 3130.27 5644.29 5339 8589.53 3238.91 2588.42 5883.28 2161.88 1904.9 2530.55 5393.81 2061.91 2433.74 9740.84 5890.34 8503.83 3130.36 3496.93 3283.22 3337.57 2299.71 3344.5 3294.96 3326.66 3174.03 Tipiracil hydrochloride 2320.32 1165.02 1979.16 2079.09 677.74 5199.02 3579.84 2272.45 1678.41 2792.31 614.07 986.14 2409.75 536.93 2135.73 3245.56 1451.06 3017.35 3398.87 3255.91 3147.37 2085.26 792.33 1318.6 1094.07 1644.96 2293.32 1540.04 792.27 697.68 2587.88 5214.74 818.53 3016.89 2764.98 2304.94 585.68 5841.52 2999.16 1020.82 5592.47 4506.99 2389.96 1734.9 4911.85 1520.04 2343.08 2350.48 2066.59 1348.16 2278.67 725.08 519.92 4111.48 1629.79 1512.46 3069.59 2614.59 820.29 3470.12 4373.44 1821.05 2950.47 3597.36 2908.52 6160.11 3957.22 1195.05 3715.32 579.55 567.47 2368.97 2460.22 4186.89 500.34 2165.92 2224.6 2178.8 2053.16 2364.07 2378.13 2407.68 2335.19 2406.86 Pyrido[2,3-d]pyrimidin-7(8H)-one,2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl- 431.43 885.63 566.18 1053.43 898.21 654.13 1012.87 580.71 850.55 572.45 522.69 599.4 807.99 838.44 951.15 597.84 548.46 1421.97 585.22 571 633.28 603.01 1178.44 652.27 538.72 714.62 681.95 958.98 633.86 672.58 2074.7 689.27 442.31 872.21 557.13 690.96 719.07 688.65 328.44 712.27 711.45 663.18 511.96 717.72 691.55 2342.59 909.78 353.67 678 939.95 784.49 456.98 412.37 349.13 870.18 812.55 531.69 456.3 345.24 964.69 468.25 428.46 694.24 605.81 980.53 903.1 1265.32 347 525.72 566.84 526.18 594.76 688.43 743.7 545.89 1054.75 1058.37 1172.22 656.61 1025.17 1171.96 1145.74 1117.24 1287.64 Piperazine phosphate 10948.58 10232.79 9954.63 8897.93 10392.67 11419.74 5755.4 9646.78 8526.51 6577.38 14002.91 7235.04 1580.96 7010.02 15470 9373.31 10254.66 10481.95 6529.54 15563.1 7745.47 2936.8 4358.72 7750.68 9566.38 6573.61 4957.08 6027.33 7721.74 7314.67 12425.34 904 7970.23 6063.21 9510.15 4758.87 15727.48 15659.23 8936.43 10055.69 1231.38 5955.02 8604.02 10967.09 8140.33 6128.06 10240.33 7900.91 11918.71 11047.05 14571.07 15700.98 7085.46 12495.04 5869.67 14863.76 4429.2 3837.19 11784.16 14823 11923.85 8153.56 23519.33 10751.01 17701.07 10735.72 13474.11 5703.47 9355.84 14950.16 17861.53 5719.78 24238.93 14107.47 9839.9 8008.76 7432.6 7367.53 7623.94 7377 8277.37 5563.56 7581.71 7670.2 Sodium phenylbutyrate 2402.79 1503.23 1777.59 1643.64 1517.98 1563.62 1589.29 807.1 697.44 844.11 712.79 1463.57 900.74 1846.48 843.57 2043.33 1503.01 1237.19 1090 1587.89 764.9 964.14 762.46 1828.73 887.28 1138.46 1435.18 1475.68 1703.56 1624.12 1640.67 2147.34 959.63 1266.53 2652.66 1257.11 1044.63 1462.58 1398.88 1417.83 1271.83 1533.5 1240.82 1284.45 1241.15 1414.46 1886.6 1332.23 1409.21 1074.34 1354.43 1235.68 963.87 1225.7 1203.16 1469.51 1194.72 1162.3 2095.56 1577.82 1244.22 1464.15 1612 1453.51 1589.44 1755.31 1108.39 1252.6 1408.9 1171.25 1394.05 1426.7 1528.07 1250.23 1188.34 1389.76 1420.61 1420.06 1388.88 1405.76 1409.77 1389.36 1392 1420.09 (1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one 4538.19 10967.19 18068.22 5744.41 812.48 4289.44 4621.16 3127.36 3676.01 1844.45 3418.39 1977.47 1717.67 6467.03 7423.89 2836.18 16284.02 3756.94 2213.42 2050.59 1990.38 904.98 2853.88 5796.73 2643.98 2400.76 4996.59 1963.73 1663.77 4075.55 6038.38 4637.78 818.39 1752.5 2640.67 3667.39 2439.84 879.92 6016.18 6885.61 1245.82 824.42 10526.27 13912.94 1876.35 1062.75 2975.91 2965.44 1055.07 1832.5 2596.53 4072.19 3657.61 3010.45 10683.44 10916.62 19228.31 12428.95 2862.12 3028.45 6683 5139.26 12446.77 2833.17 3281.2 8405.82 1632.37 8883.09 9174.25 3260.97 3121.8 7359.79 2094.27 6382.27 6652.26 2538.96 2334.08 2354.6 1932.31 2560.25 2395.67 2765.68 2378.32 2866.83 Alprenolol hydrochloride 909.89 718.13 953.65 2535.35 1270.15 2630.88 826.01 2837.95 5880.64 555.05 2213.66 2895.34 954.37 2427.22 903.38 4023.58 1980.03 697.3 4951.45 1728.51 3681.42 1300.44 724.16 1933.94 2383.4 3323.52 1308.19 1510.64 2715.03 4105.89 990.58 1304.77 1928.12 1653.84 1392.59 1618.88 5105.9 2034.38 567.65 610.39 1304.69 3353 1604.62 1981.22 1881.87 1520.43 5892.16 4225.43 703.12 2328.47 2060.97 2401.21 1453.94 1306.78 2176.57 1914.45 821.82 1224.92 2872.82 1645.65 410.79 3230.01 1579.33 897.69 1801.73 3157.81 4530.25 2477.36 916.43 2340.79 2254.16 1117.38 752.74 1389.66 2147.42 2897.53 2835.18 3080.55 2810.23 2573.35 3039.69 2580.69 3167.44 3191.19 [Ile3] Pressinoic Acid 1446.97 2108.95 357.74 1220.33 2215.83 3979.47 698.22 1044.67 3307.83 2562.98 1122.83 1085.92 2292.16 2098.79 630.56 1719.22 671.68 3390.72 2237.7 10300.78 2442.05 2067.47 1690.72 1919.34 662.29 2374.1 382.93 1746.87 2839.63 1675.14 3346.66 4011.88 1380.11 1583.57 2988.88 2387.58 3888.84 2115.27 1452.38 3153 3289.37 4338.63 2319.2 1755.31 4551.82 601.7 3134.05 4126.61 1829.2 4663.96 793.84 933.81 1808.49 1403.04 1925.87 2363.16 1087.74 2704.95 1925.01 3870.64 949.94 1119.97 2392.49 2479.66 3611.95 1298.8 7321.76 1497.64 1699.56 1949.24 4162.7 2192.31 403.22 4094.55 1304.66 3190.61 2708.95 3053.79 3084.5 3266.18 2850.74 2689.43 2847.35 2689.67 Dephospho-CoA 1809.1 1457.67 882.11 1632.89 2460.27 1972.76 437.7 2065.91 1926.74 2053.92 1220.03 1324.57 12652.46 966.15 11086 1160.15 468.79 1904.8 3037.38 1738.63 813.83 707.4 3620.39 1287.18 2201.16 1032.16 1305.62 860.18 545.35 1050.88 1273.15 2518.3 387.09 1064.73 1562.59 3026.23 3714.88 3064 2182.48 3999.74 2361.47 2534.57 1051.55 2140.21 2377.46 3087.72 3129.94 2913.41 3144.14 2577.23 2413.6 990.23 1439.42 1622.73 3612.27 2173.93 659.31 781.14 2686.83 1170.73 1896.03 1094.01 2552.99 900.14 1941.16 1802.84 2496.38 2436.41 2401.73 1869.54 1997.62 2658.7 2484.03 3003.56 2363.11 3044.24 2987.41 3000.89 3031.79 3124.06 3054.06 2980.78 2661.23 3053.67 2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one 1119.89 1179.84 3947.88 1446.62 940.18 1793.75 6508.26 1784.97 2597.73 2454.21 1328.59 2525.63 5766.68 903.41 545.85 5053.19 1376.15 1044.1 1554.44 414.45 680.51 1900.78 2475.93 3355.48 1218.27 1331.13 745.91 3499.21 1029.39 842.2 1342.57 1484.73 860.28 4271.82 1551.74 1928.55 1580.25 1405.36 3104.66 4219.94 1057.7 1668.7 3151.35 1013.76 1399.15 3379.07 3651.45 1413.83 2429.76 1415.84 1978.67 3480.44 3965.97 4175.9 1332.74 1316.28 2902.54 2788.57 1098.37 470.27 2286.24 3316.34 1470.36 4254.36 1659.95 608.52 1333.56 2765.38 1790.24 796.78 2893.83 610.57 2789.04 4560.84 4508.09 2232.34 2092.5 2105.11 2190.25 2233.17 2079.23 2087.31 2247.42 1259.56 Proadifen hydrochloride 6359.9 4062.13 49567.95 11263.02 18048.56 23724.87 30376.89 13945.82 20871.33 10203.45 5505.82 12507.19 25105.77 5554.78 4295.61 62141.94 10911.1 4327.63 5492.38 3829.38 11231.59 6974.97 3646.05 5763.09 2097.81 11314.64 3628.95 5544.27 4322.33 7259.7 2745.14 4142.35 14287.21 16190.35 7937.86 6979.62 9020.53 10454.61 8023.62 9738.17 8701.47 10532.67 8634.44 10362.07 7907.81 12980.23 12454.22 10273.63 1584.5 19836.65 8685.99 11843.89 11149.96 12804.01 10185.16 14877.71 30130.04 7860.38 9629.38 19022.76 8449.91 11666.93 7226.83 15416.51 4911.62 12823.27 13611.39 7240.13 13180.48 11424.21 14240.28 16506.55 9586.91 6739.41 12835.44 14580.75 14307.93 13951.09 13930.52 14288.97 13160.53 13968.17 14307.92 14303.29 3-Hydroxy-3-(trifluoromethyl)piperazin-2-one 1841.7 12475.18 4666.13 3215.95 2607.88 1782.46 918.28 668.43 966.96 3152.84 1109.44 2942.54 2735.75 3157.47 1656.55 3117.66 2401.78 1725.52 1541.53 1810.61 3915.18 2493.75 1061.44 2074.84 2745.33 2406.04 2451.77 3043.9 3195.38 2787.03 2565.8 2348.69 2374.04 5775.74 2034.58 2732.5 2702.72 1902.44 2715.13 2303.28 5602.2 2735.83 4098.54 11796.99 3063.58 3258.84 5370.64 1728.6 2654.16 2224.25 2377.94 2250.05 2609.01 4806.44 5453.44 4649.77 2232.44 2602.07 2480.37 5285.76 1981.57 2057.77 6730.65 3177.04 1886.58 4971.77 3325.38 2487.93 2711.27 1918.03 2370.92 3606.42 4736.26 2632.89 4311.88 2882.15 3336.27 3899.01 4164.09 3666.63 2719.26 3156.23 3520.1 2894.67 3243.98 3431.71 3655.61 4080.3 5458.14 3783.76 2920.31 2919.18 3195.95 2838.74 3694.17 3439.9 4215.14 3437.03 2925.06 3221.74 5401.24 8014.43 5589.14 5724.34 4742.7 5506.82 6205.68 6459.66 5604.47 N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide 811.89 13485.57 2132.37 7141.1 11938.22 7483.65 704.49 11502.73 7953.38 8541.04 3779.84 14015.73 10258.92 4779.33 32225.31 13880.49 1832.08 16106.42 21339.67 4440.64 6421.76 33396.41 7504.75 15254.89 16202.44 4694.46 10852.72 10850.8 21403.28 8726.93 13537.99 22013.63 25294.03 2125.64 6557.12 6613.22 5490.71 7612.57 8679.83 5977.56 5877.26 13683.69 10434.46 5770.99 20160.95 6844.98 10304.03 16782.82 5243.83 15660.34 5880.61 13627.05 8982.17 3817.84 7079.62 18329.58 1094.11 4875.46 16377.16 10768.48 7244.05 9078.72 6483.23 8945.66 6561.93 15615.23 12954.32 4702.88 7470.54 15200.52 10125.37 12686.06 9048.25 9532.97 1753.55 12869.46 11809.69 12159.22 12307.06 12323.44 9963.72 12086.66 12290.46 11882.98 Lidocaine hydrochloride 5582.55 3584.66 1060.64 4552.65 6916.23 1682.09 5532.14 9260.37 8903.06 6635.4 4495.48 3706.57 4719.56 3689.56 4258.53 4390.54 4251.15 2960.98 5667.86 6740.77 5430.51 2134.99 1016.02 7791.4 5150.68 4555.09 2574.54 3261.78 12516.39 3705.82 7567.47 24654.31 1088.89 8252.9 734.75 4410.83 6558.62 3905.79 5795.76 5071.54 5270.28 8392.39 5878.38 1308.29 8594.54 3643.99 7663.23 7958.35 9254.25 12767.38 5141.29 1859.52 3387.29 3392.17 2589.68 6089.14 1022.67 2377.34 1797.09 3735 3407.7 4831.56 6578.32 3703.44 2739.23 9040.36 7794.77 4622.02 4128.89 6894.2 5353.33 2066.09 3889.02 4444.59 4953.06 4020.81 4128.44 4179.64 3798.77 4209.49 4186.01 2143.78 3662.8 3906.21 1-Octen-3-yl primeveroside 3417.1 5841.75 1571.11 1522.03 6959.09 15732.37 3474.94 3018.79 6432.67 3364.38 458.08 741.12 870.19 893.98 4488.54 4683.4 2658.63 4076.27 2571.19 8026.74 7355.06 2471.64 1169.04 502.33 1622.16 8522.17 2772.2 890.04 5588.76 1632.1 3862.99 2011.4 4661.16 5874.43 1117.38 3641.18 6142.27 3745.94 485.23 637.2 5583.3 8743.93 1462.49 1079.98 5761.8 1928.75 4317.78 2316.69 1824.1 3471.99 2998.28 8759.48 2604.53 3982.82 3219.8 6697.02 1569.13 1527.42 6191.71 2936.04 1214.71 2378.62 2945.82 2810.7 1502.22 6685.65 8854.66 1303.45 654.36 6711.95 7109.16 1248.94 1441.98 1537.41 1572.96 3977.76 3693.32 3949.68 4255.76 3858.47 3122.1 3924.48 3632.07 3631.65 Demeton-O 4649.35 4433.16 2533.66 591.41 1814.38 2066.6 2209.64 4776.39 2933.18 3568.65 5067.15 1982.59 1955.43 2873.53 5924.99 1468.56 1596.41 5076.22 2033.66 3374.67 1991.87 2794.4 2116.52 3009.62 802.33 3333.97 3376.41 4064.71 3582.85 2563 1914.23 1729.32 5234.75 2147.23 1188.42 2567.22 4191.76 5536.26 2393.87 3891.51 597.01 4643.38 2019.16 3396.51 3306.48 2149.41 4065.38 4282.94 4760.11 4304.75 3276.37 5270.38 2899.4 2375.82 2742.77 5219.35 916.48 2461.41 4790.08 3521.78 3500.29 2932.83 4928.89 1515.86 2668.69 4849.1 2659.4 2833.63 4223.54 4259.89 6569.84 1100.25 5115.14 2605.87 570.61 3021.58 2861.21 2891.59 2825.99 2861.2 3006.12 2874.46 2207.79 3159.04 [4-Amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone 1510.65 1524.57 1619.8 1387.19 1445.22 1823.59 732.04 3017.67 2114.48 3621.14 1864.69 2590.11 818.86 1366.86 2185.48 677.69 2397.02 1707.69 980.7 800.06 2438.43 1750.82 1597 2174.76 2065.72 1695.01 2111.41 3199.38 1488.11 2015.16 678.5 1900.75 1299.39 2018.59 2437.37 2284.4 2159.57 1990.07 2354.74 2513.72 3884.89 1830.25 3870.99 2259.4 2812.16 1848.65 3445.22 3332.41 1565.46 1502.31 3077.5 2187.58 2974.1 2553.17 2355.03 1965.52 3045.06 2621.36 3244.1 2366.76 1571.64 1599.29 2025.69 2000.31 2163.25 2478.48 3394.64 1938.48 1640.37 3121.09 3449.22 2418.2 2458.35 2716.56 2068.64 2647.09 2522.36 2656.02 2644.03 2628.31 2964.65 2640.22 2509.4 1648.03 Ser-Leu-Ile-Gly-Lys-Val-amide 1007.47 15053.38 443.63 17145.21 25537.45 5576.91 28272.02 26665.32 32212.17 25635.35 498.92 12448.36 1280.66 1246.77 1925.41 569.52 9611.17 7231.53 2710.65 989.68 21527.09 2126.92 2980.79 6811.6 11340.56 10465.08 12088.47 10016.13 1038.82 5435.85 14036.47 20738.61 1742.72 27723.55 18389.53 4381.16 22250.79 26559.19 18047.87 14982.82 44123.91 29364.94 14188.3 15217.43 30514.35 18581.82 3154.25 2715.26 4097.76 3056.05 25353.71 25202.46 15573.3 19863.96 18633.2 25582.07 12213.04 11649.69 18020.17 22933.15 15527.44 15486.61 20639.12 15131.51 9157.37 25470.24 31563.45 13670.74 13998.47 21439.12 19226.82 27718.86 17104.34 17513.21 17701.65 22090.55 22688.3 22100.68 22081.04 21978.89 22260.45 22097.28 22264.92 22215.97 (3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid 1332.05 976.64 834.54 552.56 625.45 1998.55 792.42 2626.12 502.09 895.34 994.72 1375.5 778.96 344.37 3406.12 1151.58 694.87 1292.61 415.34 2918.13 2139.76 1406.3 637.82 660.52 1579.78 2612.58 670.68 725.64 2449.37 1192.26 987.25 1252.1 1103.73 456.82 961.25 1725.77 2017.3 1228.9 1275.46 915.32 2435.32 3880.75 774.85 454.14 1007.27 1092 1344.63 1663.8 591.24 2658.12 2078.36 1809.04 758.58 777.26 2205.66 790.21 746.47 622.29 1593.28 1150.19 537.67 782.52 1411.97 974.5 410.76 1972.36 1189.63 652.85 1371.46 2284.91 1712.67 811.98 1107.48 444.3 458.45 1764.91 1464.27 1353.62 1535.75 1483.73 1452.13 1435.85 1598.68 1625.49 Metaraminol bitartrate 5784.92 33459.61 12506.57 17968.97 19324.58 12889.08 10423.63 4441.42 25086.64 23110.25 26657.18 17724.83 2832.19 29464.19 31976.11 30419.79 23128.07 31257.55 6927.15 17625.12 39296.77 14889.04 12592.4 22144.39 18028.07 33107.13 22998.24 22125.5 5504.73 6679.67 18834.64 22130.61 17597.97 3843.3 20038.26 9510.51 31580.93 3917.91 19556.28 8459.47 10474.19 30747.08 19215.56 20935.71 27536.88 16965.8 33004.27 24574.34 10021.95 26164.58 18386.29 12570.24 29165.48 20194.98 8110.07 34192.96 13139.38 14989.71 37424.39 28867.91 16407.9 3107.44 29702.86 26683.7 27614.37 7152.52 48094.24 23257.99 23814.02 29595.26 10753.92 21476.02 26808.4 9897.72 26830.76 21429.15 15022.42 34128.42 20624.32 21237.91 23820.3 24883.21 20550.19 20128.13 20789.03 17963.54 20830.39 23603.95 20514.89 20892.73 15463.12 26285.2 23446.75 24186.96 20526.52 34123.55 20523.32 24905.1 28538.06 21763.67 18191.37 19611.2 18090.97 17991.36 18247.07 18759.85 19663.5 18533.26 15521.01 Sunitinib malate 395.06 589.86 601.11 2151.51 910.98 408.56 203.81 706.62 627.13 567.26 656.05 566.47 410.17 225.05 431.1 176.86 2074.44 455.66 583.88 225.43 423.01 503.53 562.7 820.8 288.57 190.58 330.07 318.38 279.3 685.19 457.05 480.64 497.34 198.86 1534.02 819.23 1235.03 504.96 2522.56 1190.15 222.15 1031.42 1210.47 4100.56 967.6 1053.56 286.2 334.23 1292.79 1083.22 1372.55 1008.32 2342.29 284.72 2917.66 872.27 1487.9 318.66 2962.94 673.8 1450.17 2277.6 1434.87 1017.5 1293.32 218.95 1253.52 1738.2 2047.84 323.33 690.03 426.2 348.74 1081.22 544.08 1674.49 1769.33 1910.95 1539.81 1730.87 1792.38 1870.26 1528.48 1872.27 Bromhexine hydrochloride 5874.52 1401.04 6058.2 5043.67 5935.95 3555.85 3934.4 6847.07 4913.23 5043.79 1989.77 2500.82 1196.97 4614.42 4319 4985.17 3834.19 4960.49 6044.65 3827.89 3432.16 2124.15 3492.39 5859.13 6075.91 6829.27 5729.97 6540.62 6555.04 752.1 5890 4887.99 2996.4 4366.14 4389.91 4432.15 5728.44 3148.9 6854.94 881.11 3763.34 4240.76 5876.53 5150.96 5135.86 2733.39 3512.62 6400 3920.75 3855.34 4829.88 4501.32 5199.23 4557.52 4723.12 4137.21 3758.77 3345.42 4570.58 2995.36 6022.82 5080.88 4559.63 3484.44 5619.27 3725.28 4775.71 5147.1 9997.11 5285.97 4606.76 4011.55 3974.73 3728.21 5414.82 4783.99 4792.53 4940.82 4818.03 4697.7 5231.15 4856.74 4932.34 4784.46 Adpbetas 14737.1 13059.86 15055.41 12654.62 16612.32 11058.69 12563.96 14476.74 12047.2 20361.96 9872.65 14395.35 19160.94 16860.92 14673.66 12283.87 13629.94 14216.44 18684.46 12355.56 11775.8 10296.83 15626.8 15398.93 16872.02 11890.58 15841.53 15213.07 16804.22 12301.62 12147.33 14495.82 12335.23 14345.09 12227.22 15635.93 13487.41 6940.04 17728.25 19751.56 13910.4 15981.01 17426.67 14436.41 16634.9 15538.29 16834.93 17759.61 11505.22 12321.16 14559.45 12127.71 15701.02 9228.78 17161.66 17278.48 14738.47 10811.2 13434.01 9657.65 16882.1 20391.46 14988.3 6906 8784.13 19217.85 11131.58 17185.49 16671.41 6670.28 12708.37 13103.33 5925.85 12727.16 10951.47 14372.49 14353.56 14605.04 14668.59 14612.55 14916.88 14363.92 14667.15 13484.13 [(6S,9R,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate 4342.44 3820.16 2976.02 6532.22 3148.62 3342.37 5108.13 2161.97 1557.36 3935.38 1886.49 4068.66 572.59 4849.25 3889.78 2160.06 5665.73 3509.85 2464.56 3078.71 2487.04 6087.53 1802.44 4614.21 5033.32 4430.28 6340.68 1174.06 4633.66 1114.98 3538.12 2924.19 3163.97 2375.34 2013.33 4483.28 5418.97 3986.49 7060.03 2472.99 3168.76 1896.75 4207.27 4980.2 1598.6 1930.04 2315.04 2369.15 4271.86 613.63 1427.24 2806.98 5441.02 4289.17 4460.11 3553.34 4984.4 3714.18 7036.24 3507.95 2871.69 3078.26 4467.45 4991.23 2734.95 3069.02 1477.61 4204.34 4362.65 4095.71 3958.16 2587.68 2679.94 2141.2 2980.92 3524.87 3389.93 2563.62 3309.68 3509.98 3503.75 3333.63 3312.88 3405.35 Glycerol 1-propanoate diacetate 3583.45 3936.84 5352.35 3825.37 3292.72 3209.09 2472.1 2848.27 4327.46 2306.06 1921.99 2857.96 959.24 3381.65 925.34 3485.88 2727.22 1130.25 3362.62 3272.21 1841.25 823.52 2247.41 4297.61 4656.81 5488.75 4692.79 5144.96 5492.95 4115.48 3649.95 4826.72 1320.75 2824.33 5081.83 1598.12 1259.93 2342.24 3655.14 2116.64 2625.83 1366.59 2360.6 3563.16 2446.45 3618.68 2960.13 2832.25 1562.66 2584.47 3513.75 2114.81 4202.5 2150.36 1582.82 1603.18 3096.25 2442.99 2143.66 2274.35 3179.27 2318.16 2429.03 2029.76 1716.03 2593.28 2509.75 2485.08 2370.02 2678.39 4889.13 2426.56 3041.42 2550.22 3127.88 3590.56 3565.91 3499.77 3599.23 3530.77 3442.08 2927.86 3556.01 3578.93 3-Methyloxindole 5846.44 14142.17 1552.03 1560.98 3494.59 9929.47 20251.22 30204.68 15180.58 9579.12 11437.13 90230.47 15154.31 11423.53 16881.52 40935.17 14894.19 7094.06 114696.88 71118.67 9032.15 1577.11 9078.09 15443.78 22060.28 4788.96 13853.53 23950.14 16514.9 4990.74 9076.52 104560.24 26592.84 2083.47 6858.52 37164.95 5453.13 1000.21 16404.91 6033.06 8858.53 17326.95 22028.17 6871.36 7752.73 3822.23 44375.86 54832.04 102646.02 15756.19 8278.47 5358.66 5569.45 5243.26 10609.18 16049.12 2434.86 3738.03 15343.43 16403.86 28276.21 11984.01 11448.68 6585.46 7444.66 19826.22 9296.47 22688.82 8578.5 15752.81 12234.12 9496.28 3225.72 9302.36 8391.07 20280.8 20320.19 20193.85 20367.42 20282.82 20368.55 20279.1 20287.78 20509.8 1-Deoxyvaleric-acid 2508.44 5834.94 5076.22 5400.22 3421.48 7819.65 6692.49 5991.24 3529.93 5426.43 9665.62 4558.33 4926.37 6336.29 5413.69 6402.68 7441.99 6705.3 11969.95 7705.32 5968.54 8071.84 7124.37 5795.91 1886.92 5245.31 7001.38 6944.05 3481.07 4528.37 7475.92 5388.99 6682.28 7595.12 6183.01 6432.9 5382.5 7260.47 5558.83 7592.95 4019.68 4833.6 8300.56 6373.31 4786.29 8474.56 5883.62 6250.55 5071.05 9354.84 4961.88 8351.58 6472.72 11652.89 5729.53 7784.59 6999.64 8604.42 6247.53 5838.25 7295.39 5638.18 5797.42 6237.74 7671.27 5023.77 10649.35 6212.83 6964.25 3972.33 5097.53 7750.13 5407.24 7082.24 5629.35 6722.59 4978.69 6282.52 6438.35 5870.09 5926.11 6280.35 4138.13 4202.99 5974.21 3085.8 5082.09 4657.01 3799.89 4477.04 3378.54 4897.81 4372.89 4376.39 4818.74 3819.52 4640.5 4562.24 4357.25 2484.61 6413.44 6527.9 7290.16 6461.46 6664.59 7002.34 6409.49 6466.53 6660.19 4-aminobenzoate 5026.62 6275.46 17419.1 7742.17 1598.65 18149.56 5672.8 5699.63 4358.35 11095.25 8390.73 7112.01 9271.33 15957.22 6081.97 9393.15 4634.61 4901.97 11045.64 3019.12 434.26 9500.78 31828.44 14874.76 796.6 652.8 5418.62 6995.65 6918.34 5751.52 3407.86 7660.1 5052.02 18825.92 11164.21 6674.79 5647.44 7235.04 16248.11 10246.26 1927.96 11070.38 19186.02 13016.29 3550.67 4942.42 2376.03 8919.2 5528.36 5759.67 8425.87 11899.93 19813.4 6917.66 3976.79 11580.57 8926.51 20147.74 1782.74 4283.11 13660.77 23453.61 7273.23 13542.52 6603.04 7108.09 2241.67 6461.87 5590.06 1084.82 1232.34 13627.61 6723.65 13192.28 6764.82 8810.16 8809.47 8759.73 8860.44 8762.26 8809.24 8761.21 8792.68 8703.39 DL-Citrulline 7934.58 8830.03 55204.34 37966.6 15065.51 7487.74 41846.81 17860.83 12202.56 9965.08 21473.22 4152.8 15940.87 28781.16 10564.82 12322.22 16474.27 14532.98 4949.01 13884.34 32775.1 3020.35 17145.89 15851.98 15726.23 8534.44 10053.45 12124.73 7696.54 13839.91 25591.49 6111.86 3717.6 7410.39 21089.84 10162.75 14196.08 1314.43 18789.5 39402.54 7828.59 5493.45 22749.46 12463.14 6610.37 80567.79 7435.29 6272.53 14991.56 9384.34 9604.16 9506.63 30550.11 43459.58 12817.91 8257 9476.34 40694.88 8244.75 11318.19 25855.63 9626.03 14096.05 7809.26 9735.21 3363.04 9558.91 17128.24 11214.38 19140.33 7498.23 10389.88 4032.76 11500.01 50306.45 10724.63 12872.05 8161.32 13269.17 11440.03 10898.9 13472.12 12511.4 12187.79 Tetradecylamine 5124.22 2735.54 6593.1 40381.43 7718.6 10884.68 94477.91 6660.72 5096.38 4640.66 8296.71 25691.25 203302.08 9828.74 22711.3 69285.37 10383.21 12422.01 16961.53 21603.93 5536.33 4987.1 6872.32 9134.34 4737.79 4833.36 12841.96 25362.58 18220.4 17514.85 9928.69 15835.02 1732.11 136714.39 11090.79 12685.49 2763.38 5989.99 7105.67 20246.07 13669.54 15937.11 9218.3 11528.13 16473.76 123963.52 15002.22 12753.89 7167.19 16749.16 18796.55 12901.92 10822.67 23677.02 4445.48 8542.93 6532.91 5593.62 3181.18 8381.8 7389.92 7982.78 5463.97 17404.87 6834.34 11404.19 5845.52 7564.77 8593.5 4623.78 3726.1 8734.63 5233.52 14572.2 28297.7 19039.04 19181.91 19112.77 19112.26 19039.16 19112.94 19038.39 18823.89 19085.81 2-Hydroxybenzaldehyde 2858.98 655.2 5770.39 8165.25 3744.12 1055.51 8794.87 1121.58 1255.2 1442.06 3949.76 3155.96 4419.77 3245.24 1177 4312.37 2291.95 1420.7 2312 916.94 2255.92 1429.41 4824.06 2837.12 523.16 706.19 2712.96 2945.32 1559.21 1552.67 560.79 2391.82 533.88 8782.08 4659.25 753.41 1177.73 910.55 9829.92 2049.16 1212.04 771.6 1230.04 3750.37 1242.61 15050.56 1212.61 1220.37 2740.52 1038.58 5456.09 1981.98 5917 8955.67 3697.23 1502.1 3644.7 1350.7 1227.33 2264.9 3820.67 7507.75 3860.61 1505.11 567.52 4775.18 608.88 2398.81 1223.93 1427.74 1106.02 1153.81 1882.74 2919.3 13281.31 9977.26 14733.88 17582.46 20265.46 19076.75 7458.65 12205.54 13923.03 19337.87 25490.78 13548.08 6121.9 21254.0 14559.61 12639.32 17889.37 12459.81 13975.13 11921.47 11029.18 8663.74 12631.94 25368.17 12729.61 7574.58 3658.73 3761.51 3623.8 3453.8 3618.08 3597.24 3658.54 3659.67 3618.21 Thiamine hydrochloride 9418.63 20276.64 17315.57 16285.2 21090.97 13862.76 16873.95 23962.27 13045.19 7872.53 13144.18 18466.7 17490.25 8150.82 10625.2 24388.41 10856.74 17319.15 21130.39 23383.88 20324.62 10520.73 9997.26 20115.25 17353.76 9994.54 11900.61 14317.54 30249.34 2503.78 13702.58 3536.93 13138.45 3624.77 24177.51 14966.42 17304.56 10592.71 19743.77 8910.45 11692.21 11749.49 25949.79 16008.09 12216.81 9188.75 13356.44 20071.61 3295.31 15892.08 3618.17 29169.8 4963.12 15272.18 12811.16 7720.28 12767.26 9124.66 6699.75 12066.83 6627.75 20670.98 4081.49 26629.42 35139.45 12416.92 22286.44 16161 13657.26 14372.09 19775.14 10592.23 24088.3 8431.3 18585.25 13458.98 14120.98 14368.2 14379.26 12704.6 13353.37 15852.71 13910.05 13624 N-(2-hydroxyethyl)icosanamide 43264.99 46769.57 42011.2 47625.91 34019.91 36665.36 36011.59 39647.11 38270.26 46283.16 24134.06 24809.09 29285.76 50682.5 42255.69 39875.13 60340.3 39925.44 39629.37 41043.22 36899.61 34893.23 28974.85 41903.07 44605.05 46829 47841.37 46867.46 37154.41 65434.64 34182.72 39542.8 30213.09 36004.83 41878.96 47128.96 40911.6 41303.46 41644.78 63348.77 52450.87 39039.51 51741.75 47415.11 36238.51 40568.19 38889.8 43999.08 22085 34201.89 36254.55 39856.62 38269.02 40666.48 51956.27 44977.33 46588.48 45838.05 44288.16 43931.05 56632.32 45647.65 40410.38 36109.78 34271.85 41484.99 41114.17 44597.54 49242.25 39657.65 36584.68 41225.57 30130.6 28846.55 42235.46 26981.3 19330.14 23996.54 20975.89 22274.0 20338.84 22967.65 22990.27 21536.83 22578.72 21611.77 24133.45 26217.42 23571.29 22762.92 18922.21 26577.67 25141.08 23491.21 21201.61 21894.6 22875.19 22382.39 17123.58 24289.09 44051.72 44570.26 43642.36 44509.64 43691.07 43954.66 43642.77 44041.41 43310.89 Glycyl-L-phenylalanine 9102.76 10768.91 11812.65 18467.19 38547.05 16938.52 27849.05 31222.02 37599.3 18372.09 6188.34 11471 5877.31 8221.58 29377.93 24168.42 12018.78 20925.83 4117.62 18965.91 10258.93 4917.11 5598.96 8023.95 35245.78 34243.54 21006.78 10579.89 21923.8 1930.36 2010.39 6507.27 17322.72 11378.06 9382.99 16052.65 22514.29 6445.25 6181.64 21443.51 2391.18 9575.59 26188.08 1667.43 14296.14 26366.23 15599.6 5008.72 13280.5 6804.67 28647.24 10877.75 14599.64 32781.26 24228.12 6882.91 12924.56 21140.49 13971.9 22358.35 7094.61 5665.52 26739.78 24357.03 17423.9 20655.8 13569.86 6885.93 7959.45 24322.87 27508.03 7191.9 10888.45 31429.9 16004.11 17266.43 17274.34 17279.78 17214.23 17064.77 16458.99 17058.4 17272.11 17257.19 Tetraethylene glycol 2544.08 2276.89 3069.59 1518.58 3198.23 2861.65 3021.86 1970.56 1395.01 1949.82 1260.4 2795.89 782.52 2012.39 2349.77 1327.49 2479.35 2924.84 1387.8 2025.56 1899.95 1522.56 1991.76 1281.25 2851.61 2993.27 2478.48 2271.83 1991.17 2073.11 2394.17 2760.18 2042.5 2187.51 1749.18 2357.21 2021.67 2599.61 1931.85 1896.84 3907.55 1174.75 2094.19 2046.75 4256.42 1002.93 1901.11 1473.29 1538.35 2060.76 1524.94 2125.51 2548.37 2001.07 1442.78 1770.77 2042.81 1432.72 1748.39 2669.48 2024.7 1396.62 1124.49 1736.39 1919.92 2928.79 3429.28 1531.33 2186.19 2222.35 2238.08 2171.91 2364.42 2431.99 1804.62 6581.18 6577.15 6804.99 6695.42 6490 6603.66 6576.9 6678.01 6889.45 1,3-Dicyclohexylurea 166981.43 178132.8 160636.74 184153.49 143324.09 172634.36 227508.33 334673.1 156316.78 160139.81 276209.32 124185.84 120655.59 169291.77 161245.15 145539.46 155531.89 159603.86 150877.05 142481.51 227530.94 129473.16 120916 152932.23 150327.17 160262.84 159114.11 143874.25 138426.54 171972.32 173383.22 156205.25 126410.47 152138.3 155979.42 157387.47 157351.47 158576.76 160942.87 166302.75 164915.84 159262.86 173675.89 159505.12 153674.67 167466.89 145977 149873.38 113025.47 150936.13 146667.83 170045.03 158878.08 143846.69 226884.27 167850.04 161542.48 181259.75 175905.59 159175.36 159605.21 155008.27 158885.15 144284.75 160649.07 172174.41 168404.39 170846.41 162274.37 146165.53 163940.76 157323.43 151117.44 138793.96 145192.78 146381.55 306117.11 158013.56 142932.01 152070.97 149491.42 151492.18 147582.16 144763.55 147413.1 152089.65 149050.51 159846.97 149623.56 145904.57 137408.58 157825.47 141761.28 147307.55 149477.16 155111.04 148587.42 153357.18 145810.46 151678.92 153729.33 154901.1 159785.54 154593.65 153710.43 153709.7 156048.7 154892.78 153553.12 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid ester 1838829.29 1715688.51 1903657.64 1751724.51 1845371.14 1259561.7 809848.07 1173310.33 1936542.05 1911261.83 425620.25 1478721.08 1492218.38 1873392.32 1669068.24 1659364.14 1481141.57 1809556.45 1946102.33 1516969.61 838442.35 1224597.89 1520157.13 1871603.43 1902831.43 1979680.44 1848675.87 2075542.95 2100169.96 1564216.66 1584377.24 1713710.02 1470334.55 1894086.79 1805705.32 1959297.37 1801437.31 986906.73 1747064.86 1640249.29 1470271.3 1559919.46 1843217.71 1607342.18 1756735.18 1356377.12 1829763.57 1738472.28 1251044.44 1454020.14 1398753.9 1429940.48 1570979.38 1314847.59 648037.5 1706905.56 1597329.49 1425882.77 1672661.81 1086358.13 1625193.4 1477164.81 1469601.7 1717835.64 1823135.25 1484818.56 1525025.44 1907346.18 1722168.95 1826366.45 1637841.7 1450945.49 1031395.45 1165921.67 1593081.5 1571889.83 1569131.68 1578765.42 1579796.14 1565909.66 1577881.39 1602000.92 1580044.33 1579840.65 Diaveridine 82190.47 56122.05 111137.39 114306.03 62990.42 11865.35 82811.52 78326.14 47710.48 20343.56 78863.1 55965.55 110214.71 75680.01 29484.29 80784.5 17535.17 13064.94 22438.37 13765.98 40583.7 15019.82 35254.22 73724.47 17278.25 34429.2 23388.5 92696.09 18172.48 14255.62 25756.04 26256.35 16717.81 125532.22 174647.75 20168.93 32300.4 12923.6 108111.88 117130.42 1507.32 72203.37 98152.01 110057.31 21833.26 119520.84 72409.24 15633.1 23580.17 23489.97 89835.05 83876.09 117504.95 202158.8 60199.29 24892.89 99257.61 141455.32 20879.49 34671.01 83995.89 68855.13 143435.97 193010.54 33190.38 72496.5 26469.25 59223.33 77789.04 78532.27 34568.42 20700.52 116454.01 137686.79 204254.25 7319.2 8992.04 12161.54 7079.64 6457.28 13185.45 13033.05 6889.32 13060.44 6952.01 6871.71 7018.82 6855.23 6895.23 7603.18 11414.45 7609.49 6653.87 7165.71 7651.62 11816.57 7524.4 7004.94 7217.09 7248.68 36833.82 43406.12 39084.6 38193.47 36758.63 38856.5 38328.62 33988.29 36496.13 Gelsemin 131164.25 65399.77 10624.69 37051.92 204540.01 230983.55 158907.48 132594.69 83510.42 67159.72 43744.73 48418.78 101967.03 53569.39 56303.88 30912.52 18574.49 50816.69 66546.75 29304.09 43351.99 58126.24 25847.54 34564.02 120676.26 119405.93 57523.18 59976.01 99830.24 613.73 44750.04 99315.53 46760.69 33561.95 44702.45 173038.59 64418.81 33461.4 27384.26 28328.85 47806.86 227775 29080.98 28761.44 68059.57 84314.78 124245.21 62441.13 73109.9 71063.05 146636.25 53949.81 22452.58 40026.32 73101.08 52487.88 9726.07 3638.21 74462.76 33217.74 16226.32 36039.54 44448.52 22927.81 13089.87 81568.11 46202.45 41353.21 30837.33 80788.4 73359.41 48562.54 26489.27 31918.03 49541.84 75913.52 74955.25 76192.74 75936.28 75945.14 75336.25 75926.59 73800.08 76318.33 LPC(15:0/0:0) 104977.75 90919.78 89689.86 85920.65 39670.03 161351.94 56193.22 93785.84 52063.49 63055.16 53594.34 114803.29 104724.61 114904.46 99601.18 84781.75 56551.24 165621.57 94994.04 64344.95 91248.45 54734.14 57129.54 36573.02 88871.05 146229.55 50276.53 96257.49 67518.24 41778.31 82755.79 35855.55 67637.15 105035.46 80421.27 140678.7 79960.96 198205.52 67917.5 87926.68 115074.19 151981.55 89926.33 105493.7 137994.6 91360.23 106068.69 49819.22 6737.32 71016.19 118935.21 91380.49 162486.88 111247.26 111974.28 89718.65 92362.42 46217.41 72821.85 78241.55 101413.22 173409.11 122331.3 117081.81 50913.85 181955.14 89277.77 86892.53 68669.07 70790.95 13905.09 89056.51 82870.54 112029.03 124715.86 65250.7 29955.47 80440.86 65953.61 57691.83 31248.69 15229.99 36785.74 45197.6 4989.9 1261.53 9256.79 12052.71 27530.29 10285.86 18415.77 11845.74 68115.15 22281.97 6904.03 31766.57 6944.11 18316.08 30707.54 72570.46 98642.91 98631.36 94359.3 98088.72 88558.26 99819.32 96877.26 98627.51 97240.43 Thr-Val-Leu 5594.12 6815 1121.97 7838.91 17741.27 8960.11 8446.49 19244.24 10061.02 9389.4 3304.64 22921.2 2126.66 1030.05 20142.19 7375.82 3442.6 2729.99 9887.38 16031.7 5017.63 7634.68 2348.01 1591.27 1217.66 29097.99 5873.6 1131.13 9018.46 1410.52 4474.22 7897.29 13453.69 4219.24 5100.1 10053.12 9548.54 3539.82 3318.87 7132.12 9195.14 18877.25 11720.07 2704.45 6564.33 6743.23 8303.77 2173.99 4792.1 1088.16 25660.76 2183.42 6197.14 12150.31 9788.32 5507.39 4341.86 4003.02 10955.27 28593.28 2610.75 4439.72 10711.63 11543.37 11854.27 8233.04 2702.36 1575.09 3195.28 13954.95 15643.73 3107.36 5372.05 12279.03 3448.61 8856.33 9242.28 8974.37 8852.1 8853.81 8965.39 8970.18 8851.39 8851.09 6'-Methoxycinchonan-9-ol 23722.2 22034.48 17642.22 45068.54 36760.44 14145.74 84581.76 30274.61 8414.66 23689.01 20942.82 18352.49 10828.76 20932.77 6660.46 18689.91 13065.13 13566.8 6530.32 2381.87 20172.09 35825.22 21129.25 24008.66 20225.07 16876.62 10131.41 16042.92 40992.53 3439.14 20526.99 28833.98 10744.79 22817.2 17795.61 21371.99 23961.24 29652.65 29419.37 14427.3 19141.69 60122.75 20030.82 12635.23 30598.88 43052.19 19301.89 24550.42 19152.33 23503.54 37033.08 29424.23 23589.09 20908.07 31281.94 18977.11 8008.67 12742.43 17863.51 22515.29 16529.22 21675.97 22742.19 18298.84 11924.54 34888.53 17784.76 13846.33 13857.62 14874.22 6159.26 16229.5 15785.47 24499.02 21848.46 1786.54 4233.97 1420.25 849.06 1136.02 1199.74 1161.32 1409.94 606.53 972.64 1924.7 2324.08 1432.41 1204.96 1512.86 822.54 1824.25 1331.22 1259.9 1488.23 1515.03 1422.84 1462.84 1586.07 33052.3 33411.89 33426.88 34590.33 32343.6 33248.4 32834.29 32973.8 33431.56 Isoevodiamine 63838.47 69417.18 29249.51 21485.14 76990.61 75253.85 36157.49 92598.06 91751.67 43749.32 22534.2 19703.41 14240 18726.32 71031.69 2937.56 22103.7 43882.33 44539.46 59091.78 92773.3 36290.35 13010.84 20310.21 80584.65 89531.53 23144.72 20118.8 56768.19 15487.87 54772.62 35944.31 48252.93 23271.02 25780.53 49175.97 73486.41 57617.42 18340.3 30129.59 33208.71 62163.96 34734.29 18293.86 46670.49 4916.57 55111.99 25230.7 24111.5 16215.85 43623.21 57746.4 22977.68 27998.56 36799.39 58275.01 19146.15 24890.1 71352.68 37725.14 17317.83 15915.48 56463.36 25504.11 27100.68 60862.41 93163.19 15322.5 18279.95 78188.48 56687.91 38594.72 23413.2 35620.33 23418.11 44216.97 43966.87 43930.89 44311.68 44947.91 43992.66 43983.23 44499.12 44519.58 TRIPHENYL PHOSPHATE 3980.23 4759.13 4200.26 4350.43 758.29 3178.91 3799.39 7487.31 3911.85 5936.56 4807.32 2701.23 2568.65 4515.03 3725.38 2737.2 4105.45 4087.38 4482.91 3436.8 4934.77 3081.58 3435.74 4782.95 4335.52 5164.5 4253.77 4682.34 4133.3 4049.83 4557.07 3703.04 3132.71 4337.75 3900.4 3829.26 4722.85 4950.25 6334.81 5192.91 5320.43 3903.35 4494.44 4561.2 4880.65 3260.73 3378.04 3958.58 1429.4 2982.66 4351.56 4526.11 4188.68 4038.06 4760.36 4255.56 3568.82 5380.23 4654.81 3857.46 4576.03 4880.86 4623.57 4452.64 5159.15 6198.42 4111.13 4688.88 4790.05 3805.07 5198.86 4283.83 3490.26 3172.19 3390.67 5037.3 6110.78 6221.34 4627.08 4287.77 4563.06 4325.81 4004.74 4243.79 4430.65 4221.21 3904.48 3964.79 3717.11 3679.5 3760.0 3771.07 3770.93 3821.64 4020.01 4032.55 3419.41 3693.81 3568.37 2521.33 4205.69 4210.72 4920.88 4296.36 4262.3 4366.95 4415.45 4414.37 4573.39 Avobenzone 30111.21 30444.24 20922.9 26364.96 52184.29 2610.34 44003.41 38493.76 44597.81 33205.27 32279.19 37694.33 25831.76 36121.04 60036.32 46773.21 22320 32251.75 70184.02 72924.12 43424.32 5544.43 20519.7 27490.84 38737.05 44183.06 27423.79 29216.64 43232.9 20458.42 45238.78 64896.95 26776.71 42453.35 31619.82 43396.43 39266.81 47895.4 27090.95 25323.56 46449.07 53739.28 30944.27 24049.43 41819.12 25829.63 46191.74 45815.79 29518.41 55140.49 32750.49 31083.58 30814.37 42924.37 23714.97 33458.96 18898.57 17203.32 31660.83 9952.28 19310.3 21225.27 23735.81 29572.73 25875.4 36914.28 68092.57 23936.01 28353.14 34511.36 35206.47 33505.51 27941.91 31064.05 25616.15 42402.18 42448.14 43141.26 42824.89 41262.52 41254.53 41764.29 42943.39 40785.38 Prednisone 8210.35 5611.7 5973.43 5041.54 2270.99 15120.67 1842.66 26532.15 19915.17 15681.21 7619.9 16455.16 12382.26 19675.73 24464.92 19526.78 7008.87 38737.69 34378.13 18603.42 20477.7 19053.12 14371.78 11221.32 29333.95 9401.93 6608.49 14475.19 32229.28 13757.57 27350.44 37947.61 22953.02 12239.09 7062.64 25739.93 23676.79 6790.87 13351.55 5149.72 9426.7 19909.88 13927.52 3620.49 23890.85 17807.2 13155.65 9564.75 7428.44 12056.61 11937.18 17868.07 7513.07 1327.27 19103.42 16227.66 5384.25 6009.2 29430.87 2862.13 5409.73 10357.21 16686.91 15162.47 13733.28 6860.03 10523.77 8969.53 4596.57 22148.44 9539.6 16149.65 17383.28 6978.64 10182.26 6774.67 9514.62 7714.87 7028.95 6533.91 9187.91 7655.29 6898.95 7501.28 7772.98 6011.35 7040.96 7770.92 6502.92 6437.6 6405.27 6709.54 6056.22 7027.69 6635.66 6565.95 7426.66 6864.21 7827.45 5961.71 10617.86 15414.94 16104.33 15898.1 17615.07 15652.1 16128.77 16544.13 15379.58 1-Indanone 12546.39 19380.23 6609 6790.15 11347.2 8893.01 11058 15687.07 8236.59 16809.7 9250.15 11874.19 14471.56 12352.84 19748.17 12318.29 8224.9 14349.89 19529.85 4420.82 6168.12 7766.24 8503.48 9154.93 19271.77 13573.52 16233.3 13759.8 20706.6 905.35 6711.34 15086.09 14346.7 7245.24 6542.35 18886.06 10982.39 9762.91 8477.71 12909.58 5350.53 12647.35 8980.64 8496.69 9671.24 11715.92 11522.12 23794.48 11321.62 16350.29 9055.66 11856.68 8070.41 9011.92 10061.46 16057.5 7244.41 8471.35 13236.19 6894.81 7038.31 8870.66 10584.34 6739.53 10706.26 14381.72 3582.04 16305.22 15328.22 11713.63 11265.96 14422 9126.44 10185.33 9497.34 11353.33 11328.41 11320.17 11320.95 11388.4 11387.4 11458.05 11321.74 11281.44 1-Pentadecanoyl-glycero-3-phosphoethanolamine 755844.66 909554.05 565314.19 365770.26 90712 1076529.37 137173.37 401014.65 305069.99 287295.55 488077.92 167591.15 250316.55 334384.84 918720 140345.79 324114.58 531434.55 132938.32 392688.61 173604.61 87359.54 161204.99 306022.16 389998.82 302802.22 284833.92 350212.21 249006.54 193432.43 196006.32 69226.06 231359.9 672262.22 774268.52 371390.02 626129.28 275518.44 252639.27 537887.51 142517.61 380590.67 521462.48 694670.73 228192.85 211941.9 500240.01 326668.36 163490.85 243545.55 369574.09 493451.66 402120.97 278369.88 496294.26 691916.37 861229.92 698427.39 307374.1 253135.47 510154.91 234149.62 1123707.35 454965.21 516359.64 412151.46 354085.27 323219.4 367765.63 543702.34 359901.24 153063.78 569595.23 449545.55 311655.86 384199.23 382016.76 377912.3 377925.05 378060.75 384243.51 377068.7 377948.8 382056.7 Fingolimod 3754.36 3263.68 1347.77 3523.21 1341.14 3490.05 3957.61 4438.49 5589.52 4205.21 4487.73 4726.89 3909.71 1693.15 1874.72 5753.77 3403.89 855.18 4606.56 4632.72 3603.04 3447.78 3507.84 3967.41 4552.76 3289.36 5654.49 4486.22 7672.63 4637.29 3762.76 4439.23 4984.87 4940.32 5068.18 3196.31 2017.34 1361.88 2959.04 2977.54 5025.4 7246.3 3418.15 4005.2 2118.22 2222.24 5220.74 4940.68 2923.74 3934.14 5742.44 3128.8 3169.21 6193.9 2471.64 1764.73 1849.48 2256.32 3005.99 1663.6 1516.06 1340.88 2637.01 3537.87 3197.38 3811.76 4485.42 3931.31 3314.62 3373.48 3503.48 3902.96 4706.74 4083.88 4634.82 5440.63 4829.2 4725.57 4625.75 4918.04 4602.87 4105.81 4777.89 4616.98 N-Acetylhistidine 9278.44 9753.79 7253.35 20921.33 4570.58 14529.55 3407.15 14113.97 14884.27 6394.24 7564.62 8568.67 9201.19 9430.92 10762.14 10622.27 6055.55 12782.12 12074.63 19454.59 12333.39 8205.82 4434.66 7406.27 8801.09 12657.16 8154.31 4997.45 14761.13 5443.51 14369.76 11535.75 8591.71 15747.37 14012.76 12623.7 12582.17 10775.74 7009.54 9303.43 16900.67 14963.25 4859.09 10256.06 15134.18 44166.84 14954.02 9723.53 9094.6 11554.38 12223.38 8699.4 8815.53 15465.3 10730.13 8712.15 3284.38 5948.03 10924.97 8107.73 3272.41 8208.49 9677.51 23461.27 6684.75 10529.93 13032.95 9484.96 7991.97 9746.91 11300.16 9203.58 5213.86 15399.92 27879.61 11372.44 12037.46 11240.82 11176.21 11171.35 11172.6 11422.3 11190.41 11211.53 Miltefosine 8308.36 2729.43 1564.27 1398.64 12265.94 4969.05 7019.5 9552.74 12492.01 7152.13 9934.53 15436.49 16111.61 10708.97 5170.36 2844.93 2387.89 6560.45 4853.01 7726.72 6789.49 2713.47 5225.76 6012.29 10153.08 3420.35 7227.04 12804.94 6859.34 14796.78 7357.61 23977.99 2255.62 5944.39 2507.49 12835.66 8911.67 3682.91 4325.09 4004.69 17097.98 20340.92 6420.44 2877.17 22071.56 10329.52 10267.93 4604.01 9212.99 10953.82 21473.29 804.92 8879.56 12638.89 3270.82 1750.98 599.39 588.44 3053.12 3142.73 8674.9 1001.65 5594.77 2238.78 2535.45 9699.85 6357.69 10626.46 8591.84 969.92 2196.71 3608.02 9404.09 1609.65 2703.99 8291.78 7313.18 9015.75 8593.07 8246.49 7723.23 7123.37 8327.02 7944.77 Thr-Phe 11246.06 7468.4 6088.52 10190.12 39491.23 25842.6 35922.14 20466.31 25064.31 12214.2 7931.92 14087.79 20129.91 11342.79 29255.67 17831.43 4546.93 34269.05 19784.99 21226.86 12983.88 10187.78 7323.75 20492.79 22549.71 47733.48 15504.54 12058.72 32029.09 8587.52 4705.8 7421.92 15303.63 17225.29 10157.54 11796.94 22775.53 10535.16 20431.28 9803.11 11284.34 19879.39 11787.35 6811.18 16780.3 36774.1 13757.13 6871.8 26593.33 20485.24 17668.68 7608.21 11706.37 19783.44 13747.71 10356.62 10510.36 9024.45 15595.94 13784.42 5224.58 7539.44 12312.5 9238.47 4885.7 18255.23 12537.58 12884.61 5592.41 17014.88 17529.61 18249.05 10580.2 12878.29 12990.22 23878.55 22772.35 24816.47 23026.13 24904.5 22662.49 22963.51 22783.44 24797.85 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)- 1074.89 7210.43 4358.25 6127.85 3781.44 1212.35 7166.43 6063.4 5470.26 7353.94 8394.98 7984.87 2767.95 4061.08 1379.01 7876.4 7534.44 5407.89 7695.55 2545.66 3556.31 5746.86 4729.33 5497.72 6069.08 2001.26 2774.72 4668.26 7401.75 5320.01 8235.06 9129.95 7100.48 4214.32 9970.95 11001.31 10908.74 5028.68 5826.51 10417.54 10922.64 14217.69 8470.06 7318.12 8732.74 2875.02 15094.61 8284.29 7430.81 19207.2 7775.09 8264.69 5021.61 10740.42 16009.35 30268.08 8298.91 10274.17 14002.38 10858.81 7186.04 6731.9 20300.21 8302.04 10553.21 19370.65 3499.15 4299.63 18634.94 15174.47 12817.88 3096.79 10244.11 4080.04 3132.39 11301.17 13628.59 11892.73 12371.32 11650.27 12049.37 10929.47 11261.56 12200.74 Ile-Asp 5954.5 27579.59 10621.88 14197.37 29200.74 16065.4 25091.94 38029.2 5627.31 6290.74 6267.62 2907.61 4202.63 5541.5 41944.97 14995.97 2845.49 27880.98 13827.36 26949.29 19103.25 20678.28 6377.58 11658.11 36398.63 27099.64 11950.21 2652.46 19336.53 9936.4 11271.25 13508.28 30108.37 10675.14 12346.99 21068.54 24908.06 9177.9 7443.33 21765.7 895.33 16165.08 16374.21 11431.52 7764.98 11065.04 16991.5 26134.4 8063.85 4807.7 20437.26 6509.64 13809.89 19938.86 18389.51 14261.82 18377.5 20404.77 24538.73 16267.87 7917.03 3785.45 34004.19 12754.16 36216.29 18627.58 8510.9 8513.64 5605.95 33022.08 38536 6651.26 11311.48 24958.89 20235.27 21356.53 21723.91 21665.21 21573.68 21378.49 21137.38 21640.69 22110.59 21753.09 PC(O-16:0/O-2:0) 7357.91 8484.4 720.77 3267.7 4938.29 3447.82 1964.07 22367.74 15983.4 24772.72 5171.39 4422.18 12775.62 5847.82 17528.95 1532.68 2007.08 761.85 7712.27 1890.19 4782.95 13082.22 7760.24 6322.81 8106.6 15050.78 27324.25 2198.65 7227.94 1591.85 4860.49 2229.93 2380.66 205995.76 14653.73 31761.38 12781.64 2013.95 11656.44 10403.68 2564.9 27151.27 586870.47 27154.11 8533.29 9582.24 22754.05 17077.55 6302.48 5728.84 45390.11 36303.38 20839.32 8375.28 13758.45 176087.31 4826.35 4743.65 4242.56 1045.77 60897.86 60104.65 9404.82 15951.73 20821.93 17248.3 11153.42 55633.17 49146.38 13900.67 56699.02 20061.02 1510.74 3296.86 12964.55 15388.4 29279.76 30348.48 31095.28 31378.53 28654.14 31429.39 29081.5 29856.42 FFA(18:5) 1315.48 324.58 849.87 44605.02 114865.09 68251.78 67300.27 3128.33 1079.82 898.39 700.91 1560.56 24536.87 716.6 572.87 8090.26 498.32 161.95 390.83 176.31 944.69 184.65 208.28 441.28 2261.85 533.19 248.03 309.53 102.77 1075.66 247.45 4146.69 177.77 4466.26 2408.56 1098.49 1113.53 940.86 1083.28 2432.24 47353.71 7065.73 1924.62 1197.18 1574.21 24559.4 1091.59 1180.74 599.1 3151.73 4537.78 1109.15 1765.88 3345.45 14367.91 1296.49 2779.96 1001 2599.25 9630.28 1630.67 3665.56 3232.76 2261.88 900.57 4339.52 1257.14 1071.74 1120.57 1197.85 713.14 1902.46 1167.43 1498.93 5562.16 15876.51 15962.25 16111.97 15942.98 15879.09 15696 15831.24 15695.58 15713.65 Pro-val 3714.79 10451.45 13941.61 13894.59 58732.31 15150.07 32520.73 75638.95 65190.84 38593.84 5006.96 5575.34 1108.83 2063.21 60307.52 7172.25 6441.75 53403.72 55693.17 28451.74 2220.81 19868.91 1238.61 11754.3 65335.41 48024.83 39410.85 16183.05 22350.17 1141.3 6409.02 58338.19 35040.53 3632.69 43591.59 43131.51 48801.57 26312.05 5178.86 72895.93 3120.5 15276.06 47066.45 513.89 31906.52 3342.91 27430.91 2574.58 8343.97 25212.31 13352.85 14394.44 78870.38 117679.94 41463.9 22220.11 5047.6 53477.12 45994.21 23430.42 8869.72 5676.58 45901.22 88251.56 42816.44 25704.04 7200.12 622.01 2981.94 80627.29 61135.52 19785.08 34356.71 55252.15 674.36 31385.85 30928.04 31412.66 30727.93 29164.36 30660.4 30685.66 31415.27 30670.03 Ketanserin 99.03 126.47 326.48 5273.18 9699.31 13911.77 10672.81 260.93 156.06 136.72 102.58 175.29 1998.54 220.7 308.22 2267.65 2147.23 399.47 95.35 567.96 261.26 179.66 392.93 306.68 319.02 371.75 239.24 433.22 778.84 236.11 145.93 860.02 304.63 245.84 233.57 91.06 135.81 329.39 213.95 281.55 5666.98 143.67 379.11 141.83 376.04 1359.09 306.25 142.65 93.18 649.78 567.25 289.38 234.1 304.5 330.01 179.95 298.2 295.35 367.19 1343.94 245.3 1060.84 350.4 451.9 205.75 210.43 184.34 356.6 248.97 306.43 184.88 150.82 382.15 463.39 1616.34 1749.91 1934.05 1953.87 1882.07 1955.26 1954.18 1956.15 1987.66 1915.78 (3beta,9xi,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one 56165.59 95591.27 136379.48 42160.03 102136.91 2453.2 28723.6 50599.05 92219.09 89258.33 24181.8 7221.63 25864.63 74522.89 39023.64 33813.84 1473.37 44819.18 53834.21 28589.97 40122.3 788.32 38411.74 68022.81 3262.47 52822.81 86639.55 47195.61 97938.65 17092.45 20535.18 40396.24 20105.29 69371.29 52777.46 61890.26 43728.97 10626.13 41120.23 23062.92 10407.08 49806.76 47186.14 21113.93 45484.55 26178.38 50642.03 45967.5 69028.84 41166.7 123261.48 104790.43 41441.41 37359.89 45022.92 43359.82 35249.16 31536.78 26885.15 9925.97 45415.56 27294.51 69952.21 46223.35 26321.85 43929.01 36261.81 48912.59 22230.07 58825.61 71537.59 57980.55 34926.44 33276.9 52407.82 41029.8 40979.6 41031.44 40733.79 41146.9 40565.75 40487.84 38808.52 41102.66 Pentadecylamine 2690.38 2286.22 738.74 17150.3 960.2 730.43 27942.19 4166.89 3685.65 6975.88 1514.92 4854.92 36787.47 1549.38 12408.43 23758.13 1972.19 2732.81 7236.73 5160.52 777.41 897.95 5996.03 5764.81 3106.08 3535.68 3463.26 6004.3 2231.27 4880.05 4031.23 4023.63 1124.23 39029.06 1391.16 2259.49 720.17 8405.32 1060.41 7749.19 4599.08 6236.28 4963.44 3646.54 1106.36 64861.24 2081.18 6991.86 5563.25 8287.26 3414.87 5430.51 2703.19 5076.75 2673.25 1950.99 429.33 322.31 3553.55 2232.14 949.68 387.98 1595.04 5653.18 2655.9 5416.64 2109.65 7022.83 2886.28 1906.5 4606.75 3033.09 4823.26 7060.95 11446.36 7021.17 7075.86 7075.88 6916.58 7044.3 7060.65 6628.42 6927.25 6952.36 Phenacetin 36882.72 17888.52 5586.16 2677.43 32042.39 35394.67 9854.43 44567.15 46087.35 32782.97 18817.35 33900.34 22244.1 32068.22 39951.43 29617.42 11595.47 62899.02 67892.25 29956.16 40176.95 41975.84 26510.55 27298.44 50128.52 29895.15 15412.27 16845.57 57611.01 30440.47 23116.38 68014.34 38645.14 25927.01 22252.51 50810.97 44105.76 22395.28 17704.05 12436.97 9773.77 41874.46 30220.05 18545.17 54450.11 21885.31 27640.61 28346.88 43590.47 42679.62 41340.39 35105.98 26139.3 15241.11 33051.1 28896.27 1737.13 15330.4 55154.04 19107.33 18615.4 16605.1 38947.42 31597.29 23423.91 31363.45 22865.85 17897.14 15804.19 44149.86 21181.86 28860.31 32188.29 14865.31 17943.35 34145.11 34445.05 35433.18 34788.05 33604.3 34107.47 34306.96 34789.66 34099.38 Disopyramide 6509.95 9136.96 6060.25 7535.54 8767.18 40902.45 22887.65 10849.65 11367 9691.16 8292.52 9563.5 13194.97 7244 9145.46 9721.49 5490.32 8813.54 8844.31 13235.06 10621.53 5983.4 7485.64 6701.88 9853.63 9820.64 9534.79 7505.37 19639.51 10495.06 12615.84 29460.56 7559.45 10220.31 6946.42 13920.13 8082.16 11549.86 8182 7397.46 20719.92 16190.99 6833.78 8227.72 16294.48 7095.94 16152.44 10113.96 5586.5 12541.55 8493.73 9674.99 6081.59 8732.96 9647.88 10447.23 6615.1 5862.38 8849.33 8139.62 5439.68 6234.92 7619.6 8599.67 5473.49 8730.92 8581.79 6594.13 6441.18 9789.25 8530.6 9743.58 6297.12 3660.41 1521.08 3617.81 7306.57 1669.67 4024.09 2093.22 5505.25 3631.86 4023.76 1164.27 2665.53 2120.38 1848.77 4106.01 4363.11 3584.74 6925.53 5991.24 5016.37 4370.86 3639.81 6192.54 4450.71 4775.77 6225.64 5539.0 10748.8 10458.45 10631.79 10523.2 10737.12 10736.84 10539.07 10769.46 9935.43 Zebularine 7557.35 16879.27 36192.76 24953.49 24326 30552.61 21920.63 24285.99 29434.76 30555.32 13205.93 26014.37 27311.71 31794.51 1975.87 11928.27 22088.3 1033.82 19601.23 2715.23 4138.4 22754.38 22958.9 17504.4 12049.67 15533.84 30417.94 1610.24 1020.15 9090.71 4996.42 21145.35 25075.94 29116.29 31396.22 35886.27 14556.08 30523.51 30243.9 27252.22 7043.21 17885.49 37796.79 30326.17 37272.88 26478.77 30355.25 43949.47 30756.67 35273.82 27358.33 5333.62 28203.35 27456.33 9299.76 33524.94 27779.21 23987.27 13519.37 25230.94 32818.29 31761.67 27352.98 29339.83 27203.06 27643.85 17158.23 31506.26 28644.99 28057.09 29041.13 30613.95 25956.51 31544.2 24818.14 12646.46 4945.36 17446.04 7828.89 7271.33 6280.05 7125.77 13447.0 5952.05 17399.43 5453.46 6252.31 18358.25 13067.94 5657.09 4869.03 10781.38 13528.81 13518.46 7284.96 14394.76 9057.34 7027.42 7029.54 6071.08 27435.63 29130.35 28679.49 28056.46 27998.69 28706.26 21004.12 30140.81 29340.37 2-Phenylglycine 10194.3 7032.42 3636.02 3751.25 11938.26 8277.56 6252.29 7156.75 6017.96 7024.81 6103.19 5785.67 5746.56 6445.7 7368.83 8165.4 3197.52 6633.6 9371.38 5908.99 5492.75 7210.74 5519.25 4598.07 1019.52 7176.74 7774.8 8754.1 11367.95 4184.17 6719.66 10601.28 4288.3 6558.06 6090.49 5743.49 4979.34 6948.98 6292.34 6662.39 5728.5 10864 7303.37 3590.07 14202.15 9050.15 7133.37 2179.73 6892.89 10946.94 8805.11 5678.23 3224.08 4989.92 4827.45 5325.99 719.99 1722.38 6894.11 1056.39 2593 2699.4 5702.6 7356.1 4718.79 8260.22 5601.93 5120.39 5386.58 5040.51 4346.8 11098.42 6686.76 4285.92 5708.66 5920.58 5542.51 6181.86 5950.97 5943.08 6073.51 6073.25 6026.92 6068.74 Spironolactone 5640.03 713.72 6030.05 5140.19 3183.9 1186.84 5391.49 9804.82 2519.46 7490.54 10289.54 2225.13 4927.78 8394.43 6077.53 5339.2 7231.15 1383.95 5766.1 5568.3 9491.14 4035.96 7668.56 5113.44 5563.98 5366.49 5197.29 626.11 4398.17 4974.18 5099.8 4604.61 8798.14 5978.69 6247.51 4433.09 4538.4 6957.74 7994.27 8361.59 3205.83 4773.3 6609.23 6613.6 3886.35 4819.39 3906.07 5189.86 1742.86 4219.42 3850.61 4959.25 6532.22 6216.4 7578.33 6977.3 7804.65 7467.15 6140.8 6438.45 7684.38 8280.85 3874.23 6281 6579.01 4195.36 6414.84 6929.87 5742.11 5941.63 6566.22 5952.39 4539.62 3632.34 3580.51 3237.75 2584.15 2540.94 2625.99 2441.4 2805.26 3109.5 3114.25 2429.57 2342.46 2338.37 3103.57 3074.16 2274.25 2442.75 2270.8 1723.31 3326.04 2504.12 3631.29 3492.51 2564.2 2679.81 2915.38 2667.86 4846.79 4738.75 4781.98 4886.03 4751.97 4754.36 4979.71 4781.77 3995.14 Apatinib 9629.35 5411.85 327.48 2477.37 8870.22 9027.51 6976.48 12654.99 34116.59 2228.25 4202.08 3898.29 1235.64 3292.23 12724.81 648.24 2503.88 15613.93 453.7 12848.64 6426.39 304.67 514.47 4444.51 45430.95 10493.47 886.12 550.28 1415.12 9461.47 13479.96 2606.84 2545.65 596.3 888.86 7931.63 10107.81 977.29 1534.51 1434.9 24013.61 24279.55 1164.73 961.04 4116.55 5316.51 2042.66 1246.45 1222.11 2389.44 20769.35 1929.18 423.01 1529.39 20026.12 1333.71 637.68 1257.64 15227.62 2256.5 1179.92 3728.14 1778.9 4496.39 480.58 19102.21 3338.52 1033.08 1606.33 19783.78 6534.58 3768.81 2189.66 1990.28 1588.13 5935.55 6759.95 6374.77 6806.22 5820.62 6365.24 6254.42 5115.9 6389.16 Nicorandil 924.99 1683.77 2795.34 2745.78 3985.83 6382.95 1890.65 536.7 762.97 1654.44 511.32 1064.84 3427.1 878.94 1315.07 2914.58 2522.4 1488.96 1327.31 1130.18 1808.79 6091.69 842.7 1518.71 2321.47 1304.56 1907.72 1130.24 1488.62 1123.23 1470.88 1329.79 1795.57 1374.53 2285.29 2379.01 2456.71 1885.7 661.91 951.45 2552.38 687.61 2256.73 1181.67 1335.68 1514.27 3586.99 1128.43 1255.54 1466.91 971.49 5171.87 3126.82 1168.79 1004.8 2267.04 800.82 2945.19 1660.86 4046.01 1188.9 1449.09 1965.31 1344.87 1574.84 3197.47 2485.88 1024.46 1860.15 768.98 1157.87 713.11 734.74 2932.27 1043.39 2279.94 2119.62 1926.47 1722.96 2127.63 2340.84 2089.76 1800.86 1897.26 N,N-Dimethylformamide 6038.49 6129.4 7322.67 5970.75 5450.64 5842.01 4381.49 5983.8 8959.65 6707.17 4166.21 6184.04 4395.85 6103.24 6445.87 5566.03 5713.19 6647.63 5810.94 6710.87 6334.13 4487.6 5156.73 5971.69 5786.03 5823.82 6105.63 6990.33 5641.91 6919.59 5160.15 5145.16 5461.54 6978.33 5733.63 6885.31 6287.89 3429.92 5470.15 6514.13 5395.82 6263.91 6379.53 7155.12 5926.69 6564.09 6035.97 6092.08 5411.23 5131.15 5065.18 5458.12 5582.99 5386.8 3623.47 5341.92 6114.45 5404.19 5568.12 5650.42 5552.33 5046.05 5886.84 7886.31 6386.64 5141.03 8597.11 5834.42 6368.91 6995.28 5992.97 5346.65 6018.46 6140.95 5798.22 5437.34 2960.92 4883.35 4816.72 4844.55 4738.1 5688.38 4392.63 4211.98 3584.94 8036.33 3105.89 4034.04 2732.8 1969.99 5491.08 6304.63 5432.05 4258.51 3868.53 4365.8 4212.76 2776.18 4713.38 4380.49 5058 4299.03 5045.57 5165.47 5217.87 5033.92 5116.59 5170.56 5167.05 Carnitine C23:5 2281.78 3330.67 655.22 711.4 2108.39 3657.33 8015.32 3526.48 3862.98 4804.51 6972.15 1843.39 591.56 6680.46 3252.15 1724.87 506.07 2450.11 11219.85 1926.59 1178.23 1062.59 3372.75 1810.41 472.83 1212 4524.02 8021.93 3077.26 719.53 2841.42 6316.4 2812.04 6317.62 7048.48 1114.21 2695.99 1638.58 7507.34 8774.18 685.65 1727.54 1161.71 3088.2 546.43 6156.71 1595.28 1425.93 2496.91 1438.51 2297.21 2943.84 836.5 1800.15 3052.2 3729.99 713.95 355.53 2175.63 490.51 7342.72 5439.08 2599.97 2907.59 2585.4 751.48 3400.08 824.17 3336.18 1091.01 1786.11 7039.8 8405.74 1063.79 899 3789.26 4364.31 3790.93 4074.77 4126.85 3942.65 3855.74 4098.22 3793.92 Fenbufen 16144.4 10404.4 16647.7 15484.1 17993.65 4839.79 23527.82 26059.19 14266.17 9786.74 12084.45 13904.05 5856.82 7272.31 20963.95 19648.66 11185.02 19117.99 4869.77 14261.25 19581.59 3478.06 10160.48 8328.41 13831.45 10402.45 5611.39 5270.09 16643.6 8462.3 18710.32 652.69 13845.36 14825.67 8829.7 6206.26 21489.93 11863.8 12912.91 15408.56 3150.14 2661.81 13516.33 8068.82 11415.85 18543.06 24343.84 8543.37 565.33 7724.1 15842.59 14913.16 12000.61 16008.95 8133.6 16286.25 16645.02 13039.42 13965.17 13391.31 5047.06 7838.97 13598.57 15929.11 9248.27 25957.22 5145.37 9874.97 6848.25 18415.9 14238.72 9604.97 18054.14 18289.79 23414.35 13255.01 13714.57 13208.89 13693.73 13663.05 13041.5 13628.12 13259.8 12897.15 LPC(18:3/0:0) 3107.99 2841.68 40174.75 10447.27 2958.14 16350.11 12621.95 1509.59 2606.31 6058.17 7480.05 4333.34 4774.21 4278.28 3333.64 2724.83 7570.94 2186.59 20596.6 5767.03 3414.02 1782.68 6468.19 4408.55 3678.75 3568.59 6477.52 5157.56 3043.96 2569.41 2935.15 3411.78 693.27 8879.74 3763.65 857.78 3786.79 8776.64 6044.88 4488.7 7757.29 2385.58 6588.15 4386.92 3888.57 9391.05 3573.41 3768.56 2730.7 26466.77 4616.91 6361.15 19801.58 18936.46 18546.55 9236.85 92570.99 32496.42 1319.27 6651.36 22526.47 8179.34 5538.04 14256.03 7359.91 4962.57 3122.23 9323.71 5131.54 4604.5 1099.33 2509.51 11241.78 24555.46 9417.44 11119.06 11182.79 11267.41 11799.3 11216.4 12091.39 11748.39 11742.62 9620.11 Piperonyl butoxide 1531.45 208.19 615.97 18762.45 137058.17 15307.7 22528.35 3271.46 2004 3366.09 5178.1 1322.68 16472.54 566.3 1095.73 5381.39 2168.87 1360.58 885.3 6481 1411.42 265.04 748.02 744.9 1006.35 4330.35 5199.79 837.58 374.69 747.38 395.55 1590.75 1112.09 1606.92 1893.82 2324.79 2984.36 848.61 952.34 6143.67 27941.49 13345.75 1810.04 1753.24 2184.41 27687.32 2353.19 1744.96 462.19 2513.42 8006.25 2083.26 1356.7 4871.98 30084.81 1871.7 1617.98 1250.2 4169.87 4240.07 1446.63 2352.5 4854.01 1974.27 1388.12 8369.63 1969.39 1395.08 1639.49 2847.57 1680.89 2896.75 2402.47 2297.09 6783.49 11479.81 11615.2 11285.84 11366.54 11364.16 11444.19 11334.95 11364.61 11445.88 Butenoyl-PAF 812.32 464.94 2886.17 402.52 1407.12 1255.08 2717.28 552.09 600 390.83 570.34 867.85 1490.43 804.81 535.09 2582.97 800.54 1148.55 1751.11 939.21 663.07 871.39 1414.1 567.45 670.04 489.97 493.77 636.41 2487.52 718.47 853.82 1127.7 1005.26 1332.8 448.37 759.02 909.87 837.75 415.42 1302.1 1646.04 1045.11 524.99 1070.97 656.5 2853.54 1092.6 845.9 1800.37 1031.89 576.05 945.41 1380.31 2565.21 1524.51 985.16 1198.77 906.35 1220.57 1081.07 1071.72 1079.4 882.57 2136.82 424.1 590.32 1131.42 726.76 922.86 1202.93 707.04 476.77 482.19 979.43 1532.08 1196.33 1289.21 1296.62 1234.26 1483.6 1145.68 1182.14 1319.78 1289.92 Naftopidil 628.88 626.05 190.92 1229.5 676.13 30126.29 3516.38 1967.58 1771.03 4489.45 703.9 917.65 822.87 1232 381.04 1777.05 309.65 184.56 247.9 1142.72 503.15 15567.99 1111.36 1537.45 255.9 8060.6 322.23 334.99 251.21 1206.63 185.73 188.07 1541.86 455.24 350 193.61 190.96 16810.22 365.93 499.39 2495.65 674.69 333.88 526.82 2361.98 653.19 238.03 714.38 192.95 2200.29 377.05 412.11 1070.39 714.53 1284.22 309.69 1617.14 1734.29 819.24 6766.58 331.08 356.68 856.66 736.7 1089.17 716.08 2413.08 213.94 559.35 258.79 1723.08 3168.26 777.91 592.19 222.01 2044.33 1916.88 2078.92 1970.27 2020.21 2044.61 2040.15 1977.04 1567.22 N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide 4340.7 6974.56 2456.28 4376.97 6417.39 12875.12 8037.69 16761.83 18820.17 2476.94 8845.1 13309.96 1618.13 1239.4 4772.2 14940.7 8481.52 1020.48 4940.9 12840.84 17778.93 3787.88 5178.74 8569.17 3508.55 3654.49 4287.18 3602.24 16451.9 5190.33 7208.46 10535.88 3510.26 14395.78 9226.16 11850.66 6916.96 12139.6 10165.59 1774.96 6192.86 10960.17 5829.03 7132.89 15127.5 12271.94 9465.04 18558.78 18754.29 11443.25 6156.88 19642.16 9092.54 9706.47 9706.07 20269.84 10516.3 4811.52 17968.49 38098.59 6726.77 7251.45 16860.3 16029.35 6076.49 10164.32 23080.92 3553.14 5944.98 8431.39 17758.57 5979.07 6680.82 6814.67 10745.34 9286.96 8659.95 9451.81 9186.65 9274.79 8806.22 8674.29 8876.27 9120.03 9alpha,11alpha,15R-Trihydroxy-17-phenyl-18,19,20-trinor-prost-5Z-en-1-oic acid, isopropyl ester 22626.68 26654.82 17469.01 18330.44 24928.04 25402.99 12595.02 16235.56 16878.5 22255.36 13741.4 15293.97 16496.55 20016.98 17044.85 16279.05 22797.03 23091.93 19908.48 19555.17 19752.02 18958.38 19257.04 15526.08 18807.86 25285.02 19285.47 19632.11 21947.55 25069.74 17252.01 16667.68 22455.29 24305.73 16685.7 23356.17 23447.93 32342.26 18893.83 24989.69 17384.41 16220.52 15121.21 20582.74 16498.78 14536.07 16297.74 16962.43 12490.95 16674.97 18524.89 16955.82 16470.97 17222.22 17439.41 21211.54 17441.52 15721.32 18825.7 19718.53 20893.64 20437.25 18323.59 19497.05 13861.28 13145.21 18712.96 15039.29 14737.48 17306.74 17628.17 18170.18 14527.21 15196.24 12312.76 2116.73 1446.89 1530.06 3643.61 1849.37 782.76 2640.76 1932.7 1860.01 2223.86 946.93 2342.96 2676.45 2282.38 2774.32 957.04 1212.88 1921.19 1604.45 1772.25 2554.5 3241.86 3237.09 2372.22 1922.6 16732.45 17004.84 17009.87 16919.4 17011.98 16937.27 16906.39 17009.89 16906.85 Leu-phe 20097.28 6505.25 4146.5 1724.57 49760.92 9167.21 28858.64 82183.61 73488 42186.4 18479.27 14374.35 25193.73 890 68619.99 41469.26 14496.88 15500.79 26552.65 46509.26 42587.7 25913.15 15806.2 8357.89 86326.01 46320.17 50848.09 14186.33 58690.2 4503.91 17614.03 40660.39 35253.25 29102.06 24262.28 55810.95 54549.35 9509.65 9647.33 49420.74 6994.91 16233.29 62932.64 13195.27 21065.91 18571.12 34166.89 27818.87 25018.38 27524.51 39644.58 1229.7 32055.42 45735.22 65394.99 16630.81 4319.73 5590.16 32401.78 6112.38 9821.69 21096.62 55133.86 36575.59 39440.38 48989.09 12855.05 15276.06 16862.03 69903.21 53749.81 23686.72 6754.61 32724.55 21825.55 30402.19 30765.32 30661.45 30753.41 30757.83 30753.54 30594.74 30635.45 30441.21 Ethopabate 9364.29 6843.85 651.06 1502.45 14528.47 1703.18 1666.26 17067.89 13666.28 4688.58 4326.36 4237.31 4399.09 2702.46 11733.16 6009.45 3426.74 2784.26 6842.86 6149.03 12756.43 6897.8 1842.21 7060.4 13127.12 11824.49 3278.83 4394.97 7614.05 3254.45 3568.12 4483.34 6574.94 4099.96 2374.72 5428.01 15144.75 2231.33 3031.89 2148.35 8895.61 11248.35 3741.62 3489.07 2196.96 6007.96 5267.14 5096.36 2958.39 6206.91 11009.99 12797.57 3307.83 5019.18 7489.98 11162.34 1369.89 1547.26 12544.47 1016.74 2846.89 2956.15 7748.13 2946.21 2923.94 13956.76 11261.43 3911.38 3734.3 13170.57 13983.42 4460.42 3278.66 2519.36 4487.51 6632.63 5410.74 6681.11 6266.57 6875.37 8185.93 6427.05 6205.1 6237.16 Trp-Thr 15298.86 7649.28 3282.39 3330.35 12225.86 1561.29 1385.75 18301.27 23227.4 6689.09 9917.04 10713.79 14002.78 2309.54 5128.65 5775.74 996.68 19186.45 4837.71 40698.29 17194.87 7583.37 4072.1 8166.41 12777.8 8072.06 4534.48 10209.53 10427.12 7452.94 16747.15 3052.74 4190.09 5807.78 4604.86 19769.86 23068.45 7158.52 11017.37 1713.96 19342.08 31705.02 2978.28 4391.61 25995.04 10426.12 5414.93 8647.7 6396.41 9979.11 16565.84 7193.81 8929.85 11391.42 4544.96 9497.79 533.37 1581.26 12428.34 6416.15 2973.16 3624.4 5057.22 4186.14 816.83 18104.79 9910.76 8368.32 7687.56 10553.54 7716.32 4658.67 7474.45 4557.1 2281.48 7972.28 7508.54 7973.97 8850.53 7446.09 7553.16 7708.68 8056.61 8049.8 Octadecadienamide 19081.54 12427.07 21893.99 12608.44 5513.41 6079.65 8168.33 9585.15 14121.64 12051.2 11373.29 10208.07 6651.15 18122.16 16018.05 6417.43 13078.13 20468.82 14121.68 32043.85 13975.74 12497.88 14482.79 16487.94 12281.27 21130.61 21969.79 15913.7 606.99 17037.71 13209.56 10110.56 11776.87 18731.32 18087.31 16448.83 14236.49 13802.05 15176.95 23896.95 9590.48 7237.26 13679.79 17312.7 10054.6 9803.13 12189.33 11763.93 17193.76 9922.64 11286.03 6833.08 16427.45 14532.06 12230.64 10199.08 5760.24 7138.6 5306.18 16530.83 17897.53 10861.63 6246.87 18240 7354.87 10225.12 7524.66 9082.35 17634.72 8579.21 8612.56 7678.93 10675.25 14871.96 9568.95 11161.25 11151.19 11342.49 11154.42 11151.56 11230.18 11650.83 11334.87 11341.21 LPC(20:5/0:0) 8878.22 4109.64 7287.88 7454.72 15756.37 27919.31 11053.3 13023.2 7792.96 11176.13 2499.87 4647.57 15024.26 9715.73 596.36 14155.16 1716.7 15071.32 4829.95 2147.08 5159.23 4593.43 11366.23 4840.54 7246.06 15432.38 1135.13 6477.93 19874.17 12480.65 5780.32 11949.22 12111.27 12720.85 8557.32 6899.06 9338.32 13739.79 9014.34 10068.74 7914.38 17171.62 5243.8 3005.28 6624.77 7040.12 9854.81 9017.74 2260.2 11868.04 8115.2 13713.73 9773.34 7235.5 4548.83 10446.8 10109.94 6845.36 13800.87 1872.1 7170.28 7617.48 14641.51 8783.39 1309.17 15628.92 9302.92 6186.07 2054.85 11471.37 7187.77 8908.47 1372.17 2608.11 8881.85 9750.11 10554.3 9816.64 8379.6 9165.63 10014.29 9650.41 10017.09 10002.13 Sdccgsbi-0051046.P002 3801.47 1338.31 509.99 733.5 5305.32 1077.14 1289.86 5619.58 7017.87 577.36 792.74 444.11 634.24 287.69 4679.38 5457.01 269.93 2316.67 1616.89 6155.63 2882.12 1172.28 547.47 666.52 1571.42 917.12 328.51 2199.31 2968.14 503.99 288.98 3230.03 373.38 563.98 749.3 2678.02 4792.83 538.99 1028.79 1947.6 2318.79 6447.02 452.51 755.89 3813.65 785.67 651.02 1220.73 2772.39 1165.17 583.04 1079.64 649.48 797.78 3737.62 1447.08 273.71 6223.74 1625.1 3626.56 369.48 688.57 3579.94 1033.93 1387.96 4536.94 838.88 737.98 1788.48 5313.78 4945.35 742.72 2724.44 1031.9 612.9 2498.54 2335.64 2557.01 1657.85 2461.84 2588.56 2624.06 2482.03 2152.99 (S)-3-(2-Methylphenoxy)propane-1,2-diol 10669.07 7948.59 11306.09 14791.06 10776.16 12451.24 18353.17 12114.5 11885.92 13146.63 16373.93 16572.36 13936.96 14193.82 8628.08 18755.14 11305.62 7801.91 18090.32 10773.29 10053.01 7121.44 12361.89 16634.06 10662.7 8669.91 16902.21 18967.5 10617.81 11559.48 10489.01 21029.16 5131.85 14708.55 16314.77 10831.83 10364.62 7676.65 15141.32 13069.91 12423.76 18491.87 18491.4 12736.16 11512.8 13133.38 9160.57 13939.06 15388.87 21349.16 10440.84 8642.06 13894.89 17899.91 8539.54 6886.82 8201.06 10520.88 8173.93 6705.6 11109.25 11170.63 7589 12498.63 12604.92 9551.77 11389.87 15703.53 15222.23 9586.74 8253.05 13728.34 13916.11 15385.7 15582.16 13408.98 13582.81 13643.83 13150.32 14802.09 13268.05 12881.3 13650.77 13836.07 Asn-Met 775.11 2509.63 508.13 667.83 1133.34 1171.1 1326.06 1310.3 2681.86 1418.22 680.69 1111.09 969.61 878.07 1673.55 1179.41 544.91 1303.27 860.02 710.4 1021.4 1297.86 683.94 1107.48 1504.02 1961.41 449.47 843.43 698.51 726.01 698.81 1178.03 1191.49 783.64 708.69 1085.39 4061.27 944.6 716.89 537.6 1542.58 662.94 1424.29 817.01 1717.29 1022.61 1286.27 1013.59 696.87 1580.26 1250.87 889.68 1011.74 966.45 1026.66 1133.63 700.39 341.12 2752.12 1039.94 971.73 550.96 1858.09 1412 670.61 1119.57 1627.55 411.75 746.68 2593.88 3093.15 1116.8 537.71 2096.23 820.18 1515.61 1533.12 1689.04 1668.16 1113.57 1679.96 1680.51 1575.83 1655.52 Iloperidone 333.98 512.6 970.58 797.96 835.29 581.49 1996.05 803.81 485.98 6637.18 850.15 362.15 322.29 282.78 958.61 410.19 1185.78 1012.09 574.59 398.51 1140.59 1311.46 883.46 323.84 364.69 489.75 385.55 1460.53 732.86 695.5 377.49 220.16 447.96 2542.57 1017.73 1587.76 2040.92 11481.11 286.12 589.81 5890.57 2661.79 1007.39 6252.51 1472.27 2860.91 1466.12 2277.39 1290.68 3630.45 4590.12 4741.26 2675.18 363.83 1808.63 7276.66 206.62 1539.55 3104.76 1600.76 2277.53 257.85 4282.92 2121.13 583.73 2065.18 7058.39 6884.37 5902.35 947.36 1597.33 2547.94 681.66 1772.31 601.14 2746.21 2474.98 3482.52 2899.35 4013.49 2213.62 4238.31 3262.71 3003.26 Ile-ile-thr 1105.83 13108.38 11379.26 355.63 1086.42 2284.84 977.58 33615.72 29081.86 20753.02 8449.07 1782.05 1054.35 1286.04 24156.44 3029.83 1588.85 19290.39 3004.04 20125.99 4577.97 10173.48 370.8 7388.8 32975.02 32248.01 16306.59 844.63 24792.57 492.08 1868.55 1614.26 17097.38 2400.85 17256.13 14770.02 14497.55 1351.1 3045.63 27327.46 1074.17 1266.35 25026.67 476.15 9368.93 451.02 9907.92 2956.63 828.62 1521.37 2329.82 2749.86 9223.24 23482.5 17100.05 2084.39 7484.31 25202.07 18852.24 1773.6 925.76 680.59 31476.96 27473.63 30388.79 13703.97 3142.65 3008.21 3799.57 22444.48 37671.9 1090.47 12807.81 37506.67 5043.48 14282.4 13942.96 14217.53 13590.84 13573.63 13672.75 13804.59 13937.1 13692.77 D-Mannose 6-phosphate 379823.01 346470.66 442707.6 342557.87 422436.41 157869.31 395793.28 748834.62 528000.41 409805 113528.77 270316.66 403416.97 395393.76 364606.79 337662.82 287676.52 385941.47 496207.42 301001.57 606665.59 189827.33 308518.58 374359.97 454621.68 414973.72 449231.22 459194.03 505487.3 263828.67 304371.56 367407.57 285864.64 430822.56 333947.23 504293.96 387934.27 102304.36 334394.6 266475.77 218932.92 305164.44 394745.6 308083.94 401680.35 209243.24 443811.1 402986.93 201982.61 272422.42 220059.73 268612.86 337734.8 211595.75 352483.11 362642.94 316058.34 269858.43 339590.21 132996.26 281185.78 277351.77 301072.89 303666.17 367462.23 325098.67 270336.33 471246.05 375616.01 435828.59 286343.96 282385.24 127025.35 186780.78 279054.8 49353.04 41729.46 48802.23 88588.1 70118.64 35481.62 39761.08 46267.91 47866.23 23669.24 19929.45 23719.3 37838.28 44500.87 47852.19 58210.5 40292.86 47871.55 103933.77 28449.75 34396.33 45327.75 81547.09 58500.81 50306.25 322721.11 322671.41 325344.04 322630.84 321442.9 322682.13 324624.04 324953.76 324580.16 Bisacodyl 3837.98 3227.81 1860.27 887.83 6229.73 2226.89 1897.19 5744.55 2866.26 663.72 1520.54 2119.23 706.97 694.83 3286.31 2400.99 1311.84 1481.94 2395.05 662.46 1728.55 1851.4 401.12 1116.63 3757.51 1715.54 4363.47 898.37 1024.09 651.1 2643.13 3809.23 1942.98 3517.14 2205.02 6994.2 4664.4 547.51 1723.06 2180.25 2485.82 4335.05 2210.05 1745.18 6015.65 730.61 3330.03 3941.15 4622.83 2400.31 5444.11 3891.74 6255.78 3415.51 4547.15 1376.36 1877.15 527.98 4995.44 1877.42 4873.39 4658.05 2089.09 575.74 1640.43 4294.56 1531.49 1544.18 748.57 6734.05 5369.3 2427.97 2940.77 967.35 3285.89 3645.94 2963 3082.08 2825.12 2866.1 2838.21 3041.49 3047.53 2822.01 2-Aminoadipic acid 4117.27 9549.68 7880.19 11783.39 13513.85 9785.88 11101 8876.05 9666.1 9854.41 8441.87 7277.42 11257.16 8084.08 9484.91 9748.3 8079.13 9112.15 10681.05 901.44 8344.7 6984.06 668.81 9502.27 11008.68 11700.71 10631.74 3474.46 11613.06 12021.11 11654.57 11308.18 5130.12 14148.44 12460.9 9442.1 9232.45 7981.24 8544.54 11962.14 10867.02 12762.3 10145.49 7403.6 12318.35 8642.9 11503.6 10377.98 13796.61 11769.85 12593.67 8865.05 11886.19 13944.83 11633.75 8241.08 8500.06 8332.67 9532.93 9156.58 7780 11182.65 10282.65 17697.4 11523.3 13270.52 11558.15 10085.07 8692.17 11268.32 6937.54 8690.29 9897.53 12835.82 10479.46 9645.16 9348.21 9676.05 9385.22 9152.08 9415.83 9616.39 9617.42 9532.27 Ile-Lys 4704.42 13548.4 5014.21 6565.02 29134.95 10403.11 7325.03 23363.02 26102.53 10697.23 4126.4 8225.57 6774.05 4745.06 27728.33 15852.89 6741.02 12564.46 11548.67 18386.25 7424.72 4680.61 4027.36 6831.74 28600.24 24373.65 11953.31 5238.32 12449.03 2044.05 4137.18 9210.95 11116.22 6648.89 4441.61 15545.54 13865.28 4392.68 5630.09 7746.68 766.92 6412.05 8392.91 3284.03 7722.92 6310.4 10558.15 7461.56 4901.16 9933.1 7952.91 4118.52 7229.65 9760.4 9863.6 10759.56 8121.93 8086.15 9958.5 11178.25 4838.19 5182.65 9337.79 9501.4 10039.98 13553.14 5530.32 7004.96 7464.21 17539.68 12001.22 4733.99 5570.59 11681.49 5596.9 10356.08 10540.77 10552.17 10402.99 10777.84 10766.81 10755.55 10960.75 10770.12 Trp-His 12412.71 7836.57 919.64 626.59 9992.79 2535.52 6892.33 9428.05 13496.97 12866.68 5802.46 9226.06 6384.71 6764.04 8969.23 11569.7 1416.96 14487.49 5448.63 14458.06 13097.74 1343.06 2993.82 6551.09 8121.07 9046.23 9989.51 6575.74 7101.32 5294.81 21996.42 12181.22 5849.71 11991.65 9306.99 12423.39 21917.37 706.56 5684.79 5791.23 17907.14 14056.25 7660.73 10883.87 21300.97 11306.3 17920.71 6569.51 9462.15 17133.51 3175.3 787.42 11732.56 12415.3 7348.85 7655.88 7235.43 2699.56 9082.79 808.31 8684.41 1634.19 10446.41 11082.79 11713.12 28984.15 5269.34 11225.82 3393.2 10989.18 20606.54 9829.9 9745.83 2977.54 10899.04 15350.79 14833.37 15852.83 15327.68 15328.4 14825.96 14743.73 13543.27 15019.01 Ciprofibrate 4890.24 6909.09 5379.53 5243.62 3745.17 2247.41 4102.74 6229.87 4856.19 7004.14 5855.79 5506.86 4501.72 6302.07 5147.98 5395.61 5168.69 5045.67 5354.7 2132.45 3422.14 1031.38 5867.7 6154.2 5584.25 4984.7 6799.92 7304.01 4972.71 1317.85 4119.85 3342.54 5424.86 5484.42 5767.75 5631.82 5518.03 5565.96 7127.66 8021.86 2727.68 4352.68 5615.61 6180.82 3258.25 4373.88 4605.71 4989.63 4869.49 3081.62 3858.18 4802.24 5340.1 5593.15 5525.88 4493.81 5459.88 6010.25 4147.61 4898.35 5038.21 6116.3 5177.66 5328.98 6092.03 4988.32 3857.16 6800.59 6372.16 5247.88 5045.93 6012.95 5745.69 6445.3 5520.2 5219.53 5171.51 5273.02 5228.32 5162.99 5098.73 5225.39 5196.74 5161.55 LPC(0:0/18:3) 13847.6 2221.4 17380.15 1054.94 1498.74 36478.91 16162.83 7359.72 3085.89 2971.3 5407.99 20889.76 12264.77 7397.17 999.2 3884.08 1756.06 1890.65 5472.5 3791.45 15931.16 2886.55 8199.21 2259.06 5584.52 6375.34 10928.8 7085.12 4449.56 2085.31 9396.09 1669.41 3103.83 25124.27 18404.66 26896.19 11326.71 37885.49 6939.26 9353.71 30677.63 26431 12249.43 14324.22 28053.12 16202.79 14128.8 6745.79 10809.7 14193.19 24940.31 23148.24 25797.65 24505.87 14066.75 11493.25 17366.03 11112.91 5740.12 20517.78 19774.27 34774.96 25710.62 23238.49 2357.56 46877.36 4350.69 19520.18 16830.09 19113.71 3293.55 10760.79 13256.53 24112.01 32537.76 11146.95 8838.16 13457.07 10885.36 11900.92 9894.13 8317.18 12617.64 11934.9 4310.89 5211.43 11995.3 11353.29 10563.11 9527.32 4458.24 9215.45 12773.05 14994.48 6802.61 10842.13 9479.8 8029.64 11248.97 7423.55 11699.19 14997.33 15933.14 15245.3 15524.07 15562.65 15571.63 15067.67 14949.17 2-Hexadecenal 2703.19 2299.19 12210.05 3921.33 752.94 3315.06 3179.97 2785.34 4703.33 1015.09 1179.16 3673.18 3004.71 1634.32 2074.91 6426.76 2430.23 2754.27 2249.17 3508.07 4459.01 2396.37 4244.33 2846.91 4231.15 3690.19 2630.54 1864.81 3489.38 2868.4 3967.51 636.44 1208.14 865.62 1336.38 3873.19 3536.23 1427.69 3306.85 1187.63 1668.58 5155.64 1623.95 1889.43 4483.34 3784.82 3517.5 2203.17 1026.76 3242.6 2021.71 2221.32 1462.99 2236.06 2319.86 1952.97 9317.56 1698.82 3279.39 1001.12 5560.62 3008.73 3968.77 918.35 1038.75 3703.58 3171.57 2251.11 3803.42 2890.34 1655.8 3468.02 1127.97 557.92 4864.53 2851.5 2980.78 2733.06 2426.35 2050.92 2628.92 2724.57 3039.85 3012.07 2655.78 2915.08 2628.7 2287.17 2570.78 2870.66 2709.35 2475.64 2942.13 5330.2 3078.04 3028.36 5449.74 3339.92 7373.73 2824.13 2808.62 2802.63 2789.57 2774.81 2880.17 2851.73 2790.21 2888.77 2880.38 PC(O-16:0/O-1:0) 9076.71 7820.95 6302.93 13419.36 9809.66 14868.63 45701.86 6296.04 5348.44 6051.13 4881.34 5073.93 43234.17 7176.9 5302.49 9202.81 6451.93 7833.76 9199.28 7845.16 6898.64 5244.63 5487.29 3635.35 5507.83 8027.93 7430.43 5689.06 8449.99 7483.99 9409.87 14407.09 6356.3 21164.56 10943.19 7289.63 7278.87 7893.36 5325.66 6852.06 10217.31 11597.67 6218.54 5925.33 8482.31 26030.93 8013.98 9332.3 9331.49 20181.86 8204.91 7893.02 5589.34 10035.86 6745.34 8056.87 6272.51 4649.17 5737.81 5881.71 5491.77 10150.59 6244.9 5963.53 5285.13 6001.04 9301.82 5662.61 5347.07 5379.8 6141.63 6473.14 5357.83 15438.2 42314.2 12761.2 16464.2 13641.05 13800.52 14317.66 14223.55 14318.62 13881.98 13415.68 Penfluridol 8725.62 6195.13 10878.26 11871.33 7476.42 12056.72 13686.99 2782.35 6059.06 10968.51 11139.33 10630.21 11000.49 11792.62 1731.89 15966.69 5359.15 5899.54 13515.68 3418.01 4926.16 5992.59 9148.88 15217.91 4790.79 6952.37 17353.34 18019.45 4358.8 10094.03 4844.4 16676.86 1928.05 16534.77 6716.74 10202.01 7236.52 5879.27 13028.59 12060.02 5771.07 10874.66 12398.3 8529.34 8253.16 15598.18 2495.67 10580.34 10376.53 16104.43 12315.09 7000.56 13116.59 17197.97 4401.67 7415.02 6722.4 9842 10750.41 4359.84 11583.09 11091.31 9056.8 18034.51 6636.33 6071.73 5961.77 15662 13796.16 4757.34 2921.26 9694.08 9567.01 17770.69 16914.33 9374.37 8864 9371.65 9083.93 9374.38 7014.21 9239.05 8759.09 8597.42 3'-Carbamoyl-6-hydroxybiphenyl-3-yl cyclohexylcarbamate 7597.73 1033.3 9792.72 10367.31 6131.98 1990.9 11367.88 14131.08 7310.74 6851.34 17978.8 17968.29 44498.84 9699.23 11866.63 5917.69 3369.32 5351.63 19076.92 16482.39 13095.96 5376.2 12922.16 15805.12 2691.81 2645.35 10587.19 16772.09 1453.31 16865.88 4990.51 25027.68 12766.86 14828.79 11313.04 5701.64 3108.87 9110.66 12880.68 11100.85 7954.3 8925.55 10656.51 12731.5 13568.41 2731.21 7717.37 22301.66 6841.45 15294.22 5228.36 1492.27 12803.52 9591.37 7061.68 10545.82 4060.8 9736.5 9213.88 5832.07 10327.55 7627.43 8683.55 16795.52 6326.57 2683.34 2784.7 14363.41 18246.89 2990.2 13886.49 13652.11 21027.19 9615.96 9823.81 9676.69 10830.2 10072.93 10085.47 8855.98 10119.92 9766.01 9900.87 7596.07 (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylate 13371.11 1363.72 1563.39 1888.21 355.65 7130.05 2335.87 575.58 12981.55 6986.45 2613.11 1427.11 771.81 926.47 9215.7 836.89 1622.64 703.78 1974.55 12322.07 1641.72 685.59 1532.26 1580.01 3305.8 7527.43 2372.55 2087.62 3494.89 657.05 3346.2 1231.1 3485.92 568.17 933.62 344.33 3160.6 5403.09 588.29 1741.28 486.14 15455.52 2168.32 1441.66 3750.36 672.62 2524.95 366.66 1024.27 3781.66 8339.45 4315.15 461.38 958.86 5315.86 1203.94 567.36 661.21 3589.3 1894.64 1049.6 1613.85 5667.49 2327.44 2357.93 7545.65 4303.45 1202.51 452.39 2654.05 2900.12 2288.08 3418.83 2227.63 692.05 3407.5 3480.26 2899.52 3013.79 2476.09 3036.1 3151.12 2787.84 1787.29 7-Amino-9alpha-methoxymitosane 916.08 1264.93 885.6 844.4 2063.61 635.57 1766.54 629.25 2696.25 2291.85 936.04 1040.09 1436.33 1546.35 4135.61 588.68 767.12 1744.76 2084.84 5810.05 2676.32 1640.53 1610.47 1408.1 508.61 1366.27 1411.04 802.1 1711.87 1221.45 4560.7 2078.44 1087.81 696.06 692.94 2764.92 2116.84 1705.61 849.6 1537.49 1853.46 2895.84 1223.97 1018.75 3306.26 1178.97 4385.41 2237.64 1121.09 4237.34 1693.98 3478.56 540.54 1596.61 1058.69 2862.43 992.86 992.63 2751.17 1434.28 1254.87 924.87 1789.26 1814.43 1851.73 2769.33 5294.18 510.74 473.58 970.59 4241.56 544.43 1019.74 724.63 954.55 2550.72 2672.9 2451.86 2692.83 2780.04 2536.92 2554.86 2893.83 2552.36 Caffeine 4551.97 540.04 1735.2 1449.12 6790.23 1119.18 2206.41 3926.26 2226.72 712.37 2003.17 557.82 547.61 1829.65 773.09 716.88 1143.42 2885.34 1724.69 1340.19 2484.9 1166.08 777.76 1165.54 5480.86 2095.53 1925.51 808.77 2424.85 997.24 4945.62 1960.29 1250.15 802.94 1370.38 2409.5 3111.39 914.17 811.47 692.25 2846.16 4285.14 1366.48 1034.27 3622.11 1628.88 4316.96 1445.93 1936.76 683.36 1804.92 604.66 1681.96 595.2 3542.39 1433.24 2585.52 2083.99 2280.75 1058.49 1502.49 1688.07 3358.9 1421.8 896.4 4182.68 2912.87 1339.08 4326.15 4621.11 4699.65 530.37 2595.78 1017.98 1037.25 1562.83 1559.93 1341.07 1531.17 1338.14 1521.96 1340.55 1593.74 1430.5 LPE(16:1/0:0) 38702.4 34509.16 47340.24 24712.77 8097.91 26725.82 8620.39 30966.43 58277.97 19251.73 39028.88 13565.19 18183.57 24545.2 49000.42 3087.63 25771.57 491.16 575.91 11490.26 31008.22 4060.34 13669.46 31151.6 23371.24 16175.54 18000.11 25356.75 14775.89 24628.81 21662.51 9616.37 10344.81 32119.86 60154.41 21845.07 39455.3 16382.48 18851.62 22687.91 58576.56 17174.67 30354.47 60747.89 20362.92 12533.88 24820.48 13942.27 16002.18 13876.06 17685.6 34594.55 27998.22 21435.98 42963.68 57742.7 59973.04 59310.73 22845.51 6062.06 28231.31 5158.45 114983.44 41553.86 38716.13 15089.66 44975.2 23174.28 31352.1 29121.5 17772.98 4956.63 42791.3 46602.06 22356.79 517371.63 361914.32 615157.74 462287.95 532930.3 264549.61 140443.54 769779.22 516624.82 36593.17 35498.36 127906.18 133363.57 658482.83 72718.6 222207.67 152661.52 622661.59 286568.19 87641.63 344493.06 137127.49 212723.66 354863.59 1093131.14 27159.58 27436.35 27133.07 27140.92 27439.6 27138.28 27437.75 25977.53 27445.58 Milbemycin A3 oxime 3082.79 1411.42 63734.27 6727.64 3317.91 11300.42 9720.36 4760.57 5571.63 6198.93 7894.57 1104.17 9915.22 7837.77 1069.97 9350.03 11502.54 1352.52 878.64 468.56 2158.26 606.64 7295.56 1118.97 759.72 654.81 3489.08 2269.58 1565.53 1213.12 813.45 22161.97 5654.18 6426.01 4488.64 3969.37 2611.49 9634.78 3763.73 3150.52 10051.45 8510.05 6944.24 5290.94 8909.61 5058.02 3885.03 2047.16 1079.68 7631.21 3099.54 3435.53 7145.57 10976.26 13533.52 5951.61 46831.9 14669.35 2979.66 6547.8 20580.99 7222.69 5480.53 12656.07 4956.28 4785.26 4926.42 6686.76 5175.97 4302.77 2196.77 4239.59 3393.47 16961.77 7540.3 43777.7 39224.49 52098.29 44472.66 38219.5 39447.64 24497.39 52725.52 48600.95 20167.64 12711.48 32567.1 33957.63 48402.04 16416.78 25528.64 24108.34 79389.79 43137.79 23421.53 35831.47 24009.02 31405.1 46543.08 100463.55 9531.23 9594.27 8568.57 9482.47 9526.23 9714.09 9944.73 9711.65 9595.13 Octocrylene 911.01 7375.92 7056.09 2879.14 16713.26 5123.34 12266.98 21875.49 12532.96 4650.31 888.28 1798.8 2976.17 4796.21 6048.29 7199.67 5120.19 7251.75 4408.6 11541.62 18244.83 5671.94 2142.66 1107.76 18026.36 11680.47 2946 8529.91 9276.72 606.21 6655.63 1836.48 9498.38 5775.94 6746.59 10881.82 8007.31 1006.92 7068.37 8190.09 1805.64 6995.47 1163.42 6159.73 3081.1 3373.87 5750.79 3453.04 3353.74 5889.11 7636.38 6662.49 14037.54 11256.2 875.49 8634.14 5141.22 2808.02 6664.56 3436.36 5276.5 5272.16 7199.25 8164.25 4749.78 3902.96 5855.51 7819.21 4263.86 20409.35 7131.86 15946.12 1683.33 4503 9143.08 8403.19 7267.96 6239.56 7082.19 7526.36 7556.49 3313.47 7406.26 6891.27 Nicotine 2467.7 2921.18 1094.6 2490.91 2903.48 3933.95 2979.57 2992.3 2608.51 2324.72 2019.67 1910.05 2085.48 2316.38 2527.06 2450.57 2288.91 2416.54 2409.45 3226.76 2570.11 2844.93 1819.67 2299.03 2207.33 2594.09 2343.87 2111.53 2889.5 2343.3 2536.07 2187.12 1992.71 2467.19 2715.34 2674.04 2605.44 2896.91 2256.72 2426.28 2509.99 2749.21 2542.89 2284 2466.65 2424.4 2565.54 2244.72 1994.91 2536.33 2244.4 1957.33 2326.05 2562.25 2408.9 2329.18 2067.46 2453.21 2601.28 2261.89 2098.06 2174.01 2740.62 2401.96 1927.33 2234.02 3220.36 2098.44 2332.04 2450.27 2676.08 2604.86 2625.82 2855.35 2682.79 2548.31 2507.74 2609.04 2538.69 2546.53 2548.3 2493.36 2508.25 2505.88 Pentoxifylline 52591.97 22145.6 7274.2 5114.86 47842.82 8661.17 8505.34 72129.86 43371.44 17732.38 10271.63 33535.51 8783.84 20982.8 23639.46 22971.88 14889.05 52965.42 30558.37 37991.47 50727.51 4527.17 10553.74 7711.9 81680.04 31218.12 14434.8 37616.25 63932.91 56974.44 97684.36 40521.69 13803.01 3679.19 3418.41 79947.55 46341.27 1278.98 13659.54 22230.82 84227.02 68697.76 6978.52 10985.8 57973.71 11928.82 56607.1 19508.35 35798.45 44684.86 41329.04 17171.46 5725.86 12873.14 38328.93 11394.9 2343.09 2898.48 39790.8 9236.25 6727.36 766.84 15554.17 1060.87 8164.64 38759.03 26725.84 36395.35 36399.32 49460.21 31504.68 25256.5 36281.94 10037.21 13073.75 36007.99 36015.03 35707.35 36015.09 35790.99 36045.36 35716.86 35711.99 35701.66 Xylazine 3585.8 5050.5 3449.5 4068.54 1547.38 3100.91 1159.44 2166.14 3216.79 4110.92 3094.88 1749.17 2020.02 2840.87 2553.56 2379.83 3156.1 3551.75 2083.29 7078.39 2842.72 2787.73 1828.86 3062.24 1444.11 4047.37 3473.71 3455.34 3072.14 4643.61 3205.89 2350.83 1987.17 2907.26 3035.01 2899.45 4126.19 5130.22 3350.91 3642.92 2215.66 2843.44 2120.37 4431.1 2495.19 3173.04 2578.18 3903.77 773.55 2188.38 2714.14 4344.77 3009.4 3211.96 3153.52 3452.13 4412.86 4201.31 4542.34 5426.17 3394.43 3993.65 3171.57 3215.72 3649.47 3095.88 3477.81 4075.09 4888.39 3001.34 3473.71 2560.98 3001.91 2767.36 2478.91 9684.42 9921.98 9178.52 8973.4 7760.34 9697.57 7663.68 7257.95 7744.53 9124.66 9568.22 6441.78 10025.39 9534.42 10804.6 8594.29 9762.84 10872.6 4408.05 5811.53 13841.48 8115.19 8233.23 7406.2 5301.04 3059.74 3008.94 3119.83 3117.7 3225.52 2868.57 3110.92 3111.52 3017.13 Carbetapentane 6399.11 4957.91 5939.51 2381.92 3260.85 2711.03 4643.7 11346.87 3525.83 6631.17 9107.69 2961.19 1801.08 5870.81 7379.1 3559.25 2386.17 4745.66 2087.64 6885.19 9067.23 1423.67 4788.44 6608.43 1887.32 8901.13 2407.18 878.13 1875.42 4667.48 10121.05 7402.96 2662.09 6335.84 5206.02 3102.69 5626.89 5596.35 2286.83 5018.34 3666.84 4497.34 5806.92 4052.89 6259.8 3481.46 2928.16 6494 7285.15 1248.76 3193.24 5012.8 5057.39 5115.83 7793.36 6758.02 5375.23 5344.17 2732.49 2267.41 4130.69 2593.31 5610.67 4794.14 4111.56 4352.94 4233.3 4535.5 3859.31 6100.34 9303.37 4207.46 5235.16 4290.65 3422.69 2958.26 2923.73 2964.68 2770.78 2991.27 2742 3000.49 2144.95 2374.02 LPC(O-0:0/18:0) 26163.44 18264.48 13178.28 83359.14 30475.31 24936.81 8880.87 16440.36 15058.86 15209.28 7508.25 15281.24 24914.63 20498.59 16308.15 38766.88 15044.87 23599.02 7071.37 19517.02 21977.16 18503.25 13082.47 12375.43 16810 23076.37 2084.06 12789.19 3963.97 13679.32 20265.91 136060.19 19222.27 8416.05 27383.66 672.78 18788.25 646.24 3845.73 2914.13 43925.76 60394.97 582.97 999.48 1215.25 310063.09 2163.14 13621.4 970.08 23454.28 6161.97 19991.09 4373.81 8873.09 15330.98 17568.76 649.51 571.1 20785.66 14311.72 286.81 4412.85 14331.81 2889.71 6335.59 52798.37 569.83 530.89 5159.04 453.16 14591.49 481.93 749.75 41637.44 17919.5 24865.88 27029.89 26833.09 27100.03 27468.5 27463.94 26922.74 26875.86 29618.07 Racecadotril 23339.95 1345.58 5816.93 968 2974.9 2501.79 3320.73 24954.07 13469.87 34367.98 1596.42 23235.43 13459.91 15133.34 18563.97 28765.52 10449 924.4 27806.9 7705.56 3120.73 4267.63 573.28 4452.08 22805.19 7558.5 780.85 653.02 25345.15 2453.51 3199.44 34249.13 17902.12 8952.53 17235.96 21368.56 10552.58 9896.33 11022.69 3613.53 12556.13 18213.84 20589.66 5091.16 13476.01 5247.46 17530.67 14850.7 42929.33 34203.06 25159.13 21843.47 15275.58 8633.32 15418.36 21075.89 6917.56 7761.37 18080.53 27386.67 15746.23 8513.33 12416.29 15063 12219.2 23876.15 16220.85 22295.1 11539.76 15778.67 6262.29 19228.63 12421.23 6630.11 14736.22 13392.25 16648.28 15456.6 15279.7 14527.61 14554.1 15348.56 14929.7 17130.7 Hymecromone 4590.28 4435.12 2513.95 2752.99 3352.81 1869.71 2918.73 4876.43 7291.19 5456.49 5206.89 5381.76 3872.79 4759.04 4687.91 4190.42 3047.39 4926.03 4733.51 5813.84 5441.41 4459.61 3496.96 4062.86 4367.5 5286.71 3835.01 5387.92 4677.36 6145.78 4635.76 3177.02 3982.12 4751.05 3537.28 4307.63 6154.73 4336.01 5850.51 6953.03 6632.17 4086.18 2744.51 4281.94 3872.22 4374.6 5192.81 3967.29 5422.06 4102.66 4101.78 4421.2 3902.16 4240.02 1920.27 5302.08 1569.7 2439.66 4500.59 5078.7 3220.78 3483.61 4590.49 5730.79 6215.75 4179.99 5345.39 7660.12 7055.26 5393.02 5381.53 5123.13 7110.71 3190.31 6046.86 4948.23 5041.8 5171.8 4834.84 4908.61 4924.06 4958.93 4997.9 5030.06 Cys-Phe 763.17 4626.92 597.81 898.37 4576.48 5634.92 680.99 3075.99 4195.88 3353.7 1664.77 610.03 1890.6 1498.11 3219.86 1802.68 1913.61 2396.94 6262.14 5304.75 2751.37 838.57 1396.22 817.39 2553.98 5419.33 623.01 488.12 5885.05 653.79 1322.15 5646.64 771.85 2117.51 2101.05 5412.16 2265.49 5997.08 814.69 3141.08 1226.68 4641.99 2076.76 484.67 3092.09 4340.67 3058.09 1115.77 1522.2 3431.82 1715.84 2919.81 536.1 919.55 497.93 1229.76 570.84 3311.42 3261.59 1455.01 1241.41 2571.68 2494.39 1580.24 2835.45 1784.78 3685.25 425.32 443.5 2483.87 2407.84 2922.22 458.26 2742.01 1745.01 2403.22 2754.64 2818.74 2839.73 2503.64 2275.5 2839.12 2509.83 2112.45 1,10-Phenanthroline 619.14 999.83 2939.79 2854.17 1402.68 1325.96 4000.85 665.13 2021.98 4255.52 4083.96 3731.5 3348.59 3586.24 618.37 5102.16 2903.01 1060.45 7036.86 1526.08 945.59 1167.3 3488.46 3638.28 2064.17 1437.64 4142.79 5192.37 1184.93 2011.58 1075.95 6679.98 718.78 3515.93 3972.09 1743.21 1081.84 1322.17 3928.94 3139.41 1088.81 1648.11 5176.6 3070.28 2360.43 3140.61 1461.79 3713.36 3997.68 1560.2 1320.34 562.52 4361.58 3900.48 906.48 541.38 2491.32 2282.62 962.58 1166.28 2898.34 2918.28 736.3 3173.79 2860.09 2338.48 2358.48 7919.38 3895.46 2032.82 1945.2 1782.48 3660.24 3641.41 4901.99 890.09 3022.62 2980.72 2760.9 2831.94 3050.66 3019.2 2778.35 3100.06 Ganoderic acid Md 2492.79 2668.01 6500.38 10104.54 7536.38 32142.52 24636.48 35049.65 42385.42 37402.19 33637.34 43762.04 29425.55 29326.8 6057.31 31080.5 4242.65 35171.26 43853.23 2422.84 10488.1 24530.75 4281.25 7888.96 7579.16 69387.5 28061.19 31474.75 7014.68 10143.81 46242.48 72013.48 1837.48 18842.2 16942.37 24915.37 21751.76 38999.07 17004.39 41912.84 17788.84 77133.25 21874.5 18665.55 33745.84 28587.17 20005.38 36173.38 37597.99 98130.57 25398.34 48696.69 22148.36 57902.45 11267.75 24564.36 39673.73 6822.73 15175.42 18240.96 17114.2 12860.42 34094.31 28830.58 20174.35 39734.66 55526.86 26312.57 41751.79 19951.52 45561.75 34210.47 62764.83 61310.93 51809.16 33014.87 33878.87 34407.43 34906.9 33907.45 35477.74 33846.55 33928.5 36867.8 Parecoxib 294.9 429.01 411.75 528.68 370.92 361.28 317.96 367 421.57 23.78 193.91 263.48 376.87 329.22 345.82 380.85 246.42 359.88 336.04 404.83 337.41 237.32 252.29 220.97 262.68 267.67 219.5 322.95 313.39 371.76 396.93 300.34 348.94 373.78 257.21 280.13 253.91 284.74 240.89 216.84 480.57 413.5 299.93 283.89 478.16 436.3 435.92 348.43 203.29 286.92 229.8 272.7 285.44 291.3 351.85 394.16 274.93 221.75 189.35 283.54 203.88 181.92 275.15 322.3 255.98 296.04 358.52 215.49 281.8 209.95 243 249.54 269.94 394.98 315.96 6917.03 6970.32 7142.59 7122.76 7061.36 7088.59 7313.57 7150 7113.82 N-(3-(Aminomethyl)benzyl)acetamidine 3727.36 6020.25 5824.86 6276.01 9204.54 10675.43 26542.87 4718.23 3454.99 9457.34 1959.13 5781.42 11599.52 5584.26 4596.19 4010.36 4153.93 5399.79 3956.82 1179.81 958.75 5698.47 5275.37 5034.83 4837.62 2055.98 18886.9 2866 5963.64 630.7 1600.55 4359.36 3694.46 7114.94 5631.37 2643.04 1780.14 3294.26 5325.96 5193.18 2149.96 4051.19 5632.72 11485.89 2074.95 6053.27 2499.28 3746.59 3736.04 2503.7 10527.75 6477.51 5933.92 8545.7 2838.19 7555.24 7960.84 7596.12 1856.06 6646.88 4792.53 6166 4069.58 6775.41 3307.77 8721.82 2036.88 6121.62 3716.77 2485.78 2409.95 8045.71 2117.15 6133.31 5928 4661.29 4409.87 4383.49 4927.59 4644.92 4050.14 4616.64 4631.76 4622.12 Leu-Val-Ser 2935.19 9829.51 1802.66 2756.05 2176.84 14106.17 3130.48 16479.38 18182.33 11663.14 1776.27 991.89 2818.58 3739.18 35801.43 3895.18 4019.72 5048.33 5831.27 12939.52 7189.49 1840.67 707.33 1250.16 1358.03 22722.96 3424.83 1570.31 1834.12 1431.55 16068.94 22694 13143.02 5585.03 8660.86 5473.31 7624.33 4663.14 2172.82 15784.83 1127.76 1531.98 18520.81 1309.34 8839.82 7121.58 7770.38 13295.46 2894.41 10590.15 1994.45 13352.79 7343.15 15515.17 7362.09 7085.12 4839.89 11195.42 9225.37 9980.66 2740.71 3611.52 17332.27 20437.21 17529.67 9625.88 7210.64 382.18 4468.87 11596.85 27267.08 3825.78 4519.68 24248.29 4015.12 8725.92 12793.9 9919.47 9697.72 10375.95 9734.85 10683.29 10334.46 10444.34 Confertifoline 3932.38 13157.44 22426.66 9711.85 4901.43 1027.55 1772.17 19868.45 19131.58 11902.66 11926.46 11248.3 7649.94 9677.35 14037.42 20066.56 15059.42 8002.35 22809.12 7230.53 22933.26 3486.59 28360.05 13084.12 16347.48 6519.77 13563.06 3645.13 18939.4 17146.91 3024.43 13550.67 20851.19 20446.26 7348.71 19541.19 15549.83 3301.88 11111.56 6924.07 1738.59 11445.06 16682.21 593.51 3569.45 9490.3 11012.63 20886.43 25349.55 10428.94 8723.68 17865.29 14446.35 9591.36 12960.96 13793.99 15415.19 9961.81 16138.82 3819.84 12433.08 7149.49 17371.06 23766.21 14188.77 13763.11 1267.3 10014.93 2918.48 19979.46 13636.5 12799.06 11726.68 13964.71 13099 69759.32 57632.32 64911.82 66066.45 66344.61 61754.59 62649.34 56290.99 63367.68 64338.8 88467.53 64953.52 69404.22 56557.53 77217.17 104364.29 61123.29 72522.1 76178.72 80171.21 63423.84 64771.07 72631.57 74669.71 70674.75 15005.15 15348.66 14997.31 15170.41 15052.67 14998.74 15172.91 14929.35 15089.9 VERBENONE 7749.81 15768.51 13489.05 6877.04 9591.71 23743.09 10231.06 8985.27 10123.03 8904.22 7321.77 6920.67 8347.16 6682.26 8894.6 8392.31 5705.34 7550.88 9468.85 19497.47 8690.02 7030.53 5642.1 6878.28 16996.42 9035.39 8146.99 8463.29 10292.31 4666.03 9894.14 10359.05 5710.6 8569.8 8792.67 12799.88 9852.71 10779.98 20063.23 6197.37 12637.21 17444.1 10728.45 7403.94 10281.68 7402.6 25309.54 7819.98 7641.61 32637.06 8479.18 9095.3 9677.01 8622.96 7243.47 7477.13 6132.23 5598.06 9104.28 7598.07 4775.85 6984.09 6824.2 9462.85 5139.66 11995.46 8143.13 8257.1 6726.1 10193.45 9588.66 11671.31 6411.7 7794.21 8102.69 11437.62 11542.72 10920.85 10504.26 13083.9 10601.19 10826.07 10455.78 10077.14 Ampiroxicam 9407.17 10484.74 7266.85 10700.1 9190 11883.68 14318.78 4591.04 3008.53 9366.61 7483.93 15124.92 16614.35 12061.46 8731.58 7151.77 7336.34 7544.89 18974.38 969.26 2418.99 11049.77 10934.47 17356.06 10742.71 5911.16 14728.97 9201.05 15771.93 1614.23 671.12 12431.86 10131.32 9850.84 10765.57 11079.93 5022.91 4778.04 12215.53 9213.97 1577.64 7894.01 13063.23 8111.94 6947.45 9739.82 6385.08 22041.36 11080.8 8812.15 4458.6 12048.55 11584.15 13277.75 6199.79 9510.84 4167.25 5283.91 4739.18 5640.33 17226.43 17292.82 5679.81 6719.25 7578.49 11875.77 1955.75 10995.14 8731.53 5229.18 5521.97 11644.52 5087.18 12124.64 10230.19 8916.34 8784.99 8918.4 8856.99 8916.94 8749.17 8742.31 8735.49 8688.36 Hydroxyecdysone 1487.03 1353.79 734.26 637.29 3124.61 530.13 454.92 1290.27 911.95 434.89 1083.71 825.05 2009.38 659.23 597.46 763.12 694.41 872.68 838.36 1431.98 904.21 373.29 567.42 423.4 1272.12 746.55 640.26 1383.11 686.89 1080.06 1729.69 828.59 1280.33 532.32 412.56 808.49 1574.64 1473.57 2177.61 585.96 977.42 2002.05 1076.27 503.71 959.43 867.99 1346.22 664.84 327.25 548.53 1169.57 1310.08 596.46 364.22 520.28 872.5 368.57 590.18 942.7 1024.41 380.75 429.48 702.32 472.9 601.78 830.56 605.75 541 879.94 1001.95 1400.93 774.48 593.58 757.43 803.96 1308.09 1291.21 1208.97 1218.45 1338.46 1431.8 1287.16 1311.71 1299.08 6-Phosphogluconic acid tri(cyclohexylammonium) salt, Grade V 18489.35 6235.59 6708.63 10985.3 11241.82 5834.38 67057.16 15787 31311.75 47386.16 50390.99 37605.65 16078.79 46924.79 103204.06 17547.01 9820.45 11922.26 21559.01 8864.86 41489.54 5827.27 17878.47 80528.18 13108.41 3814.01 46580.26 95145.49 20516.45 38546.54 11316.82 16157.73 14261.42 44510.7 51942.47 28270.5 30804.86 31467.14 36913.33 45736.59 49073.86 23697.47 71365.41 45425.53 28283.02 31599.52 42253.46 47436.58 37618.4 56804.8 38055.27 29015.73 95567.95 33743.48 44113.38 20401.79 75484.47 47956.5 31152.66 95889.71 59065.32 50708.84 50510.61 58038.76 85409.93 46076.3 48010.4 48004.43 59393.64 45546.18 38812.3 48320.6 45416.86 62922.2 37374.28 35440.19 29894.09 35509.52 36321.77 35616.2 38784.16 35384.75 36374.07 36405.91 Arg-Thr 30149.62 1832.22 10779.37 16651.37 23074.82 18830.45 8654.74 35664.45 26617.02 19235.6 18826.04 18096.72 12108.39 16389.09 32596.03 7698.93 6579.9 29381.7 18528.84 46736.51 36197.93 5932.44 6428.54 17956.72 11247.26 14851.87 18873.75 16905.12 24399.87 13503.37 30536.68 32376.99 4308.68 12062.68 15551.37 23111.59 28382.05 21708.9 18742.23 16432.18 26152.09 48987.32 11119.95 16402.7 19590.21 22611.91 22062.25 15452.7 10470.16 25958.45 3306.15 21132.85 14529.75 16252.81 14202.12 21999.14 6878.73 6307.03 5712.79 4858.33 3662.73 2873.76 20151.55 3291.67 20225.8 17639.02 41766.17 21046.35 21628.57 18482.08 39805.91 19417.23 10534.01 11005.17 6006 17315.34 15994.04 14125.93 17996.51 16907.22 15605.57 16970.55 16088.5 16675.93 Tyr-Cys 7082.39 2512.58 605.89 1645.1 6374.16 2555.54 1721.26 6794.61 6332.2 4253.4 1228.25 2974.5 999.51 3111.85 3995.53 1925.61 1743.64 3865.9 3841.49 7344.63 5954.54 2214.33 944.47 883.92 5623.18 4691.3 2940.32 4634.35 6111.4 4017.85 6356.38 5204.8 4080.34 973.35 865.03 5250.71 5745.75 2702.96 1705.55 2126.78 6654.89 7393.42 2275.65 1579.83 5347.16 3845.58 6534.15 3955.56 5286.61 5107.99 3082.14 2498.37 1146.65 1254.5 4450.08 2944.34 714.96 493.08 4764.29 2160.07 519.65 944.51 2854.82 1871.74 2628.83 2707.17 4208.85 3129.58 3625.38 5218.72 2976.35 3379.02 4156.6 1050.64 2317.59 4282.29 4209.67 4229.66 4277.18 4277.38 4279.13 4261.36 4133.42 4277.94 Serylarginine 8809.96 6822.86 9645.01 13875.22 12348.04 8313.68 1498.13 27324.53 22213.74 671.93 1122.55 4003.62 1995.65 4916.09 19676.29 6145.79 6144.42 17739.47 4478.41 24999.04 13475.59 3228.09 8150.27 4068.36 15078.07 16709.26 18450.07 8784.46 20158.51 5032.24 7819.44 9440.28 10186.01 5401.84 5949.38 5797.61 10667.68 2948.39 9108.33 9708.74 1331.25 6500.89 16490.23 2699.34 11013.96 8545.25 3012.65 2640.36 8721.38 5489.93 20649.24 9343.97 2648.49 15630.42 3187.17 13695.58 4513.17 4482.45 8854.43 8093.03 4370.56 4382.33 15862.37 6252.64 8956.99 18023.41 13885.09 2259.62 5681.3 13622.54 19437.21 5806.09 5678.06 12810.19 2823.95 7464.4 8479.39 10912.26 9273.32 9330.77 8528.15 8696.88 9335.53 9242.99 Hexetidine 1332.48 997.42 1239.25 1357.35 2734.45 2551.75 1653.29 1630.17 1326.22 1309.63 1197.72 241.72 1395.36 1372.3 1399.76 1711.87 1443.74 1208.14 1496.64 1517.09 745.76 1088.05 1074.53 1255.67 1432.41 1440.45 1190.21 1292.27 1165.7 3696.1 1199.36 476.5 358.19 1450.79 1183.69 648.4 881.07 1311.22 1027.88 1185.62 1310.52 777.86 1163.78 1063.06 1520.3 993.22 924.41 1012.34 1251.91 1188.82 869.17 1101.73 710.04 840.6 1266.36 1155.2 1062.73 946.92 1725.74 1537.55 1112.62 1246.3 1211.84 1285.44 642.87 1747.11 1219.95 1111.47 1182.03 1536.24 1195.69 1354.02 636.4 1223.76 1385.22 3245.2 2960.45 3736.17 2672.45 2988.07 2181.32 2848.75 2216.05 2445.19 2235.89 2739.2 2446.49 2918.98 3008.57 2823.42 2715.55 3360.08 3176.66 2589.77 3253.9 2737.5 3530.98 2820.58 3214.7 3083.47 2705.8 2795.27 2643.92 2642.65 2686.99 2642 2705.06 2646.81 2676.78 [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate 29777.36 22729.36 17080.51 22811.24 5465.51 4571.84 2951.91 5497.98 25071.06 10216.04 4450.5 7129.13 4286.71 21856.45 10504.25 12039.81 8547.22 13619.99 15386.91 1953.11 6846.98 7764.38 3432.81 20138.24 22794.48 8798.63 4534.14 24727.12 8797.9 18222.93 31277.47 34886.63 1862.88 16266.23 14648.99 19076.34 7126.52 18460.11 6758.12 8602.96 33268.21 32090.06 14113.31 21673.5 20004.67 21899.78 8234.78 15151.32 21187.86 27949.93 19496.85 27593.56 7816.23 27126.28 10396.87 12622.91 9157.81 18480.82 6677.42 2612.64 12382.98 2667.64 8932.03 6212.55 6549.35 7996.57 15971.85 18062.82 17836.24 2662.87 9824.84 13097.38 13762.4 13063.47 11993.35 13476.84 16864.92 13524.33 14949.16 13612.92 14006 13938.18 15003.12 15967 Fenspiride hydrochloride 20409.26 17926.47 27944.58 40123.75 22839.98 26876.27 35740.74 21339.75 16552.72 26820.06 24194.74 24404.45 24100.21 28166.09 15529.75 39552.42 20914.31 13205.23 39395.4 12989.69 11902.92 8997.54 19140.71 38655.45 20100.98 16909.01 42138.98 53001.31 23246.33 24373.87 18434.21 49339.5 7859.6 38953.77 32595.81 18987.85 20066.98 14167.74 34492.23 27494.28 21455.61 31195.71 36599.01 24301.45 21548.88 30110.02 19872.03 32582.81 26579.08 55138.88 20464.05 15703.75 30701.87 43855.55 12636.97 13299.12 14785.59 21448.69 12689.36 9984.88 21598.96 21954.48 13125.95 27328.28 25475.72 17885.4 21924.86 28688.6 29362.8 16256.6 11184.37 31928.22 28398.75 37824.33 35940.72 25273.6 25492.6 25057.25 25069.04 25264.97 25051.84 25236.65 25234.89 24670.16 Almonertinib 4938.51 7587.19 1542.67 5085.11 6940.93 2646.43 19639.11 5590.89 6281.3 8263.82 3895.42 1261.02 3771.4 3712.95 6065.02 5456.04 7006.94 8630.17 5912.35 11692.1 3496.94 9430.92 3307.78 935.87 5656.56 2122.66 5591.45 3102.32 3008.09 1903.08 1578.95 6432.71 1788.1 6137.9 5961.59 6275.18 2238.49 12250.18 5002.78 942.81 7475.48 4854.24 6515.66 3271.49 6619.3 11810.84 11104.51 5228.49 7092.85 11896.28 10374.49 14307.42 8774.87 7507.34 1937.34 8540.73 3527.36 4689.5 3317.7 8127.4 4139.9 5581.66 6650.73 9411.77 4902.15 1602.45 6242.59 4322.38 5100.58 3608.07 5932.89 8316.32 2223.01 8049.93 6217.88 7755.29 7952.01 8458.72 7066.51 8414.69 8363.11 7705.78 8442.49 8898.47 Feruloylcholine 49004.23 21319.34 8299.12 12791.93 64749.26 5016.44 36302.06 55682.67 68718.95 26724.4 35284.8 61599.35 50462.34 42251.86 49448.82 51645.05 29530.5 68285.39 51538.59 107581.82 55750.51 1357.95 15992.03 35804.65 53141.81 26334.87 38960.61 47834.47 99846.06 50031.41 91845.14 63039.3 29917.85 32724.52 33501.42 104595.78 58713.1 3732.08 37962.6 25344.9 121394.69 80097.54 32182 31212.93 86458.84 36642.81 84266.11 44831.97 45941.4 66447.3 50581.44 34123.15 32224.93 79030.01 42670.34 27674.02 15112.03 8600.73 42337.61 2433.49 22805.31 8563.48 37613.97 20737.54 16945.59 63141.49 79428.06 33602.74 39765.28 48284.89 40539.24 11918.74 33061.64 14451.07 53700.17 51439.52 50110.12 50567.31 55348.96 51751.19 50819.59 50134.02 51297.52 49664.69 DL-Arginine 16874.42 2452.62 3531.93 8767.4 89962.37 22463.96 16521.25 11251.94 14012.64 7187.71 5253.58 6495.65 7956.32 5311.4 4047.32 17396.69 8083.32 13164.11 14514.91 3405.99 13133.71 12190.15 3761.56 2576.19 10099.44 14493 11581.76 4837.44 16638.69 2965.01 9339.31 62746.28 7967.63 9344.29 5700.38 9153.03 6860.19 12418.71 2466.76 2135.8 4361.78 22261.79 2201.11 7646.61 14768.25 9787.21 4476.32 2351.28 21251.86 26906.67 18776.08 6222.27 5077.99 8685.23 10838.25 2441.86 4049.66 1182.35 16761.01 11314.26 6729.98 5562.2 13104.97 5851.05 1175.08 15200.21 1760.3 5391.69 5257.71 3312.66 5676.62 6771.96 4069.67 4492.42 6922.41 14139.77 13911.78 13536.35 15093.14 14135.43 13553.2 13210.7 14176.26 13487.37 Alanylarginine 141974.48 135877.2 15359.23 26872.79 148201.37 130080.61 131089.96 133864.09 132325.44 134852.75 106285.36 94525.37 96096.86 131737.39 129996.8 129100.13 136075.7 113267.71 124940.01 126513.72 109193.72 102808.71 95044.01 139835.88 29385.16 135554.45 141259.65 135656.6 146743.26 135103.32 98325.55 131524.62 101964.21 130179.16 127659.52 140206.92 143389.04 140408.23 141423.08 142417.96 133466.07 126151.27 135510.73 34415.42 120981.42 116243.42 128275.77 137653.75 134636.8 116446.27 125488.84 125319.85 125488.22 105327.12 131716.42 128112.31 100720.35 138915.64 59683.45 130879.25 141628.62 136850.8 136345.85 133153.81 109814.42 115723.56 126234.02 134771.89 133241.21 102315.94 132890.65 133815.05 136622.53 128396.57 135207.85 20138.03 13834.25 33816.44 32264.3 18270.9 18897.19 24201.08 19657.05 19182.56 20158.97 16163.8 20575.36 20210.52 20382.36 20214.2 14144.07 23318.07 23187.0 23491.82 19368.85 32937.02 19808.77 24250.52 26815.5 21504.36 108569.31 111239.9 105058.58 104651.61 102989.03 103041.57 48634.58 106137.93 103068.81 Ethisterone 984.4 1993.36 83.24 28546.61 52834.89 73809.11 91361.47 966.39 64.04 44.2 76.38 934.24 17885.37 209.01 330.06 3434.45 472.4 440.58 286.36 50.38 355.57 498.86 523.79 140.38 141.56 89.84 630.32 290.45 128.06 682.52 57.29 427.84 49.19 3383.62 131.83 1979.95 140.62 2425.01 1203.18 565.59 29975.9 2916.78 110.64 107.45 314.46 21955.86 2421.04 1964.07 70.86 798.65 2949.92 599.26 1358.4 2152.4 5108.15 2161.77 418.55 38.85 509.95 3151.18 131.53 2918.17 1159.59 141.58 1016.46 2404.14 199.71 148.42 67.65 1514.91 53.05 645.59 382.66 760.04 2417.42 10246.58 10233.4 10233.47 10233.71 10228.9 10107.99 10234.76 10234.58 10160.92 2,4-diacetamino-2,4,6-triphenoxy-D-mannopyranose 24874.98 28553.97 14741.03 15593.61 41546.11 44497.64 24192.29 33057.63 39399.33 23331.19 20003.97 32753 18137.51 17454.56 30153.55 23372.45 15566.81 30192.85 22126.98 52721.33 30349.97 16036.04 14410.5 20374.31 33200.05 37040.86 16889.51 20409.37 52823.14 12394.95 39790.47 28820.72 15492.78 20660.41 20644.39 37526.78 30604.03 27267.05 15849.62 16738.63 47867.03 44014.18 22774.7 14818.64 41530.6 16877.04 43806.39 24546.73 16999.54 34122.68 26990 32338.57 19079.38 23415.98 13009.2 25234.46 10378.16 11425.17 24641.03 19749.23 14326.62 14529.2 19924.18 16794.36 13648.69 31937.16 41379.72 17689.68 17001.38 27812.36 30887.63 21303.66 31754.79 18718.2 23250.15 26854.45 26288.95 26532.39 26526.16 26752.93 27361.7 26821.14 25211.82 26601.96 mycosporine-glutaminol 724.67 5488.77 5098.17 9229.11 11764.16 4855 14691.6 4106.84 14820.3 5606.04 2832.4 7972.47 7589.73 851.92 9679.16 7855.86 7336.07 7831.97 4483.88 4409.63 6815.27 4854.62 1628.93 4153.9 7809.38 6009.25 3482.95 1542.32 8193.06 5035.3 5262.37 3836.88 11788.77 4607.39 2118.79 1290.7 7805 1915.41 2960.98 6377.52 7855.44 1441.91 23600.97 3875.86 1542.91 1079.3 5368.17 1370.51 1243.29 1521.42 3661.98 965.81 1020.9 20601.95 4497.06 3546.39 2336.57 2270.52 3234.04 11258.02 4484.73 1950.51 13603.54 4002.99 3481.78 4699.98 3907.69 6557.84 6403.78 46816 14229.64 1804.08 7445.81 3555.91 9357.51 8238.99 7259.56 7788.51 7706.13 7805.12 7469.04 7830.42 7464.76 7799.2 Vitexin 24431.24 20119.92 13106.56 12475.7 16087.2 18475.48 14222.72 22139.68 17292.64 20105.61 14852.25 16951.28 10605.87 16152.67 4442.34 24610.92 12086.09 22928.3 16631.92 5512.56 18337.73 10661.62 12266 19055.65 17123.58 18751.56 20806.46 22784.56 18557.49 31214.3 21802.72 16133.3 18277.03 14290.72 15203.31 16759.27 25251.3 20146.87 20160.75 19505.12 19064.35 18047.69 18782.27 17732.06 13576.42 16203.54 14223.27 16711.44 20724.34 17292.16 16864.54 11775.27 14753.79 17903.01 26044.06 16475.89 8240.19 9675.01 26852.14 15537.44 15279.56 11500.28 17069.36 17331.78 20994.49 16083.02 13037.97 21564.97 18384.58 24327.57 22900.06 20560.83 27507.79 17963.55 17636.24 16353.7 16313.11 17789.77 16343.78 16361.15 16848.7 17335.96 17214.44 15739.11 Masitinib 3202.26 2112.69 1976.48 837.51 4845.81 34518.04 13699.92 2245.08 12017.32 1581.16 715.63 3061.27 2098.75 1744.46 1761.93 3494.43 1402.17 1373.47 2578.64 6118.7 1774.39 2523.4 736.12 801.15 5186.4 8895.62 2756.18 2595.69 4610.72 2342.94 1881 4751.46 7285.47 2319.62 2213.94 2743.42 4279.45 14204.68 3520.42 1727.02 2274.12 4557.2 2497.22 2163.48 3065.72 5658.35 2303.38 4887.72 6490.66 3802.27 5452.84 9361.2 9128.39 5810.37 1073.01 3382.76 389.04 1317.27 8294 6710.38 1356.88 1063.84 2193.16 3101.33 2036.85 3481.07 2986.13 2670.74 1270.72 8071.14 3173.45 6797.98 2767.66 1984.04 946.34 4367.27 3894.84 5196.14 2866.74 3945.04 3890.87 3670.05 4322.1 4414.06 LPE(17:1/0:0) 5616.07 1172.84 518.75 1846.01 5578.58 1535.94 1945.47 4554.1 5338.63 4063.92 4215.52 2569.99 3012.47 5823.94 2865.9 3725.05 1984.35 6353.13 2111.91 2019.84 2265.63 1006.06 1376.47 995.26 4262.02 900.52 2998.87 7018.72 10639.78 2800.2 7291.28 9977.31 2845.38 818.14 1399.79 5198.35 2379.89 2626.02 594.96 2021.82 10760.69 8629.67 1280.51 5113.2 6564.94 5515.88 3176.63 4452.4 1493.84 8435.44 1944.67 4163.33 1922.1 1285.88 1043.23 962.19 938.64 779.62 2851.75 2434.67 844.62 849.4 1068.22 2195.87 650.76 2485.38 5302.93 3242.04 3944.57 5860.9 1467.58 1227.08 4202.37 2443.98 393.71 3627.51 3622.63 3422.18 3622.3 3621.12 3427.85 3649.96 3641.83 3615.92 9-Hydroxyfluorene 23427.38 12781.07 12410.82 14743.19 83081.15 30091.01 24311.86 30190.02 28973.55 23670.12 14511.61 29361.08 30592.68 18832.25 22617.79 34899.71 14700.98 31058.04 31209.89 24312.99 35911.12 18322.66 13569.87 14399.97 29840.94 24383.18 19748.27 13310.8 27566.82 28629.14 22073.12 62718.95 18226.74 20311.93 17025.36 23700.01 23381.6 16451.95 12065.6 11248.72 24838.88 42122.3 16266.1 12316.13 37141.16 26899 20355.86 16464.14 43067.2 37898.15 37962.95 19943.66 18877.17 23616.72 32535.08 16689.74 11621.56 9528.19 32330.35 22390.36 13950.98 15167.98 23103.85 17237.42 11043.61 34015.38 21644.41 16112.5 13595.2 22258.98 17322.98 19394.41 16547.45 16236 17616.28 25391.54 25318.63 25386.51 25350.67 25384.07 25250 25386.05 25277.44 25386.31 Carnitine C22:2 2599.01 2364.18 2628.11 1636.39 4106.76 3682.76 1999.52 5297.33 3787.21 3775.63 2617.86 1924.3 651.27 2672.65 2462.65 2538.09 2007.06 2340.59 754.48 601.1 598.82 1820.9 1751.97 1639.19 3759.85 2657.55 2770.86 2902.12 4652.64 2776.11 3200.41 6768.89 520.49 3480.1 1320.16 2112.5 2670.88 1420.84 1845.8 1679.17 2216.78 1590.84 1783.37 2164.89 2277.71 2384.18 3334.28 1061.56 2794.96 2841.57 1835.9 1759.98 2121.47 2225.6 1125.81 527.19 2393.97 1662.58 2367.39 1058.6 2185.93 834.28 1592.97 3802.14 2316.11 2187.52 2136.09 2529.79 2418.86 7341.71 2195.1 3400.3 3893.08 3406.05 2879.01 2375.23 2130.08 2501.1 2499.47 2417.78 2494.96 2724.32 2414.42 2344.83 Pro-Ile 26960.62 70762.75 52214.5 34369.3 179639.43 86154.61 38502.34 187248.1 159173.9 111348.17 98550.69 39812.3 9007.45 19506.65 208167.27 69564.76 21441.69 163639.41 195577.81 115042.57 38260.11 89835.14 2900.44 36184.49 166665.77 164502.37 129737.13 71701.14 121025.98 5195.88 32705.32 131176.83 94581.69 38270.55 176708.04 152962.01 122026.49 110478.1 8095.15 323927.08 5266.58 43941.35 146519.72 18207.73 94227.77 20550.74 89279.83 23339.27 21367.9 81225.67 50679.83 49817.24 214333.77 357914.39 97873.06 88780.8 38162.24 240774.24 109755.55 109003.9 25511.83 11178.33 132668.9 315776.34 141011.76 106505.47 41522.85 16403.49 19834.23 161426.38 146563.36 55611.82 152701.94 185763.03 5151.98 99418.76 99420.83 99614.8 99134.09 99129.82 99057.49 99052.23 99054.12 99052.37 Phe-Val-Asp 1201.13 4571.63 735.21 4237.11 4280.34 4586.49 580.73 6111.43 4296.17 9174.77 1752.08 17724.58 2147 14719.26 2687.32 3945.87 2378.18 3763.75 2228.89 5041.91 6281.27 5668.39 5534.25 670.01 13060.05 5662.88 4582 794.08 6238.48 8760.84 1667.59 2406.42 9344.58 12102.38 9200.56 5752.63 5840.56 4199.85 14595.88 3641.86 8501.31 16236.73 5731.21 5516.11 13911.19 23992.67 8895.33 12486.29 18199.47 16892.44 30813.38 5553.24 10390.41 7497.21 5247.84 5542.71 2545.65 2193.11 5993.48 676.91 10912.69 14041.9 6351.16 2611.74 3616.18 7444.52 11200.63 9555.25 5512.31 7442.97 6335.75 11223.17 15455.79 6037.51 8557.3 11980.54 11556.43 12096.15 11994.51 11900.84 10364.04 11452.1 11714.06 11571.64 MG(0:0/22:6/0:0) 4048.11 12546.21 9371.97 4137.63 193043.23 23497.04 35416.34 5601.41 8025.28 10165.33 5390.87 6790.06 3283.47 19911.17 7807.18 4786.96 11666.51 5987.19 1633.93 6698.43 8261.95 15212.49 5211.55 10986.29 6200.54 10677.64 1458.67 9787.89 1935.74 10714.76 8157.72 4743.79 12293.76 8698.77 13676.24 11391.96 15108.67 10919.51 13583.32 10894.03 26314.7 5682.39 9825.92 14439.98 6767.24 8493.08 10431.45 8604.43 1218.45 5874.62 9007.02 8584.23 6803.82 8820.47 6062.37 8011.89 10752.51 10475.17 6151.75 17951.1 9210.77 13291.58 8769.38 8782.71 7263.78 8068.17 6030.78 6894.05 11098.71 9093.55 13728.17 14134.36 4061.09 7047.9 13185.64 11750.85 11732.34 11011.08 10852.1 10496.27 11367.11 11022.11 11608.68 11481.91 D-Kynurenine 27623.62 26637.98 19223.22 21177.1 31175.26 29227.84 25827.63 29340.99 26075.22 34505.8 17058.82 27606.9 27110.74 23979.81 35123.82 25733.57 22615.11 12719.61 32175.1 24537.4 19014.62 20122.96 21064.24 25015 33379.62 22670.64 25376.96 25257.29 40078.61 10034.73 24357.3 32258.67 28164.08 19301.73 22491.17 32882.47 14576.74 22037.91 20218.49 27116.84 21348.76 36615.79 23447.86 19659.77 20588.77 16513.38 26767.98 32137.05 27984.24 32947.25 23744.64 25336.98 24740.61 24060.01 27478.22 28423.87 22716.89 23413.01 34411.83 22351.06 22255.16 27150.86 17161.92 20623.01 21080.41 38940.39 16854.62 29084.87 25733.5 18453.71 20889.83 25246.66 22735.69 26466.49 20055.04 21926.45 24274.61 24790.14 24653.03 23878.33 24404.3 24703.01 24394.01 25528.36 Zanubrutinib 36652.55 42152.79 20510.71 1029.87 52501.77 148725.93 23400.8 71827.46 2032.98 51133.23 837.34 71900.67 15215.42 2443.32 72151.35 2099.73 19423.56 212973.22 222551.15 282143.3 80646.32 64377.99 28198.07 28994.61 68859.77 82593.47 1018.22 2131.09 112420.46 83394.38 92907.63 173004.86 54744.34 35725.64 19310.5 77142.41 82051.31 43697.82 16719.2 13011.21 99328.68 85347.48 20618.83 8363.68 119901.27 25231.16 74107.2 55931.27 21696.01 99877.87 75579.56 36421.98 14840.65 9519.54 19341.04 54751.72 6667.32 21146.48 89260.08 30945.77 16208.4 7421 32867.84 30529.95 26966.87 64146.8 64534.81 29068.8 28889.98 66441.68 21342.13 50409.54 31002.59 27160.02 16816.11 55589.29 55603.95 55192.98 55108.94 55605.9 55063.8 46663.42 54117.37 54496.95 Carbazole 60542.72 63619 71971.63 66223.63 60605.91 51724.04 112165.22 123402.65 58410.57 69083.4 135462.74 68975.45 59222.47 84253.5 59199.69 62262.44 68667.38 61147.52 61690.07 51595.58 89454.83 56408.66 66761.45 71983.99 59662.46 68231.36 72128.53 79450.47 54696.23 66941.31 55943.15 55729.9 54742.61 66462.61 77922.07 59710.59 68943.62 74860.03 76995.4 76206.41 60956.28 59848.87 71572.67 69182.31 55822.92 76278.3 54210.71 63863.04 63237.91 56157.34 58859.14 62818.77 71050.05 65756.24 92834.44 60763.02 73422.28 77731.14 58732.43 64595.58 73315.95 71828.19 61962.04 69665.15 70995.63 63064.86 55431.86 67561.87 70809.79 59131.59 58533.82 64879.35 66762.22 62547.47 64573.65 59926.77 60793.69 61379.32 60954.16 60950.41 60654.92 60654.23 60648.57 60927.1 levalbuterol tartrate 5885.57 8085.3 28216.06 32064.69 2920.4 9460.08 1594.71 20728.62 1511.44 20475.69 39859.89 34349.06 27511.66 26100.56 7370.61 66716.1 71153.06 3015.74 7849.72 9176.32 6463.97 1725.45 30456.85 48634.56 5258.14 6790.2 34717.32 44750.28 27682.29 31315.03 20142.24 63807.15 10141.99 27116.94 38923.9 8001.88 14670.78 15453.21 18945.22 29897.68 20663.19 4853.75 33281.77 22593.92 13544.2 39145.37 15536.63 30202.71 14496.42 47633.24 6340.58 9865.92 54905.7 46822.62 13300.55 9825.16 35480.93 25365.3 17996.56 13512.53 31438.53 29141.33 7392.82 43773.02 24477.03 17748.06 33763.62 25805.5 27494.14 12892.89 18141.34 34376.88 37579.76 47244.05 52557.46 29652.18 35127.12 34991.44 36140.3 35207.31 36497.03 35269.9 35242.04 39629.2 Hexadecylamine 6110.06 7836.65 6857.03 56854.26 6368.94 8805.42 42380.11 6582.03 6309.58 6386.24 7300.6 18091.71 94322.89 8602.25 14719.5 38459.55 9484.57 11135.37 13756.65 15738.2 6217.33 7493.15 8331.86 8448.76 7493.98 6722.28 12868.62 15515.79 18347.15 17853.13 9898.84 15489.77 4673.28 44967.55 9358.89 13501.86 4585.64 4363.86 8321.67 14091.31 17538.75 18382.06 10476.79 7690.27 13682.3 255603.61 16745.92 14286.87 8251.1 16551.33 17168.04 6822.48 10722.86 17560.59 6211.06 6432.39 6140.31 5925.72 4492.87 7552.87 8491.62 7256.44 4899.15 14790.23 6208.47 13929.72 6678.87 10860.3 11296.43 5950.14 5776.06 11325.4 2254.63 12538.23 19704.79 17737.19 17958.56 17836.83 17959 17950.64 17727.44 17917.24 17727.27 17623.02 4-Chloro-L-phenylalanine 67247.4 67883.84 56667.56 68243.11 65363.92 38234.96 63612.83 64720.43 60757.04 65091.88 51637.49 36765.02 47705.72 65536.13 62907.3 60785.22 63894.65 55912.27 59841.29 63316.54 58174.1 38891.95 46044.97 68034.59 63557.45 64800.59 69833.28 64337.01 63330.72 71443.16 53054.87 65377.84 52155.54 64574.26 63066.66 63110.46 66064.37 52228.17 66369.86 67425.55 63839.62 61607.5 66803.98 70405.7 60267.19 56756.42 62961.6 65763.82 62953.46 62795.9 61531.94 63553.99 59989.02 60457.53 62520.05 62938.76 64452.88 66638.09 64745.96 59651.05 64287.69 62360.13 62984.45 66917.19 52563.29 59425.77 61292.58 64740.81 65721.35 62289.21 62979 62787.56 63243.5 61354.55 65890.7 15665.84 9813.61 15880.27 16394.07 20475.65 13420.44 13866.15 20988.68 13878.14 13736.33 11573.7 12916.59 13863.81 13579.11 12163.85 10483.64 21992.41 13473.54 20956.1 12993.93 15110.33 13650.99 14228.56 15554.08 13053.81 61811.44 61404.7 61276.93 61697.67 61409.81 61808.07 61039.7 61404.76 61661.76 Gly-Val-Arg 68594.25 67841.23 61212.43 84354.13 83120.83 75896.34 105267.88 141137.16 73616.02 64001.18 111099.85 67132.46 77931.47 71556.74 72479.66 75664.97 61430.66 66931.85 77040.1 83286.81 100932.27 2744.84 59659.59 65383.9 67483.86 64003.29 68582.06 65509.7 66239.24 61777.19 67441.38 72899.17 60275.26 66624.91 58838.84 70881.16 65445.81 64751.74 77306.09 60520.92 81282.57 84675.12 61789.14 81896.07 74701.61 86099.4 59266.67 74915.86 60812.7 38414.38 74918.65 86124.72 67282.99 87372.13 107116.52 79624.42 58998.51 60601.23 58453.92 79964.29 64307.43 61469.22 90593.77 68010.34 79503.07 90362.57 77992.87 62337.9 62684.87 67770.32 52502.87 63812.37 59211.89 72239.65 62750.32 41795.3 69809.58 37972.27 40276.22 35562.63 40057.83 39985.71 38576.88 36319.79 38828.37 37614.4 36429.02 39432.68 38867.16 40984.9 40989.01 39987.7 39761.37 39312.64 38612.19 37460.72 39984.07 43075.8 41199.63 38226.98 47730.4 41727.95 50296.67 33074.47 49910.18 50021.8 48223.86 49930.1 48471.18 Tanikolide 70718.21 68490.55 11950.93 19439.99 37664.66 44506.4 18344.81 52573.05 30792.92 34985.61 23453.38 42066.43 63115.09 72147.83 35984.65 35488.55 39610.13 61370.39 46997.16 42123.21 35180.03 32988.3 14181.61 55121.34 75120.95 58788.76 58916.16 51335.78 38874.16 35917.97 42276.76 43161.67 2942.28 13518.97 47610.48 79280.6 74727.58 28569.51 16848.31 11983.19 57878.67 47619.67 18220.1 56949.39 47070.76 11067.49 46046.63 46974.26 17644.33 43842.94 27731.55 29510.95 15274.06 65514 71236.43 29846.46 21203.72 11777.09 31897.02 19168.14 56977.87 17079.28 39500.1 22187.2 13971.11 58224.91 53681.99 121156.55 157973.86 65906.36 30730.65 33545.88 8316.17 17954.68 20745.49 32933.92 32829.99 32894.9 31010.18 32823 31626.06 31836.86 31817.33 32313.95 His-Ile-Lys-Arg 15219.77 19786.06 15601.59 18357.79 19283.97 21173.3 13593.31 10144.95 15095.81 14937.25 12904.85 20792.19 25867.46 21291.36 18281.8 20002.84 21011.67 22623.15 19811.5 24578.45 24306.33 19708.27 20482.65 7787.89 13113.82 21059.63 13849.04 17042.84 19304.79 20103.9 20978.52 23130.51 25551.93 19682.96 9104.16 23084.06 17730.55 22869.69 21291.81 17727.64 20615.27 19959.71 16900.49 14416.79 16805.07 3507.13 9578.2 18317.35 11863.04 22867.31 16620 20319.16 15626.5 16862.57 12970.13 21219.32 19118.95 13276.17 11597.63 13828.2 13912.22 6177.86 15234.17 5979.14 5857.9 14769.43 20655.29 15523.87 14589.52 13638.34 15635.93 14061.94 10556.09 18476.44 19516.84 17732.88 17530.14 18039.21 17445.34 18311.64 12830.67 18005.86 17433.77 17451.57 Arg-Gln-Lys 26524.92 3450.6 9593.23 14891.52 25541.4 6609.6 8069.43 28419.8 34145.98 17857.5 24581.4 21440.07 23385.71 20708.49 36709.85 29128.52 37207.94 17363.79 50253.36 9848.73 20714.4 5137.53 13776.35 26241.14 38138.04 28365.91 2185.31 1966.47 41558.16 17180.08 29449.48 27273 21787.99 19972.75 29553.07 43037.57 36647.59 9300.92 14110.52 17159.91 19960.38 41307.19 31020.77 15896.04 27833.91 18110.98 28495.12 26069.3 46721.92 31908 41002.06 34134.38 55515.13 42907.13 59172.67 16811.93 106686.72 9135.97 45739.12 29543.79 56456.87 117469.71 32555.96 39846.08 23308.37 26367.09 11848.98 11756.77 13945.57 50386.86 24854.66 27388.01 27789.07 23626.32 12948.12 23753.37 23913.71 24858.94 21429.25 23268.88 22713.91 23912.48 23773.03 22700.5 [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 50418.14 44598.25 1245279.88 90378.02 53001.38 186394.82 94553.47 55657.53 62614.56 60916.29 76765.75 74116.71 100463.75 90657.05 51164.26 75731.95 181624.44 40485.64 52771.78 64575.87 87567.83 62051.83 89538.52 65826.83 63829.17 84341.83 55492.3 73048.3 55521.5 61385.47 69922.72 303656.56 83246.47 100275.41 85211.85 50262.74 63262.11 175526.97 61996.32 61076.59 232838.38 97856.5 95755.39 65321.74 93348.18 80660.75 53829.16 37796.92 10556.42 142174.38 73548.47 62344.69 138194.06 192340.16 264633.6 105925.92 875943.88 263911.64 53557.53 88000.43 393584.98 77740.29 88192.77 185292.9 51326.46 69895.43 75103.81 94548.36 62643.44 56997.21 29136.79 60003.92 93830.52 380888.44 90721.3 388031.78 261630.89 453549.09 355132.16 302628.31 282030.19 182088.13 420009.7 375982.86 117806.63 76796.68 221003.45 225374.68 347950.88 115155.32 185064.7 162616.29 580927.72 309145.42 147800.27 265694.11 140398.49 223815.35 318810.77 715749.6 131871.77 131869.54 131177.66 131447.43 128634.97 131652.86 131772.83 131870.55 131184.34 Lys-Glu-Asp 28298.49 28182.73 27324.73 22654.22 34311.78 31396 54023.56 8589.26 55077.44 36936.13 34411.77 40839.73 1582.64 31159.06 2695.6 58522.82 30182.04 26919.2 50605.98 41447.22 42439.34 18600.37 35525.98 40263.75 41092.59 37478.49 40217.53 47895.23 40065.7 37459.8 27109.67 69358.74 1543.78 50130.48 36197.18 30030.8 26284.79 26460.43 42603.38 35988.47 51980.64 21805.29 48543.06 22986.26 21664.05 37208.71 28345.23 40336.24 37526.26 62216.82 31060.13 31662.13 41288.04 51787.98 25180.32 26201.79 24626.09 16285.1 22653.09 2290.63 24717.33 32651.45 19458.7 39686.61 25969.76 43523.48 37510.39 41643.22 35648.45 47183.62 21656.89 44719.78 36229.58 42379.18 48661.54 40109.74 39002.42 40049.9 40948.11 39719.47 39012.41 39227.41 32832.4 39794.87 Lys-Arg-Gln 31417.73 806.87 52404.99 34359.95 6232.28 1017.32 8560.91 58101.55 38069.68 19445.57 31803.72 6656.92 20256 1904.63 37251.29 41806.19 1085.91 36170.74 99670.41 59338.86 49477.75 2048.59 34418.29 34515.94 46385.76 35207.47 22538.24 1817.28 74894.02 34215.69 1260.83 3454.98 44113.62 69954.48 39688.89 52940.2 35873.95 7622.09 27247.71 16731.39 10111.28 45110.33 53577.68 10975.09 22256.97 27667.8 48208.76 59257.88 71728.46 62432.3 23079.32 45252.23 86681.99 57744.76 50383.84 13722.47 21031.88 25292.02 47812.73 5230.09 29724.06 12994.28 67612.93 73956.05 40604.04 30543.66 8606.12 13681.66 16328.43 51964.08 15648.2 35080.89 42248.12 39561 37034.18 37948.92 37446.89 37144.29 39557.23 37958.28 37466.77 38031.76 37439.93 36823.97 DMABA-d10 NHS ester 49918.53 114361.49 67332.56 56199.5 216628.27 56392.26 4352.49 4858.91 3374.86 15133.75 32669.41 11465.55 31361.11 209644.46 103781.92 82913.91 101659.36 72174.09 52170.8 31251.33 81172.25 39420.07 45668.88 55650.11 37878.14 142486.47 42476.01 54351.08 43042.48 150893.98 167660.41 28368.74 59932.05 29498.43 16901.39 35742.26 345235.15 41111.96 132941.2 17472.72 43199.45 7114.52 2265.25 14099.65 147269.11 4582.82 10184.77 87651.18 2128.36 4124.83 20381.41 111645.19 5593.7 16019.5 26920.41 151478.26 37725.15 9103.18 32527.94 86941.09 26127.25 37324.22 8724.94 8624.85 31101.69 8344.27 19742.15 87664.99 14347.92 36125.96 139362.55 14163.49 8977.3 34578.87 4468.04 14329.51 22341.71 14729.29 15530.37 15369.47 15215.61 15054.19 14955.32 15435.99 15369.55 16977.56 15229.01 14080.83 17534.99 15044.79 15489.88 15014.65 18391.38 14197.73 18649.0 14630.08 14822.29 14870.32 18567.89 13993.78 11052.47 6758.39 14848.81 15175.96 20060.99 15561.91 16764.07 10187.07 18103.52 His-Phe-Met 22128 49087.29 144696.39 98640.57 69035.9 54796.84 37748.96 33636.31 31564.65 30978.17 26660.14 34050.29 80597.54 29700.52 59468.93 44418.99 41128.21 42486.67 32842.3 25946.5 27127.51 11429.05 20680.2 38173.34 34945.77 24179.74 24203.71 19683.21 26904.42 13916.51 36081.63 21200.61 1089.04 46638.51 63390.93 20486.04 38740.59 18536.66 23600.29 46342.59 20360.55 30790.5 50611.24 41389.37 36283.22 31936.61 10326.37 11117.34 20284.38 37720.97 19069.95 30036.25 33305.83 94414.81 37844.73 64270.24 88545.85 117886.75 30590.69 21629.44 51972.83 22930.48 75567.86 99646.08 48849.6 47249.43 26437.04 35282.12 36657.13 36433.06 32444.95 16423.95 22982.16 158819.89 71646.81 47269.19 46915.25 47372.7 46646.41 46918.32 46958.09 47258.44 47257.25 46924.12 Gly-Lys-Thr-Ser-Glu 722.84 6282.16 1766.6 1044.12 4285.98 3343.39 8225.08 8865.82 8413.79 8206.91 4072.97 1988.15 1216.44 1032.38 914.19 1258.53 2726.66 1858.27 3653.2 14695.45 1341.66 2486.85 572.52 1692.07 2231.7 655.29 267.08 2278.01 2882.65 736.71 3655.42 2192.85 674.03 2245.39 5474.18 2484.89 4436.8 8675.27 9475.28 5400.42 11639.56 9086.36 6244.87 1176.14 9700.17 4629.2 7741.05 2671.55 818.5 1571.83 4836.61 3164 3188.75 2788.65 6149.27 7127.64 1906.39 1499.01 2579.94 1600.83 1784.28 5649.28 6705.35 2000.35 646.8 11247.43 1086.18 2697.9 5047.91 4175.38 2107.47 4723.75 2487.42 6243.99 1651.36 6704.54 6429.29 6535.03 6423.5 6773.29 6251.7 6773.59 6248.75 6628.17 Tris(2-chloroethyl) phosphate 102078.66 76361.05 80674.52 90193.39 41402.77 43556.6 57006.14 100092.43 62883.59 62817.23 96199.29 54129.28 43973.82 69630.4 55887.25 54460.87 55359.03 59532.45 54668.62 49332.44 68570.96 46979.12 52630.84 89994.09 78786.91 65194.13 71572.23 90200.66 74022.46 70779.15 63634.77 61478.52 41562.12 67247.12 69000.69 67133.86 78597.23 62715.93 74283.43 72261.87 55330.55 59134.34 72985.01 68061.12 58638.94 61974.25 59037.77 61346.88 87034.78 58168.69 59454.36 69247.71 68571.45 67695.08 83496.41 66123.41 100005.68 77065.87 60552.75 68885.38 70081.42 70585.39 65682.79 72057.77 75815.34 68234.73 62108.11 75208.53 73955.06 62584.3 67824.9 68755.95 72666.87 69594.15 70202.83 63446.35 117515.7 59120.9 60158.08 62096.68 70719.53 59405.46 60079.13 68340.87 57756.19 62233.39 58095.71 59524.03 59766.34 61385.88 69452.49 61028.58 57724.21 58356.62 61483.4 57237.63 59681.18 59659.28 57995.82 59203.56 63453.39 63441.12 64331.47 63445.62 63318.13 63923.28 67829.32 62928.18 64857.67 Glu-Phe-Leu-Val-Met 118800.63 85349 18738.11 22532 389262.17 149748.61 39025.99 150142.4 100441.34 97947.32 46564.52 148095.88 21774.5 45868.5 171092.08 138359.95 56714.42 248033.76 206685.5 131667.77 163622.57 89602.77 27671.24 43682.84 215059.83 185152.58 51457.16 49071.86 210438.59 86720.16 124127.73 614260.01 117735.47 51622.16 65729.23 137720.51 196178.41 84233.33 24005.51 40734.72 94959.97 322490 67087.94 19219.49 315836.73 46838.87 106736.71 97242.31 56679.33 263694.12 115725.41 120663.51 57362.75 66444.22 162061 103551.91 16049.68 26201.12 318816.47 3741.63 32843.83 30328.83 125346.85 88864.68 46135.5 261701.85 92680.78 49604.21 56697.71 160135.45 57360.06 106846.54 86273.72 51907.76 39040.5 126260.46 125291.04 124503.63 124525.52 125293.33 124521.63 125305.11 124503.82 124511.08 Glu-Pro-Arg 19226.27 16919.28 18303.95 16268.02 19300.21 10501.41 22438.51 35884.45 15070.02 18679.71 23812.41 13571.56 2011.24 17101.77 21877.09 25255.94 17715.94 17980.54 15544.38 20654.43 24493.91 11135.08 14800.19 21429.54 18633.65 15256.47 16097.91 18304.39 11945.65 18598.62 20595.19 14161.17 9481.46 17037.08 16432.76 19352.86 16813.4 19092.89 18785.69 18340.73 20260.52 24627.91 15873.08 17115.74 14211.82 17928.11 19074.81 18255.61 7304.05 16866.21 17771.7 18209.09 14968.61 16446.17 25401.73 20139.79 17765 17602.2 14434.35 20764.65 19908.11 21813.03 20296.68 16992.86 21962.77 15675.56 18354.88 19251.16 18474.04 20047.7 21243.99 16764.47 10736.22 7694.67 16114.33 15346.84 25809.68 18279.01 15307.3 15784.54 15595.28 16205.46 16156.88 15470.77 15085.21 16632.68 18169.17 14924.1 15835.22 16697.12 12491.0 14944.75 15215.74 14683.02 15751.39 15013.09 15103.36 16112.56 15640.42 17044.67 20937.95 22357.25 21995.76 23785.23 21252.92 19793.94 20006.48 21867.01 21361.04 Pro-Asn-Val 14562.99 10950.44 1213 3303.6 11722.34 15482.73 954 67863.82 14936.78 37143.85 8132.73 12476.03 10384.79 47273.38 98312.3 16484.22 3615.22 219488.31 168126.19 31829.72 28648.13 48052.27 24882.5 17085.28 42924.42 18345.52 21626.75 9587.48 64461.58 13621.95 21933.96 118990.15 84277.44 16208.16 5109.45 122155.48 92549.92 15492.01 10320.54 4268.73 9334.22 47925.77 54129.87 19349.72 59873.04 10864.29 56901.75 63771.76 44513.96 45198.18 27047.36 74500.96 16383.48 4501.99 27090.28 83560.98 533.45 17271.97 107099.76 3496.13 11697.05 5339.11 38209.39 45068.9 46801.92 17009.18 20989.69 7570.91 7750.84 86581.73 13693.81 35198.12 55165.04 8806.93 3630.81 9158.96 10337.54 10695.62 7435.2 8642.47 8098.43 7027.52 7329.6 8198.73 8460.19 8715.74 8256.08 7447.85 5521.48 7828.35 5286.92 6905.27 7050.68 7052.68 6609.61 8376.05 7895.34 7484.13 7321.19 7281.16 39369.5 39382.31 39806.9 39847.63 39040.17 39382.95 38829.09 38963.57 38962.88 Arg-Ile-Val 9473.84 6317.27 7931.96 15273.42 6195.44 7437.92 19014.76 14240.4 8210.83 11257.49 15963.23 10003.28 10975.6 9812.38 15882.88 29025.69 6504.88 15333.92 18203.63 12546.1 13856.86 9143.17 15059.09 10722.41 3017.29 5132.46 10378.97 8422.54 2712.96 10759.55 6655.79 8127.35 10851.36 6779.43 15517.48 7862.12 6141.13 3226.78 9057.51 6934.54 14667.66 8939.29 6896.95 9288.57 7968.31 56479.68 10766.58 8212.49 3676.64 6640.04 8718.19 7740.3 10958.31 11622.68 15596.09 4772.47 7528.41 10121.02 4046.5 8759.01 10471.03 7868.48 6400.41 13693.36 11659.18 16032.41 10683.48 9290.36 7809.85 8259.38 11027.22 8725.96 13043.25 12808.02 12957.03 6652.39 8515.97 6188.03 7712.76 6706.98 7039.47 5622.08 7240.41 6101.18 5209.64 5118.53 6267.4 6356.22 6844.05 6143.48 4972.25 7165.38 6161.65 8027.86 6347.69 8169.49 7003.89 7054.58 6273.21 6363.21 9731.61 9778.74 9893.69 10258.79 10243.8 9096.57 11303.32 9829.97 10279.28 Arg-Thr-Ile 43564.64 38232.91 33801.82 36935.79 44635.33 29566.07 60867.59 90337.71 44327.16 41109.89 70575.81 43723.05 85764.5 39445.48 41954.02 41668.96 25986.68 34332.67 51690.02 45080.88 43595.81 31140.42 35356.6 32922.19 48847.42 39336.03 49163.79 37881.26 14968.62 32114.66 40238.88 47593.35 32748.83 43219.25 43809.94 122429.8 50190.01 34064.93 36420.48 32350.41 43748.04 53041.97 42066.1 41937.96 52325.74 42649.45 48300.62 36757.62 111522.81 47105.54 111711.18 45314.71 99366.21 52839.17 63457.55 37487.36 15255.9 43206.47 48521.73 37139.57 35106.52 80963.45 51297.02 47109.75 12530.97 53204.67 34909.73 45845.94 42820.07 59451.36 24617.89 41259.12 41433.92 42558.83 36552.79 45148.37 45713.04 47555.22 46020.78 45740.98 45135.91 45793.07 43810.55 45121.81 Gln-Ala-Tyr 2749.66 2178.66 1328.32 13606.27 7792.74 17196.94 13518.36 6074.56 7140.51 9244.63 1554.29 4203.18 17219.95 13250.26 6659.71 14974.53 10510.05 5556.22 30178.82 6625.38 2698.51 10459.79 893.35 15644.59 2514.19 14614.7 15792.68 1625.5 6741.61 7982.2 7301.87 28582.01 1953.33 19616.07 18786.84 6747.85 12694.84 8324.95 7957.27 13058.04 15779.11 3119.66 20628.82 8838.67 11998.25 12904.92 5601.34 19426.68 8170.21 34323.67 8589.92 2913.78 23313.73 19481.51 4437.69 8265.45 12454.02 4571.43 9617.24 4926.34 11926.84 11914.85 11885.32 19051.32 14672.59 2976.72 3751.12 14294.05 13927.72 8319.35 3653.25 11869.95 14273.7 20306.22 14871.34 8079.82 14345.17 12915.48 13623.25 13663.43 12727.43 13320.87 13021.21 13827.69 Trp-Glu-Glu 615.82 193.24 5940.42 2569.08 3397.1 1472.86 4642.23 3687.55 1630.01 18054.31 4652.09 3571.42 743.02 371.27 2925.43 13292.41 58241.15 1505.9 2916.91 338.9 2152.43 1467.41 1879.56 1645.66 1446.07 537.69 2549.93 3094.13 339.45 731.63 888.17 1380.78 18269.31 4824.08 3989.49 1312.82 2159.89 5698.71 2630.04 2621.22 3772.62 3220.83 3208.33 4069.75 282.09 7686.82 10745.91 3970.1 2897.24 530.55 5541.86 5313.18 3837.86 3698.43 3122.11 8485.08 61601.76 2200.16 15792.53 1298.97 3542.96 1146.46 2962.58 3514.25 1819.62 2451.02 1844.36 4304.75 2408.72 3480.3 3806.49 4487.46 2391.27 1441.49 1154.86 8528.09 8517.04 8555.87 8517.62 8405.71 8331.56 8466.63 8338.23 8064.07 Arg-Val-Thr 13640.22 6430.59 5984.42 13604.89 12494.13 6869.74 10790.58 18421.51 16895.57 6227.97 17193.39 10182.39 9708.31 9766.85 10964.28 14917.49 14439.26 5722.73 12206.87 16040.9 20510.89 6236.58 7613.88 10741.99 12689.31 13509.36 12244.18 7989.46 6792.33 10947.88 4499.06 7450.29 3068.98 13477.08 11940.97 11489.19 14707.35 8897.99 8661.15 9719.83 20424.87 16223.54 10647.61 6153.58 9833.84 5854.31 5380.12 10083.2 5443.1 10667.92 9601.1 9135.93 9101.73 9129.51 5787.88 11659.27 11062.4 6515.63 16065.91 7666.09 11258.32 11170.88 15716.89 10798.6 7209.82 10663.82 6205.96 16303.95 5053.31 13930.04 4136.73 2431.07 11517.39 5282.36 9220.9 11233.79 11180.69 11224.81 11209.07 11949.13 12178.48 11464.82 11180.99 11474.89 Leu-Ser-Asn 710.51 5245.77 4024.17 3167.5 1276.87 440.58 6368.61 7844.05 8388.02 6359.1 2883.25 5815.06 1681.68 848.56 1464.59 3015.74 1437.1 1745.7 2826.1 3952.79 11983.38 2202.16 5320.17 5073.55 5697.33 5265.83 651.47 2749.48 1246.97 608.79 16889.24 1958.83 754.88 11131.11 8161.72 10188.28 14795.04 2463.1 6410.63 4669.99 21286.04 19657.22 8391.13 5274.1 12748.45 5362.63 18144.08 6628.3 7185.73 19193.64 8568.3 4811.03 6558.63 8589.3 6986.55 3997.29 2852.13 1942.89 6595.7 947.32 4814.86 3700.09 2816.21 4782.18 3434.03 7431.94 13450.14 5391.49 7957.5 8754.78 9556.99 6335.12 8771.1 3992.84 4296.01 7432.73 6954.8 6357.2 7059.18 7319.02 7305.62 7067.44 7318.39 7481.33 Tyr-Ile-Lys-Lys 158823.26 221619.08 192987.46 199034.78 207205.49 212258.35 158131.02 115512.59 161105.69 165667.78 134757.68 225718.55 296458.49 234996.97 198221.09 205198.29 217320.89 268608.19 230296.37 254387.5 267426.53 240380.26 240993.02 127396.19 144384.7 211111.56 143546.94 183879.62 206853.02 215197.65 209870.7 262106.83 322515.58 217965.6 198082.89 241805.13 218989.64 258954.74 238756.88 205562.38 203923.36 200952.57 170626.37 169524.81 179376.24 75649.67 160710.35 176640.77 145026.39 232063.86 203873.44 209060.89 163563.83 182314.51 147139.47 219790.19 212549.54 153805.37 155037.64 153679.23 155154.27 150596.44 160994.48 159622.34 153640.96 151899.54 199494.77 170949.9 156278.64 153741.78 169420.8 157031.78 135540.52 224616.2 203733.56 1881.01 1755.63 772.18 3527.23 4093.25 3679.47 3923.91 1128.89 1791.78 1625.2 1921.86 2350.85 3063.75 2379.5 1500.76 3578.39 2270.93 4055.33 3861.6 3333.79 3983.47 2327.66 3716.38 2296.63 196576.15 194204.3 196813.2 198340.88 202578.9 194821.35 198275.46 195105.68 197991.37 D17-6Kpgf1A 65141.02 22493.96 17686.87 120453.55 22216.83 491836.33 164969.41 41825.92 27306.56 26369.94 16910.96 28984.24 86136.14 25952.76 20248.87 3929.68 28615.73 14788.95 23405.68 14718.94 16064.3 21015.49 14108.29 28145.95 40617 31494.53 27850.53 36549.83 31522.52 15585.8 16317.04 32351.46 15440.79 21777.91 23437.07 47410.6 23763.19 21612.84 17984.41 18430.24 105806.82 68004 15551.57 26102.05 17743.35 158581.6 25665.39 22916.09 6158.78 36353.56 56225.72 23678.94 17140.47 33693.54 43764.81 17828.19 14591.6 6610.34 19157.19 36744.52 13368.08 28309.85 20836.12 22638.8 10074.45 42097.71 32706.86 27839.41 23956.72 26254.71 21109.01 20179.76 9716.29 15384.44 40224.59 66576.14 66155.22 66199.88 66143.31 66373.65 66580.24 66143.63 67923.46 66152.58 (S,Z)-N-(2-Oxotetrahydrofuran-3-yl)tetradec-9-enamide 627.05 488.87 421.99 1542.95 55110.64 16934.7 21544.36 1086.76 1144.24 1575.47 306.91 421.66 695.91 654.74 1953.21 16033.36 1529.44 1433.7 991.87 803.78 1401.91 405.43 855.23 988.06 541.81 1524.85 197.17 1056.34 830.62 931.33 954.24 517.94 1303.14 248.39 200 192.97 388.21 1197.28 1841.62 324.18 10673.82 1312.94 169.98 243.38 151.18 5160.86 1722.88 294.85 937.53 596.39 2343.35 2001.31 422.59 1158.32 6040.06 2033.8 6181.82 1221.41 802.71 2935.16 6303.52 147.28 1151.21 938.31 705.68 2768.9 428.51 1251.39 775.81 715.34 1844.49 1688.11 1676.55 1420.4 1176.23 4916.55 5107.06 4911.84 4547.19 4995.08 5006.91 4916.65 5006.03 4979.84 Arg-Gly-Thr 14339.41 14608.58 16295.6 16399.19 19492.65 4896.95 18899.16 29784.05 10430.84 17486.02 25382.29 15357.08 1511.17 3411.39 18201.21 9208.07 22197.85 9673.19 22504.66 1324.91 4187.14 53132.93 14900.21 14777.77 18198.89 36218.4 14917.29 13715.42 24968.66 16088.52 12474.46 5554.48 11790.09 14118 9885.78 16968.06 14521.72 10861.01 14078.98 13405.15 13851.45 15612.46 14910.31 13169.39 11306.53 16282.14 19251.28 5028.96 17791.45 8222.61 12673.07 19496.67 16206.96 14181.49 22476.98 44272.51 10614.31 20404.03 14244.48 22436.31 14667.38 15227.84 7096.64 22073.55 9033.32 15033.84 7051.26 15988.97 18696.89 10491.5 7515.67 13057.05 13825.71 14070.68 15865.91 12936.42 13138.45 13635.91 13848.46 14831.91 13547.77 13857.4 13964.08 12186.53 His-Ile-His 0.46 0.46 0.46 0.46 932.99 1211.76 894.55 12.35 0.47 0.51 0.46 2.65 85.6 0.52 0.51 0.52 0.5 0.5 0.46 0.46 0.47 3.27 0.47 0.46 2.63 0.51 0.5 0.47 0.47 2.55 0.49 0.46 0.48 0.46 0.47 0.49 2.42 13.93 0.46 0.48 282.8 14.74 0.49 2.49 0.48 86.04 0.46 6.6 0.51 6.35 13.19 0.49 0.49 7.27 13.2 2.53 2.58 2.51 6.84 34.54 0.49 9.16 0.48 0.47 0.5 3.26 0.49 0.48 0.46 3.58 0.51 2.85 0.5 5.01 21.84 106.73 107.66 111.87 105.31 121.06 109.09 107.32 106.56 106.58 Tris(2-butoxyethyl) phosphate 73373.32 102661.06 118544.74 76440.02 3564.47 100212.85 49109.97 109258.97 61228.15 86591.08 100486.75 67787.63 71055.62 79548.35 75128.49 59238.54 88117.69 114987.02 95076.06 88087.85 109617.33 74041.93 85348.7 67372.49 55533.82 106749.41 86824.77 79988.64 59540.4 72935.87 92523.42 89199.33 77732.38 93766.81 69858.86 73779.7 90891.04 103059.86 104633.21 83036.11 68823.24 86683.25 89894.91 85944.27 86666.05 45458.42 72599.48 81035.11 30156.34 115146.76 87054.58 91761.55 81700.41 80693.68 89431.04 96027.38 91183.39 98499.18 99236.1 77168.65 110540.54 100105.41 71415.47 75975.7 92756.66 94884.54 125019.83 96530.08 81067.28 67874.74 92000.03 88574.58 55656.43 72259.88 72086.1 3799.59 3270.94 3370.23 3474.6 3300.59 3669.69 3228.43 2878.03 2911.77 3581.2 1841.96 3256.23 2922.83 2157.21 2752.73 2327.14 2893.57 2016.49 2355.25 3210.78 1796.55 3514.87 1932.95 3096.2 1637.28 81615.25 83364.65 82363.61 82382.15 81605.07 83375.51 82368.21 82223.09 83075.97 Arg-Val-His 47203.69 27202.27 8329.17 4779.94 12859.38 16822.3 10591.58 17230.81 10627.36 1547.57 12111.57 19128.64 12081.71 13729.17 29307.99 13310.6 16140.99 32149.14 5541.22 30798.82 10353.68 4965.46 2592.61 9300.03 33574.19 27499.18 9833.71 14919.71 14032.65 6628.99 18512.41 9750.64 5847.93 5698.94 7339.68 18333.46 22789.49 7581.22 2846.33 12804.54 19305.12 36334.91 15756.86 32876.33 15280.61 9717.47 33249.47 25309.77 5516.08 12769.51 37725.61 21467.76 20275.38 20417.42 28565.66 26547.57 24518.69 17117.77 13806.47 16711.89 12210.44 7235.09 40181.09 11080.96 7656.4 35371.27 14161.33 16749.92 23145.22 21534.38 11000.82 8923 17236.4 24727.19 14040.47 15028.37 15862.14 13487.34 15532.24 15489.32 15515.04 15195.41 15050.38 15071.05 N-tetradecylcyclohexanecarboxamide 1290.6 2537.89 1886.71 2890.68 2430.04 2560 2805.87 1816.33 862.8 1013.67 451.3 2656.47 7299.43 3499.4 2319.39 5017.87 3943.71 3171.23 5987.8 4971.05 2357.32 2522 2911.63 1970.99 2269.45 1648.28 2136.46 2416.8 2464.71 2925.84 3502.69 6735.18 1906.95 2437.02 2652.08 1307.82 660.83 1042.28 1490.12 1300.33 4236.14 3135.18 2707.48 2262.32 1673.35 4903.02 2043.46 3815.11 3416.67 11167.62 3632.28 950.6 2262.07 3026.16 896.99 1622.86 2539.39 1984.95 712.23 1109.6 2241.17 1147.72 744.49 4224.48 2090.57 1363.91 3326.05 2258.76 2559.07 1425.64 1201.78 1099.22 1109.6 4628.49 3755.18 3082.52 3111.77 3142.29 3142.45 3160.72 3042.54 3139.7 2886.19 3136.19 Met-Phe-His 26142.49 36206.98 18074.87 2554.24 35689.58 34638.24 15936.43 41561.86 37233.28 22658.88 19657.82 12605.34 16011.64 20524.67 35919.99 27468.88 21751.5 24035.94 19976.49 27232.26 5066.14 9404.75 11872.19 23591.39 35508.97 31294.05 18916.12 21834.72 23824.07 1019.9 31746.94 11069.2 18246.02 13450.63 9287.96 22703.78 38326.28 25578.41 13988.75 26103.66 24392.27 29931.89 23729.75 23547.39 17221.03 20622.35 28255.3 11325.66 14759.4 26028.46 23704.98 24537.76 21701.19 32912.32 15941.91 32540.79 35188.74 47720.04 31360.76 23410.08 22503.33 14979.08 37578.05 16448.73 22694.34 28542.11 38915.73 19162.72 18840.1 21826.11 30229.55 21760.49 20675.01 54688.91 27292.94 27343.97 28122.17 28123.29 27834.17 27741.55 27733.16 28151.97 27609.86 27985.09 His-Ala-Val-Asp 16536.52 12000.55 11382.39 12713.92 9023.44 13666.68 19952.94 25889.09 15840.35 15435.08 22441.17 14571.5 13445.49 16555.66 14242.04 16384.81 14195.46 17840.62 11957.84 15830.54 19539.13 13469.43 10786.36 14748.34 14598.84 17341.05 14987.82 12590.54 14656.84 13659.99 14541.68 14411.53 11251.04 12714.35 13464.18 13125.27 17640.43 15396.83 13694.01 14243.78 15733.35 13986.35 12933.34 16403.07 12104.69 15539.5 15782.87 13689.59 4196.04 15111.44 15608.29 14895.56 13122.46 12673.09 19133.44 14485.58 10795.03 13918.26 11960.95 11389 15557.74 14405.06 14436.75 14481.58 13819.16 12658.27 15945.93 14315.68 13993.83 19510.63 14366.69 14462.63 14028.2 7472.5 12625.63 15031.87 23235.79 12742.83 12592.69 15239.68 12679.75 12853.87 12358.05 13097.25 12264.08 11935.5 12451.5 12866.13 13652.72 14506.63 11450.05 12215.89 17579.79 13895.74 11876.29 12233.87 13596.08 12295.82 12723.91 12350.32 14334.99 14659.89 14360.83 14648.78 12661.91 14342.11 14984.58 14631.07 14446.02 His-His-Lys 2344.37 4476.4 4999.03 3076.31 1656.72 4039.41 1743.99 4178.48 2755.54 3547.01 3808.55 3097.95 3319.15 2599.33 3497.42 2142.28 4159.57 5855.31 4178.97 3627.49 6001.75 4193.63 4719.2 2814.31 2149.12 4730.95 3382.53 2982.24 2145.45 2659.02 3435.18 4208.85 4328.14 4583.36 2010.77 3115.85 4268.09 3816.62 4674.02 3910.38 2758.86 3658.09 3022.8 3794.51 3408.09 1149.45 1501.31 3305.94 2044.15 753.81 2258.86 4094.98 3513.89 3408.85 2755.35 6817.48 3955.76 5003.98 4607.91 2765.97 4200.99 2987.32 3259.05 915.54 2662.23 3306.68 6700.73 2839.73 1531.26 2542.6 3872.01 3010.66 1982.47 2262.81 1551.52 2393.74 2918.5 2895.99 2770.33 2714.12 2895.33 2751.62 2889.51 2837.35 Trp-Glu-Thr 6772.83 15152.87 35232.83 25698.4 6226.59 10618.24 2169.32 781.96 1597.64 10908.75 7454.2 8248.35 21629.07 9519.94 18051.27 9287.91 11137.78 9761.74 451.48 6540.18 639.35 5178.01 6562.12 11286.86 10601.17 4137.4 438.27 6155.24 405.19 1972.81 517.75 5088.89 2433.63 12911.34 17455.64 4634.99 11901.66 4918.46 6956.86 12221.69 4931.08 1206.02 14294.95 11934.42 7955.06 9684.25 8407.61 998.39 7014.4 10422.98 1149.56 10273.95 10313.72 24310.67 11472.32 16452.54 23479.67 29326.88 4418.12 8198.25 14026.34 4335.89 21017.3 27724.03 14113.58 13331.81 6900.44 10412.06 10518.72 11190.89 8300.46 2577.3 5501.13 40091.35 19336.49 12991.47 12846.6 12617.35 12728.6 12564.84 11728.99 13028.24 13246.15 12865.52 Thr-Trp-Met 207958.78 311385.57 306271.71 284835.28 71195.47 184202.93 123275.91 219895.28 382364.74 342951.9 253721.38 244915.38 115224.25 274266.34 216539.09 190199.41 355974.83 197607.79 358841.21 186514.82 269240.18 271982.63 209262.01 159616.82 292620.58 222378.12 341026.16 220646.02 166252.28 318157.06 152263.25 251566.19 286612.06 276363.46 309155.15 215467.96 396025.87 374903.47 287477.46 399813.29 118843.64 252636.45 270409.88 357881.22 150541.38 259167.5 255193 238622.45 130689.46 216812.42 345661.14 315353.64 230819.83 244991.02 262372.1 300736.74 287036.77 396563.64 175708.5 216423.2 242310.13 419430.82 257928.34 377149.02 383416.21 307127.04 303865.04 391692.14 380596.52 299901.74 321910.62 312836.26 255844.28 259215.19 281004.35 262913.34 264446.73 260043.84 265971.5 262283.74 265816.62 263488.24 261614.38 262927.64 His-Ala-Ser-Leu-Asp 6027.27 6305 837.95 7588.93 734.31 60362.45 22289.5 17509.48 1738.84 6726.63 556.5 2029.65 11881.12 3973.82 8394.7 2352.94 475.27 7271.43 7122.83 3536.87 7345.1 11106.31 888.96 2643.12 1563.92 6382.41 2280.98 548.75 10134.73 7314.79 1416.57 31868.28 1275.04 4188.89 6945.5 10876.93 13600.92 9874.39 4019.9 3548.36 19911.5 13874.66 3663.1 3041.82 13128.14 9592.3 6102.15 8551.61 2972.84 7118.65 10955.79 9495.11 3843.29 5074.55 4216.84 5258.51 8894.99 1099.45 11002.96 16881.12 3021.83 2815.28 2115.88 3092.54 4496.64 9340.3 14785.73 3729.05 4238.35 10472.23 16902.06 5069.5 1761.87 2305.05 7106.5 10968.14 9098.51 11287.4 11292.41 11426.39 11175.58 10974.54 11311.98 10733.66 Pro-Gln-Ala 3851.51 8625.37 4922.75 1575.95 12771.81 8252.73 15850.26 10404.15 11566.08 4857.15 4867.1 8177.61 12234.26 7684.35 10696.44 9717.66 6654.33 8655.24 12687.93 9049.95 13623.74 6276.81 2539.04 4960.41 9864.35 12105.95 1411.73 8438.49 19281.24 10352.67 12764.18 8767.66 5023.05 8175.78 5734.59 14242 9803.5 6744.92 4429.9 5435.82 13868.35 16431.96 9211.03 9392.54 10367.79 6342.09 16437.95 8271.01 6923.01 12577.97 10247.07 9467.15 6924.69 10527.71 2936.94 8582.53 2064.55 3797.65 2876.44 5494.99 3377.83 2885.76 2837.16 4649.44 5049.02 6199.29 12064.05 8152.78 9996.02 6611.14 7788.83 2968.47 4670.92 8175.62 5848.26 9492.83 8000.44 8318.29 8329.19 7966.83 8344.36 8346 7406.78 8004.85 Cinnabarinic acid 1492.99 1010.1 3667.35 28387.48 31271.49 52523.94 31259.33 1407.92 731.25 1172.29 1142.97 323.03 14317.58 1596.23 1136.22 1477.07 656.82 839.66 1575.35 671.31 1527.91 8102.71 995.02 1624.16 984.79 807.99 2101.37 1451.44 182.09 2229.45 1370.29 827.86 994.03 5599.25 1870.72 2293.13 1094.5 307.47 1472.34 1855.57 21512.68 1369.28 966.76 1323.32 1282.31 31739.94 698.32 2151.31 836.95 2603.62 2162.16 1491.55 828.41 6356.25 3683.79 1495.57 1913.31 1560.52 816.28 1831.8 1224.68 222.71 332.01 514.9 1128.15 3162.86 1492.71 827.67 1045.92 1037.39 1188.69 1218.31 1017.89 7890.75 6203.14 4554.4 4554.36 4583.66 4553.79 4554.31 4603.7 4567.13 4483.1 4582.19 Cetaben 3810.12 10262.7 13473.04 2910.88 783.6 13341.55 3490.52 4016.69 3448.7 18573.66 3834.33 3030.29 20567.83 9584.09 6912.87 9567.12 20391.54 2851.22 924.92 3357.15 2541.42 5591.37 1063.73 6080.85 6525.04 1374.86 8237.73 662.08 851.93 3589.42 555.7 12290.11 1706.4 34695.96 23848.11 2514.8 3646.06 8200.85 2584.56 3875.13 6796.47 9611.95 14403.79 16704.03 3256.78 4539.71 8469.11 5598.4 10167.73 3382.64 11258.29 5291.49 12899.06 26028.67 4250.34 4436.9 12377.32 9134.53 3748.49 7404.64 8633.83 4856.75 4942.2 7946.61 3135.65 4478.81 7678.26 11811.37 10277.4 6575.17 5034.59 5834.73 5194.07 19711.89 22526.74 6898.67 6953.28 6781.14 7340.04 7316.77 7473.98 5483.37 7312.52 7024.29 His-Arg-Val 229245.47 70717.64 19305.59 3637.41 24438.69 1394.91 42273.69 91491.19 179163.56 107707.52 111791.45 17542.12 106727.7 92048.36 61751 27624.31 25504.11 1510.43 119976.63 53953.54 63732.85 23625.72 53065.51 127742.34 90282.79 59418.56 251196.15 180678.02 3942.93 4349.2 35994.32 57589.03 1335.08 163542.79 64771.64 51840.78 87090.21 30274.15 171547.61 62317.18 27565.52 136244.6 59286.92 102392.18 129141.97 67627.03 67181.84 19432.41 157346.72 86287.28 197368.71 33026.77 52491.84 61459.73 67535.4 53139.41 16522.64 33420.37 42539.47 9145.76 80363.44 71353.49 110797.55 27493.74 16222.08 115555.34 46543.46 167118.51 50196.24 94544.28 144775.99 137931.17 53734.73 43355.72 119767.49 81785.37 82996.66 80896.71 80989.92 80469.96 81385.02 81758.62 81767.78 81795.95 His-Asn-Ile 13897.13 17809.98 17129.4 8795.88 5837.3 41487.73 8239.89 19878.84 13253.17 20859.41 18236.1 19829.35 17656 19763.32 21317.47 11299.33 22881.68 36421.44 30822.8 36032.98 35706.55 25148.92 22953.15 14605.55 11084.23 25159.04 18601.32 22995.58 12269.7 16217.19 22956.86 22027.34 34745.29 19468.45 15917.34 18325.54 22622.1 23794.76 28906.59 22591.23 12108.84 21153.33 21828.65 19534.13 22145.23 4868.69 18124.75 19824.96 8077.64 13281.24 15327.41 15124.21 12683.16 13680 14600.5 25882.88 20857.17 30930.7 26074.07 18725.09 21724.48 22454.62 20112.29 16173.65 24588.8 19639 28203.35 21665.66 17115.92 13534.32 21891.91 18066.44 14032.51 15072.63 15510.72 11971.91 9140.11 14023.79 12595.68 11931.72 12558.38 8836.3 10214.73 17165.97 11152.08 6372.91 12011.39 7512.22 8322.15 9094.91 7325.17 9960.17 7970.98 8926.55 7286.63 14937.41 11003.04 7766.65 13536.7 4831.01 13527.58 15477.1 15470.61 16088.05 16073.1 15515.48 16206.83 15896.48 16051.64 9alpha,15S-Dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid 11902.19 7731.97 4507.1 55535.72 80829.66 698.75 182108.36 3833.45 5064.35 1261.88 1552.56 786.62 31783.79 2556.66 7996.85 24535.02 4680.93 2311.91 4992.02 6131.64 6032.93 1005.12 3938.28 4630.08 3229.29 3009.5 421.92 1520.27 8911.25 3003.6 5514.52 592.8 932.66 7765.08 6129.64 315.59 1218.03 5191.1 3408.8 2801.15 55007.33 8914.06 1100.05 1669.71 1254.65 55493.53 582.39 1194.01 769.04 6029.21 6883.06 2865.47 2085.96 10487.91 4292.39 1796.22 3525.64 2500.15 2149.21 11524.64 2247.16 3933.02 3080.9 4972.01 968.26 7154.49 793.76 1103.59 1268.39 199.35 256.01 1549.86 2935.38 2772.97 10350.22 23979.88 24348.72 23987.81 23575.33 23541.17 23545.52 23973.97 23584.31 23738.73 Pro-Gln-Gln 1673.73 3898.8 2132.23 4110.11 10403.82 1597.35 8558.69 7102.53 15398.77 7355.05 3862.24 5641.32 6823.9 1690.52 13743.39 4940.72 418.64 8403.83 4455.48 12028.31 8027.61 3604.91 539.52 2838.19 7523.19 5057.44 831.8 2188.98 2461.3 2106.27 2027.2 12404.9 3204.35 2481.54 6386.34 3397.8 4497.52 4095.07 2292.01 2650.35 9883.16 12609.63 1892.87 4386.95 10173.54 6963.2 6820.14 675.1 3312.13 3412.05 14455.73 2194.43 3105.37 5528.6 2147.4 1828.9 1260.99 2473.61 1129.84 2149.74 1628.92 6189.15 7991.97 5997.79 1506.1 13368.82 7559.87 8967.52 4201.25 4109.84 3690.05 4884.33 6912.2 1276.75 6508.01 8051.28 8785.28 7682.57 8558.42 8696.92 8473.96 6689.43 8542.67 8181.13 Clorgiline 367.35 1814.82 6184.62 1755.98 1050.13 3080.57 1558.1 498.62 368.1 2071.73 533.65 936.27 6113.03 272.52 819.24 1682.38 4088.07 282.93 4000.26 642.75 357.8 894.11 238.92 584.67 830.24 325.75 402.59 641.29 9375.94 915.37 1952.86 395.94 1548.83 1688.46 2211.5 1084.1 1686.4 725.33 552.45 1045.93 1133.85 1426.74 1007.44 1139.44 528.23 21997.08 478.29 960.44 23995.62 5484.35 1094.87 417.62 1164.03 3962.06 1607.48 341.34 3395.86 832.17 1335.63 504.89 623.76 251.09 608.71 1105.38 548.95 5654.74 261.38 28966.01 729.9 208.68 342.71 2453.18 841.16 4299.36 3580.42 2814.07 2798.36 2861.87 2811.33 2750.36 2790.97 2773.29 2812.46 2814.77 LPE(14:0/0:0) 61319.52 50688.09 23645.04 20054.76 739.3 41035.49 8682 29720.76 17932.35 22829.85 36116.41 19661.71 26367.89 32692.97 50915.64 14262.05 20194.58 42216.13 14092.61 26596.9 17927.21 7179.28 10327.57 17884.05 35410.23 30306.8 18005.11 35019.08 18929.42 11233.17 16385.74 2369.76 13476.8 21539.69 26110.39 28669.66 56571.86 15493.93 16841.76 60955.15 7194.73 44639.42 31372.88 48098.5 25789.88 18490.69 25144.67 21651.45 11789.56 20586.69 37264.98 38281.38 48871.51 30085.73 56935.58 33465.8 31383.23 45341.3 32236.74 17204.69 27576.04 13786.45 70993.72 28132.02 31008.13 47142.1 32973.47 26646.89 33416.22 36647.24 21417.67 12025.01 42453.56 32342.4 21821.71 10321.67 8658.21 13990.29 9712.0 10357.62 6048.97 4390.97 11606.01 8629.6 2250.59 3470.94 4440.75 7207.0 13587.5 4181.28 6325.51 5480.71 14486.17 7052.2 4963.11 6237.99 4790.29 7963.3 8114.41 23519.81 29188.44 28784.21 29186.57 28833.85 29137.63 28894.82 29195.51 29192.36 29072.12 Ala-Arg-His 41257.61 8379.21 4618.26 792.41 10275.92 3489.93 7036.29 11288.2 12153.54 2309.55 4216.42 3703.94 16443.61 15282.69 7026.65 6959.58 2511.71 6553.63 9505.19 772.2 10029.87 2632.98 943.09 7007.63 7433.96 15744.05 14352.22 10207.58 1193.92 1553.58 8897.38 9270.28 761.92 10552.22 1094.71 10864.35 10637.88 9086.8 11984.55 5098.65 11016.48 19652.26 3221.05 8256.13 36763.72 2838.14 4529.71 1918.08 12472.1 5138.39 48000.74 5546.6 12303.17 6461.67 3758.97 2461.21 6029.89 3183.42 5241.65 2271.96 11391.21 10691.45 9694.51 5271.36 3564.19 17119.84 13333.23 8507.28 5114.36 13256.44 17048.81 7823.16 7542.38 4635.41 6880.58 7128.35 7817.05 7798.61 7868.97 7610.7 7816.82 7662.15 7599.06 7654.19 Pro-Glu-Thr 18523.94 19310.41 7317.43 7259.93 38655.12 25629.56 16285.06 32587.42 28033.54 19801.27 8254.47 12452.97 13898.03 10274.08 31501.88 11584.6 5989.27 21625.46 34832.45 43836.58 28996.96 20503.81 9389.09 6983.2 26876.99 26067.49 10187.18 8018.68 21383.78 3960.86 29583.82 30664.73 7016.52 11903.38 7460.52 15042.76 26905.06 25874.26 11237.53 5927.09 52799.32 42414.19 8339.39 7066.01 23757.26 29893.86 21420.54 13681.74 10586.82 20297.64 25374.08 18785.94 7884.04 6504.37 17577.27 19919.88 4055.85 6503.48 15075.14 17942.12 6505.13 7291.41 21813.78 8246.75 7332.91 27486.72 30665.67 5696.26 9285 22305.38 25876.51 16266 6494.62 4795.88 8624.04 18650.61 18819.17 19094.95 19597.16 19490.68 18243.15 19132.99 18658.94 18894.96 Pro-Tyr-Gln 5344.28 8880.27 22171.75 16550.09 12980.74 38929.69 5060.75 2586.51 8745.21 5697.98 11911.28 10862.63 22354.4 9348.13 5395.48 13761.05 13399.18 13670.51 23952.75 22227.51 4744.78 2653.11 4548.08 10243.83 7693.88 10440.19 9979.08 13139.89 13357.94 7762.23 8144.42 66894.8 8098.72 11598.25 19164.7 13149.33 9445.9 4039.35 7256.28 10807.42 4227.32 3581.75 19154.26 11419.48 2934.18 8815.98 38689.08 23132.31 5551.88 8040.11 4657.13 11369.86 18466.99 26150.72 6743.29 8299.73 20534.73 24000.3 5867.57 9059.97 6718.93 8898.45 5715.41 19854.09 15609.59 12119.02 2076.73 7669.61 7780.88 3068.59 4371.62 7872.72 13316.46 22510.43 17347.84 9137.78 11126.73 8195.83 15123.69 9976.91 8322.86 8592.64 10749.59 14213.72 Gln-Asn-His 13546.92 18628.53 1144.61 4772.04 16267.76 11318.88 4584.13 18239.13 19009.78 16975.93 8334.53 9811.93 3283.7 6979.68 5884.58 7191.92 2255.99 6403.85 11537.83 7928.95 22427 3020.63 4610.34 2479.66 21317.89 3139.3 6392.68 11365.27 23773.74 923.53 3201.61 22751.4 25405.32 933.32 8097.52 19155.04 24049.26 20330.58 5798.21 13267.78 24874.51 21620.52 11087.42 8918 27035.14 1377.01 30335.75 12861.62 10069.5 22066.36 13588.82 9709.82 10535.57 4007.68 16857.57 10271.3 3075.66 5253.39 21839.73 5269.68 7606.64 1685.54 15083.81 5544.85 10219.1 20467.91 14540.12 9892.56 13705.74 23512.99 17363.56 12039.48 14660.35 8257.84 6220.73 14671.53 14569.57 12807.87 14390.02 16543.08 14166.32 14661.47 14179.32 14170.14 Lys-Asn-Cys 887.39 72428.2 12663.76 16123.79 81844.63 12200.31 10974.31 78108.58 80661.23 13092.96 21684.4 6085.1 15331.67 5187.99 75803.67 36589.54 3966.52 39416.69 25032.06 66419.85 93627.08 20062.79 14638.77 18945.85 45187.3 3914.52 23134.95 24435.97 44480.44 17037.22 70772.23 16610.27 47219.02 16611.64 1256.79 51462.41 49041.94 38356.7 6027.14 8774.17 65869.44 87595.4 2893.88 3110.29 69540.99 27966.02 55239.36 27353.49 8870.82 16871.78 54012.32 71817.53 2253.22 9769.53 51545.67 54239.22 7297.19 4866.43 54092.84 18774 1038.81 6738.22 53968.38 11061.98 2566.98 70175.45 95293.2 3210.24 2399.75 67208.36 34837.86 16371.07 23712.29 7839.06 7106.02 25465.08 25066.41 27389.03 26870.06 26933.57 27096.04 27376.86 27846.08 23085.03 Pro-Glu-Glu 20188.7 24034.28 25376.3 24023.19 24522.35 18444.09 37318.69 26116.43 31497.67 40616.14 39371.86 47113.86 26607.24 36782.87 29920.98 61200.45 41481.56 24459.06 75933.56 47462.77 19012.92 8031.69 26678.25 53597.52 39231.62 26011.55 46384.05 36861.42 27374.01 14215.96 41224.54 67903.07 20637.7 20062.8 47378.25 26520.97 36502.26 6471.88 26448.14 45321.18 42255.8 30244.07 64078.38 35610.07 32989.23 9522.04 37633.86 51648.04 28140.3 81625.98 7430.16 36460.76 45464.44 51873.38 21969.47 25481.73 23078.84 11055.09 31705.95 6616.75 31284.14 22866.92 21248.99 48628.62 33099.23 35830.23 39608.09 33153.58 40576.11 36332.6 23943.93 46600.78 36153.1 42583.93 35734.62 34690.26 34954.23 34910.32 34153.91 35242.5 34420.79 34974.07 34936.89 33970.59 Gly-Arg-Ala 15521.41 19700.72 13153.29 15362.39 17419.84 186227.13 33581.16 18294.27 6217.59 11002.99 18373.79 12395.75 10316.38 21851.15 16257.99 15249.94 12414.37 8474.28 16593.36 20191.55 20928.01 165048.09 11307.01 14581.19 11787.13 16801.63 17115.34 16483.35 12677.92 19560.07 14762.07 8023.08 12220.88 13964.99 12122.16 13715.98 16609.42 11680.29 16105.75 20446.63 11463.84 2795.23 7381.13 9445 14675.66 6191.54 7906.12 14296.32 19437.06 6117.35 10417.13 14671.5 7849.36 14422.18 16088.58 9411.81 16642.16 11949.75 2947.76 130293.43 18158.29 69477.01 22448.53 20850.71 11522.06 16552.22 13663.74 17059.23 23078.56 7811.02 4813.49 9489.15 20399.01 3592.11 13432.35 16959.69 18883.65 13124.57 18507.36 8496.06 19653.43 16110.95 16382.15 8966.67 16501.37 14425.81 9576.49 17374.27 16622.94 14215.73 13544.31 20520.86 19533.65 17762.72 13689.63 17856.27 19037.57 19191.76 23083.29 18260.04 17475.76 18274.43 17820.13 17416.62 17277 17373.88 17896.27 16857.51 17372.71 Glu-Ile-Asp-Thr-Lys 7172.69 4666.2 535.67 13493.95 13441.63 5766.6 7672.66 1258.65 875.3 1414.71 11136.81 19459.45 11216.21 16156.86 1576.53 994.51 1670.36 4536.31 1442.12 2576.29 1460.72 2049.6 18101.75 16499.35 2744.73 1646.87 23067.86 10364.94 1871.28 21460.32 5070.2 22875.51 859.21 19432.39 8709.39 7616.01 7345.14 6265.71 17857.3 8518.35 6384.73 12096.94 12278.19 8983.19 10999.39 14036.27 8269.09 19046.39 22253.98 23409.69 6839.01 6031.94 12192.76 17530.12 7221.13 4798.02 13891.94 11077.33 6707.44 13916.78 9145.26 12672.2 9032.66 10567.5 5822.63 8850.07 8134.19 11177.59 7520.65 5846.31 2471.79 8787.52 9489.33 17463.09 17221.49 9797.38 9709.76 9431.2 9796.81 9587.03 6957.68 9793.61 9817.21 9391.91 Glu-Arg-Ile-Ala-Ser 6051.29 646.04 985 2595.68 7153.85 1362.41 3993.09 4314.45 1892.48 3278.49 2731.56 4089.97 2535.9 414.31 923.5 1755.3 471.91 710.01 1104.35 1495.15 6709.79 919.43 3111.92 1477.03 2534.74 578.49 3338.17 4823.57 1043.17 631.12 2827.19 6753.16 1919.48 907.62 3422.68 5885.93 3708.23 1575.51 2414.08 1177.54 11687.22 10030.74 2972.35 981.19 5435.65 9077.64 5347.7 2077.22 985.18 4416.95 10751.68 5644.3 1230.61 5372.8 5018.36 2890.1 1151.26 1155.13 1685 3443.2 2569.81 2512.72 1184.26 5409.89 1648.47 7183.92 3208.61 1060.31 1706.52 6998.69 456.18 4407.17 2979.56 2212.52 2118.65 4293.46 3256.62 4288.14 4618.13 4060.06 4037.34 4092.56 4073.82 4227.07 Tyr-Val-Arg 4543.7 6470.11 2570.47 4157.51 4613.16 5185.11 3864.29 3214.05 3948.89 4102.89 4257.43 8970.57 4275.08 6560.63 3829.3 3766.25 3364.37 2664.8 1359.31 851.93 2283.36 4756.43 3673.06 2469.57 3141.82 6768.55 13898.78 3017.76 12553.92 6052.22 7637.71 5840.78 3113.03 4477.99 7276.47 8427.86 2271.98 14324.23 5623.13 5999.45 1489.34 2784.48 10288.09 20572.39 11210.63 6307.85 7385.41 4042.91 2440.36 8044.75 4760.68 12778.03 9206.64 5384.14 6002.97 5820.88 5915.3 5019.47 7111.35 2591.05 5037.99 3630.6 4724.33 4084.58 7304.78 5685.02 17358.75 6543.21 5155.55 7595.12 897.23 3515.02 4576.8 2610.9 5752.03 2667.82 4704.63 2624.0 1945.04 2364.96 1924.45 3247.41 2355.68 2571.78 2985.32 3594.07 2193.34 3040.52 1927.02 1333.38 3107.18 3549.7 834.1 2781.4 2926.17 2469.34 2170.54 2634.15 2686.57 2975.22 6456.28 6260.99 8390.69 6808.33 5977.84 6489.64 6182.99 5862.04 5690.68 Asn-Thr-Thr 5746.22 9245.45 2482.61 733.99 3689.41 7683.98 4265.54 7115.89 10478.48 8534.77 1049.16 2648.85 447.55 4217.32 1991.5 7399.39 4016.97 10454.02 14430.99 2889.54 1847.99 880.71 3976.04 3456.7 4295.66 2961.42 8251.16 12888.91 474.58 947.35 751.77 9324.65 9306.28 7770.73 10614.79 4558.99 10651.41 8967.04 6078.7 7064.95 12630.36 5815.85 9495.33 5894.73 2734.92 3860.26 11500.28 10174.92 7700.33 17496.36 4897.9 11623.89 8834.62 7692.81 4966.34 7174.19 2551.47 2703.25 9261.01 3835.28 3128.74 3905.89 6410.72 6540.22 4713.45 12816.72 11326.34 7540.78 5343.68 6668.18 5408.81 4593.56 6793.37 6005.96 7865.75 6386.21 8731.92 8455.13 8336.92 7455.91 6897.86 8102.8 7631.4 7582.85 JWH 073 4-hydroxyindole metabolite 7431.34 4995.28 1741.67 8653.53 11083.63 14542.09 14054.44 8418.28 9322.54 6488.46 5095.75 10553.82 15951.37 5551.1 8540.1 16556.78 4759.47 7590.08 7020.04 9648.47 9464.08 8222.1 4799.76 5407.25 8418.23 4524.81 6335.48 4409.03 10926.43 8694.87 7096.91 18287.34 6973.96 7565.43 6687.21 2702.17 6681.46 7679.93 3585.06 4784.87 11151.92 11968.1 3512.72 4072.4 10091.47 14689.76 7553.6 6697.42 12376.17 15624.67 9386.63 7164.45 6760.35 10806.39 11267.82 6568.66 2980.24 1468.63 11008.31 10012.51 4593.4 5807.05 7765.67 4244.41 3538.56 13026.62 7399.48 4087.47 4370.36 7216.66 5419.75 7521.36 6140.72 6901.92 10183.31 9510.28 9671.18 9636.94 9272.66 9506.29 10059.06 9596.24 9675.68 9496.65 N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)quinoxaline-2-carboxamide 1916.03 512.84 954.06 7014.38 2054.76 1509.2 1017.57 4171.11 2177.42 489.08 1998.98 2682.09 729.26 1510.21 2293.98 764.13 554.97 1452.48 1843.98 1287.53 3638.79 2602.03 2714.61 4828 898.71 2152.51 2898.42 2802.87 1378.58 1286.63 2106.91 2365.53 1811.04 875.44 5024.85 4397.02 3492.03 3790.27 2124.73 8366.03 3334.92 3201.5 4246.06 2672.52 3464.78 2659.3 1822.27 3895.91 501.1 3208.52 1835.53 1158.48 5488.09 7243.74 3080.33 1098.33 1050.44 4618.13 2126.38 2383.19 2930.57 2555.61 4529.73 9538.32 7692.43 1237.64 1028 2270.78 1383.23 7261.26 3060.84 1857.63 5007.61 9826.45 4367.7 2878.07 3000.64 2457.5 2950.73 3008.45 3023.1 2984.07 3019.41 3007.66 Ala-Glu-Gln 9347.58 1013.32 7330.94 5822.42 45585.38 5800.22 12241.31 16254.55 18292.6 20353.91 4038.66 24378.61 3374.3 4417.15 8548.34 2930.47 6172.82 21906.25 25817.19 3511.75 26066.81 6978.56 8315.26 1932.62 1789.07 26440.57 15997.56 2287.62 9136.02 17106.9 2535.59 86738.52 4522.19 12345.96 10376.69 12997.61 15536.5 13745.27 6112.55 6481.38 10191.82 27517.18 8160.23 7755.46 28355.68 16130.36 9866.47 10553.76 27340.14 18666.49 25111.52 13422.19 6216.36 9651.06 22719.32 14517.48 4665.81 7202.07 16338.24 16950.03 8818.55 10660.6 9403 13115.74 6879.47 16827.73 6299.82 10155.95 5458.3 11689.4 9668.69 9499.1 5373.67 8088.54 8380.56 7467.83 12717.68 13896.57 11584 13710.31 12799.19 13498.42 13545.47 13304.57 Thr-Ser-Arg 3308.27 6978.46 768.4 5600.59 5026.33 1614.13 9258.44 22300.74 5438.16 7503.97 14657.59 6960.67 1851.72 1045.58 1682.63 3391.38 6981.49 1837 4219.63 8101.57 2086.41 477.77 6198.92 7651.66 1800.93 2379.09 1837.3 3200.27 3875.78 1272.78 3241.46 4115.69 6325.23 10698.45 7019.69 8383.71 7964.13 5094.47 8752.36 6188.94 13192.47 10245.83 7435.78 6604.25 14618.63 7842.67 12855.26 8906.26 6782.43 9145.24 10822.68 8560.43 5657.98 10155.93 14156.38 4328.79 6999.21 4221.64 10113.88 1377.73 7316.89 6622.06 11345.6 5680.83 3461 8235.95 2481.05 7432.32 8016.31 6031.16 8209.98 4640.21 7992.1 3496.87 7215.51 7880.71 7401.97 7880.01 7489.3 7489.05 7935.3 8259.61 7876.61 6741.51 Asp-Arg-Tyr 5821.85 2174.84 1208.8 1753.15 4464.28 109471.89 40126.02 5733.7 3713.25 4067.78 2081.76 3469.06 1203.46 1790.2 3260.98 3345.52 5132.73 3259.36 2267.58 2218.16 6908.93 682.68 1560.5 2371.26 1293.09 4331.29 1758.54 1991.83 4924.74 723.74 2395.24 34338.28 1024.12 3948.3 4025.33 3566.98 2917.41 3228.54 920.42 3159.33 6111.84 5924.6 2883.6 2042.37 4346.93 5577.9 6113.65 4061.89 6682.09 3582.85 4064.85 2115.19 3090.08 1366.51 10839.41 1518.52 2381.05 2659.7 5714.48 3220.74 1570.19 4410.11 958.07 1899.86 2323.3 2856.75 4133.45 4908.67 4569.88 9113.87 1123.45 4321.1 7042.79 4275.86 3766.84 1740.76 3317.53 1368.48 1219.98 1775.76 1440.98 1326.5 1667.34 1421.94 1595.19 1273.44 1779.24 1390.66 1031.53 1940.38 1438.35 1429.39 1852.4 2059.34 1756.59 1959.93 1330.76 1519.42 1593.61 1381.66 8571.24 7506.56 8422.77 5777.98 8901.63 7568.98 7625.87 8391.13 8426.54 His-Leu-His 51.72 87.21 144.23 8780.92 25002.42 20446.67 13629.28 378.98 113.81 48.04 186.83 332.45 2187.03 50.92 299.99 54.15 73.67 211.79 183.22 111.43 183.18 161.68 212.53 106.42 135.69 140.92 101.35 94.1 91.95 54.17 61.82 272.66 132.78 626.89 460.25 313.76 59.01 204.02 72.88 132.54 7506.56 686.26 233.72 299.21 158.3 2661.66 316.6 230.93 66.91 186.77 477.62 481.72 122.3 414.91 513.74 226.63 536.09 329.63 392.12 1384.92 320.48 297.17 408.72 79.43 270.88 423.48 494.91 157.44 401.56 81.54 385.88 90.29 286.18 280.22 772.45 3115.31 3258.13 3053.81 3083.59 3135.78 3083.47 3083.56 3086.02 3100.06 His-Lys-Gln-Lys 2554.88 3414.7 2252.71 2799.95 3425.82 4390.25 2436.07 2758.22 2558.25 2571.93 2395.76 2116.69 2350.87 3341.08 3774.48 2909 3373.17 3704.07 2869.28 5079.31 3166.61 3245.59 2250.8 2866.08 2300.14 3662.52 2786.28 2206.41 2605.75 2936.07 3025.15 3697.56 3459.45 3537.55 2594.94 3032.31 3474.91 3702.44 1784.06 3640.32 3282.55 3752.09 2707.2 2900.46 2947.93 476.04 3715.9 3165.74 2525.35 3650.37 3121.46 3268.66 2567.28 2946.4 2977.25 2938.87 3508 3032.96 2753.97 3160.52 3041.09 1354.32 3421.27 3077.75 2644.7 2499.95 3066.68 2350.7 2885.25 2926.14 3254.78 3221.35 2827.58 4451.96 3138.01 3342.1 3286.75 3435.16 3345.22 3083.68 3281.62 3362.98 3276.38 3326.21 Val-Pro-Asn 7732.11 5072.61 12097.72 1013.04 8496.1 10062.16 26234.29 19250.31 32671.69 11188.5 15186.07 23920.85 15534.41 12038.74 8037.41 24376.92 15699.85 5451.08 27677.68 13629.78 25440.01 8520.47 5920.91 17012.98 4806.39 2990.82 15308.91 2948.98 9743.37 4934.76 13036.36 23788.38 3620.93 16090.06 13799.8 8882.55 9590.63 1275.56 12655.48 7672.47 28253.44 7116.5 23368.3 12945.69 3201.94 12954.35 18272.39 17165.71 12825.99 31012.69 9477.14 5366.09 16522.49 20714.5 10805.55 13396.93 14320.24 6723.1 13685.13 3171.54 11427.43 8340.52 9220.44 15201.91 15256.53 11248.24 19489.52 14361.83 12144.82 27530.88 7129.91 19001.1 14058.5 22176.27 21885.98 17921.62 18025.93 17460.69 18189.75 17958.4 17625.53 17473.38 15965.06 17700.21 Tyr-Ser-Val-Glu 2732.86 1753.28 1524.3 758.07 1209.86 80384.45 26732.2 3727.38 699.15 1340.58 2460.39 573.91 961.17 3837.67 1555.55 886.17 1461.89 672.68 762.29 2921.61 1319.95 1665.8 324.25 1503.15 934.36 2149.41 2002.02 2505.85 2013.65 1814.31 1226.39 33570.1 624.24 2655.83 1489.16 5147.6 1768.38 1606.42 4351.74 1960.68 6666.82 5232.8 1758.72 2999.42 1976.85 4669.63 918.25 2040.76 3027.45 3734.15 3706.49 743.07 3854.34 4480.39 3364.88 1257.09 1386.08 1201.6 2579.72 1009.91 2433.13 2230.52 698.92 1776.12 1145.04 1533.42 1480.12 4636.35 2848.05 1726.59 2008.22 1180.7 1423.99 2601.63 2903.41 6283.72 6523.66 6846.37 7046.94 6401.35 6485.26 8041.1 6307.87 6822.66 10-nitro-9E-octadecenoic acid 410.47 3385.37 694.08 6907.6 27225.68 11031.53 17719.64 983.96 1574.33 132.9 826.02 536.53 8196.65 596.05 2687.51 2141.14 1685.5 362.56 347.38 489.01 408.99 286.28 206.46 1040.87 841.62 252.42 342.81 415.16 1594.81 298.47 385.26 454.96 551.64 152.35 550.75 480.71 902.05 377.5 883.77 2673.32 8134.76 1426.04 1137.7 1653.75 503.09 6866.09 1378.73 332.72 119.65 1302 353.54 797.4 1346.03 846.34 4816.01 2718.4 2296.55 1527.38 1559.33 2814.12 1561.59 302.05 1651.72 2225.25 4613.7 2280.34 740.5 2190.39 1262.14 1023.15 1408.02 307.14 1080.88 1272.85 886.94 6189.96 5689.79 5525.21 5720.13 5463.81 5309.19 6659.98 5487.61 5678.79 Tyr-Ser-Phe-Val-Phe 2499.63 1854.07 507.3 3511.8 2184.41 1864.62 1984.83 2367.5 1816.81 1676.66 470.47 1943.78 766.14 967.48 2688.59 1171.2 1022.01 1328.11 7595.23 1771.2 1168.1 838.59 1543.94 3843.12 1931.63 646.65 391.23 3095.73 810.93 367.6 395.56 2737.6 15851.74 8783.69 3727.61 2738.69 2254.28 599.57 1503.78 3974.36 426.44 514 4818.81 4343.36 694.71 1164.12 1046.61 6150.49 3779.19 3038.74 1043.41 368.45 5712.08 4327.76 1879.05 1485.36 2591.62 3257.29 2027.48 1052.4 4467.04 4189.25 4126.3 4841.32 3716.12 894.88 1334.96 2529.17 1487.57 4550.7 1523.18 3688.92 1919.97 6488.49 5056.77 3461.83 3347.37 2850.52 3905.7 3270.64 3463.48 3291.02 3468.16 3478.64 Thr-Ser-Leu 1856.16 809.84 963.69 3020.26 4941.58 3122.13 4263.83 4806.43 2434.61 4243.11 3470.96 3744.45 5408.56 4317.5 5739.14 4269.22 2877.86 4285.13 8576.06 5696.21 5463.51 2093.73 3464.36 5384.73 4324.61 11150.4 3915.39 4256.25 5363.36 3143.73 3882.86 5167.45 3238.56 5368.11 4166.55 4167.61 4267.56 2387.05 3386.86 1811.81 5695.24 6072.83 1824.33 3684.54 7210.76 4866.44 5712.5 2895.1 3889.52 8045.66 3794.47 4612.05 2979.3 4099.41 1412.65 2381.33 2479.55 3663.41 3346.24 3040.52 2793.62 3255.5 2421.59 1947.85 2723.34 4746.5 7035.5 3909.51 3376.63 3559.84 3976.06 5098.79 3538.71 4604.5 5022.17 4287.68 4587.59 4670.73 4647.31 4723.47 4583.8 4541.64 5056.42 4713.69 Pro-Ala-Gly 9731.29 11464.16 1754.99 2441.78 16086.87 15695.7 6079.56 20189.15 23219.86 10062.16 5944.54 9978.45 10258.19 4877.25 19803.13 10565.04 6287.89 3230.61 11263.79 35654 13722.11 22467.17 5919.96 6861.38 18589.25 20045.95 6626.85 7849.64 17099.2 5478.58 14970.02 18570.78 18499.72 11453.95 5675.05 14653.27 12982.66 14074.11 4478.89 2772.36 22225.53 21673.17 7783.12 2843.01 17122.88 9920.65 17770.95 9631.69 6239.01 12450.6 12899.72 14365.72 4856.86 6698.01 6953.07 9593.02 2818.59 2512.71 13841.77 8709.36 4148.48 2465.97 9208.01 5850.71 2996.88 13123.07 15753.91 6859.6 5372.23 15558.27 12939.38 10375.08 7420.49 7006.05 7258.8 12529.12 12717.04 12264.06 12273.46 13246.04 12856.89 12208.71 12459.62 12263.38 Gly-Leu-Arg-Val-Phe 673.28 1750.31 3886.41 2203.05 1829.2 880.35 871.16 1040.42 1482.36 1706.49 1467.23 1555.11 1903.66 1978.17 1635.94 1371.61 1416.94 1055.92 1148.47 1467.4 1077.16 2584.97 1375.07 2179.37 1697.98 1477.12 2001.66 2014.01 2305.94 1396.79 844.51 1297.75 806.09 4040.28 1374.65 1833.74 873.63 1861.27 2916.89 5381.56 1126.3 1947.85 2343.69 1596.87 1633.7 5733.62 2092.11 1993.71 4690.96 1234.47 2569.78 1321.41 2294.27 3809.84 618.68 1688.26 1129.19 832.6 1363.01 627.59 1198.06 2086.26 1588.62 3554.67 2648.09 1456.25 849.44 2714.2 1477.48 2615.18 949.24 1612.36 3373.87 3627.57 860.44 4507.45 7116.59 5170.46 5518.11 5098.28 6662.13 5106.6 4361.46 3478.29 4878.66 4022.05 4506.65 5025.57 5317.11 5580.23 3539.56 5531.25 5301.43 5047.11 5320.3 4723.04 4401.7 4573.45 4948.73 4351.87 1478.16 1198.18 1840 1664.77 1494.15 1481.81 1563.17 1585.88 1479.44 Thr-Asn-Tyr 43952.8 42906.09 11254.71 1007.92 39227.9 25925.82 6195.48 63187.86 68279.89 31907.93 31899.44 27847.45 16101.94 23460.86 61745.61 44392.7 27484.05 63985.54 51919.43 87014.97 63051.4 1395.98 15148.83 35977.48 62561.98 58386.59 18083.63 29921.91 60098.53 30299.34 72414.82 53697.5 43099.26 11721.06 21464.93 66751.84 62200.9 37822.34 13954.12 32674.33 77078.95 78266.51 36922.14 19369.5 83004.4 10238.26 86960.75 36055.71 18156.57 50498.65 24618.36 40036.58 13153.88 18574.62 34890.01 45809.68 7889.09 14718.32 65442.53 2667.95 27910.71 2729.89 38848.4 35447.36 26407.4 50794.88 72635.12 24922.86 30297.94 59467.65 47009.52 33992.35 37542.91 23802.98 15256.81 52872.33 47573.9 47638.19 45953.77 46000.63 46230.52 46067.32 46363.74 44808.3 Trp-Pro-Met 3270.65 4433.5 4407.25 2669.88 3363.01 7895.59 1802.56 7243.71 3561.61 6273.03 3997.32 7012.56 3542.38 1508.16 10686.07 1321.16 3654.41 6346.54 8123.69 27652.81 5847.21 3357.84 1966.43 3068.57 14295.35 4748.22 2245.35 7519.59 14978.58 4101.67 56326.58 15573.5 669.55 1344.98 4278.28 23680.94 4216.88 9647.73 6050.6 12128.02 21931.71 4261.15 2632.18 4850.46 41544.44 3749.73 56957.75 5514.12 4353.22 3074.73 10030.44 11102 4858.44 2177.36 7623.64 3994.93 2392.85 2532.04 8194.04 6821.54 4115.97 4955.58 9965.61 2773.09 7858.29 4326.01 2835.82 7865.19 3321.51 7478.68 7112.41 3093.54 15870.3 4953.05 9207.82 5405.76 5759.75 3766.17 5490.28 5908.74 6195.28 5295.15 5369.49 5321.44 N-[1-[4-(5-Chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide 14926.14 10838.29 8589.11 5879.04 1732.83 7129.89 7443.79 19036.05 13358.35 1361.55 4137.61 2538.06 1656.02 4437.15 19673.5 3681.92 5121.29 18054.32 2496.05 7779.38 21584.64 19915.94 6513.22 11727.61 11840.14 10525.87 2450.23 5211.78 19219.56 4537.78 19048.11 12724.27 14423.14 6977.31 6124.99 5807.15 16453.91 20179 6825.75 1791.07 1896.11 8874.57 5885.19 5744.57 5768.09 5763.19 3264.57 8271.7 9202.75 14588.73 7260.51 10513.58 5166.02 4233.35 10552.85 20831.85 12124.3 5860.55 8668.11 15856.42 3006.47 8947.77 11766.71 7988.75 7243.41 13576.88 22053.09 7056.22 3749.55 14914.28 19163.62 13630.66 14875.67 9345.41 11046.35 9511.36 8618.08 8841.47 9224.49 9042.88 3755.7 8663.11 9478.99 8460.89 Tenovin-6 43471.4 17371.2 30708.38 10758.33 8719.22 22024.75 16958.43 1474.79 21340.1 49796.06 15158.14 6110.19 12868.88 23112.02 9483.54 30091.74 33435.14 44161.27 29874.99 21213.6 32012.16 17648.08 22244.87 7948.2 33006.5 9790.92 50585.37 41075.52 19959.95 30603.33 7543.79 13973.2 23899.51 37530.89 18958.78 4612.62 34468.5 22640.36 48506.62 3601.6 2741.17 28124.15 39461.94 2742.97 2930.19 2178.41 22805.84 43035.93 5720.38 1605.25 35347.07 4352.59 38367.98 24824.24 35113.72 13259.52 3521.01 53478.34 52847.49 44378.23 56340.68 10262.53 37022.6 3928.49 19522.14 31889.84 5120.08 22116.48 2876.88 12684.93 35939.97 51132.89 26748.03 13929.19 6085.04 11616.12 18465.57 20903.4 12658.76 13912.26 18007.7 16036.32 11914.58 15695.78 Ser-Val-Leu 1183.4 6217.01 2824.15 1344.73 15249.12 7518.66 3992.05 17232.09 14850.29 6453.52 3204.35 1605.22 5423.73 4602.09 15978.66 6833.61 3088.4 2669.57 4019.59 15248.94 4939.05 5524.14 1033.55 4591.57 16574.84 12817.71 5082.98 5271.03 11364.73 2770.16 1287.67 7003.86 9489.65 5329.77 3222.14 10065.79 8334.72 3485.36 3876.11 5233.67 3152.23 6380.16 8925.48 2315.87 4211.36 2826.52 7615.09 3809.63 5703.69 2007.22 4888.23 2073.49 5450.21 3972.02 8713.47 4497 3472.68 4787.8 8588.23 5210.22 2640.15 547.05 7817.56 6636.46 7336.47 7604.6 2555.01 2327.34 1648.06 8629.17 11838.06 3660.94 3945.46 10433.4 1113.61 6965.42 6978.41 6309.28 6865.23 6964.29 6785.43 6791.81 6966.68 6812.26 JWH 018 2-hydroxyindole metabolite-d9 23212.31 39387.49 114576.61 52042.48 111940.59 180709.51 47273.4 37279.29 17098.54 7611.89 10923.15 26134.7 110900.91 4896.45 66707.05 110421.56 42599.95 55170.72 39252.66 24599.08 38934.79 24407.38 20886.07 42756.44 38704.61 2734.59 20887.81 2825.92 43540.85 4127.53 36366.83 32527.9 3831.92 19987.83 37086.21 29834.01 61801.09 18186.32 17262.04 15458.53 68391.4 75538.59 53631.86 76688.52 46762.63 73773.31 46683.56 45753.9 592.77 33227.04 10776.33 19226.91 21091.98 33821.61 75028.19 58815.11 82191.9 86841.82 34445.79 86643.9 49758.04 39506.89 71140.35 35121.64 32012.86 59381.66 38301.95 25503.29 45940.79 70501.64 63122.8 31662.25 28254.62 36574.99 37004.66 80011 80074.43 74738.66 80057.89 49453.79 74381.73 80200.22 81567.5 80103.14 Arg-Thr-Ser 3430.5 6957.63 11213.29 5634.61 4981.92 5169.49 13552.79 3878.91 2840.3 3716.65 5348.14 9802.85 5404.93 5065.28 2134.26 19371.66 11780.53 4025.06 10283.47 5422.91 4101.07 2869.91 5616.55 1610.11 6874.94 4707.14 9620.74 11174.47 4955.17 11946.22 3962.16 6116.52 3334.15 6305.34 3388.94 4181.18 4775.57 4888.66 6436.61 10084.62 4584.22 5525.68 11261.19 4007.86 4161.68 9284.53 6029.91 7768.11 9469.09 14332.8 1127.37 3595.4 10519.85 15284.91 3452.76 3631.46 3987.5 4600.28 1049.45 2968.46 8118.85 1702.08 3492.93 8210.4 6962.2 4217.78 3935.84 7610.58 3875.5 3449.42 1441.85 2238.87 10762.05 3516.82 9081.38 7461.07 14717.36 7101.01 7308.83 7447.66 7582.66 7521.92 7148.42 7334.94 6958.04 6579.65 7723.47 7182.98 7284.31 7408.98 6522.92 8322.0 7624.34 7525.4 7598.34 8407.52 7960.15 7501.62 7984.92 8147.7 4048.7 3953.22 4332.81 4085.52 3946.44 4457.79 3995.91 4346.67 3955.76 Arg-Arg-Lys 10690.57 5128.2 5526.29 4639.34 6782.65 13565.85 7398.68 7914.48 8175.66 5482.65 4900.32 15613.63 16217.8 6878.57 6707.56 8781.48 4659.97 13068.13 12181.13 16240.65 7820.69 6143.03 5079.62 8377.36 8684.04 1842.69 6602.05 8696.27 12265.74 11292.02 14829.44 20364.16 2712.11 4205.82 4514.43 13929.73 8000.28 7155.58 6257.72 4128.43 35310.44 20242.21 5139.01 4032.56 15957.03 13767.22 9154.11 6117.19 11561 14635.66 12956.56 6018.67 7008.99 10971.94 8316.78 5931.77 1195.34 966.68 5598.84 5546.77 5627.47 1827.15 2268.86 2758.38 4156.59 12876.95 9471.87 8067.98 6414.02 5916.93 4390.21 5417.17 5843.18 1376.37 6080.48 10264.45 10411.18 10266.79 9894.33 10123.02 10119.01 10260.68 10208.8 10116.06 Hydroxyflutamide 70922.26 54063.53 17570.19 22477.55 72190.59 55246.6 39992.82 99176.64 98983.61 52349.39 39399.42 40365.53 15456.02 35581.57 77689.32 53343.16 36655.34 69224.37 49418.92 119253.92 79431.26 27061.59 21016.12 30266.42 76426.23 58329.59 37394.9 43141.13 94750.83 42809.42 86207.96 50685.27 53808.41 23495.12 29243.89 66771.03 84159.12 49948.99 35437.69 46531.13 80785.25 75935.84 32816.33 32374.28 76705.71 27057.42 101916.6 54166.8 40821.21 69839.85 50339.24 45403.23 28013.65 32324.55 56365.38 44669.11 19922.63 19593.8 71005.23 21470.97 26186.75 20881.16 49361.92 38488.9 47890.3 56003.28 77689.69 38435.17 53442.55 78976.87 86338.37 48668.04 61287.73 35804.97 39057.44 57676.23 56369.51 56283.13 56576.09 56573.69 55021.73 56294.01 56280.96 56423.35 Glu-Glu-Leu-Ile-Thr 32474.52 37605.39 27209.65 25829.91 35531.2 45260.12 24797.8 79754.95 107417.05 36716.67 30062.26 22143.7 19470.48 28037.06 40843.61 1130.89 17723.57 36258.37 32528.18 729.7 56867.62 21695.61 18768.74 27290.71 55372.56 46095.04 29524.74 33741.66 47244.98 44708.73 52069.97 40693.84 31289.34 31403.14 39175.04 69212.14 41962.21 77325.23 37399.8 24876.85 54535.8 55014.17 34205.46 23526.72 79887.51 39962.43 59506.99 36708.11 6619.64 36320.2 23074.97 47796.22 31873.08 33471.31 33188.38 36314.82 9249.13 17647.78 57233.09 38984.27 17859.81 7420.72 40523.43 40943.06 39327.76 42498.39 35511.28 30314.3 40576.37 51445.97 88217.53 52742.27 37909.02 35298.05 25496.88 40691 40412.53 40060.7 40408.04 40016.22 40064.35 39027.53 40495.56 40407.39 Met-Val-Ser 24007.21 17935.9 6936.01 5725.35 19740.15 18481.41 3644.51 18761.38 22373.69 23858.72 1132.36 2618.3 6499.76 18398.18 5842.54 4656.42 1115.64 5370.08 20296.96 11007.08 11620.44 179485.27 5805.11 3097.98 23388.31 20278.26 9223.63 1912.03 25629.22 8950.65 6660.67 25429.85 10339.66 2208.85 10871.9 26012.95 23784.35 21759.14 754.07 1856.63 28887.37 11648.8 10015.27 11025.03 18264.22 2886.69 17358.93 4996.31 5043.22 11508.19 18573.94 16922.5 11896.3 1258.23 3598.25 17767.34 1019.82 377.18 25370.18 15160.51 1011.39 6719.93 4575.6 10311.99 1238.54 7533.17 23880.96 13006.1 9455.06 22831.09 12806.45 12143.93 520.56 11907.47 12806.91 16222.89 19502.76 18820.52 19234.35 18900.95 18789.47 20258.24 19426.58 18732.31 Pro-Gln-Glu 28301.92 8600.67 1329.13 453.06 41958.32 20314.5 26556 41517.82 52561.02 13117.34 23379.13 44256.1 6186.03 4122.74 32853.54 39666.98 3814.82 50114.54 30977.17 85925.34 35168.2 6696.11 3298.97 23458.94 36421.46 7928.17 26684.7 25020.66 30746.5 13217.6 38838.92 45661.18 6390.45 3606.95 15210.94 36784.18 38258.34 2743.71 7648.31 13304.08 68442.92 30805.08 7559.72 20050.78 46371.8 19837.88 37243.89 16791.9 15247.58 37101.23 19213.51 16717.02 29338.72 29744.14 23416.67 13955.36 5924.87 3134.35 5205.11 8423.5 16965.77 3425.28 10550.38 1574.64 9947.57 12628.08 19188.62 23416.13 20012.86 8576.12 17819.95 16730.53 23639.81 2649 20377.32 26612.22 25586.96 18362.64 29084.74 25506.46 25154.37 27993.11 26933.15 25734.82 Asp-Lys-Tyr 219.5 179.56 172.4 3139.1 9589 11875.24 6848.34 126.01 78.75 185.5 168.27 221.58 145.99 108.03 77.29 755.48 396.75 217.21 329.03 421.16 246.63 201.25 167.54 191.19 202.58 239.73 238.67 228.79 121.93 172.85 210.84 466.26 367.48 344.65 119.37 190.64 187.15 279.89 137.51 217.33 6990.53 228.75 223.17 214.6 93.27 553.37 181.22 72.55 213.88 306.82 197.52 305.86 268.42 370.6 338.1 366.47 162.24 220.66 306.07 298.41 133.69 319.59 344.36 79.45 90.54 292.2 373.32 379.25 164.56 240.22 77.67 91.38 210.44 325.27 354.65 1817.17 1584.49 1626.45 1670.33 1596.12 1798.27 1772.34 1658.66 1635.98 Asn-Asn-Gln 4892.82 3722.78 6550.14 5413.84 5893.78 2657.48 9538.1 4499.75 5190.79 9559.23 12731.66 13067.87 5837.26 12543.09 6090.76 21386.08 11569.3 2672.71 20109.23 16904.97 6456.1 3973.02 8352.59 13637.09 1482.21 5860.57 14687.88 11161.76 6819.49 6264.99 7998.54 21834.87 5602.46 7774.57 14985.36 9486.64 9829.66 1619.14 1260.8 12596.8 5045.31 8904.45 15882.17 7747.23 7381.23 3003.12 5458.95 14314.17 1473.58 22855.71 5756.64 16936.49 12406.89 8673.66 4675.35 3421.38 3046.51 900.23 6102.47 14943.92 4184.1 5722.25 5369.77 12811.2 11058.06 9483.72 8928.49 10447.79 11118.33 8799.59 6237.79 12133.56 8034.98 11919.23 9831.14 8282.08 8449.6 9036.15 8533.54 8924.68 8408.52 9054.06 8950.85 8925.23 Isoleucylthreonine 3083.03 8716.69 6851.56 10854.45 2642.49 42225.96 12365.88 7754.62 3977.56 8615.72 5235.72 1194.59 747.6 2613 10463.28 32565.8 11265.95 9835.85 37684.45 10550.99 5089.69 2216.4 7540.42 14522.75 2872.36 618.7 6021.57 3412.46 24605.91 866.24 5456.99 720.45 5974.27 15297.97 18878.51 3253.76 5718.54 10577.88 8287.33 17273.48 5072.69 6640.74 17742.23 7991.99 9271.41 12493.54 35259.8 14064.15 13311.52 28695.92 3337.13 9764.8 11850.2 24962.96 2632.07 8460.77 3044.58 3997.08 7851.54 5575.67 8038.17 3409.85 7718.29 18724.36 27554.84 2397.39 6353.24 2319.42 9661.6 6915.66 4516.47 13066.09 14827.83 21100.66 6703.95 10224.59 10092.79 10292.08 10612.83 9612.07 10322.83 10039.55 10013.56 10193 1-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine 2225.73 6967.64 22595.33 29675.09 4850.06 34943.97 13300.18 4600.02 4870.91 6441.06 38803.23 16311.92 1894.67 17364.89 2937.76 13930.41 24581.3 2986.57 1535.95 8671.31 1687.19 1625.38 12618.23 9026.48 891.85 4936.11 2133.23 2353.66 4674.99 1065.12 5423.38 3804.89 9612.92 19433.39 18000.8 4176.95 9809.74 10274.63 6706.37 25718.72 5082.82 2133.92 21363.52 21077.77 15675.04 19981.4 13791.8 18915.79 11992.39 34780.59 5242.17 14028.8 6531.72 10142.3 4714.35 17341.48 13411.3 14568.05 7412.9 15469.46 5970.41 6476.88 9413.3 27916.07 15391.24 8687.66 21553.84 4529.26 8458.57 7623.95 8023.83 24713.17 12292.02 30709.03 14372.46 14566.05 13990.61 14304.29 14309.02 14776.93 13936.65 13718.23 13239.45 14546.25 cis-7-Hexadecenoic Acid methyl ester 17447.31 18403.68 13934.37 18771.19 23388.54 25623.64 14172.45 9934.46 10546.25 6328.28 4700.37 22201.64 66638.95 35221.97 11806.3 18514.12 30118.12 18460.72 18283.51 12805.7 24128.73 13818.06 6797.88 27671.89 11894.71 9969.68 9083.54 8652.19 19937.35 18547.06 17924.38 39366.76 3184.68 6926.79 9722.28 13955.77 10034.09 7247.94 14982.42 7485.07 30390.6 38856.19 11385.11 22870.69 31826.17 18775.67 13872.31 15751.69 13136.34 46024.42 11317.95 15279.78 11898.16 23546.06 25936.88 14977.29 20886.09 13250.63 8795.03 4920.9 70635.36 11133.42 15465.25 8001.22 6159.65 47585.03 38583.79 31121.9 31273.09 9599.59 8574.24 9321.71 8019.53 14906.74 22509.74 18626.16 19347.75 19346.26 19408.59 19145.66 19159.21 19351.45 19183.62 19224.98 Pro-Thr-Val 2513.46 857.35 1788.41 2046.55 1982.15 2848.56 3919.95 3559.13 2289.06 4213.28 4626.61 10991.3 1999.16 5714.27 2075.26 5331.25 2517.35 3032.44 6226.53 15158.44 4657.7 2625.75 1578.71 1131.26 1860.56 4485.46 3209.22 7246.53 3447.68 1217.67 1291.74 6906.28 4035.44 1824.42 1537.57 3384.99 1438.83 1636.03 1844.39 2114.46 4509.28 3007.54 7711.82 2098.17 4313.25 3843.57 1662.57 3092.6 6155.97 7234.49 2631.32 1557.96 1277.51 2936.16 2473.33 2131.58 1828.6 2219.87 1800.27 2106.74 1554.58 3250.02 1097.79 1414.41 1920.09 1936.38 1459.59 4543.02 4117.76 2182.44 1245.47 954.88 4290.37 2120.01 2838.69 2529.67 2505.37 2480.49 2518.96 2542.32 2527.91 2377.08 2523.32 2376.38 Tyr-Gly-His 4180.16 9863.54 5674.45 1983.33 5678.38 20651.43 3162.96 6973.43 10781.32 5086.49 2927.51 2723.01 8271.57 5179.48 6579.06 1461.73 2740.32 15223.81 2880.8 9880.84 10719.64 16956.9 3010.99 3936.07 5830.22 5835.35 3592.94 4645.95 7315.81 4124.48 16611.86 6022.83 5856.29 5658.52 6660.38 14038.39 38656.56 3122.14 2880.99 6371.52 13798.01 7812.4 2956.34 5612.38 2504.66 2636.21 17657.36 4124.49 3501.7 3795.13 9228.05 9439.2 5161.94 1274.15 5380.01 8672.42 3270.11 2855.43 15952.05 9072.13 3735.8 2185.56 2508.7 7906.77 2331.04 1540.48 5155.58 4315.24 3189.5 8884.7 17877.88 6936.43 5383.08 11845 5835.96 8508.58 8533.44 8631.97 9284 5785.34 8602.19 8477.67 8420.82 9115.26 9-OxoODE 8653.87 13414.91 47857.61 61904.54 12384.89 104688.03 16756.82 10989.55 10451.45 17571.62 20343.75 20805.46 48995.97 28890.95 27876.96 135739.85 74599.34 6313.36 17635.17 12016.88 10115.3 840.12 16353.67 3161.55 4377.11 6526.3 25411.84 22795.43 20813.55 6120.63 19331.94 26559.5 14297.36 32178.4 60048.34 10338.4 19256.66 28284.79 24280.47 16929.43 12337.26 13206.33 26476.22 31788.48 15977.21 60667.32 8943.45 11867.71 5331.97 118381.22 20797.2 14425.24 28893.61 79440.6 13900.12 36279.31 55461.99 18611.96 10315.06 67986.08 18540.55 42261.93 23622.05 50929.4 17786.93 40463.15 25935.11 13850.39 31570.16 9688.94 20124.82 9915.17 29367.35 42700.35 51910.61 37381.23 37326.26 37675.55 37596.61 37315.72 37320.06 37664.76 38420.21 36002.25 Gly-Val-Val-Glu-Ile 2945.61 1093.28 4106.1 7526.46 1291.13 1799.78 5741.23 2310.31 2466.43 1632.79 475.66 9808.5 7888.25 1387.46 3692.07 874.23 501.59 4613.32 2959.24 3180.6 13064.55 1740.05 3504.85 1266.47 4168.24 3713.3 2423.39 13845.04 3732.17 1064 5000.23 11836.05 1637.11 12181.64 1626.83 4899.54 585.5 687.26 2453.82 3032.07 25503.08 7774.48 5635.45 1352.3 2579.16 6296.36 1928.33 3642.46 1362.88 1524.95 4804.08 1005.07 3861.26 12953.18 801.61 3286.74 2183.11 2242.2 843.59 15070.23 2597.04 2889.82 4821.68 4701.41 619.72 1786.37 5148.6 10077.52 1430.49 785.39 662.17 721.34 775.16 3850.3 14814.53 3812.79 3777.91 3615.18 3236.31 4315.36 3791.86 3530.82 3484.78 3553.13 Met-Leu-His 7134.13 12541.94 12399.45 954.65 7519.14 5229.7 7164.01 6142.48 9462.91 4993.93 4269.18 2262.29 1632.08 3260.31 9990.5 7914.06 2672.13 4414.41 21429.65 6794.28 3462.58 5840.59 5721.28 2156.89 10430.56 27778.68 1864.26 912.46 4394.23 683.29 2693.47 5795.74 11610.85 5749.22 3062.16 2624.77 2697 22745.4 6658.94 5788.14 8901.26 5204.2 4892.93 4587.44 4229.53 1879.05 9044.95 6666.83 7885.41 9129.11 5592.86 10706.52 6820.84 6841.41 4137.81 12366.41 16107.46 14101.72 5827.52 16212.37 15058.32 10912.9 6738.95 8597.27 7501.51 3283.41 12879.66 4309.47 3239.94 3413.76 14559.57 8672.14 4632.38 29951.01 11386.9 7284.42 7609.45 7817.31 6120.19 7544.37 8275.87 7676.82 7756.2 7822.95 Lys-Gln-Phe 3403.76 6266.72 4648.85 5536.17 4086.68 1928.44 6706.42 17565.22 9363.34 4654.77 5733.17 8078.54 7024.36 8863.97 6418.41 2287.96 3997.69 2178.98 4879.34 8269.02 12785.69 1750.6 4980.4 3722.15 7246.11 4417.72 4249.61 3443.01 6082.27 8431.56 3936.84 4540.68 6170.19 7924.46 3644.97 7894.01 1832 4316.26 3219.1 4884.87 4349.19 5598.06 4445.9 8989.99 12518.55 1997.19 2056.78 5175.28 6786.23 6562.75 11677.38 4846.22 9747.55 10558.95 2081.91 1553.39 2135.94 1687.89 9660.97 4124.15 8308.37 835.6 5496.07 15034.95 5139.5 3498.16 8230.82 7371.49 5104.35 3987.64 7860.71 8030.81 5897.35 1032.8 3901.72 9591.12 16419.18 8752.67 9181.29 9013.67 9082.06 9317.74 9448.27 8740.08 9185.89 7656.11 9069.75 9279.95 9057.22 9116.65 7235.86 11381.62 9263.99 8966.99 9109.07 9062.79 9294.52 9186.19 9792.91 9592.12 5440.26 4518.54 3323.11 4634.19 4739.17 4526.88 4658.85 4360.3 4738.49 His-Met-His 29899.8 29812.72 883.83 5619.06 35858.9 7820.31 4577.09 46369.75 41878.66 20158.6 4709.74 11001.35 823.73 6531.52 32002.42 12066.28 7426.46 11156.44 12258.68 14798.39 46547.37 4321.45 2561.09 10513.5 40895.2 33501.33 4219.11 3109.63 17732.13 5148.96 11365.77 1269.05 19312.1 10730.17 10123.41 15984.13 38744.86 16632.49 6596.32 7651.21 12701.5 34923.19 6188.81 7409.37 18913.13 11317.31 14058.74 8617.28 7956.34 12323.78 25036.06 27205.94 5476.26 4330.93 14297.39 22141.86 5054.75 6296.05 29615.9 359.53 6446.67 7826.12 21633.67 1711.25 2307.94 25369.56 43981.64 8022.22 3686.61 34296.64 23247.99 11510.81 8155.66 11922.66 11047.58 17753.31 18229.27 18228.13 18190.27 18018.36 18025.83 18118.74 18224.87 18224.58 Asn-Tyr-Glu 18461.54 58122.06 767.68 5980.27 24707.19 8250.96 19164.52 11849.93 37157.07 10127.23 6991.33 5716.57 2134.95 6081.09 101347.45 1228.75 8223.47 5488.53 9678.54 1839.56 12758.97 2154.8 1163.5 484.85 32353.55 58485.97 8124.86 6600.8 11840.66 733.64 12296.32 5308.94 67030.93 18630.97 973.36 8669.88 39892.87 27418.84 12999.56 4178.7 2707.75 9283.65 2927.01 9875.66 4385.37 13813.14 5466.58 3690.49 8062.1 11332.97 4218.46 27859.91 10581.86 12422.25 2394.46 53637.78 292.8 7255.08 44045.7 14374.24 1391.79 625.74 31894.97 5397.84 8293.47 12193.77 84467.3 1035.71 2115.61 35886.08 55322.54 4088.3 1567.22 2449.18 295.45 16350.68 16237.81 14458.78 15477.14 17841.71 15412.28 16195.94 9620.23 16228.86 N-linoleoylglycine 13046.32 9671.3 9620.08 12366.44 19320.06 14139.25 12829.93 19171.82 18625.14 17316.69 14859.44 21075.68 17883.13 13412.78 9234.41 15020.68 9503.28 5460.16 18610.8 21296.52 16814.35 9216.82 14885.6 17960.2 12211.12 8634.51 9423.6 11557.27 25664.38 19862.05 21357.3 47863.55 17232.7 23196.05 26402.79 14940.07 8302.75 6366.56 7157.7 7541.14 17857.71 24969.94 10727.36 10066.54 7869.03 9079.56 19772.75 14964.11 19760.1 24826.01 22971.64 10086.04 14530.68 22745.99 10913.25 5786.31 6135.93 5681.78 12553.05 5860.98 7445.09 5319.05 8134.01 15810.18 9640.48 14773.18 16316.21 13692.16 10129.85 11866.26 10371.99 11300.22 11633.28 15662.93 16193.45 14503.85 14366.82 14370.8 14555.27 14375.16 14506.59 14367.85 13991.99 14437.68 His-Leu-Ser-Lys 113493.23 133405 56638.62 95202.49 145062.24 193566.68 120926.28 74047.16 72689.25 45301.67 51279.17 104622.65 102581.3 142410.11 170672.74 75763.56 69090.18 113928.9 81288.44 87384.87 76871.63 107334.23 33875.13 60373.83 55669.09 98592.96 48703.26 35699.11 84151.85 97322.72 143924.41 121481.21 55169.38 77530.08 47038.67 95578.93 73300.06 78622.4 48173.7 60201.22 141881.57 162602.88 80423.79 92560.18 95710.71 334057.96 81092.3 79584.35 68180.49 188251.46 195846.38 253087.07 62258.25 122792.2 96141.86 284362.59 69637.67 75530.4 97977.26 81878.56 40270.15 32440.68 134319.56 37627.67 46884.74 205642.72 223558.61 38226.97 69268.96 86206 64974.8 41523.83 43695.49 107081.4 62949.55 89372.24 91360.73 90678.14 90498.84 90608.85 91642.02 90622.68 91654.28 91346.01 Pro-Pro-Gln 10663.85 9463.65 12001.87 6658.55 10184.49 3150.56 7595.38 10850.67 14565.5 12611.03 11917.01 30683.59 13108.17 22410.99 14540.39 18928.44 12826.34 9024.38 28670.69 38621.28 10782.37 52482.08 14131.45 15521.82 17196.73 9998.51 5324.84 14581.1 24207.32 13764.75 42840.22 27880.88 6753.03 8876.46 16696.9 13906.72 14880.66 11646.15 11450.03 12204.79 28825.07 13996.08 17319.41 9420.27 28434.48 10020.71 24704.54 21253.68 15119.97 26079.37 15087.48 22797.73 13625.44 9099.94 8911.78 9431.55 17515.83 8957.02 9699.94 10316.67 13502.28 11496.39 10752.67 16076.79 20367 14616.49 12015.24 12638.97 18315.07 11579.73 15567.78 13309.73 20557.05 22118.57 22551.39 18140.15 18232.21 19508.66 17455.91 17619.02 18243.61 17429.79 18215.83 17371.34 Gln-Asp-Val 23588.94 11656.06 10530.54 33156.86 80266.78 61210.26 51463.42 30900.9 31372.92 21462.97 16530.14 31383.31 55894.66 20060.32 24757.37 60963.51 17046.65 26216.14 30119.09 29082.28 31433.36 24129.08 13764.92 13434.92 29153.37 25889.65 26667.67 2279.01 40654.26 30314.31 24240.01 57988.33 22822.49 29699.47 24147.03 21315.85 23514.17 18489.17 13115.24 13206.82 34708.05 40339.06 17980.47 12101.89 40607.75 55984.08 24028.84 21090.65 47972.24 57486.74 40568.16 20589.71 19463.32 43475.89 33593.69 19692.24 9717.9 8319 28974.59 37418.75 15478.95 18761.35 26221.59 20414.11 13860.94 48170.72 23917.74 17586.81 15615.75 26332.98 21808.74 23932.49 24698.37 21512.48 34614.12 33435.19 33288.64 32617.57 33265.19 33293.99 30057.21 32571.61 32612.82 32606.42 Tyr-Asn-Glu 22563.73 58705.9 1116.95 1573.51 2076.53 24989.83 12103.84 8180.4 38542.53 29693.34 1080.31 865.88 2914.2 683.42 56415.74 3726.41 3481.48 14621.8 5961.74 126061.81 11675.91 14846.38 298.23 778.24 13439.72 47689.37 6212.34 685.85 2013.99 13855.93 10834.85 8482.54 44327.25 1507.05 1179.09 3990.26 24098.37 28271.99 689.28 606.94 7198.14 23776.77 3609.72 1121.34 1607.19 9183.44 4245.24 5699.37 8366.17 10292.99 2920.55 1350.13 703.8 17987.39 28889.94 49196.01 1239.2 2780.65 69609.01 13420.54 1154.76 1293.86 5987.1 6745.7 5210.86 45452.55 53576.83 2827.24 3740.63 26718.98 91949.53 4951.5 4724.19 4706.14 1427.44 11725.38 11189.62 7738.68 12921.04 16327.63 12301.59 12933.64 11771.06 10664.37 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine 6822.25 3319.35 570.47 17826.07 1358.82 10904.11 5231.83 2800.24 17434.16 921.42 4492.2 20544.07 10677.38 6538.71 421.63 10851.64 3591.13 2079.05 3580.1 8733.57 22978.74 4906.54 3965.18 933.69 5707.75 3766.26 1996.74 14832.07 5590.86 19870.76 543.3 10023.39 5322.05 25608.42 2690.86 1111.83 5239.05 2922.13 1533.99 721.37 49746.39 15065.4 2967.63 3267.9 7995.82 10762.06 1411.56 812.66 3028.44 1564.41 13680.38 1149.58 5842.25 15917.83 1866.58 2001.45 362.9 378.6 1866.11 26878.02 1961.23 1742.23 14742.65 13161.41 601.28 13203.15 16339.25 4519.18 4257.06 4619.03 846.02 7969.39 5604.53 14747.9 39358.24 3258.02 2598.29 3464.51 2099.29 1587.07 2164.79 2565.95 674.62 3754.43 734.95 603.65 1671.51 883.37 960.15 3672.48 4090.16 3685.47 985.44 2771.13 9394.05 7783.82 8157.69 6724.39 7736.88 7855.46 8041.91 7751.35 8408.66 7788.21 methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate 29069.06 13934.64 2948.83 17719.71 43189.34 50133.78 34685.92 28037.02 19772.87 15414.04 11102.31 11292.11 15401.4 12403.91 14844.35 3177.03 851.25 13033.89 19310.66 9282.72 9522.54 14599.71 7394.22 8245.7 26008.07 24238.63 13583.66 14017.59 22303.25 902.45 9363.76 24512.98 12289.97 9418.76 10385.08 36709.18 15804 9388.67 5581.25 8192.34 12449.59 47281.25 6811.76 7498.32 16432.32 20710.77 28668.31 13689.9 17957.33 18030.18 30991.37 16201.35 7141.16 8913.09 18159.97 12467.54 1185.71 854.03 17560 6466.09 4256.4 10864.26 9570.27 3490.77 2413.63 21643.35 11250.25 9880.54 9060 19370 16705.68 12672.22 7192.08 8658.79 13051.7 18569.73 18097.91 17934.19 17425.75 18285.82 18233.35 18275.1 19003.42 18045.2 Gly-Val-Leu 4893.16 10296.73 8321.74 9628.78 26030.32 20235.12 13225.2 31842.07 29682.71 15042.4 8251.75 7740.3 8837.7 11985.75 19707.79 11412.07 7207.97 17825 18160.43 18020.23 8553.72 2496.5 5366.84 6662.19 535.03 17953.48 11543.48 7390.07 20811.26 6109.44 23084.11 43783.86 14099.52 7331.29 11829.15 16024.18 16259.89 13470.06 4882.36 17503.36 21363.43 12512.56 21073.53 2509.15 18523.3 12284.63 12783.24 10391.7 11682.79 23079.46 5779.02 12606.99 16112.85 25257.95 15246.97 11917.38 6756.72 12263.91 14391.13 10734.71 6089.63 5483.92 21918.13 22007.24 16040.78 16779.22 14947.15 4658.73 6510.1 19996.71 23600.22 6505.34 12002.95 27017.61 7098.09 12905.24 13136.42 13075 13136.92 13136.78 12899.04 12879.67 12514.04 12899.33 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine 9359.36 4061.61 475.64 1784.47 6290.08 702.4 2738.09 21152.51 25990.01 6594.95 888.98 10602.22 4954.56 1795.41 841.87 2008.63 2958.3 12557.24 14722.16 13233.95 18874.29 968.41 814.16 2714.43 15236.28 22522.56 3763.94 4033.6 10009.16 9235.14 15395.93 9720.79 10735.31 3575.7 705.28 11066.52 13478.84 3170.1 841.64 4206.49 10561.11 23743.34 3896.14 1539.75 21476.15 5275.28 6772.27 4801.8 4876.93 3559.11 4039.54 4768.59 624.38 1246.41 6435.98 1989.35 1532.17 1536.73 15719.27 975.08 336.9 2589.81 4091.94 1251.03 1001.51 7777.83 13312.26 720.35 1968.08 11225.44 7303.68 3155.15 1346.9 2051.31 4792.37 8369.81 7720 7749.25 7757.5 7735.79 8030.48 8015.37 8084.1 6225.83 2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone 451.46 1997.04 940.14 1272.43 1163.41 1369.83 1233.81 333.03 1033.99 833.84 765.34 707.27 349.38 723.48 1269.25 957.23 1847.41 2513.51 5962.51 5789.32 456.1 533.16 528.48 503.17 683.45 847.69 682.13 471.82 2433.54 1555.74 3419.62 3109.35 822.13 1030.11 785.99 930.21 785 962.98 475.36 1175.91 4359.7 1048.19 747.26 423.77 2797.68 2802.34 2316.81 1489.63 699.39 1346.23 555.59 470.27 296.44 382.31 937.85 665.87 416.02 351.99 790.77 1064.77 503.17 1020.37 645.52 643.04 2148.18 632.67 1526.11 767.25 654.82 641.43 1301.44 1578.23 653.23 772.46 799.63 1614.86 1565.54 1576.29 1559.19 1590.97 1801.47 1567.67 1620.76 1558.39 Ecklonialactone A 5076.56 5530.49 19492.97 27751.76 37184.15 49352.78 4331.68 10379.09 10523.77 7234.9 4838.75 10430.79 24523.16 13183.11 14927.27 33202.78 19015.37 14662.87 12580.71 5011.6 19641.26 5367.49 5756.01 10239.9 14734.94 7306.8 7381.34 8018.65 21188.64 5396.06 12539.94 10724.28 3402.31 8098.05 80262.19 9096.07 9879.11 6706.92 7633.66 12519.68 17337.78 13944.87 16073.73 7021.47 9807.63 11253.86 16007.81 13703.64 4702.04 10627.7 6338.8 7372.77 6228.01 10264.47 11761.26 11712.14 8167.49 8536.6 8065.24 10605.62 8917.91 7873.84 6687.24 16303.29 4335.19 16188.79 13708.71 6408.45 16442.88 18353.62 8552.13 8994.52 7439.26 22252.25 14169.43 11415.47 11414.68 11430.67 11670.68 11434.25 11272.79 11324.48 11676.94 11719.95 2alpha,3beta,12alpha,21,24(R),25-Hexahydroxylanost-8-ene 30151.87 52655.21 1795.82 22890.56 8520.33 10387.75 19712.62 43424.43 38498.28 52297.25 29983.05 30925.18 44237.54 23685.68 46721.16 33963.98 37691.62 29317.08 44180.04 34836.2 28257.51 1219.73 29697.11 28567.08 33415.04 36759.78 40858.17 26630.14 65139.59 13015.81 27595.89 28464.41 43047.17 30524.8 16410.1 31912.18 25436.11 18755.26 26280.7 31540.23 17275.87 37263.92 50434.61 32282.87 52599.72 21339.9 44106.89 46316.89 21600.35 25353.61 16725.23 56348.5 50822.82 76296.83 35965.99 82289.42 19928.15 13537.14 36962.08 20671.71 27567.71 54313.62 36581.25 16113.56 20347.39 38565.48 67295.6 35707.85 28512.93 41047.59 40515.19 8404.45 30868.4 37067.04 49080.6 36319.03 40000.71 38281.51 36173.76 28974.39 36672.31 36901.25 42710.59 34367.94 Gln-Gly-Tyr 853.43 4487.13 4163.09 4039.05 445.83 3203.63 1198.09 6718.67 2006.59 2955.22 3216.54 7773.37 9350.39 4253.28 10676.38 3549.36 308.43 15964.31 12662.14 5279.96 2941.8 11041.41 2274.15 1880.32 332.79 6793.92 3679.73 485.22 5190.75 6137.16 3841.69 10879.06 3424.22 3048.9 2477.47 14020.25 5158.26 12499.71 2484.11 2920.52 13126.82 1593.38 2919.47 4870.98 13320.69 8737.91 10802.27 8782.95 5823.22 9671.47 12735.27 8739.49 3440.11 1411.71 2821.39 833.68 4065.03 1428.4 3601.29 2606.65 6006.78 3050.67 1915.81 3308.98 5946.36 5494.1 15412.37 2084.48 5730.27 2291.57 12484.78 9701.2 1718.96 1511.77 4637.4 7625.86 7556.08 7808.33 6796.56 5946.83 7234.84 4749.84 7203.85 6101.63 RCS-4 N-(4-hydroxypentyl) metabolite 3910.31 1475.98 1405.33 7374.09 9154.94 5437.57 13273.55 2369.79 2409.55 5354.75 10242.86 6565.55 21962.97 2072.04 3415.98 3137.1 7617.3 11744.08 15537.23 5489.71 1963.68 962.3 9912.28 705.16 7159.14 3575.96 13731.72 10330.35 6967.28 4427.49 11017.51 7402.32 2081.53 20574.88 14883.57 1984.27 2248.01 1944.48 11683.39 3579.13 5456.62 4313.66 9745.69 8064.85 5753.33 10107.83 2031.1 12505.77 9999.13 13521.39 8850.5 4027.64 15206.47 17820.04 1219.18 6529.37 8983.2 6874.44 4723.35 3464.84 10708.74 5118.66 1603.33 10213.52 4043.55 5322.31 4327.58 22836.37 9312.15 5654.02 4502.77 8391.48 5134.91 6273.27 13980.4 5372 6220.66 5630.56 6829.65 6540.94 5864.39 6734.42 5442.9 6639.31 Asn-Thr-His 39491.46 15239.11 24000.09 31597.7 23731.72 17575.77 30895.04 28393.34 20058.1 46920.19 22341.84 10959.29 9527.84 30394.83 11473.55 30883.04 28525.02 25702.99 22542.21 16956.36 24043.25 20862.77 15684.12 16546.87 36140.51 23777.12 41006.47 37728.48 20814.84 36408.5 8373.95 10457.52 34346.63 31403.91 29860.31 23557.81 36508.01 25240.86 28929.33 24219.35 20507.08 14091.44 28499.69 20197.08 15601.18 8573.69 22600.45 22926.36 12240.86 7176.89 23695.38 14812.48 33557.3 19781.56 24095.38 17024.52 35678.73 35062.59 47186.1 39236.35 42235.65 13800.74 27750.25 29386.6 10549.44 23502.21 8551.29 17185.47 22063.02 20121.24 25425.95 34395.83 21952.16 14482.74 18909.78 19102.86 19163.44 20646.31 16706.26 19960.36 18027.03 17911.06 17630.78 19267.77 Arg-Lys-Phe 4701.63 22268.31 19108.9 1609.78 8698.53 65496.57 38042.22 19271.08 44688.53 23348.01 34845.85 4562.69 1105.04 32137.97 4478.11 33087.82 2971.86 3330.98 1507.11 4794.74 8019.13 26019.23 3249.61 2113.12 4240.97 2435.81 19110.7 1708.84 52076.92 20021.78 37116.35 70986.35 5636.53 50839.35 24142.58 40309.56 39227.19 12729.78 15479.14 24583.17 25785.33 48610.93 17355.57 10974.51 28668.12 49895.61 40389.88 23365.26 10282.61 96031.41 19185.62 50972.15 21366.35 23269.53 8769.11 17514.33 10809.53 12875.97 1187.73 7634.28 6111.27 20264.47 20140.16 21154.7 30456.25 25639.73 43700 11907.61 15220.17 4688.76 15048.88 28949.24 13813.72 16227.34 18409.75 22245.8 18583.65 15066.11 18926.89 20857.34 19203.36 19309.78 19744.28 18724.31 Ser-Cys-Arg 192.18 392.15 174.75 7908.14 11370.39 8552.73 9431.01 375.63 424.36 108.74 195.89 397.45 3551.55 640.43 518.54 893.94 313.77 349.1 103.99 201.05 188.85 1836.8 542.35 531.73 449.65 362.37 544.45 444.62 920.82 634.44 454.86 384.89 112.51 1803.06 217.88 658.08 375.66 964.1 119.77 164.99 4726.79 545.43 244.7 132.04 286.48 6054.43 445.07 740.91 339.08 352.26 396.95 95.1 315.67 1138.7 2596.96 453.89 150.12 439.94 149.27 647.91 360.16 767.71 142.52 172.05 402.28 1504.2 443.44 364.55 385.88 337.26 498.75 190.45 417.73 217.69 1107.24 2009.4 2362.75 2275.54 2264.41 2400.66 2295.17 2851.81 2352.43 2406.44 Ala-Thr-Met 43267.95 26474.47 22712.5 12277.57 8903.77 9223.59 20705.13 28132.79 50455.32 17004.34 4243.11 9694.89 15456.34 22731.75 42009.35 7445.87 17551.24 37758.75 12792.77 10880.42 55174.5 25526.02 13799.94 10822.08 40754.98 53542.94 23577.11 23200.14 36507.6 12693.5 60239.54 38586.46 15245.42 15206.01 14966.43 31383.77 35634.68 19866.54 7158.23 14852.09 15183.26 24216.68 18755.44 14032.02 22075.2 19011.92 32084.63 15015.47 23693.27 15108.57 22236.42 32044.82 4991.79 10115.56 17803.06 34404.51 15458.2 9606.14 38968.3 7473.94 3880.58 12712.61 25438.07 23708.74 15458.07 42122.33 41129.48 5303.65 30073.33 30971.17 32549.1 30604.45 18837.11 11790.45 4134.41 12902.87 20000.05 17893.68 19663.81 17932.3 18464.31 19600.53 19028.94 19673.74 {4-Amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl}(phenyl)methanone 303.85 980.39 275.2 1233.55 1559.68 3864.26 2696.37 2704.52 523.11 5689.26 724.23 764.26 660.27 3653.42 2496 2844.63 1299.98 2174.99 1967.72 579.03 2442.36 108087.99 723.94 676.2 378.42 1296.21 965.58 173.4 3064.2 764.12 987.43 3587.9 1012.53 467.97 543.49 602.83 411.39 603.8 170.06 980.44 931.28 627.6 2439.29 409.66 3975 643.2 498.1 529.19 119.75 4514.07 1937.04 650.1 2132.67 507 591.3 3080.05 1496.08 238.2 2652.1 986.64 1923.13 4870.29 1650.85 274.79 760.68 2006.88 1040.66 166.72 2273.01 3717.26 806.2 551.34 734.77 733.87 747.68 4923.36 5015.66 4930.47 5039.34 5204.27 4921.33 4925.29 5254.21 4803.48 Glu-Gly-Thr 13812.21 15260.24 1605.76 1588.69 25943.52 14176.09 16812.14 16544.21 44774.08 10336.85 6515.42 6138.25 7256.48 5863.12 13630.55 5270.66 6121.01 17188.37 16788.51 25850.47 17111.44 10414.66 3264.67 5771.11 17613.64 15903.34 6484.53 4747.1 26373.3 5084.97 20208.49 27424.07 7893.77 2472.61 4456.91 10933.37 15504.79 12299.4 3654.86 3563.79 37696.08 4522.21 4345.42 2127.33 30552.02 2017 15723.07 6800.34 9104.74 13712.31 4540.36 12744.01 9255.61 22842.64 10784.76 1188.94 1353.73 9828.61 10910.3 8242.82 5824.54 5616.28 9825.51 3116.21 8195.34 15139.84 20584.39 1926.2 1500.54 10501.9 23893.59 10418.03 2034.31 3572.31 9706.8 8437.55 8524.38 9464.99 9079.29 3020.62 8783.61 9117.51 9296.95 8983.21 Ser-Lys-Gln 17394.31 14047.57 12665.18 12334.21 15779.92 801.18 9792.89 11310.91 15753.95 6587.71 15060.41 23676.86 26938.08 20704.5 14702.28 4599.7 6270.68 48806.65 21924.43 39297.39 11088.84 8418.46 10329.22 12386.2 6795.62 8786.24 12714.19 16440.14 8323.47 10899.18 35085.03 145980.24 2155.47 4942.32 4582.9 17930.29 6455.69 13439.92 12667.55 6004.25 26514.95 32409.68 888.45 10335.21 33519.03 24168.49 9928.65 11653.97 16280.63 28644.49 20086.84 9851.12 13788.59 24369.9 18028.54 14621.7 9790.44 10526.29 9918.68 11462.02 8488.02 10075.49 6006.5 12099.69 9871.55 18575.1 18309.57 13947.83 19080.71 10196.01 3174.84 15406.28 10491.15 4581.35 2731.95 8708.81 13271.62 13709 13515.07 13495.08 12937.26 13496.33 12957.8 13265.61 Gln-Pro-Thr 29410.17 18696.4 1322.14 3577.22 32832.99 60436.09 3874.83 57374.9 23506.5 40259.53 16407.96 2403.64 1652.41 33831.16 51561.19 31231.35 9641.3 101674.22 80272.12 34888.64 51105.05 55478.93 31810.84 21319.39 41947.15 24646.8 2793.82 18954.17 60560.92 21006.19 32884.38 104662.24 63672.89 29473.85 4195.92 57266.42 51058.1 30416 16105.11 12709.42 28048.42 74204.81 32248.32 21710.95 52684.62 2975.3 33977.01 32151.25 61807.95 53791.84 45607.52 55456.47 25009.18 19027.6 32690.87 42088.37 5094.04 11405.57 84300.04 7556.95 16106.94 15681.79 41629.44 33116.24 25247.4 31887.73 17165.11 17174.68 13836.02 49444.41 10889.34 34820.42 39294.94 7566.6 6029.01 38398.95 38268.72 38532.91 38162.13 39641.3 38490.81 38170.15 38165.21 38385.66 JWH 018 4-hydroxyindole metabolite-d9 1952.51 22445.08 12489.78 13020.72 51624.65 42131.2 25774.68 7518.25 2806.78 3498.78 11999.73 13969.06 1978.49 13218.09 20679.74 133274.59 73434.5 14507.41 11417.04 13374.42 22929.95 616.94 8731.51 19681.08 491.46 1140.65 15424.77 1885.19 1903.17 2529.98 15901.34 4951.28 2215.75 8030.4 22946.95 4689.15 9826.78 11000.08 4180.98 17615.23 39562.12 22151.85 16013.78 11098.31 10035.23 18072.22 13628.53 6451.2 16909.09 33804.43 9387.59 13553.92 17986.18 32591.07 22845.66 25178.93 101425.45 27290.54 10945.46 68169.18 32026.14 17045.28 14702.95 30853.19 13250.31 32319.51 19849.97 7455.23 26417.5 12675.08 10931.11 8859.99 31402.52 49898.04 25730.04 20541.39 23121.85 20570.79 20347.49 20548.48 26797.03 21451.58 15751.71 22018.67 His-Phe-Tyr-Asp 2318.47 3066.16 2858.89 1700.28 1311.59 2287.26 5230.69 883.31 4764.98 4441.18 1357.06 1472.87 938.61 1656.68 10399.82 21323.88 1497.89 34084.46 85497.13 10696.03 703.98 11448.79 292.28 387.89 1914.7 44359.47 874.09 354.34 80029.87 21844.31 527.49 12655.62 6998.6 1648.51 1576.2 340.68 11756.42 480.9 3625.58 3668.53 1003.01 391.5 11127.96 3380.49 10158 788.71 34051.16 30367.31 3368.1 3032.04 991.58 725.24 4696.56 1435.85 6633.99 3649.95 946.6 843.97 14692.93 690.55 4045.41 1005.07 2754.88 1884.46 26559.16 9902.8 14632.6 2544.78 605.93 6467.46 7675.33 9073.21 1346.59 1803.66 819.93 5502.31 4519.14 5104.64 2651.35 3858.41 4941.05 4925.05 4174.39 3871.44 Gly-Leu-Arg-Asn-Gln 14242.08 18075.04 7734.73 11098.38 13527.52 25433.98 16103.79 14895.47 21655.67 14257.26 14157.48 2567.78 2763.78 1381.6 17374.5 11774.1 8423.27 22383.14 11976.83 29042.78 12682.29 4615.55 15169.36 11270.92 18874.86 15438.14 11681.89 17178.63 3438.19 5625.61 17013.13 2280.65 11439.48 17362.96 12507.17 4807.61 19121.86 12698.6 13491.19 8185.5 29869.16 21168.27 11333 8968.02 26699.01 10179.08 2695.06 4091.43 4371.18 3927.4 16384.7 13161.9 8850.15 11630.72 10604.6 12864.12 6479.04 5955.18 14405.9 9621.7 8395.75 13906.91 10282.67 6403.56 7496.61 15526.35 18450.69 8594.22 8029.06 13123.29 12943.47 14331.2 10844.87 8933.62 9116.26 13212.81 13365.1 13406.5 13152.96 12937.24 13162.21 13360.78 13874.76 11992.53 Asn-Thr-Gln 1816.72 28978.02 13556.74 14852.01 12584.6 54982.44 8202.26 7604.66 7507.92 6884.89 1079.73 6769.1 2351.24 1981.23 5428.22 2017.05 6103.48 4404.16 6649.96 2970.71 8831.03 37900.77 9005.84 4581.87 12989.22 5095.47 3423.1 3202.36 17444.18 963.83 2677.47 8953.43 20203.28 6530.27 6747.31 3330.49 6956.51 34868.47 6593.78 4911.92 9029.52 8663.99 12562.08 4559.39 5700.99 4514.81 15205.99 13964.17 2540.71 9982.76 8303.03 13110.5 3002.78 5144.12 1365.05 10305.97 6061.91 10145.18 7560.84 30849.25 6921.32 12672.9 9032.8 17586.64 13772.27 4892.61 11424.57 4103.25 5157.55 8255.54 14210.83 27553.69 5772.91 20579 11329.69 10139.62 9820.13 10133.42 10162.39 9854.63 10090.41 10139.49 10070.63 9854.48 Asn-His-Tyr 1396.1 1428.09 417.86 789.18 5097.66 10115.07 4714.21 2376.85 2095.74 2153.25 570.01 1887.43 744.34 3354.71 2291.19 716.69 766.03 1886.96 770.99 2037.01 2362.69 86608.22 885.28 940.89 2368.1 705.53 451.07 1403.07 2076.42 1987.7 2975.64 1919.15 1922.05 1172.87 1107.27 424.35 1500.36 2312.26 969.7 1102.57 2201.85 775.98 708.35 3354.51 1023.32 545.92 653.36 971.05 2388.56 1401.07 2239.66 3944.87 909.24 2395.84 517.69 1045.84 1261.23 631.06 565.44 715.46 1206.66 10313.11 1268.8 806.4 838.25 3714.24 1018.1 1566.72 3135.55 1827.78 1306.2 3486.04 951.67 785.54 1262 2858.13 2587.23 3090.41 3120.1 2891.3 2875.8 3245.64 2543.12 3117.8 Val-Val-Leu 3297.49 6352.82 3284.29 3461.67 12342.61 893.95 1980.88 15904.92 19893.48 7573.96 2619.26 892.28 799.19 1267.78 22300.58 5022.94 2842.86 11499.04 5283.9 15017.62 3096 7005.63 2308.01 3811.67 18214.24 16972.23 5542.74 3465.57 14856.02 1866.41 571.12 3274.06 12252.61 1986.11 4042.52 9542.63 8734.56 905.95 1019.36 9967.38 1406.7 2745.82 14180.61 1174.86 5523.98 1534.98 8222.43 3106.41 1179.95 3716.31 2650.66 2547.36 3888.62 5342.62 8100.61 3646.25 2667.38 6685.48 10437.67 8318.22 1842.11 1921.32 12877.47 14543.12 14668.17 5753.42 1240.71 846.18 642.66 14092.1 20776.64 2501.6 4763.67 13970.14 1331.23 7134.69 6914.17 6939.79 7049.21 6972.45 7009.61 7020.2 6937.76 6940 Pro-Met-His 2856.39 6599.42 2323.95 7529.33 10077.18 5937.77 7536.94 12276.07 10517.58 5249.47 2951.63 5675.73 1042.55 2946.36 4537.09 3026.64 2869.7 3304.65 5918.33 16638.53 5006.61 1577.62 4027.88 7406.2 822.49 16032.27 5350.69 6298.85 10191.94 7030.97 5652.76 2650.6 6307.31 6557.23 9493.29 4956.81 4145.47 3378.29 4530.2 9012.52 3211.94 3443.66 10774.89 4940.8 2914.22 11504.22 4795.96 2348.41 3862.38 6649.21 4624.24 5502.26 4000.74 9607.73 2273.07 2931.84 6400.91 5386.81 775.96 19760.33 4985.37 543.71 3028.97 11629.15 10812.35 9172.27 926.44 6940.28 1274.29 10764.02 12940.43 9747.41 5682.18 3136.88 6688.08 7389.25 7797.26 7721.84 8038.56 7664.25 7262.23 7559.58 7668.17 6293.79 9-Oxooctadeca-10,12,15-trienoic acid 197.62 367.53 418.18 54062.86 87013.7 139759.73 186078.73 888.84 1837.63 2445.65 916.19 2901.86 33283.2 837.75 1936.84 10879.96 4059.44 1948.39 460.67 352.43 1727.58 725.26 3042.76 802.54 573.12 233.03 2021.72 581.33 774.59 1366.64 2166.57 2886.71 407.82 9161.51 19370.85 936.51 651.56 8317.66 5187.44 3381.75 56756.52 8720.83 2560.98 3682.87 3093.37 44880.9 1621.05 1095.99 1530.11 5636.84 5982.75 2402.44 3649.99 9636.85 7015.32 2770.03 4406.55 2908.13 1706.57 10865.2 1998.27 5286.41 3143.49 2966.7 1201.57 5090.37 3056.68 2227.22 1915.13 336.39 1898.09 1801.28 1893.95 3990.56 7937.5 22180.59 22190.25 22457.23 21485.33 22449.86 22186.63 22179.78 22473.54 22621.51 Phe-His-Phe 7714.58 9631.09 565.32 2910.52 16702.82 6075.9 7975.85 13451.99 16646.2 11748.71 3173.61 8539.21 3182.91 907.07 12135.02 2898.75 2252.49 6416.88 2379.08 24192.23 12688.43 7146.77 2619.34 3444.85 13708.91 9320.72 2655.72 4561.76 3424.93 554.02 19500.65 6903.02 3991.52 1472.92 506.43 3239.51 13024.92 3461.83 1433.44 3210.62 11570.37 13096.43 848.5 774.45 21977.35 906.28 2761.32 2167.95 1932.58 2187.22 862.94 471.83 761.1 4000.67 10765.79 6558.17 1734.55 1453.15 12162.18 787.2 994.15 1655.98 8457.8 882.97 365.62 5859.82 18588.9 728.93 1787.06 12333.05 1907.23 4513.78 9364.3 3147.96 1698.42 5369.57 6241.34 3941.73 5228.23 4998.27 5517.44 4479.16 2154.18 5230.7 2-Ethoxycarbonyl-2-hydroxy-5,7-dimethoxyisoflavanone 1078.79 10627.73 484.76 651.23 3273.31 1268.1 6067.82 6430.33 8368.11 4464.1 747.27 11946.6 2008.02 11144.44 3319.7 883.91 10006.82 824.43 13989.37 1004.48 925.85 11901.28 383.34 534.21 5425.94 1312.89 3284.15 3158.21 884.54 6111.4 1781.21 2923.39 2955.58 2363.76 1561.98 6652.94 6616.33 568.25 5884.56 2007.92 6723.36 7773.27 1054.6 4477.49 3849.37 5583.69 4002.35 7388.17 7169.76 9577.79 3739.32 1706.8 5875.85 5576.91 1318.31 3860.71 634.35 1903.94 3361.84 634.48 4074.64 2045.88 1905.96 2844.88 417.1 5840.75 4584.87 7556.76 9017.54 3296.08 1821.34 3569.81 6304.49 3958.69 1942.27 5261.22 5321.95 5239.66 5225.57 4388.18 5016.65 5013.34 5248.26 5022.1 Asn-Lys-Asp 3541.47 2974.77 2023.38 528.04 1307.46 5320.25 3151.93 3705.44 3566.21 6248.12 10562.01 14037.71 1226.06 10202.56 2098.37 3572.74 7851.57 2326.87 3916.25 4423.7 10095.3 3033.35 7550.46 1317.42 758.8 2079.94 3519.68 3737.74 847.1 1724.72 3718.54 1187.34 2491.19 4287.8 11187.1 6731.84 7140.53 3770.71 11888.08 11326.06 3519.37 2612.49 14279.66 11050.47 2663.8 1875.48 8584.62 9225.91 6523.95 17038.94 1950.99 3039.22 10452.95 11914.77 6689.99 4805.87 7714.49 6659.06 5883.65 7418.33 9945.1 7894.52 4902.38 13199.84 10574.23 6713.86 7361.1 11527.03 10756.2 6994.69 2063.13 15810.66 11993.65 10205.72 12689.34 11511.52 11472.4 10840.58 11103.86 11501.95 10874.49 11352.94 11127.82 11473.37 (1S,2R,4aR,6aS,6bR,12aS,12bR,14bR)-1,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,14b-hexadecahydropicen-13(2H)-one 1151.2 866.85 4858.41 11475.11 8748.58 5298.1 3356.27 3378.5 3764.04 6330.92 7898.88 15356.77 25994.57 14035.12 12035.34 10540.59 1343.24 2274.35 14936.41 10982.62 16230.01 4403.31 8202.67 12309.02 11462.2 9064.32 9540.09 10998.1 9022.09 14924.66 11861.25 34128.84 5209.88 21743.02 10696.88 13764.14 7501.85 9792.22 11464.97 20504.12 6576.71 20068.84 12783.12 10573.82 4715.73 24513.36 10119.82 24301.94 16155.21 36949.95 10781.47 9287.75 15206.92 29498.54 2000.18 13372.23 8304.27 14740.37 4890.83 8893.48 11028.14 13174.75 10171.08 10230.68 10897.33 16435.31 21885.69 21438.99 14829.96 4629.92 5091 9715.94 24506.04 18112.62 14685.22 3502.25 2913.95 4691.1 1389.19 3682.84 2958.92 2999.65 1749.07 3171.42 3009.13 1779.37 2262.37 3122.53 4225.91 2935.52 2666.07 5189.35 4482.18 2663.21 4889.36 2965.5 3434.12 3139.96 10206.32 3249.61 14838.23 15209.06 15879.41 14914.61 15212.97 15178.75 14896.26 15199.04 15129.4 Arachidonoyl m-Nitroaniline 47477.89 36493.34 1761.19 15339.13 7911.42 13580.75 18909.81 15106.64 7766.67 6676.91 15574.84 16137.07 27536.37 17720.99 40974.3 5256.01 2855.5 35590.37 1254.12 33910.75 3919.96 10242.95 10692.36 7428.25 32976.63 23591.95 14986.17 14315.36 2554.31 12682.56 22878.87 23725.11 856.7 9222.37 7386.22 24275.51 24016.55 4306.53 2062.99 14298.18 14110.36 41303.31 22069.11 28078.32 19688.29 10886.92 31021.97 18395.74 3708.79 16126.94 36908.14 24190.82 22952.11 14779.14 29166.31 28043.77 20741.14 14202.55 15580.58 15644.01 18935.95 7589.73 36298 13754.13 12886.94 33995.45 21039.84 16555.71 20564.58 15355.52 12122.79 5731.5 21227.9 24991.02 15849.45 20143.53 21294.65 20142.59 19843.02 19750.35 20157.37 19750.97 19760.65 18577.38 Ala-Pro-Trp 20716.18 12977.27 3439.02 3954.5 18016.64 3492.63 8415.26 30479.68 30437.43 16433.26 10429.86 11337.16 12168.52 10613.36 21371.35 2622.11 2379.6 10957.46 7725.62 13526.45 26353.62 3144.76 4551.41 8701.83 21656.55 26539.74 2803.33 6572.06 21429.74 5706.64 14167.19 6693.24 12623.47 3358.42 8792.91 19319.22 24531.98 12840.56 2678.81 9952.72 4686.33 29886.24 7521.89 2949.58 13992.04 6282.76 22884.81 10445.91 8801.16 14450.59 17201.16 18001.67 8086.45 8907.52 11721.75 12459.49 2767.57 1149.35 19262.75 7414.16 1606.51 5528.88 8830.45 2625.13 3851.71 24557.49 22849.07 6863.27 10732.03 14036.04 19986.26 5533.08 6340.54 469.8 6531.71 8507.13 11733.11 6630.41 7273.86 8972.85 7574.87 7329.85 6768.39 7463.78 7436.78 7820.04 7685.38 7138.08 7450.91 9641.4 7958.27 9857.82 7123.92 7302.0 6957.48 7443.22 6924.45 6640.09 7384.76 7055.88 11301.67 12442.52 11221.67 11121.91 11573.55 11134.41 9438.86 11688.98 11710.73 His-Leu-Ile-Arg 9441.26 23112.15 22690.57 25317.64 5187.93 3397.84 13625.19 4848.72 1731.71 1616.95 7559.85 3295.87 6653.45 3333.86 5829.77 4130.2 2557.65 4775.11 5763.53 3192.01 7532.99 6314.26 4952.97 22052.06 12676.12 5649.61 3911.16 13705.53 21132.57 7209.46 20296.74 5264.99 3731 12689.45 19492.14 33290.33 8764.77 15945.36 13700.11 20853.96 14123.06 17119.59 15542.5 12673.78 10450.75 13508.16 16154.5 8214.65 4028.23 9191.26 3794.98 6802.44 4850.92 1804 5660.34 5383.57 1864.96 4215.13 6571.01 2182.19 5291.41 5610.45 4789.57 3208.94 4624.22 3452 4974.31 5103.06 5199.89 8560.48 5099.09 6327.82 2106.32 48894.19 1655.53 3541.79 3625.68 3475.47 3513.35 4080.1 3728.67 3478.9 3543.65 3780.25 Glu-Glu-Phe-Leu-Val 22796.17 47600.16 24016.74 15842.94 4440.15 79643.86 21445.24 1505.99 25335.18 38856.66 12208.65 7109.54 15104.36 2284.59 7491.12 3660.68 6357.66 14726.19 1852.53 56315.77 22142.25 20140.23 9183.86 13603.39 20508.34 48244.58 10164.62 5258.13 25243.35 1010.09 3193.37 18370.16 18847.41 29025.48 20111.36 2239.04 23432.59 61402.01 4450.59 695.86 3056.84 62285.2 15592.34 5826.14 22334.5 4213.92 4852.32 13933.2 6166.91 9236.3 42951.55 53806.51 11570.51 6494.16 20480.23 63173.47 17019.13 13675.33 58772.51 35394.41 5672.1 23545.66 32892.51 25786.21 13551.55 39814.9 94333.27 895.3 987.17 26800.44 42266.53 11917.79 5042.6 18712.98 1520.86 17108.06 19424.66 21273.05 19526.92 19675.84 20243.82 19712.37 19687.33 20644.57 Antanapeptin C 15271.27 20666.32 11634.1 19779.81 22302.29 23041.4 12265.85 8881.19 10336.62 11732.86 8954.82 16687.4 25968.42 20552.11 13795.31 16491.93 12639.11 17936.96 18504.94 16815.37 15347.41 13977.32 13946.83 8711.8 12025.31 23245.06 10690.42 14046.26 21462.05 25053.12 20153.62 26010.79 16410.68 20872.51 13871.41 19558.98 15330.27 26473.47 12796.02 13596.1 21271.41 22031.26 10763.44 11115.72 18253.81 8252.44 15348.77 13290.85 16816.98 26412.52 18152.46 18508.48 12245.47 16465.29 11491.44 14997.61 10634.72 7250.23 8673.75 9803.48 9266.85 8708.55 10781.21 10056.46 7901.72 14538.44 18761.31 9723.4 9484.09 9636.28 11155.74 8967.72 5394.41 17658.9 15782.42 1972.19 6037.79 2664.04 1560.7 1682.18 1492.6 2524.36 1072.51 1864.05 1886.68 3801.91 1610.24 2436.62 2261.23 1243.76 1948.43 2525.64 2919.88 1463.88 2052.89 2567.03 1522.92 2018.78 1886.34 3132.33 15434.03 15725.06 15805.28 15776.08 15611.49 15599.93 15719.28 15806.43 15688.42 N-(Cyclopropylmethyl)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpent-1-EN-1-YL)cyclopentyl]hept-5-enamide 4596.71 4451.73 5767.03 5039.81 8492.39 2323.35 10079.54 6446.62 5392.01 5060.8 6619.77 12528.07 10667.9 7255.7 5676.96 11380.69 6690.27 4211.85 12751.78 6912.79 6760.26 4793.97 6501.91 7424.82 6454.64 5424.83 6999.5 8873.41 5900.07 7979.62 4575.73 12260.35 4406.24 8984.84 7212.92 4834.43 4855.38 2646.14 7359.94 6149.82 8080.37 7418.41 8575.66 4772.83 5584.58 8509.98 6375.86 8890.76 7994.25 15960.43 4723.67 4305.62 7994.65 10696.6 3521.31 4500.9 4996.58 3346.19 4890.36 4199.53 4445.96 6040.86 4216.25 7639.75 5761.56 5774.59 5522.45 8128.03 7514 5177.93 3761.38 7198.91 6977.51 7189.13 10675.32 6367.62 8406.2 7492.51 6673.76 5480.35 5747.2 5011.53 9890.11 5758.72 1464.48 1647.19 5373.9 2898.87 7871.59 867.36 3444.29 1852.06 11213.62 4384.83 2608.14 6192.45 2140.44 3496.82 5794.85 11842.47 7137.29 7134.8 7342.87 7127.08 7235.33 7134.49 6586.38 7141.3 7280.37 Arg-Thr-Ala 4135.76 9574.98 8684.75 9475.7 1454.68 5915.06 19913.43 21339.27 8727.88 9925.2 15371.67 10049.82 6924.88 9822.35 4858.44 10785.97 8175.56 4298.46 10520.47 10015.52 15622.72 9648.66 4673.64 9376.87 8152.56 12210.74 12076.75 8391.28 3641.15 7860.3 7862.84 6887.23 8034.92 10253.56 12157.82 11856.7 9648.22 9132.72 7761.09 9877.97 8030.71 1405.12 10286.38 9352.9 5255.51 6599.76 10210.76 12276.49 13491.15 5901.78 6873.13 3417.05 8300.82 8238.15 15902.79 10346.51 8433.58 10247.58 6912.7 12708.7 12104.6 9512.27 6053.02 12609.67 11480.48 11661.39 4293.1 11918.04 13066.47 9784.74 4396.96 8436.37 11452.38 11066.31 9336.51 9400.55 17029.27 8335.42 9669.96 8473.04 14180.32 9284.77 11149.31 7108.05 8030.44 7876.56 7727.86 10898.03 11582.92 9248.35 15415.15 17122.34 12834.96 11523.65 10561.9 16503.14 11845.75 13093.36 15810.81 16406.9 10888.09 10913.37 10853.56 10871.59 10223.33 10920.9 10228.86 10549.12 10872.86 Tyr-Thr-Arg-Arg 2773.78 13558.65 1174.72 2514.81 3475.86 3698.92 2124.17 4380.99 13384.65 8115.14 4832.27 3109.69 2015.44 2935.81 4365.16 566.25 2009.94 2904.87 2567.86 2177.71 14523.1 897.1 595.01 1945.46 631.85 6105.2 2643.21 4707.03 5553.21 582.09 6820.49 1335.52 2524.04 2786.01 575.46 2485.84 10279.92 6222.84 961.88 854.78 7364.61 14063.03 6397.79 7103.57 22988.58 4492.12 5359.55 4558.89 10830.39 13906.38 6392.22 14024.55 10052.7 641.82 8790.03 5311.64 3266.46 485.13 5919.5 3293.48 3464.93 3123.86 12854.23 3769.9 1668.53 6507.02 18385.87 1224.54 3754.77 3526.44 2745.53 9587.82 6676.72 4950.22 506.36 4090.52 4152.29 4469.03 4196.92 4452.95 4187.41 4875.27 4493.6 3428.09 Caylin-2 6344.1 250.16 118.83 3086.63 231.05 137624.01 8586.16 424.57 13631.17 28382.59 4498.35 132.01 537.78 273.34 2659.59 977.15 102.14 4212.54 9231.54 2083.68 4851.65 32204.17 653.13 121.13 427.93 40758.06 6861.94 111.36 283.67 116.12 606.75 12101.44 15094.54 4945.37 363.25 8912.97 308 44907.39 541.3 169.61 522.06 1434.84 112.8 155.26 8116.24 3022.75 858.58 314.01 228.59 665.44 7099.06 1162.25 6222.94 4398.38 4825.67 376.35 138.95 295.27 8700.8 105793.43 282.11 669.79 1235.92 9469.34 307.5 4154.1 4149.92 176.2 1431.88 665.34 4110.3 18676.08 135.27 186.39 102.4 9086.77 9086.59 9088.17 8981.01 9022.61 9022.19 9089.14 9055.69 9024.19 Leukotriene D4 methyl ester 28097 35417.87 30027.97 28932.11 2361.77 45093.68 44888.9 40477.26 11261.6 19782.2 82279.29 7064.27 40065.8 51839.3 11369.85 4033.65 37499.78 11977.57 16163.94 11824.31 15212.79 36270.6 20361.98 6206.02 6933.98 40574.09 6212.44 3132.22 16601.76 40765.64 9575.09 9292.91 2332.84 37323.56 53254.81 32137.51 16147.83 57769.93 23747.76 40643.98 53360.95 135819.59 29145.75 36662.83 43016.39 42149.59 10946.17 36600.15 41890.01 88878.41 87643.21 43070.43 47190.53 51081.71 27251.07 43431.94 32119.74 39042.44 23474.57 32361.04 23878.71 15904.36 37212.56 13866.81 16953.77 43606.64 177895.55 32394.76 44387.6 22556.15 34363.48 20562.1 55068.84 41459.63 56414.86 9047.3 7384.89 8538.77 8876.42 9529.45 8986.28 8244.69 6786.47 9781.71 7677.41 7255.42 7942.29 8829.17 7428.34 8537.15 6811.5 8115.09 8666.47 8404.53 8270.64 8014.07 7947.7 6861.85 9592.04 7933.58 37639.58 38140.79 34499.42 38123.63 36982.37 36947.59 36843.26 38158.04 36925.93 Arg-Cys-Gln 16858.65 17007.46 7182.97 677.26 18311.2 23461.79 9552.29 19360.51 22479.76 10567 5686.4 5176.01 6008.72 1834.43 16157.49 945.89 7462.65 5507.79 3912.17 13676.5 22874.29 5741.99 3535.49 5980.86 23383.45 20807.69 2989.9 1565.91 7735.13 2504.09 13786.76 3365.98 11035.72 7162.46 4756.76 2092.98 18723.82 11845.11 2437.18 1704.57 12417.35 15558.45 3400.5 3821.23 5848 3249.34 4757.79 5927.28 1619.17 6599.41 12636.94 13436.88 5356.45 3311.11 10931.59 15738.76 4198.61 2622.87 17704.42 10492.6 4030.26 4039.64 2527.78 5706.05 2160.59 7909.59 15891.11 5277.05 3107.09 18775.85 15859.01 8764.58 5785.68 5763.43 1794 11395.8 9911.3 10172.2 9502.9 9657.26 10389.46 2588.56 9332.78 10474.98 His-Lys-His 12028.73 4369.02 11426.52 3876.21 9168.1 3767.79 17481.92 35141.03 10895.74 8163.56 38761.64 4938.27 16616.77 12262.7 16198.08 16834.06 13541.91 9195.13 5614.55 12699.85 14993.03 11048.97 11604.88 1758.44 2575.66 8475.02 13259.98 10573.7 14717.44 11905.25 2965.31 9539.29 12907.62 12259.59 16130.79 11449.8 12990.15 11819.81 12287.74 12127.89 9023.2 11126.19 12093.62 13142.74 12612.81 11120.36 11316.87 8328.83 11453.22 9686 11127.64 11043.62 9907.52 13312.67 17247.03 9592.34 11722.15 12143.8 11783.57 11987.15 13228.4 19937.48 10258.31 9721.64 10248.18 12444.77 8505.35 11496.01 10094.04 10928.27 8658.88 11163.98 9156.81 15237.94 13766.99 11678.76 10053.13 10047.16 9656.66 8751.46 10179.03 9561.94 10204.43 9521.34 Bumetrizole 4345.13 5993.99 12707.1 11585.92 1361.59 6633.34 4851.45 4431.25 2191.44 2481.42 9223.95 15264.32 10486.02 12391.12 3858.69 20405.27 14109.97 2231.04 15811.59 8549.43 6777.49 2811.37 4030.61 9667.58 6639.73 10532.72 9758.87 10385.32 7866.3 5340.98 6938.79 18074.01 1114.11 5353.47 13512.62 1168.87 2673.25 1887.45 8610.81 7021.35 2549.83 7137.03 18651.49 11971.48 4817.51 5065.08 3531.25 12901.43 2913.53 21478.23 1270.26 3089.32 11131.15 15276.93 1075.17 7274.01 10362.51 8396.2 2473.97 7930.89 8667.35 7233.73 4575.26 16821.91 11629.46 2947.75 7332.61 15469.28 17435.51 3299.32 6887.54 14355.7 17981.31 18341.66 15725.63 7651.59 8459.5 6345.34 7472.44 7330.97 7074.88 7465.94 7619 7676.53 Trp-Pro-His 3385.7 2665.01 739.04 329.47 545.53 27076.83 7933.94 999.35 1652.3 11270.93 331.3 422.83 579.94 564.43 6029.69 652.51 529.77 445.73 659.42 602.75 763.82 19390.96 373.62 596.59 1513.91 4636.57 462.96 581.01 992.37 559.28 1278.65 5118.14 1578.93 1709.03 498.73 814.26 1314.65 9993.89 1081.42 294.78 1236.15 1180.88 360.56 744.72 434.76 530.22 394.02 306.24 343.71 594.25 1293.74 804.61 991.37 454.98 1124.85 2751.83 571.32 179.91 809.76 8762.72 581.64 493.27 830.93 1288.35 473.18 496.36 1221 478.05 834.34 2147.95 416.19 6716.94 558.16 2139.13 893.75 2873.36 2699.93 2905.21 2744.51 2891.42 3134.76 2736.9 2435.13 2841.25 Tyr-Phe-Asn 13504 21752.56 11906.58 36694.75 18290.26 7832.18 19173.09 19824.88 13035.94 16062.54 13082.15 16953.38 113357.02 24759.78 18901.07 19228.44 18979.98 11044.83 23512.11 4190.48 15045.83 10363.32 14552.39 16874.79 21786.24 19820.36 21920.67 25425.16 22963.55 12945.52 7267.56 45389.21 11053.57 22724.12 17427.74 25540.89 3649.14 19638.62 15756.87 16113.38 6174.25 35830.5 21231.18 15206.64 13458.06 72553.18 8149.51 20191.77 9462.12 39460.35 14199.3 22307.23 20904.61 44458.58 29038.25 20875.79 10710.38 9276.52 11535.13 8437.27 9474.4 15828.61 14163.02 13703.75 10544.3 27813.39 3684.03 18604.3 17463.97 14639.39 19364.15 25131.85 14661.19 17333.73 30516.11 17724.27 17667.82 17651.39 11876.32 18447.01 17690.03 18420.09 18016.69 18404.55 Isoleucylisoleucine 9438.98 7507.72 2274.42 5378.99 11151.18 9034.24 9998 16060.74 15027.66 7561.69 5361.27 8983.93 5066.73 8755.87 19040.1 8917.85 4290.06 6071.05 5982.04 25243.44 4668.97 1791.93 2914.73 3973.87 11096.07 11789.91 2991.31 4392.14 10621.23 3005.73 16808.23 11490.89 9459.45 5572.62 6680.49 7425.52 15163.74 4821.17 3945.47 3604.52 24784.22 18781.66 6282.52 2715.16 12598.78 9885.98 7301.58 1387.77 7152.31 10954.1 9767.84 6597.41 4160.96 9438.13 6661.16 11186.23 4386.47 909.83 12486.88 1346.49 4402.8 3714.16 16219.4 5760.86 7762.82 11977.41 17105.09 2779.15 3231.74 14959.9 15606.58 9490.36 5907.31 3812.02 6392.33 7457.56 7878.84 7936.64 8330.3 6825.13 7955.77 5423.46 7914.94 8021.08 Methiothepin 11683.36 11462.37 8299.07 11229.54 39057.29 4270.65 11630.1 7331.55 9176.35 13827 4193.26 8214.3 10989.51 12645.99 8790.07 32486.24 10885.21 23778.74 23541.77 20077.54 16870.89 7173.52 6772.73 5713.92 12017.77 6271.36 12921.95 9153.74 12683.88 21816.62 14052.35 24316.86 10289.85 28915.76 9249.08 9155.05 12630.47 7792.21 9159.99 8357.15 26443.23 21623.41 12451.38 5392.13 19468.94 13421.99 16349.46 14094.57 9060.78 2548.06 9914.22 8735.61 12975.08 17020.44 13396.02 15327.44 15819.95 13062.42 14683.85 14737.39 11942.29 8877.41 12089.73 11433.46 5083.17 16155.5 3156.9 10339.56 9132 8364.46 8887.96 11851.19 5275.59 13693.99 18500.66 13815.27 14039.84 16272.75 12154.53 14875.82 14943.97 14823.99 13805.5 15090.03 Glu-Ala-Phe-Arg-Val 26474.21 992.35 27399.44 17792.01 6400.7 19932.08 1981.27 45904.24 37214.22 43009.37 4332.98 24900.76 20160 62543.04 44745.3 23541.22 18781.27 98757.35 42873.34 1537.62 43387.83 35979.79 29735.68 35997.9 70418.7 30768.76 30313.34 30426.83 50481.48 35603.26 32642.18 3317.82 29488.26 21113.84 3018.65 63234.81 50447.09 3039.75 23585.97 17140.4 21611.03 38023.11 40291.31 26155.94 58816.96 16799.32 33137.86 15928.8 27517.54 10144.8 64863.43 38741.27 22299.33 15148.37 49707.1 31588.4 20011.51 5346.46 53089.77 10365.88 5482.28 3087.38 24894.98 25968.53 29234.48 31482.66 4694.1 27389.09 23132.43 52351.68 5347.06 35660.15 6144.12 13355.45 19417.55 3013.42 14941.45 13983.39 13150.37 15903.45 14683.14 13788.75 14027 15829.19 Met-Lys-Ser 7203.2 9236.29 5547.34 4885.85 5074.42 10646.43 1041.14 7351.27 5379.43 8371.04 7085.95 4034.72 5142.78 5537.62 5306.87 1918.39 5666.47 5941.15 3993.78 5559.05 7239.55 5967.03 5932.8 6712.97 7256.25 8904.5 9622.46 8927.24 6707.43 8992.09 5829.86 4453.14 6546.18 8344.66 5463.22 7040.73 7754.25 11968.43 11280.48 7675.27 4394.68 5267.92 5208.09 5475.42 5594.97 1647.34 4898.62 5693.14 4756.52 3913.09 7531.07 5087.13 5608.7 4372.15 5929.44 4425.36 2943.11 4499.74 6212.43 4230.8 4430.08 6691.55 5077.94 4851.32 6288.46 4802.41 6258.5 5550.56 6530.05 4051.13 5951.02 7612.27 5867.97 3945.81 3301.62 3396.6 3653.83 3749.33 3648.48 3832.8 3641.88 3708.01 3696.33 3729.39 Gly-Leu-Asp-Val-Trp 66197.75 24196.7 19829.76 1870.87 33751.49 1207.78 15332.45 14336.94 21315.41 41627.37 28576.38 28335.38 20486.65 31307.09 2948.31 26611.37 18378.73 1317.79 25017.36 27787.08 22534.04 22551.31 25422.75 31343.17 31039.87 29251.84 37690.33 36881.9 2943.65 797.62 1246.05 2949.9 829.87 49908.17 43156.49 15053.12 27698.62 42392.55 30017.45 35637.92 15512.15 55971.46 59267.27 56877.9 33530.83 29274.05 15865.79 8772.36 33438.74 30460 85700.62 25993 32007.97 41900.18 42506.79 31754.83 5146.26 25270.5 8317.5 16911.08 36683.69 33401.34 54838.88 23074.72 11788.43 55166.31 68319 71482.09 44867.36 24427.63 3760.15 49568.54 23938.3 22046.17 43716.79 30079.46 27927.85 26746.55 18526.21 27968.16 28130.87 26176.46 26414.99 27865.87 Arg-Ile-Ile 4716.26 6553.63 527.13 5501.17 712.83 8363.59 4454.78 2272.84 1896.47 599.09 3208.33 5665.25 16011.78 5333.29 7499.45 2105.39 4290.09 13105.37 1091.04 10225.58 3612.39 920.07 4513.99 3079.11 3371.25 4225.99 2582.71 3089.07 7555.03 3953.48 1414.72 880.27 5391.21 4738.72 3776.11 9368.36 5415.21 4903.42 1823.32 4174.3 7213.53 10400.48 1939.35 3015.19 9594.9 3095.7 7843.46 4099.15 687.26 13359.65 4824.47 4281.46 3830.49 5079.24 3311.39 6552.22 2660.01 559.97 4656.04 3226.78 1211.85 5359.32 3600.95 1868.44 4936.17 9478.45 7790.1 6619.68 3120.1 2239.15 1469.85 2920.97 3438.39 924.23 759.27 4491.08 4601.29 4969.73 4765.83 4656.79 4761.2 4481.82 4730.64 4773.07 Vernolic acid 68834.1 120777.92 231273.77 293102.45 82292.2 137377.09 205586.17 79071.47 30025.5 88858.46 39160.64 135425.92 430153.48 177141.39 62269.16 186854.42 282055.04 88860.56 116939.45 33013.67 66188.47 164792.11 206256.3 182807.35 55981.62 41565.83 57141.11 42234.85 90051.29 47288.98 49715.3 142796.62 36297.84 70371.41 66723.14 55887.85 48245.93 78218.01 90436.08 34204.16 83173.94 73458.14 58220.69 221742.1 77641.45 131824.14 53184.49 111619.73 105495.57 176058.45 67590.94 113497.44 49861.43 69358.4 83446.96 122287.38 327741.54 51211.07 37503.11 69626.16 190566.61 205860.51 71045.13 62978.08 26756.38 128927.09 104806.81 136747.95 113727.08 39848.11 32608.13 46023.06 50604.09 89078.57 171873.15 121503.66 116194.96 113783.18 113809.08 115593.69 115632.56 114254.02 115437.35 114010.55 Tyr-Leu-Gly-Lys-Arg 2705.71 4385.46 5435.1 6980.67 18228.85 14201.23 24585.09 13112.54 12394.79 10997.71 14859.17 12793.15 3676.64 6933.79 1949.11 18761.64 9159.22 5040.69 25802.69 5795.6 8578.65 2743.12 9644.2 10159.11 11019.9 9443.43 4325.34 15544.09 6964.23 1020.15 10334.73 70547.39 3013.8 8509.9 6738.29 5166.03 6212.6 6404.96 11790.7 3376.52 20401.49 2688.25 3366.38 5671.97 31513.25 6080.46 4910.22 5984.96 82651.57 52484.8 10226.99 8489.72 8673.38 5343.43 3359.71 4008.11 9791.13 4415.7 7664.83 11199.63 6535.71 8086.99 2952.39 4074.92 5521.29 13678.1 6827.87 1815.14 6657.29 3046.21 7073.46 3037.22 113624.3 4820.78 26331.56 8860.83 8646.34 8137.17 9026.78 9333.42 10018.84 8510.61 8138.03 8557.08 Glu-Glu-Tyr 724.52 453.92 215.73 2806.28 4946.13 7673.98 8520.53 1235.95 331.7 373.58 197.88 273.07 1784.05 416.79 772.41 1268.93 490.63 480.64 408.03 379.29 124.96 281.88 276.3 266.36 200.53 576.2 393.66 364.81 119.24 152.5 448.4 1558.17 621.86 714.37 1408.9 182.51 148.89 453.88 233.46 549.08 8713.86 841.09 447.7 224.56 656.56 1835.65 501.95 141.6 416.43 329.06 828.38 308.26 120.43 234.77 268.24 143.07 481.87 234.81 156.4 1595.2 203.52 1353.46 196.14 180.38 391.27 461.71 383.45 264.62 333.46 237.35 110.81 439.53 200.54 143.5 618.67 1615.4 2477.35 2048.05 1659.1 1794.98 1746.35 1980.58 1958.82 1925.35 Arg-Trp-His 1914.94 493.44 2470.72 1186.48 1366.21 567.91 1279.75 1356.8 856.76 1890.41 741.66 1445.47 2746.61 876.86 1312.45 818.54 915.68 844.14 1766.08 692.05 693.79 832.83 730.2 1883 1712.36 1526.49 1067.79 1084.75 2279.42 417.09 761.77 1036.34 529.42 5967.01 1283.67 736.77 723.82 2617.38 1933.23 882.62 1627.55 751.08 693.67 1988.42 806.56 2850.2 930.02 2740.04 2538.44 884.22 1769.07 947.64 4351.82 3261.81 1269.25 1568.93 934 1428.21 372.84 1008.17 935.97 4411.2 630.1 2720 2431.25 1667.04 1005.19 871.73 1571.62 1605.54 1159.36 1823.24 1115.54 1117.81 3895.78 2638.45 3086.63 3179.51 2765.32 3094.9 3242.76 3199.77 2008.63 3048.52 Pipericine 62392.48 8332.69 12631.84 20074.51 36043.73 24911.46 14262.14 21053.83 10276.46 14928.69 19254.54 28497.23 40776.33 74280.59 49258.78 19391.01 35783.32 63402.81 17700.51 57015.34 33890.73 74812.22 33908.96 8980.71 22742.06 29438.66 9682.23 20357.15 22953.11 23060.46 32059.75 7599.33 24307.95 22775.32 28930.52 37125.48 10437.43 32037.55 13727.95 20511.08 38674.81 21736.81 26615.07 35662.68 45835.28 6902.91 60101.1 35420.74 29756.5 42774.07 73692.65 19768 15615.28 35319.43 37397.72 17722.87 17102.75 30644.97 18375.27 24354.77 9771.23 24128.35 23561 17652.95 31290.81 22931.64 26234.34 27060.87 29115.73 27731.91 14828.41 10195.92 17917.97 20696.41 42982.08 40275.46 20942.64 18651.33 17157.83 53690.82 14740.76 17839.17 13968.42 6128.58 5162.36 23991.39 6762.37 42159.47 3264.84 33274.03 23875.35 18667.46 21021.18 19071.41 13659.48 18835.56 11846.65 30128.55 30142.91 29512.92 30639.8 30476.77 30652.1 32627.3 30649.78 30188.73 Lys-Phe-Gln 138.38 191.94 44.76 21098.82 110194.23 43569.24 46016.13 3183.42 782.29 463.46 406.09 829.55 8104.71 429.8 758.78 8397.6 2002.28 100.57 1223.33 1345.56 1922.71 81.03 226.03 323.88 2118.73 734.65 1864.9 312.75 282.98 620.05 303.79 415.52 182.94 122.33 2283.11 217.33 1685.77 684.2 42.16 52.27 51553.36 5583.58 2740.71 651.94 1071.04 3723.3 70.61 4184.17 5421.54 218.32 453.58 296.53 353.93 1688.91 3309.99 1798.3 3489.49 127.91 2309.61 14269.24 244.88 2327.74 3814.73 158.17 166.22 2560.96 272.2 233.69 495.44 288.15 56.8 852.61 2048.8 38 3018.09 13416.57 13420.61 13256.46 13152.95 13269.31 13084.66 13144.46 13267.64 13270.6 Gln-Pro-Val 8925.8 26368.52 6055.64 3788.18 5618.67 17440.84 7389.33 26877.63 25710.06 21828.99 7411.62 7253.87 12318.8 8666.11 15904.2 17677.9 8853.38 30994.98 7046.03 38527.57 6407.55 9878.47 4237.29 8056.62 9866.32 27533.72 17675.64 6852.76 22126.51 10895.26 13198.65 22921.19 20081.67 7268.73 10039.03 19045.89 9417.82 4539.73 3211.64 5545.75 31214.45 27724.02 12405.07 3777.31 17140.64 7099.56 39995.63 5583.26 9216.81 9605.71 10136.7 18217.21 6911.5 15885.9 25513.88 11559.54 4579.8 3501.26 9651.78 8727.43 4327.4 4867.62 6100.13 11801.06 8646.43 10168.48 10764.82 3528.63 4476.59 6984.01 25564.94 9444.66 11672.79 5094.42 7436.23 12363.13 13509.31 13875.86 10621.08 12657.65 12215.83 13920.66 12669.77 13424.93 Gly-Tyr-Tyr-Ser-Lys 1325.3 7184.17 2762.94 5151.19 19867.03 23063.25 9593.5 15222.71 16374.62 5083.73 3594.58 8848.71 2083.5 7151.04 17684.21 4409.76 6373.59 3199.62 23923.05 4795.11 18765.55 10296.6 5518.88 7940.67 22427.21 14737.97 5801.26 5133.97 6612.65 1457.81 16495.97 14788.46 8945.91 2209.13 1875.16 16449.24 13277.04 3593.97 1415.91 2919.98 18447.05 20918.89 6613.03 2015.97 26180.06 1389.42 21179.5 7268.53 12539.91 25517.19 6520.3 14542.72 4856.57 3376.19 7864.5 4334.57 4501.03 4682.73 20500.57 6055.37 3176.55 1687.16 4187.73 2660.77 1334.58 17667.66 21110.72 2869.54 3190.09 18373.53 11231.35 11042.65 8270.87 822.7 2485.4 12605.55 13186.62 12867.09 12713.73 13262.04 14005.53 8653.18 12727.51 13317.49 Gly-Arg-Ser 4775.15 3934.25 13156.26 5374.19 7742.88 6716.02 7274.93 24076.45 8491.33 5454.63 15780.63 6107.18 6570.48 7212.15 5544.21 6788.57 8318.15 6557.92 10472.49 6554.4 15258.52 11478.62 7121.5 4299.92 10660.64 6726.06 3496.6 5264.64 6593.62 11152.33 5585.59 6458.66 8393.19 5871.18 8318.07 5201.69 4597.92 7247.06 7862.09 8046.84 7036.91 3044.19 7519.4 7328.17 8355.87 8092.72 10637.86 7118.89 8029.63 5086.83 4106.37 7205.43 7314.01 7779.19 8484.84 5369.33 6257.95 7133.68 6065.69 9344.34 5211.13 6343 5100.81 7999.64 7743.05 7131.32 7946.74 6950.83 7133.4 2988.86 4659.83 6917.52 4012.01 11248.96 8130.95 9835.54 9969.83 10592.34 10071.2 9891.17 10268.7 9349.44 9667.32 10270.57 Pro-Pro-Thr 6647.31 7923.88 12675.86 15867.46 8115.18 14661.18 17482.92 9824.42 5591.82 9151.91 14339.36 10926.99 11809.21 19911.21 6535.2 18918.27 12479.34 10470.58 33346.01 18085.8 7987.27 10013.37 10306.57 11330.84 9746.08 11187.18 8113.5 8055.68 15344.76 5786.11 16013.36 58664.97 6213.2 19727.76 20535.38 4601.41 6550.89 3478.72 7469.95 10968.1 9397.59 6912.96 17662.02 14576.03 12849.1 19365.35 13721.83 22694.38 14446.06 39305.09 2893.98 9223.9 12359.74 28564.27 7529.95 9192.1 11217.85 11319.21 5112.36 7636.33 9523.38 7223.8 5457.86 15622.15 12870.42 3822.96 6756.19 8562.76 14743.74 4423.83 5734.2 13209.17 14065.3 16476.77 17966.22 10624.25 10052.01 10616.68 10669.5 10149.16 7751.55 9987.85 10627.45 10329.97 Thr-Pro-Arg 11648.38 7918.44 8423.38 5137.55 9913.94 5717.59 10815.44 22636.97 5158.39 8893.58 21424.89 11506.53 7866.64 9260.63 7401.06 11089.68 6833.58 8807.47 13482.68 5524.74 10954.99 22578.7 11598 10100.71 12262.77 10926.02 14769.16 9524.79 10995.88 7736.33 12231.69 17847.05 3203.14 8327.37 11843.34 6124.51 9978.52 7195.66 9803.11 5100.79 8062.4 11337.25 7782.38 9860.15 9035.33 11190.03 7191.34 6731.68 6158.52 6387.87 8189.86 15017.45 9163 11609.84 12145.8 14805.07 7907.38 10859.35 5812.88 5388.77 10731.14 9322.05 8428.51 5045.08 9865.7 6283.44 10885.88 7355.21 11405.92 6038.23 7327.96 6516.71 8175.23 5309.39 8754.86 10211.14 16731.84 10102.84 10281.84 12381.23 7874.73 10248.19 10461.75 10628.22 9927.67 10859.33 10137.12 10775.64 10061.22 9691.86 9615.85 10344.22 10464.87 10451.12 10488.98 10035.87 10558.05 10428.01 10766.22 12769.38 9787.63 9738.46 11348.13 9982.93 9842.64 6358.22 9975.36 9294.64 10080.67 Pro-Trp-Ala 1207.86 1630.83 2144.86 7514.46 9063.44 4225.86 16437.65 24108.44 8460.53 6596.46 14390.65 7777.6 971.12 7013.87 5018.81 2294.03 1514.29 1961.46 10330.26 1438.6 15813.32 4914.67 6372.15 8530.84 6118.9 3809.76 541.82 1259.83 3645.16 2565.89 2249.33 7723.43 2989.18 17385.19 8798.11 6710.64 4338.14 6937.88 8319.73 7196.27 11502.15 8714.04 8300.59 8779.02 8451.98 8898.98 6750.84 7256.89 7167.39 7048.02 11108.55 9775.39 7359.59 8849.77 9967.9 6772.49 7114.04 8381.32 5807.17 9960.32 6948.76 9144.74 9827.34 8812.01 7849.78 8429.38 8205.05 7401.13 11937.42 7779.02 6956.87 6244.38 11376.89 11648.43 8472.98 8901.23 9218.61 9110.39 9287.11 9204.59 9233.24 9223.28 9100.8 9020.36 Ser-Tyr-Asn 16317.74 2190.94 9374.99 8123.07 493.45 1730.6 11615.31 12902.37 1571.62 17951.53 8297.32 552.46 1062.82 2964.96 6703.13 3834.54 3485.8 562.75 1636.82 507.64 1517.91 2831.01 7612.5 6143.19 3215.58 4399.26 4681.1 14906.6 2081.45 3396.93 476.46 1212.8 16309.53 11674.9 8417.33 12285.29 16917.17 11676.95 12210.62 14707.5 1635.49 3129.49 12625.28 10385.71 982.34 578.01 1973.63 13300.95 5088.09 786.34 1230.66 5628.27 12340.07 9249.75 15753.18 8214.68 16216.82 13319.32 17151.59 16842.73 15854.95 6406.95 13994.84 11028.67 7859.97 3813.77 746.68 7095.92 10523.39 6558.95 11787.53 16718.03 10264.91 6423.83 8959.98 8907.27 9084.74 9658 8171.66 8960.14 2753.11 9141.55 8222.34 9197.56 His-Ala-Tyr-Tyr-Leu 10467.59 5916.7 12893.5 13577.96 24063.41 3457.81 16382.5 15337.13 8080.63 7912.55 16115.9 10125.99 25295.36 22474.43 10925.44 26843.57 6974.71 9125.47 33693.87 886.84 8973.46 16068.86 12833.85 18270.59 14127.78 14735.64 13750.72 12864.87 26683.32 15980.09 12274.47 27608.05 788.97 31041.54 16160.08 10739.32 9710.44 16719.48 17823.93 9391.13 1072.74 10898.65 17999.72 9166.63 13765.74 19187.82 5394.14 19724.87 30768.29 24888.18 10503.26 9828.79 18932.37 26311.24 17832.98 2216.35 12322.19 7327.07 5444.91 984.98 18733.61 13980.05 6251.54 14137.17 3320.76 10981.22 1951.67 8713.44 8399.52 12997.24 1316.57 22192.13 11700.84 8710.67 22798.25 16655.81 16666.52 16336.8 16255.3 15866.57 16647.37 18540.72 16746.95 16216.73 Rumensin 12747.56 11541.88 17041.11 21414.17 29496.53 594.83 31186.64 20725.06 1073.74 17343.73 21080.73 26638.12 19935.65 18724.67 12709.98 33944.58 13195.75 11623.65 34326.07 18106.06 12497.15 1048.98 17870.47 25242.99 14872.19 13891.17 31790.33 25780.4 1376.75 19254.58 17422.83 63405.96 4917.93 23652.81 22376.97 28636.52 20352.82 9250.36 17975.56 20780.99 13982.53 28946.44 25775.17 29416.27 37391.66 38988.07 28036.88 29175.4 17504.58 64737.54 6786.16 19218.37 20901.9 30223.24 4105.23 14926.41 12299.63 16667.3 13121.26 10830.61 8079.18 10320.29 10674.7 28163.8 21988.6 10511.29 9455.44 26585.81 31173.11 24610.33 18399.66 27105.03 49877.86 18725.39 29279.45 30337.1 33391.87 29863.88 29818.41 30063.18 31167.24 31289.01 31636.48 28275.37 Fenazaquin 22645.25 45687.25 1568.05 21714.59 775.76 24233.01 5468.46 30732.53 28734.68 35827.86 26540.24 5942.84 1846.82 28181.89 36165.87 13789.73 35658.32 39323.47 29057.12 25496.41 36861.4 17421.36 18815.25 19744.87 1138.58 38585.81 31348.78 22895.08 23321.94 47359.07 24210.65 20725.43 60581.55 14422.85 35740.98 27221.33 41848.46 41378.87 30258.57 41457.58 28956.09 20252.14 17786.74 32409.27 20435.7 12664.75 26576.62 31644.31 7154.87 64744.54 27726.36 19975.47 2009.36 12062.2 22358.1 39318.72 23305.26 40617.55 48315.62 38628.1 34584.11 14979.55 33941.04 38865.11 39821.65 14672.69 29768.28 34151.55 29320.72 34900.32 55351.75 37596.59 21223.27 20088.65 12547.73 20439.43 19054.32 20587.82 19372.47 19170.54 20571.66 19568.24 21359.86 20016.57 Arg-Pro-Asn 2429.1 3752.23 2786.94 2120.22 11461.62 6513.91 461.6 951.25 5539.67 1020.17 3870.13 2675.19 1408.63 2935.85 10728.6 5585.87 6370.12 2539.28 7221.1 7537.78 9593.87 3219.73 1271.46 2322.85 2190.75 3632.21 2392.67 2042.12 5931.3 3260.22 5525.77 7438.28 2669.53 1958.24 1080.58 3390.86 2783.97 2633.13 2886.77 3211.76 567.49 2085.17 3828.19 1547.83 1230.35 4568.13 3148.99 6355.38 2013.78 4530.89 3984.66 2444.29 1715.05 1804.99 3804.76 4855.14 2205.07 877.78 4675.37 5400.06 5560.12 963.78 1033.95 6805.88 829.89 3060.72 7593.28 1349.28 647.35 1941.48 1826.06 4856.23 1710.31 3757.46 5897.91 5241.92 5228.76 4594.09 3513.21 4765.98 5068.01 5156.73 4557.17 4427.24 Tyr-Asp-Asn 85759.08 104738.9 7744.79 29422.62 20353.63 58753.8 39271.46 169075.01 209657.55 71013.67 30455.38 26259.78 35557.43 48308.29 91852.07 64944.61 26125.85 253322.98 71936.4 273664.81 113504.02 22903.01 27780.75 31252.61 281194.01 116989.32 17234.32 14096.33 42046.44 11895.15 277058.36 61134.23 49530.92 491.75 14091.59 145349.46 216298.87 10645.43 6305.68 53261.88 50288.69 130617.06 54198.43 9525.02 188357.37 42063.44 305850.74 54753.28 5672.57 83722.39 10327.73 58129.06 12412.94 7927.73 81812.5 81069.49 562.08 29528.6 246455.02 23250.04 29772.32 1213.36 58225.38 65261.16 63621.24 105713.22 76029.17 30351.94 56571.27 239199.1 113626.5 131471.79 63173.3 21888.82 11068.23 72822.36 73177.22 72678.5 73825.35 72671.01 73186.59 72997.14 73175.79 71732.5 Lys-Glu-Phe 23077.12 879.98 10187.65 3929.71 3048.98 9501.55 9715.85 13161.32 17293.35 1620.23 14674.3 1777.47 25034.52 21105.8 3594.6 9531.58 2552.69 774.92 7310.39 1653.94 11202.3 5957.89 13467.03 10681.02 2428.08 5331.56 7173.38 23466.48 4067.89 596.75 1214.17 1825.51 1054.12 36060.99 7176.56 5824.51 6645.91 5630.81 39328.18 2429.24 5843.92 2864.28 5170.85 16994.84 1899.14 31121.9 7929.72 8372.97 21488.51 10367.66 52798.54 10726.68 23171.24 11932.07 15499.17 6899.21 7538.82 3119.94 1089.23 2502.43 13188.12 16388.51 17380.03 9735.61 6670.05 11578.54 12034.56 7102.29 10351.93 4333.44 7135.89 4879.1 17588.28 7395.3 14347.44 11146.02 11167.15 11841.12 10751.52 11158.06 10968.49 9573.81 10711.82 10708.7 Phe-Asn-Leu 6893.86 5934.66 5596.03 6197.22 9981.52 233889.54 124893.13 9970.09 7516.22 5919 8074.24 6962.77 1944.76 5908.45 574.28 2200.96 6531.82 6478.24 6579.84 10815.51 8042.55 7775.68 6215.59 6246.68 6781.13 733.56 5853.83 915.8 11212.6 8336.15 5055.06 82524.37 558.76 8645.85 6648.3 6270.45 9206.19 6724.75 6633.28 6125.06 25136.81 6152.67 7165.58 7322.53 7863.77 11253.36 7972.82 5992.52 6241.06 7442.18 5661.04 4617.97 6082.48 8121.23 7600.7 5583.48 5455.24 5265.69 6460.51 7251.39 5716.07 4281.02 6709.8 7863.19 5532.55 7038.92 8151.32 5479.39 5698.99 3030.4 6573.25 6660.54 6145.71 8044.29 7903.85 5892.05 12160.42 6361.62 6144.45 6079.52 7470.77 6343.64 6700.0 7115.09 6397.57 5730.29 6696.4 6132.42 6619.82 6716.79 5452.45 6436.42 6145.67 6275.39 6631.58 7273.23 6636.8 6182.95 7778.06 6630.51 21475.14 21254.15 21601.86 20662.15 21926.46 21587.56 21398.87 21591.54 21292.68 Ile-Val-Ile 4694.58 8107.6 4653.14 4911.2 23497.43 1333.24 7032.87 24914.8 23781.05 10589.32 4701.97 1574.81 5666.98 4904.6 31537.35 9306.22 3313.27 14461.58 10720.7 23387.33 3508.64 6280.35 809.15 5592.65 25069.98 31860.16 7903.52 5503.51 16938.98 4126.26 3584.91 3722.13 13926.85 3093.67 6006.87 13823.68 10652.28 2079.88 3664.32 11315.53 2714.91 6289.17 15132.63 2569.82 8182.03 6763.79 10977.52 2768.4 4916.93 1094.66 5096.36 4313.4 7554.09 11975.63 11201.78 4602.55 4822.41 7440.29 14294.09 5777.49 3196.05 845.58 15602.62 15246.42 16467.57 10440.93 1658.44 3409.97 794.08 18604.2 27085.03 3436.37 7073.09 16169.52 619.03 11089.02 10992.53 10990.23 10994.81 11138.8 11092.48 10995.81 11127.63 10991.02 Splitomicin 6621.14 4508.68 1077.38 1563.58 4073.29 4028.34 3022.62 6100.75 6902.72 5658.35 3156.81 4962.04 3424.76 3507.89 6051.3 4406.6 2753.43 4372.06 3590.39 7823.56 5995.38 1865.7 2459.06 2673.87 6198.23 4907.55 3162.51 5194.67 4503.27 5849.04 6462.81 5719.75 4257.21 3800.23 2285.49 6126.21 5834.5 3186.02 2998.45 3216.75 6851.44 9293.82 1919.74 2131.1 4624.65 3725.54 6470.43 3400.77 5115.95 5584.53 6509.31 3624.51 3052.57 3060.21 5221.05 4265.32 1784.79 1525.1 4848.56 3033.95 1286.09 2345.6 4171.83 2944.52 2841.69 5588.55 6214.53 4042.43 3854.21 5636.91 6573.96 4227.12 4616.29 2966.05 3072.06 4435.66 4319.18 4455.18 4463.61 4080.37 4338.93 4336.51 4812.61 4454.44 (Z)-7-[(2R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid 7678.72 9528.83 11356.23 13703.15 9848.37 12996.3 8447.63 3947.91 5850.92 8087.62 3226.52 6994.43 970.87 9898.83 6313.28 7155.96 17296.89 13329.18 7081.6 8179.9 7870.2 7385.74 7337.46 7633.88 7914.28 9559.66 9129.19 6958.31 7143.24 9663.54 8511.56 8641.58 7921.34 9443.25 8098.33 9254.95 9047.94 10886.19 10490.64 10128.73 18349.56 5067.01 6873.64 10600.51 4693.07 1567.96 5341.99 6855.15 2603.43 7007.27 10418.7 8467.81 8602.33 7434.09 7157.16 16707.38 13479.99 12068.35 10621.32 9703.71 11107.97 12933.5 7571.75 8516.55 9425.86 5446.05 7448.94 7623.32 8316.59 6196.56 6050.43 6144.08 7025.46 8922.48 10483.36 7791.57 7595.2 7615.18 7760.28 7769.46 7518.08 8262.58 7775.52 7601.5 Trp-Cys-Gln 18303.17 19093.3 16000.36 18630.16 17145.85 20038.85 21927.98 26113.44 7837.38 17185.42 20694.23 11641.5 16572.82 20804.69 18846.5 17838.9 3722.28 16956.93 19811.63 18793.92 19446.3 1341.18 13092.78 17323.85 23433.19 5321.6 22775 17953.9 5125.65 18078.33 15439.73 9153.33 2186.14 17070.44 15044.97 17866.37 15363.85 17393.65 17406.26 12436.21 16383.99 16689.37 16299.5 13028.66 18059.98 15197.74 13700.56 16978.03 16535.85 17049.13 9966.3 13130.42 14434.11 9470.37 20288.47 13166.71 15435.02 16767.26 11566.32 11007.11 15681.56 15230.65 16801.67 15931.76 17897.56 18254.41 19455.59 17192.75 23811.25 15225.81 21694.48 17304.58 16383.92 18367.79 17797.9 15672.05 15207.83 15686.23 15715.38 15798.97 15243.34 13512.28 15188.29 15227.31 Leu-Val-Asp 700.99 6131.56 4038.84 1371.93 21555.11 6877.29 5962.45 27502.42 24155.29 11355.81 1240.58 3888.66 3346.64 1022.93 24106.33 7759.54 4933.26 23753.42 7251.55 17969.75 2859.24 3164.04 796.76 3853.16 20530.66 20521.65 3299.43 303.45 19080.26 596.62 2904.7 7666.64 15116.17 3029.64 16803.42 16578.52 10645.99 2099.33 1313.96 16215.73 1139.97 1681.33 13972.81 1820.93 6967.52 2802.71 7355.9 3808.34 7933.69 6418.86 2266.91 4841.9 12809.8 19267.09 14733.98 3637.15 5757.13 8298.78 12319.5 4826.62 1253.77 842.14 17477.19 5900.87 17853.71 20741.95 704.78 1158.79 2887.41 13643.39 24001.01 2541.87 10291.29 21250.65 1252.59 10773.55 10654.54 11040.4 10602.7 12937.67 12972.04 9844.76 11536.29 10551.09 Tyrosyl-Methionine 2764.41 4759.56 8821.83 7066.15 7798.76 761.51 4601.22 1907.28 3299.24 2172.23 1009.62 1087.89 6193.63 3963.07 5852.36 6914.92 2658.94 5850.58 1363.33 3499.99 3100.58 1208.02 2120.82 3698.22 6115.25 2030.97 1776.35 1669.46 2938.09 1315.95 3488.56 2687.11 1486.1 1217.72 3039.03 2129.13 4657.49 1613.31 5811.4 1020.52 2589.23 2699.48 4697.92 6874.29 6283.65 2316.77 1283.37 944.41 1531.56 2797.81 2138.52 3554.12 1640.7 3939.5 5673.08 2653.38 9098.71 4624.49 2627.54 697.49 4700.96 5394.42 5549.9 5768.2 2066.2 7124.55 2691.39 2299.73 3096.59 3449.57 1100.21 3283.55 1425.15 6364.98 10239.89 3785.06 3976.9 2819.69 4424.46 4072.46 4056.83 4009.82 3971.48 4065.11 Gln-Glu-Gln 40114.4 1898 2022 944.96 8268.43 1160.05 22629.6 8814.19 12585.67 6712.98 18554.67 2914.97 9482.67 1669.36 4480.6 480.59 4854.85 1088.57 9622.07 1469.13 10187.1 1394.06 2690.13 3468.53 2903.67 3975.78 15394.41 31003.47 1860.78 425.06 1010.93 3471.01 948.89 16077.97 12405.12 960.53 9084.52 17559.74 14759.45 12235.07 2136.78 13051.56 5662.77 24175.01 19236.76 28136.76 17218.1 3307.88 24857.05 6242.8 29822.18 4675.25 2315.05 12231.7 5244.31 4244.52 3168.42 1002.06 2506.24 7792.19 3454.41 5807.51 11442.17 4348.81 1292.09 10374.06 13452.56 11802.08 17752.8 10785 15759.71 20655.49 3801.88 2619.67 26615.3 10269.08 10242.81 9666 10299.44 9788.67 9802.2 11379.44 8789.59 9663.74 Asp-Thr-Ile 2938.99 4974.64 3786.75 1846.25 10512.82 10709.15 10870 12866.33 9070.57 5386.85 2479.1 2860.75 3246.76 2310.17 7212.34 5631.56 3779.49 5397.96 6403.77 11870.2 4752.14 3756.18 1581.89 5384.27 21592.29 6272.96 2288.13 3681.15 7341.64 3012.6 4882.74 6006.68 3177.96 6749.26 2425.44 9279.09 12800.64 4756.93 1029.3 5352.03 5632.64 3930.14 5835.72 2643.23 5227.12 9841.37 9821.21 1316.62 3877.17 6848.63 5495.61 2599.53 5947.13 4365.32 10798.26 6186.85 3685.73 6478.55 10839.18 13091.03 2412.43 2039.09 19242 8856.59 5709.21 12260.19 7595.57 1455.16 2512.57 12727.24 7189.1 1020.85 5801.63 10996.62 6877.1 8601.95 10316.99 8786.38 9045.31 9055.44 8707.31 8819.83 8492.77 7878.69 5-(N,N-Hexamethylene)amiloride 5626.79 7762.98 9513.28 8291.24 11607.88 10120.6 11186.94 12630.02 15015.77 11256.51 10745.81 9273.95 10279.92 8728.33 9626.57 15028.84 10136.44 11169.08 15486.08 14634.33 10409.33 7454.29 10897.25 13267.87 8397.06 9838.48 11957.46 16612.75 6461.91 9321.07 6012.55 13700.94 7301.04 16018.23 11330.09 9557.13 9879.34 8345.37 13373.93 10589.88 8574.27 11163.66 15500.52 7338.4 7902.42 9336.3 8657.69 11778.8 8400.35 13603.29 8104.33 7420.75 12295.88 13586.76 7337.27 6747.34 7184.07 8713.89 7404.34 5969.07 8903.25 10374.14 10531.21 13939.06 9949.7 10867.35 12355.53 11197.14 10261.7 8807 10097.32 12162.03 12751.96 15940.94 12854.38 124600.15 113855.07 129457.62 120980.09 143252.78 135866.98 127112.74 99328.82 98677.71 114483.36 79031.34 87413.48 76974.28 77802.62 89035.25 87980.44 120320.71 97416.06 94457.98 96265.62 93159.12 105237.42 77946.59 92558.94 82938.32 11206.52 11233.99 11468.46 10968 11009.94 11240.12 11248.52 11030.43 11024.17 Arg-Val-Phe 8936.67 11675.77 3504.31 1254.97 60252.46 53159.12 42273.48 13681.23 8427.04 14895.82 5761.98 14457.75 12560.86 8939.69 13630.01 9743.12 2119.54 6085.77 7478.16 12086.93 9552.85 7059.11 4367.46 5596.31 8185.51 11889.8 3706.67 6216.8 24860.14 11470.84 14996.29 6415.54 6853.73 13079.98 6098.31 26770.18 10649.42 10809.58 9388.34 6469.66 29533.46 16744.33 9349.32 7163.09 11301.63 15252.5 25802.61 11812.91 12033.94 18833.27 13113.88 10068.84 7376.05 3417.73 7405.28 5965.78 5710.81 2383.84 9828.4 11057.51 5612.3 9919.84 5339.77 5401.43 6736.6 12369.98 16675.39 8831.18 6347.79 10846.63 9155.26 12059.62 5286.2 5389.63 12253.39 15842.21 15863.6 15844.92 15652.35 15500.11 16107.99 15296.66 15632.04 15601.13 Lys-Lys-Val 339447.88 429639.01 489514.88 398574.75 535006.41 105396.28 487146.02 564243.14 596486.29 411977.43 371426.39 239430.43 392163.02 346052.07 435645.38 490015.94 354839.76 200354.9 882743.26 375791.05 506536.54 120079.75 521280.37 579871.17 579143.34 292898.48 586577.99 359738.16 491629.07 162778 178039.49 450902.44 288307.68 542786.97 477424.67 663364.2 428245.88 99027.13 437639.07 290464.53 216545.69 381187.55 527332.97 216890.09 402293.72 405653.86 591801.31 542343.7 787922.39 480884.6 406251.57 505158.08 447402.2 512647.18 538388.21 395178.99 364908.96 283260.96 388121.98 108882.63 454293.14 403693.28 726068.64 568967.99 292244.01 494453.44 220499.58 405697.96 203435.58 675998.72 461587.26 442596.78 345076.12 339309.58 449942.54 459279.23 461985.19 461949.89 462602.86 462553.58 467493.74 453432.37 459363.27 460009.45 Pro-Phe-Lys 1083.05 4059.83 544.77 1689.79 6617.65 6106.28 1585.12 4601.25 4127.56 2589.75 2070.28 658.6 4370.27 9908.19 9940.71 13317.39 6642.92 6930.8 17813.9 1094.43 4844.3 3148.3 1548.81 3725.17 3485.52 2925.01 3577.46 464.14 9240.24 656.03 10771.8 25217.4 3746.14 5046.78 6937.56 3990.93 641.34 3153.76 830.12 4693.01 6114.94 6564.06 2951.65 2570.84 5472.4 7922.88 8290.08 4464.59 1684.66 25418.56 591.37 9973 2699.48 1650.86 3113.43 521.03 1041.08 773.64 3528.03 2957.39 3663.13 2415.57 6876.28 1298.6 1560.41 527.13 10458.3 768.13 610.83 1154.6 1375.15 4059.67 4509.51 4038.11 7815.48 4013.42 4035.99 3786.53 3971.56 4204 3657.27 3636.59 3709.61 3878.89 Cys-Asn-His 3132.94 6148.1 5855.81 2788.86 4161.43 5118.29 9646.36 4276.94 7942.44 6006.17 1198.2 1085.07 5814.88 5149.02 7531.37 5091.35 5355.16 4596.09 4084.67 6964.06 3482.06 4914 7758.37 5376.79 4716.13 3529.03 5922.72 1198.4 622.16 4639.02 667.75 1293.56 2424.04 3718.25 7703.72 5052.27 4826.29 8091.14 4837.6 7141.9 5988.21 3466 6284.29 5974.47 3790.34 4258.61 7912.28 7033.5 3266.42 1816.69 5574.43 8546.66 3949.23 6761.12 8700.17 4491.96 6405.22 7421.8 7220.57 6113.16 6606.06 6451.03 5822.39 5210.45 6900.35 6421.62 3023.75 3067.87 6648.99 4390.25 1154.01 4820.12 5161.31 4202.02 4713.59 5866.13 6363.73 5736.53 5517.96 5788.17 6072.28 6089.44 6038.07 5915.46 Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy- 5415.06 4604.68 4176.96 3575.56 2181.08 4670.43 3532.76 7210.47 7299.35 7266.28 7884.75 6242.85 5267.87 5108.14 3988.22 3167.29 6636.55 6152.57 4685.31 3005.54 7198.23 5835.03 7308.61 3349.03 4768.85 4752.99 6456.34 6075.77 3415.24 5005.27 5680.85 4609.4 9501.32 5575.69 4125.11 6146.33 5801.99 5170.19 6865.21 7526.59 4561.67 6246.62 5948.73 5470.87 5863.17 5481.85 5230.65 5006.83 1914.68 5855.38 5057 5412.13 5216.79 3783.61 5264.25 4882.84 4016.94 7400.37 6354.28 6671 5625.57 6349.44 5218.43 5150.6 5116.34 6057.65 5930.55 6200.88 5834.89 6140.79 7397.43 7647.79 2835.41 3858.49 5900.41 10269.95 10116.84 9903.32 10610.87 10013.26 10422.36 8966.21 9935.21 8585.72 9277.59 7369.08 8496.83 9548.45 8944.27 9276.66 5628.82 8690.09 9147.91 9320.97 9128.49 8886.93 8907.76 9166.43 8109.1 7616.57 5848.82 5738.81 5531.06 5950.12 5790.98 5734.55 5770.98 5743.28 5852.55 Val-Leu-Thr 356.25 300.69 642.29 2023.2 424.71 2656.95 528.19 13059.81 14433.23 3201.15 2647.6 2679.5 299.92 506.87 10154.45 1437.11 1035.12 677.65 598.91 434.64 1505.25 1667.78 1322.95 516.03 588.47 16109 2764.03 2678.24 7653.44 645.62 560.26 1992.67 3481.23 834.15 3775.56 7611.49 4217.71 1303.34 527.85 10315.22 1510.74 1307.41 7123.89 458.7 1962.83 1253.68 3618.9 1195.55 2364.3 1505.75 1295.28 1009.94 4658.85 10119.78 5264.36 1668.84 2069.29 3922.76 6763.04 4700.97 602.66 1838.82 7171.42 7130.04 6021.65 3227.75 783.43 1854.45 529.02 8928.63 13954.73 942.18 5272.86 12646.43 2632.9 4820.66 4763.26 4752.77 4759.15 4641.68 4590.26 4642.23 4625.19 4766.08 Thr-Pro-His 23970.09 27935.69 9486.48 12023.79 710.13 18284.42 15098.26 30922.98 31562.93 18778.19 9741.46 8327.33 4925.66 10593.9 21802.8 6144.42 8987.79 3923.25 4708.12 11227.31 36201 1350.09 11076.28 12897.06 35087.95 34283.71 11724.37 12261.22 21135.57 7574.66 16452.02 20729.6 18081.81 14498.19 10804.26 21094.3 30198.78 23086.75 10809.85 9832.72 12294.03 23034.41 12019.92 6335.15 16537.25 8407.35 15239.53 3753.95 10053.83 17816.39 20818.53 24326.54 10287.75 8129.24 10289.18 16436.78 8121.74 5281.49 22694.98 13362.15 7390.72 3357.57 18355.94 6819.42 10301.62 16919.35 31740.46 7022.22 7650.65 28789.52 12613.53 17906.76 7125.51 7073.52 8804.38 12647.3 15076.33 15416.73 15167.27 15602.96 15712.64 15425.91 16163.42 15275.74 Thr-Asp-Trp 4455.28 2824.91 2928.55 2659.67 2084.8 2136.57 2328.41 3548.88 2096.34 939.29 541.55 4711.66 6389.58 8662.92 5909.97 3836.37 5239.2 17749.39 3802.6 23227.98 4432.53 2886.57 1795.42 5408.23 6628.17 2973.11 4422.66 5483 5550.87 10846.31 11722.23 1460.34 4564.25 2747.3 1832.34 2171.36 1196.88 1440.95 2327.12 2311.89 25240.81 9422.24 2210.98 1888.76 13489.92 2165.97 7279.89 8752.22 997.78 51487.76 4925.23 865.6 432.05 7563.23 1252.64 3697.67 549.98 2060.54 6344.28 805.03 1556.78 3268.27 1375.16 2511.83 1605.67 9728.23 11348.09 4721.94 2600.77 2068.83 1686.97 1176.03 771.9 1426.7 1530.51 2694.45 4096.67 5816.04 4367.66 1879.26 4406.55 4205.83 3748.35 4424.2 His-Ile-Asn 2437.9 640.68 1437.75 13753.2 15721.33 29443.85 40870.83 3473.56 1247.09 458.04 2746.16 944.18 5241.46 2457.38 408.07 4207.11 1623.07 1244.31 932.1 4189.84 1594.98 1725.47 2769.21 3097.71 1716.65 1060.4 2216.43 919.94 1297.14 1020.58 1169.4 1458.53 2869.55 3336.79 2596.58 2401.51 1096.82 680.76 2111.04 2122.76 11664.01 4074.12 2959.86 2478.15 2780.29 22968.76 288.2 2854.63 1594.33 3964.39 3626.67 1930.2 3400.15 5558.51 1097.76 583.19 745.81 1326.35 775.9 472.4 1845.72 1281.31 1758.87 2193.96 2892.87 1676.51 2320.76 3874.34 2698.23 459.96 982.25 817.42 2819.94 2817.14 2754.9 5050.06 5553.07 5211.47 4234.08 5375.78 3970.77 5914.83 6807.57 5495.87 alpha-Hydroxymetoprolol 1381.58 2005.45 1042.7 2387.9 1186.73 3387.91 1268.8 1051.67 2481.38 756.31 2478.75 2227.53 3157.32 919.92 1187.48 2364.21 1514.42 1410.25 3958.06 1805.56 1777.07 2465.76 1925.16 1758.86 1720.02 2049.22 723.36 1601.15 2446.3 561.33 648.37 4890.02 927.08 1134.89 2303.16 1992.67 1124.66 1099.64 1757.49 1228.65 3989.94 2173.79 882.01 1627.53 2212.65 4306.19 2408.18 2362.89 1822.58 3293.53 1882 1909.3 1739.93 3175.52 1144.79 2230.2 2107.56 787.55 1983.29 1388.54 989.69 743.33 2183.63 2339.4 909.69 2608.04 2071.62 1931.86 2008.8 1081.5 1422.41 1326.86 2263.78 2298.8 2766.68 1921.78 1993.58 1903.39 2033.71 1795.65 2005.29 2050.32 2085.44 1987.1 17-phenyl trinor Prostaglandin E2 ethyl amide 21330.46 19193.11 1206.4 11444.05 56268.12 1093.23 1283.38 10721.19 3665.55 2774.08 2121.27 13474.71 5055.56 13744.55 14258.32 5156.6 2546.11 22973.9 7337.3 21387.01 1810.8 11239.29 887.18 2692.28 9982.02 1371.52 1961.01 17697.93 7342.2 3220.96 23232.26 6955.77 1092.11 4555.87 3107.2 15407.77 13508.7 2514.99 2647.44 5996.75 4620.79 17519.02 10415.6 25204.96 16830.25 6786.35 26942.97 13701.09 8755.72 3820.03 24883.73 13476.15 10341.05 8490.7 19006.14 27582.69 16282.31 9960.72 3207.85 10631.2 7097.72 2498.29 33346.95 3793.69 2169.08 18589.06 43738.13 6611.43 8517.2 9331.89 5686.25 3620.64 10799.87 8166.81 9532.86 8839.54 9151.39 9121.93 8838.61 8781.13 9603.17 8785.28 8822.72 9106.03 Oleragenoside 1362.96 580 1202.68 751.91 958.44 680.58 4440.82 821.54 1339.35 2967.42 1672.1 187.78 589.04 755.68 1765.97 2623.79 1567.6 1043.77 1542.78 2136.31 1133.64 2671.61 440.59 361.13 882.94 285.41 1227.48 1751.05 1755.47 935 937.69 1015.51 925.73 1325.59 874.51 1170.03 1132.79 1823.28 463.13 775.26 1463.98 596.57 1031.75 1616.09 311.67 3278.36 8692.77 1174.43 430.55 238.44 3592.35 3610.71 1077.32 1344.68 858.83 11798.52 1413.37 207.28 11464.96 1622.27 1499.65 648.89 2449.8 474.72 1013.58 2125.24 4561.98 3014.44 218.8 838.13 2726.72 3558.41 937.24 375.97 139.72 5018.83 4939.87 4829.55 4983.01 4830.01 5219.53 4869.55 4890.14 4861.72 Lys-Lys-Gly 6163.7 9114.15 31367.56 28738.11 47515.74 32334.09 8644.9 4029.15 2994.68 4056.62 5847.63 7708.09 11230.47 7385.78 17616.7 41636.77 45648.95 10967.53 1076.16 6878.16 12867.78 3923.49 3342.22 16030.8 5958.78 5253.6 14285.11 5362.44 6394.23 3601.29 8671.74 6857.55 2800.75 5703.46 20926.88 5084.34 10632.59 6697.37 3413.03 17127.24 11400.76 5451.74 11784.46 9573.05 4927.66 2186.37 4362.83 4401.23 1674.04 17540.44 2964.23 5593.63 6003.05 23690.65 12831.47 16574.39 45834.87 22398.2 8865.03 34106.58 20798.76 12589 12614.31 26490.08 10442.5 15681.85 7045.88 5620.56 14079.02 6881.5 7214.4 5656.49 15315.7 13241.74 11813.84 11259.4 11260.68 11509.9 11288.61 11361.74 11351.32 11358.42 11158.17 10431.53 5(6)-EpETrE-EA 3134.82 5082.27 4868.5 7173.99 7711.95 7145.87 8931.78 3685.86 6658.67 6160.42 5604.89 9539.83 15538.8 9291.86 6526.72 10647.12 6851.88 6688.61 8826.32 7457.88 7041.51 7291.16 3410.81 6813.87 5259.95 5107.65 7443.37 5565.37 7375.71 3849.99 5220.56 9879.38 2628.19 5071.85 7833.49 4168.26 4447.85 4520.54 2936.13 8395.19 5352.87 10562.9 6630.66 6412.95 7048.56 5104.59 5744.94 6409.82 3337.63 17701.1 4660.57 5241.51 5491.07 17557.46 7637.86 6592.48 9727.33 8030.09 4601.15 5004.01 10941.19 4965.42 7585.49 7685.97 4418.32 9401.23 6767.12 7607.22 10826.66 5496.07 4627.22 9025.66 7846.09 10338.75 11650.62 8266.67 8265.77 8365.06 8356.27 8032.31 8195.99 8355.09 8353.51 8357.75 Trp-Phe-Phe 8448.17 4055.08 1578.25 992.78 5666.34 3771.92 5374.57 4236.08 4109.46 6420 5574.18 7679.06 6307.42 3254.19 4934.02 2726.32 1853.31 1958.85 3816.27 7061.69 5657.27 3055.49 2309.97 4849.57 2411.96 3139.59 10069.43 6500.31 13835.37 4451.83 10517.49 4233.59 4347.28 3228.63 2270.98 12266.77 7771.69 4601.02 6889.73 1190.01 8810.87 6724.85 4552.49 2888.94 15091.76 4275.46 26957.93 2624.23 2996.02 7979.32 2737.3 2078.85 3113.56 2582.48 2961.31 2637.96 1547.39 1783.17 11843.07 695.72 1787.99 1958.14 5510.74 11077.41 1812.21 7620.79 18053.02 3276.56 1858.43 5188.32 13326.93 2533.95 1769.29 4059.5 3835.94 3423.71 4245.96 3854.04 3828.54 3541.05 3529.27 3808.57 3610.46 3620.47 Histidinol 4134.3 19861.83 8279.79 9281.39 4443.52 12941.32 7028.72 15795.07 12781.13 8305.93 10885.59 2398.27 17538.55 24853.94 4083.16 15739.1 20261.74 1142.6 1605.1 1563.51 6932.77 20754.78 27492.92 8963.96 4883.04 7279.99 737.99 2158.89 3999.8 16909.8 2357.99 7723.9 1189.1 18915.29 5767.55 10799.97 7668.65 20900.9 14000.14 9300.69 10044.56 15574.95 11039.79 16047.12 50791.04 1865.01 7192.09 12552.19 7933.66 6397.54 15355.2 10724.16 9414.26 16257.39 12968.08 13577.97 11995.96 14549.06 7919.86 13993.44 4581.71 8221.9 11314.7 9213.35 16093.84 15483.21 6465.36 2901.48 10485.59 4174.26 3661.14 4209.04 9318.24 6794.83 12212.77 6140.88 7393.33 7264.68 8497.41 7925.52 7871.79 7894.62 7375.88 7213.83 Tyr-His-Arg-Arg 540.16 930.87 6129.53 7966.45 1380.48 548.8 33307.48 29944.74 35836.36 29077.99 6496.73 6257.83 926.19 5884.35 507.95 1203.8 445.82 795.2 604.45 1679.7 25638.21 1255.86 1055.25 11187.03 624.34 546.07 410.59 637.08 13935.64 9538.8 583.79 23547.34 898.03 38466.99 21021.86 10876.1 28566.9 30214.42 22156.33 15843.4 52057.27 47758.01 18077.24 13467.03 47642.81 19420.72 11540.57 8993.78 10144.18 10956.06 25908.3 27637.17 17597.04 19998.03 19261.53 27938.4 12312.3 10775.32 22878.57 22698.12 14757.02 19629.28 20774.27 15509.82 11911.93 28000.07 37382.27 15378.4 15235.64 23614.23 24293.67 33683.09 16878.15 20838.3 20436.66 26031.61 27644.74 26323.06 25985.71 26181.43 25990.07 26520.46 26342.34 25990.38 Cosmosiin hexaacetate 100547.52 86817.53 28494.75 37401.45 87985.71 66207.42 46541.84 99026.78 106863.94 86129.41 46141.65 69299.05 39997.1 60454.16 87055.69 71914.71 54456.94 78101.18 81201.74 100234.49 88607.52 40107.83 31771.11 54388.95 105330.69 89431.89 77013.05 98833.31 95513 109311.63 101001.98 81387.99 65331.37 45959.22 45007.5 97729.74 102899.3 18823.3 26256.22 85206.61 104891.42 103367.51 27429.16 23965.92 88300.88 62067 101524.25 86069.31 97964.14 89601.99 74835.93 34999.39 32261.42 58369.3 89283.8 69055.99 21952.38 25463.2 77866.81 43236.93 38596.71 20121.55 70851.98 55241.62 80739.09 83544.77 91418.57 92149.25 100456.28 99565.05 99393.55 49299.34 93973.4 52196.3 62062.92 75330.39 76767.27 58344.29 70415.58 76699.22 71937.89 75884.91 75899.39 75162.89 17-Octadecynoic acid 2082.25 9122.5 60739.48 26367.2 4875.61 14997.58 9875.19 1753.62 331.41 4205.37 937.63 6364.46 16239.78 4555.14 2018.21 15997.04 21309.26 3784.72 4261.09 1033 3136.92 12183.23 18576.27 14888.31 2691.45 389.61 567.08 1037.82 9826.37 1885.67 751.64 2288.76 1054.32 4119.91 2233.59 1241.43 1776.55 5194.93 12171.93 2728.63 958 3344.61 4205.76 11064.65 4904.27 16208.56 1478.06 3632.56 5271.97 5561.96 2531.61 7643.64 7250.24 5435.66 5850.89 6623.76 51539.89 7015.94 1860.36 3174.88 30548.49 14502.1 2931.41 3750.22 2778.5 11236.87 3469.81 4143.36 5265.97 1159.11 1117.97 1741.88 4852.08 3828.46 9150.13 9386.4 9541.07 9385.19 9386.51 9382.28 9430.93 9386.45 9458.27 9385.66 Malyngamide J 21670.21 24700.97 15747.53 19334.59 35953.93 687725.79 217819.4 28453.9 26220.66 22783.49 13273.49 17206.71 19056.82 23021.97 22923.23 19466.86 14491.03 21343.82 20796.09 34217.58 20937.33 12543.27 13874.86 21747.94 23374.44 29410.45 22456.69 23481 42089.87 24218.52 29166.5 488434.35 12194.26 26718.7 20843.05 37679.83 24603.26 28944.98 19639.03 19404.92 56126.08 33912.89 16373.67 15515.7 33736.78 26814.08 36046.43 20528.24 18210.99 30247.98 20746.72 21705.9 15376.19 17589.46 17924.88 18904.78 13739.56 11767.74 20557.85 20231.72 15737.18 18007.78 18192.88 16677.39 12022.95 22329.31 26469.92 14922.28 15696.48 20579.56 19440.91 23508.17 16163.43 19423.84 23088.45 1940.87 4024.51 2281.86 2102.1 1982.05 2238.26 2286.79 2116.98 2125.25 1916.14 2603.28 2095.91 1881.3 2149.67 2025.63 2420.77 2322.98 2018.93 1851.46 1795.46 2516.55 2112.84 1960.04 2453.49 2054.76 43497.77 43002.19 43007.66 43450.51 43005.87 43004.73 42995.01 42993.5 45190.06 Gln-Val-Ile-Asp 7284.51 8397.69 10683.61 5574.17 1387.14 3218.29 1146.7 5669.94 18178.22 3071.18 12704.01 4177.77 5430.7 7175.37 8499.93 1717.54 2701.64 1074.02 3843.37 1828.73 10201.28 732.55 5636.27 8303.55 5054.42 3489.64 2814.93 3147.24 951.24 7182.02 4356.81 1180.96 2125.57 8140.08 9799.78 4487.79 5051.33 5161.58 4378.18 5116.74 5724.6 3876.46 6917.73 13141.4 3171.6 2347.28 5330.45 2582.46 3330.71 3967.21 3395.88 7268 5807.3 5501.69 7786.14 11455.57 10371.31 12784.12 4658.12 2421.56 6379.66 1484.78 22159.65 6670.84 11322.47 6984.94 8080.38 4954.27 4698.26 2990.63 3944.29 588.85 11969.64 12338.69 4879.91 115884.46 81115.27 130836.55 103358.23 123658.25 64235.13 39006.0 159466.81 111450.55 14188.83 13758.47 34927.02 37203.52 143196.27 22624.44 51912.27 37860.25 134179.06 67960.53 26619.76 79381.06 37590.43 51618.17 80219.3 218500.88 5740.45 5446.54 5419.15 5523.22 5720.92 5430.06 5606 4142.75 5737.32 His-Arg-Lys-Glu 5240.75 7408.57 2237.37 2342.6 13479.13 3573.16 1559.12 15304.73 19923.71 12742.7 1201.64 3059.17 888.9 1326.33 4375.95 13279.88 504.95 13683.45 10910.89 13184.19 9752.59 7766.15 1256.57 1335.61 16583.67 15020.76 10426.8 5526.31 10896.56 7006.83 851.59 19279 12865.71 3085.93 1159.54 10892.44 8508.02 3682.65 865.77 2615.13 1913.82 17351.51 4271.36 3122.06 18413.81 3876.09 10605.85 6067.89 4628.19 4072.52 10329.94 4607.7 1647.11 4192.22 10627.43 9697.51 894.91 1137.51 15491.99 10067.28 2703 2155.93 9852.17 7372.08 2684.23 17482.29 13015.16 9591.36 3021.3 11219.42 5690.55 11278.85 1658.99 861.84 1253.1 5625.76 4640.9 5630.33 6682.42 5619.37 6310.45 4633.29 6087.53 6845.45 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol 42618.81 32251.17 18224.51 18870.69 37188.92 17101.74 21086.73 69949.92 108869.3 29214.45 44969.65 17266.94 20342.79 28859.49 54402.39 40320.18 19657.48 22942.57 98022.45 85159.98 71097.92 12449.68 27532.79 49385.61 73732.68 49490.66 56432.39 37388.79 41896.34 23165.76 34377.71 51942.71 24934.37 41618.66 42587.9 73230.74 40407.24 14105.28 26160.59 26934.31 40660.81 46711.01 43155.77 16380.42 45969.52 20072.83 69421.62 17667.77 57944.79 67528 26212.79 12849.64 24677.79 33270.12 38190.01 31020.3 13115.18 13825.82 18219.85 8572.58 25242.46 6528.67 57085.75 39079.8 19287.99 34012.99 25832.83 28358.64 25743.87 82013 59485.47 44584.04 37540.22 24990.35 17962.53 35469.08 35257.4 34495.68 36152.21 34879.22 29567.87 32938.91 35414.31 34629.75 Ala-Ile-Asp 1043.27 2065.87 446.2 15982.8 36201.01 2155.79 18882.52 36441.17 36671.07 9182.24 2728.73 3958.5 1796.35 1936.72 6095.29 2410.01 1501.88 27160.85 2853.87 35345.94 4947.28 2947.78 5229.51 10749.64 47121.57 4786.54 419.66 1893.84 1200.18 5107.34 4546.13 16047.19 23064.64 2493.22 10572.5 15797.7 24418.75 3518.64 2509.72 15594.69 5292.55 613.31 14700.32 3558.01 19115.78 12622.47 22516.76 12426.36 11759.63 10891.02 8388.1 9263.91 12687.37 19495.73 20915.8 21012.46 22239.71 14441.02 13883.85 8916.18 10783.52 7824.54 28760.27 54164.21 20298.63 15051.93 5365.49 5615.41 14681.35 28319.83 31656.22 8295.42 15019.13 29033.36 13534.14 20705.07 21883.44 20343.71 21706.81 22935.06 22047.95 23623.14 19901.46 19280.82 Ala-Ser-Arg 7525.05 5500.33 411.37 457.12 19425.4 726.24 2880.5 8004.62 10893.24 2203.61 2319.58 9266.19 1781.44 1992.28 16434.03 6654.02 2671.19 6673.12 4715.54 5973.23 404.28 2635.91 1189.45 909.49 7076.43 7396.12 4294.56 3442.88 4305.03 3129.37 4160.16 1840.66 17009.38 2285.61 1618.69 6375.08 2614.67 2248.8 1705.44 14325.15 2501.77 727.13 4282.28 893.53 532.55 10091.98 2114.06 2040.07 3542.98 511.69 3365.21 4638.15 413.9 9753.81 11649.73 418.67 4701.95 3459.17 4818.18 9703.75 1262.26 1479.28 7253.48 5397.4 4335.6 6370.2 950.59 1399.54 3824.94 2358.23 12346.86 2831.75 589.63 4435.54 620.85 4333.85 3746.6 3420.86 2945.35 1993.11 3004.91 2182.26 2394.85 3351.8 Irigenin, dibenzyl ether 22644.27 26931.27 11251.54 16294.02 20761.64 25556.77 27897.75 27362.33 25377.92 32461.78 20403.7 24098.76 27580.79 27235.81 26726.12 23042.62 17137.85 24323.87 27541.91 17984.89 23098.23 20139.71 17563.09 21611.63 22958.22 25919.37 23443.86 22166.68 24901.05 13048.71 23742.67 27327.49 18681.72 26049.3 21692.6 29254.86 26303.57 26573.23 24383.48 25825.4 25986.47 39578.94 24026.1 21626.64 26692.02 25744.21 21875.01 26236.64 23157.19 27176.67 26577.03 22654.52 20882.57 24722.46 20663.08 25905.03 13559.55 15273.09 22699.65 20654.1 16198.86 19648.65 24274.43 19884.3 19118.14 27342.85 21926.62 24142.33 24012.68 22352.87 23010.22 26900.63 26037.27 24222.89 23095.99 25845.26 24857.17 25000.64 24721.95 24459.26 24725.97 24733.76 24838.96 24887.85 Trp-Ala-Arg 64736.53 80509.59 81637.15 73653.42 172020.54 264279.07 154753.4 72750.14 81426.98 58195.62 70736.18 85118.9 88467.25 134862.02 74246.27 205213.54 56344.5 153094.69 186911.1 156150.82 97776.48 66391.5 49325.82 106637.58 81851.59 100571.82 91834.11 93947.67 180781.44 56557.63 174603.54 162753.85 49909.46 150413.2 111413.82 80782.24 66028.54 80469.82 113117.62 68187.41 78755 109416.34 134848.45 60646.71 112330.9 77584.37 137547.52 132415.99 75433.73 183584.79 74985.38 89257.44 82716.96 121279.83 61342.9 95135.83 52247.49 125118.09 58167.98 77787.4 43942.72 40813.88 66972.6 162186.17 124300.53 155529.9 98207.22 49594.45 59739.96 69607.9 65091.96 135148.98 126111.39 174666.3 81785.62 113274.29 107717.98 113941.91 113691.68 107355.95 112423.23 113564.13 113588.25 110612.21 Cys-Arg-Leu 6432.79 10317.58 6449.1 6712.61 9996.65 6266.54 6499.46 7927.06 9125.5 4647.31 5737.45 9080.65 10500.96 8210.88 13452.68 13790.85 7515.39 17899.7 14302.75 22577.15 8365.77 5000.41 2935.97 8411.3 6336.36 8058.23 5748.03 4634.53 12187.49 8521.54 22833.2 24095.22 4170.44 5118.48 4136.78 7449.23 5167.43 588.99 2395.95 5874.1 16954.04 14721.26 6238.05 6071.75 11945.54 6509.27 10449.03 9725.73 4779.85 27686.01 491.65 6370.87 6136.84 9590.07 9177.41 12066.8 7509.86 7142.51 4874.17 6625.17 6119.84 1072.15 8821.54 6691.74 6070.38 10868.03 15269.22 5011.87 8017.34 7641.05 6064.14 7164.2 5707.61 10250.55 6861.97 8306.48 8311.34 8309.06 8167.5 8188.79 8308.32 8732.13 8194.25 8271.77 His-Leu-Tyr-Lys 19350.84 21888.94 12450.55 16195.74 35624.88 42208.36 25199.25 21862.07 27090.81 20224.44 10994.43 4833.6 5093.55 5208.2 21817.59 17506.03 11174.94 21488.16 19631.99 28978.77 22636.86 12613.51 12929.78 20330.43 22533.18 25598.5 19301.87 18054.95 14685.07 7581.04 29379.97 20193.61 18349.73 24831.79 13193.24 8648.37 23025.45 22991.41 16467.08 13406.34 44560.81 33437.81 13944.23 10616.4 32793.95 16537.24 16427.99 8527.18 6506.32 7101.3 20765.91 20042.03 7973.03 15899.16 16372.88 21608 11086.41 8673.33 19576.21 17136.8 10882.36 17376.21 19803 11895.52 12395.87 22643.66 27623.8 12084.22 10174.37 19980.16 22201.97 21978.57 14048.12 12955.93 16522.08 18478.77 18517.45 18295.05 18424.5 18438.95 18299.76 17250.53 18428.15 18519.62 Glu-Pro-Thr 24738.99 20418.62 16139.05 10272.58 30283.94 28752.12 8742.44 28433.08 35290.97 16859.5 3268.45 5328.47 8593.5 5012.51 29962.09 11293.2 6321.12 21840.56 15513.51 26489.16 29599.27 12731.9 6935.32 11201.88 30054.97 19522.99 2322.02 1904.41 23476.34 9305.39 28555.12 24730.12 7226.27 4544.48 3019.41 24775.14 30750.34 3731.36 4796.33 5597.19 24916.23 26926.76 2031.5 9195.22 23068.1 18950.28 27119.84 3452.01 1019.06 2436.69 11776.11 24777.07 12126.2 8340.38 5958.69 20851.01 11378.93 11167.83 4327.24 9620.26 5177.54 3579.72 19900.08 10673.06 15139.15 25188.59 27662.61 4648.71 4789.19 11797.66 23645.9 17951.31 11224.67 10089.78 2168.43 14665.42 13001.59 13661.86 14517.39 14359.2 8408.72 15358.52 14747.86 12921.7 CP 47,497-C8-homolog C-8-hydroxy metabolite 726.86 528.4 1060.08 1190.76 1094.82 423.06 2008.72 525.34 1557.98 468.72 530.34 843.94 1726.57 559.89 1185.37 1454.07 1522.17 653.53 2014.75 1670.11 549.46 370.48 430.45 830.63 906.04 3024.26 460.33 9821.35 818.16 1190.74 554.84 1017.23 9288.8 1738.05 1842.37 1396.45 569.35 1952.29 2007.45 2852.97 1653.64 3910.07 583.32 1665.26 1290.46 4785.6 845.09 1286.39 2963.25 13011.07 2934 1093.76 1222.55 3664.08 2324.8 902.83 906.27 516.57 841.23 1515.06 842.21 841.48 1066.89 858.65 905.82 1406.6 1794.69 1234.88 1266.29 1370.36 627.35 1232.99 1569.71 1311.52 3385.38 1913.37 1828.39 1804.16 1822.05 1897.44 1707 1903.79 1898.33 1817 Lys-Lys-Ser 1086.99 6543.6 8879.08 723.43 28209.14 8583.09 2081.92 11188.21 14165.73 6005.29 7867.07 11115.05 8400.77 10142.52 9004.55 11962.91 4916.39 8701.63 2605.34 8877.66 12136.11 5757.38 5085.48 4594.85 11641 9498.53 5560.81 4250.47 9429.03 2767.52 7195.45 12117.1 6225.13 10485.31 6345.39 6328.32 9132.96 8422.09 3557 3891.58 9493.82 12392.85 5056.14 6000.54 12423.88 13894.37 6996.62 2716.8 5063.28 10382.43 7838.2 15424.74 15283.05 5884.05 9848.79 7572.34 4476.89 4434.24 9538.86 6944.84 4720.92 7715.99 18798.41 11605.05 4558.81 14626.7 16705.27 6325.75 4995.9 12414.99 7870.14 8222.37 9248.81 8333.45 7299.64 10200.06 10283.22 10167.6 10159.22 10288.85 10221.09 10411.21 10165.51 10288.1 Penicillic acid 8460.76 5576.51 6612.3 8226.94 8064.45 8332.07 4772.96 7293.78 7224.34 7103.1 4591.63 4015.73 4222.23 5721.93 7017.38 8295.03 6784.53 2034.31 7974.79 12581.47 7917.51 3104.26 4021.34 7735.29 8657.17 8229.69 7856.14 6937.36 8625.19 6918.73 6162.69 8740.76 5440.28 7196.89 7989.63 8049.53 9090.28 7068.18 7704.81 7032.08 6730.06 7842.3 6425.82 8202.12 7502.86 7323.47 5876.07 6321.68 7475.41 6589.62 6683.39 7754.58 6974.11 7611.18 7353.92 7143.16 7696.54 6808.54 9473.15 7416.56 6511.66 6424.53 8312.1 6078.53 4054.61 7105.13 7505.14 8244.02 7435.94 8111.53 8024.96 7531.8 7099.34 6639.3 6639.19 7110.29 6568.41 7369.94 7253.26 7253.53 7104.09 7248.05 7103.61 7137.06 Pro-Arg-Gly 7453.25 7545.77 6867.62 8685.84 6300.57 4935.78 9922.57 15180.87 7590.17 7007.7 12651 5977.87 6320.4 7906.75 8663.64 7282.43 7028.28 10934.91 7776.43 7438.87 10069.19 8086.94 6237.88 6364.13 6325.62 1854.62 8354.2 7176.51 4612.48 6674.92 2904.76 7456.27 6721.2 5195.75 6218.77 4591.57 5840.99 7783.47 6622.79 5354 2533.17 3246.9 7581.15 6504.23 7788.82 4967.54 5262.08 3629.31 8510.16 5362.19 7648.66 5689.38 5834.44 5665.2 7190.12 5700.97 7443.22 5015.52 6999.93 9895.48 5996.09 8852.77 4647.87 5319.98 5301.24 6198.38 5949.15 7578.91 6426.9 5271.15 7264.87 7414.66 6508.22 4333.49 6412.84 7332.79 6671.35 6329.01 6278.05 6712.59 6256.7 6645.63 5156.12 6829.25 Glu-Lys-Tyr-Leu-Gly 252153.65 176994.37 49168.48 207997.6 184180.74 440817.47 3691.02 547314.48 445869.17 380664.89 180912.14 358434.71 340741.95 191656.5 428983.57 663539.11 101494.65 329094.23 496498.64 285087.51 358191.74 181364.24 253474.94 260355.96 434603.19 293375.9 149591.57 95888.1 874168.05 389253.9 340800.33 868929.75 426761.18 302228.88 92423.72 558334.29 372426.03 187337.36 155230.18 124367.65 182140.73 650330.97 120504.42 59662.74 352401.44 219405.58 315324.62 210656.88 478839.16 725823.07 304237.44 249226.56 117978.71 242445.85 455703.49 207950.69 64465.19 180584.6 478305.91 192699.76 110013.46 215937.58 160206.2 286971.12 102462.37 347750.02 353609.02 263121.46 242201.09 342871.42 234316.06 329706.91 251885.66 137717.4 136787.06 338453.63 337725 340766.72 359857.25 331629.81 326679.56 336284.17 340095.44 337554.12 Gly-Glu-Lys 2587.29 8085.69 8973.47 4302.04 4961.33 23005.34 4863 6444.12 3776.01 3629.35 2947.79 4470.54 1952.23 2008.74 2067.44 3679.3 1076.09 3559.31 2643.88 511.78 3875.84 24496.34 11174.14 1208.49 3523.36 7196.45 581.34 687.95 1629.69 1028.42 1794.74 8092.87 492.54 6099.61 2881.25 2964.91 2378.46 12632.69 1666.54 4547.82 5830.84 12361.54 5105.31 3233.4 6816.93 4490.02 2670.63 552.19 3754.52 7559.83 8761.85 5610.55 4547.17 4894.17 837.13 3285.53 2410.8 3849.93 3014.28 19664.67 10070.91 7127.39 9822.73 1778.71 2799.41 4575.95 4921.9 1104.53 958.58 4862.03 2929.34 1895.92 2353.57 5446.06 627.67 5411.14 4111.01 5936.29 5259.24 5513.3 5496.84 5365.51 5535.76 5521.9 Arg-Tyr-Arg 4125.9 1112.19 1003.78 1243.38 2181.09 1948.28 2271.32 5678.65 11899.56 1590.85 1152.5 2735.44 1508.37 706.83 2083.18 319.46 282.43 852.66 2746.7 2883.74 4657.05 1265.33 407.16 1023.22 4026.34 549.06 1187.78 3010.98 3756.15 1077.46 1181.08 306.68 1094.58 2146.29 617.83 1592.94 1976.44 1521.37 1187.58 535.36 3143.98 8617.46 1220.49 386.6 3394.72 1794.4 5680.93 1349.43 2452.2 2739.2 3249.24 2404.28 2408.32 650.77 2729.61 1698.89 922.82 1456.27 1037.99 707.01 919 289.95 3360.09 3002.12 2068.54 4624.55 3289.2 618.22 2188.65 2377.58 2804.56 4485.95 2630.16 1323.27 1623.99 2626.74 3156.82 1841.91 3491.42 3342.17 3289.79 3459.11 2806.94 3352.42 His-Cys-Tyr 4948.92 1048.13 1206.84 2186.78 3583.33 1386.36 3884.21 10693.68 18968.61 6830.2 2267.37 2843.71 2881.44 4450.39 5650.08 3571.98 1149.15 1815.85 1274.16 18660.18 8131.49 1058.64 3205.24 2562.65 16471.15 2727.22 2737.48 1465.94 4010.12 3957.67 16955.54 8727.09 6110.73 816.35 4440.47 4243.29 12935.36 3604.12 3400.75 3337.62 15488.46 6130.26 3897.84 2447.58 6514.47 969.79 11085.56 4957.6 4025.28 13905.26 6265.75 6053.07 962.4 1967.67 4249.22 14221.58 2164.8 3279.57 14481.45 3134.02 2597.47 1177.67 6614.17 6037.22 6385.01 11399.01 18913.34 4068.89 5786.56 10795.74 12368.61 1140.68 1850.85 3516.85 2962.78 3079.26 5523.92 5756.21 5750.63 5710.25 5340.16 6164.96 5380.59 5246.68 Tyr-Pro-Thr-Val-Asn 23560.47 16479.06 22721.5 6349.12 14440.11 37446.59 15645.32 11652.16 38203.85 29377.62 54062.96 55317.73 53877.73 63587.07 45877.87 18481.52 11410.64 7830.94 123125.14 26462.75 35267.67 16945.49 46069.01 66697.82 8987.09 18843.07 29201.98 43055.55 34349.19 64949.4 34038.05 79364.73 22564.42 72248.99 28906.84 32447.19 36351.52 24671.35 38691.76 30351.39 43940.96 46374.83 48896.93 25723.5 25443.76 8608.41 35081.67 93671.18 78321 120398.58 26781.34 28834.38 74476.51 31631.04 15001.98 24181.67 18667.93 48416.14 26500.66 4836.17 50278.67 23663.92 25810.72 92154.62 61452.21 25633.53 43875.72 67236.87 66842.19 26121.8 19344.35 68352.44 35102.67 39723.08 38315.91 48607.2 53345.89 45072.76 47875.73 45304.9 43535.9 45087.3 43126.51 47612.22 Trp-His-Ile 726.85 1056.65 6211.07 1583.17 1315.33 3802.29 2329.14 4799.28 4124.91 1075.34 387.07 3223.76 15451.04 1777.02 1277.59 7170.32 1096.34 1902.43 1185.62 3569.16 2584.61 2310.23 9955.76 3525.01 1209.61 1451.61 551.7 2469.76 2134.24 1650.98 2418.95 3732.76 1517.04 5367.35 3093.63 2353.04 1024.72 2098.14 3681.66 2290.35 3862.59 6937.03 1862.12 1435.51 5365.2 2230.77 5196.3 3168.54 3320.49 1221.16 3299.28 1847.03 3742.89 4632.17 2637.55 4635.69 3064.89 1278.11 1779.18 3163.42 2331.34 1512.85 2941.36 3406.26 2243.08 5666.57 2869.17 3166.95 1784.78 4795.59 864.16 2437.3 3972.22 8406.73 3010.03 3660.2 3497.5 4169.72 3663.39 3206.33 3362.24 3188.81 3834.33 3232.31 Glu-Lys-Tyr-Ser-Asn 49680.99 38505.32 41833.44 1038.84 38269.38 58661.82 7599.67 64732.46 71616.24 61416.68 64165.3 124387.24 2576.7 81093.64 49395.3 61890.92 24879.42 1734.7 108261.37 65921.37 65172.83 29343.67 57062.05 73192.15 53440.28 53395.16 48324.48 80076.58 46842.42 84351.44 65835.83 118913.02 36158.54 67087.37 51014.01 46380.94 70158.75 43717.16 79441.52 68979.94 46542 129997.73 73931.35 48543.53 83854.45 31515.16 63130.78 75288.34 61989.61 96314.13 48904.99 44202.22 66025.79 32329.48 20955.19 30681.72 30140.41 39271.25 55536.38 10666.3 49986.37 58501.54 29656.82 68191.27 51110.31 42861.24 64727.68 61457.73 58469.9 59245.37 49580.47 88763.63 86983.88 55283.82 42682.66 62137.95 61570.76 62196.18 62592.9 63260.45 62664.35 61566.75 61566.23 62034.51 Asn-Lys-Phe 473.22 342.42 587.91 14891.73 56559.85 68362.7 51361.3 2205.02 355.48 81.76 256.17 932.88 7863.58 583.22 34.03 6618.94 1013.76 38.22 234.88 32.12 734.41 60.58 277.21 32.3 809.74 692.82 861.97 441.17 676 490.68 107.12 1497.11 88.68 549.09 71.51 42.3 80.34 2149.52 389.91 67.95 37590.85 3322.28 140.5 25.07 62.47 5523.66 52.38 53.66 45.34 137.37 985.81 1139.53 384.79 1039.15 1316.64 68.02 25.95 28.66 1081.46 5389.96 845.61 2210.62 1384.89 90.69 926.79 1181.67 101.07 202.59 108.87 77.09 42.06 236.34 805.25 165.14 2355.14 12925.05 12646.66 12509.58 12632.84 12590.13 12613.39 12570.93 12504.8 12272.78 Val-Tyr-Tyr 2240.77 1439.17 3454.3 624.41 31772.19 17770.42 3284.08 7225.93 8947.47 3378.81 909.11 1038.96 2900.66 3118.65 23696.1 10858.35 8301.57 2052.19 6583.54 2711.87 5971.64 7511.28 1022.32 4258.62 14593.37 9471.33 3021.87 2667.68 4892.19 1878.75 4820.66 4302.55 3955.2 4623.06 1852.33 1068.7 6003.52 5481.3 1225.76 2660.52 3703.67 10452.55 3162.65 2454.98 13634.62 2031.96 11147.79 16567.41 2422.09 14929.18 9081.97 18732.81 3545.09 10855.82 3774.12 24178.72 1141.38 7474.99 5828.81 11750.09 3746.71 2063.54 5383.05 5042.3 4456.51 9495.75 6607.25 3205.95 1068.17 7476.03 12406.02 12585.35 2471.12 8602.38 7016.6 6152.26 3857.02 7502.73 5798.46 5387.79 7042.18 3993.28 4618.61 6010.79 Gln-Gln-Gly 790.82 8955.18 7302.07 4908.17 1374.75 24117.42 4907.09 546.25 419.6 1494.07 468.72 412.5 556.51 486.25 378.17 569.23 1152.89 315.46 1508.18 864.68 849.33 17146.21 4882.12 262.67 462.8 684.91 723.56 163.82 558.3 236.95 1177.83 1437.28 2397.95 1608.72 699.42 736.6 346.5 13289.41 269.31 2367.22 565.48 570.41 1753.41 326.11 389.64 1405.55 4155.16 1336.17 299.09 881.23 1657.25 1420.45 472.25 327.58 323.9 6680.7 2612.41 3788.58 198.27 13541.89 380.5 10494.41 1144.66 9508.59 5287.08 1544.28 964.04 529.75 181.11 424.8 2311.93 10463.97 563.86 10885.86 1648.9 4354.42 3924.95 4970.05 4251.95 4175.27 4157.63 4300.69 4120.06 4623.99 (-)-Bornyl acetate 5979.73 4143.5 6234.08 5729.07 4160 3793.48 7695.7 5696.76 5338.64 1553.53 4119.73 8516.2 3293.12 4401.77 5485.47 5377.86 4164.9 5831.48 5950.42 6286.52 3679.24 5788.7 4127.53 5615.15 5098.84 5057.94 4523.52 3661.76 6127.29 13843.86 5036.48 5731.9 5117.72 4096.92 5539.09 4401.46 5548.14 4645.05 4598.38 4275.63 10514.7 8549.58 5667.07 5747.01 5966.81 7149.18 5481.3 4511.5 5646.44 4670.53 5463.74 4430.08 4531.45 5416.42 5512.75 6176.86 3752.26 5350.44 3927.91 8655.68 3519.79 4658.08 4748.66 5773.2 4240.44 3687.21 5356.09 4015.75 5763.18 6993.2 4378.76 7266.8 4688.5 5386.07 5481.22 6789.08 6645.98 6625.83 6795.82 6813.74 6647.12 6798.19 6798.7 6801.55 8-iso-16-cyclohexyl-tetranor Prostaglandin E2 126807.28 26033.58 1162.69 13247.13 40942.38 18249.57 17257.26 45016.3 40687.33 22963.3 26899.31 27356.96 68458.1 36035.36 684.61 3046.09 2244.71 20612.62 26762.41 27583.46 6158.24 667.92 575.48 20349.49 21783.91 39474.19 42345.36 27993.79 33125.55 882.2 25421.33 26599.28 2226.9 36284.18 6245.68 31475.36 34158.88 25691.29 29887.62 10376.67 16738.59 83226.68 9043.59 24302 111833.75 16597.33 15416.5 9156.38 14132.51 32468.08 137669.24 16611.83 38174.26 26501.58 25228.07 16256.72 4145.28 749.89 23257.4 9533.95 35000.96 34601.54 29469.4 1263.33 3015.31 52403.5 33444.55 24609.65 22107.81 55092.98 48452.11 40823.21 12676.37 1706.98 15150.36 22480.41 20745.49 22424.39 21867.23 22451.95 22064.03 21730.53 22431.43 22470.79 Arg-Gln-Arg 8816.42 7025.97 5502.87 7613.77 7685.88 173.93 252037.49 9296.89 6617.29 6298.61 5766.43 5116.41 5356.87 6525.34 6339.89 7809.16 4492.27 6741.61 7996.21 9067.15 6128.7 4076.03 4224.83 5983.7 8491.25 4312.92 7365.47 6290.95 15252.53 7735.56 7823.87 16343.89 3951.26 7764.08 6627.06 10244.35 8166.06 6810.39 6144.03 5841.65 30229.13 10557.25 5474.45 6036.83 8817.37 12675.19 9951.49 7214.48 6475.08 9371.56 6866.94 6391.2 5390.03 5634.36 5771.96 6991.21 5527.93 4650.38 6178.66 7503.41 5720.6 5617.78 1271.42 5823.37 6019.51 7537.99 6790.63 6425.48 6656.79 6518.87 6389.97 6646.07 6085.59 7832.94 9555.93 29940.03 28011.99 27427.98 27187.03 16687.37 27260.43 28423.4 27392.62 28430.98 Phe-Asn-Asp 3460.1 6667.09 3818.59 4575.67 1536.83 1556.94 4829.36 12122.67 11365.27 1743.06 2384.76 728.12 6728.14 6824.71 8007.79 1228.68 10352.31 28564.99 8667.29 22784.9 8110.96 3798.9 2219.18 4412.21 14208.8 8062.14 634.03 930.05 9388.86 1206.72 28627.57 18340.62 4686.39 6485.01 1205.88 16323.73 4615.09 2621.78 2546.03 1745.84 10181.24 2847.16 3973.38 5318.22 6885.81 1549.22 4854.36 6445.17 973.29 26553.64 2869.54 8255.35 2774.2 921.2 1715.13 24262.44 4339.25 830.92 6892.25 5441.41 5446.77 1656.05 1866.18 5138.22 5390.57 3312.42 12260.55 1537.56 3417.78 13264.76 7332.61 1561.25 2932.28 2865.19 1578.7 5723.79 5425.64 5599.11 5218.19 5598.18 5540.53 5362.74 5471.32 4327.37 Glu-Tyr-Lys 11329.63 2824.87 2037.27 1857.06 4710.43 9243.16 2359.86 3247.62 8648.16 1736.07 6393.71 1978.52 1761.07 736.6 5500.48 5339.53 2328.86 908.48 3220.13 7698.77 3577.56 12039.17 6793.52 821.31 12185.2 7783.5 3052.95 1619.57 7355.8 7205.28 1485.77 11741.43 4132.52 7534.61 2998.42 11474.14 9857.11 6808.21 4715.2 6188.48 6630.24 10801.24 5487.07 5389.79 9866.01 8691.39 7456.2 6037.44 7195.18 3316.53 7729.2 5501.71 5142.48 11800 5385.46 6305.25 3174.63 3438.1 7119.56 9223.22 2632.75 3976.31 5748.88 2342.5 2761.19 8602.98 11184.52 6630.43 8431.14 7562.96 7355.67 1382.58 6302.23 1587.86 7353.81 5377.63 5392.6 5548.46 6171.91 6402.72 5649.53 5137.07 6200.65 7206.25 Oleoyl Ethanolamide-d4 217755.4 291917.34 259627.54 219380.6 178253.48 246348.49 203108.47 223770.22 196725.03 301585.45 134235.51 138041.9 185302.62 260554.6 244739.56 238093.71 309586.94 203228.06 190063.69 201235.47 214361.12 189668.52 172059.06 219024.24 237869.83 254479.92 243233.8 228745.22 221361.76 404254.58 197197.04 232099.48 160795.99 211394.94 227942.97 296516.67 223452.02 223705.98 289117.25 406944.55 323343.37 236805.32 261668.44 248372.22 196235.9 175132.92 227543.48 272783.88 92897.38 188993.65 207937.68 252600.64 226024.47 209412.42 325602.65 254698.96 289590.4 275922.74 256764.32 241316.07 362576.35 293507.95 245994.43 252193.27 185476.11 283636.45 281880.83 286372.47 413129.83 245471.95 201055.47 264531.81 185980.09 140879.38 235979.72 192382.01 137695.87 166919.08 149696.31 162288.47 145492.45 159550.35 175320.29 162259.86 177007.8 145785.58 170793.66 198295.53 179240.27 168455.31 154638.21 197842.4 191938.26 178714.68 162827.06 169939.16 168586.44 171170.32 102188.18 188531.66 243568.99 244628.89 244421.39 244413.88 243584.57 244145.37 243572.96 244424.87 243586.75 7-[(3R)-3-[(3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid 142181.93 160516.93 223523.17 162218.89 65824.34 77320.42 92493.69 211157.22 193509.45 177221.55 153861.55 142701.06 123313.63 169382.43 185085.56 216614.83 214390.4 155820.86 247475.42 169137.05 207251.19 141360.71 208996.22 196748.14 199530.68 143399.42 163267.38 151558.76 225777.26 185473.69 112102.42 169269.64 199494.32 197448.98 186422.2 208872.79 186089.59 145286.33 179204.46 186582.82 129831.52 159114.52 207354.36 151887.53 153631.61 154352.83 190037.98 231005.56 217750.52 175916.14 149469.22 199445.27 202253.74 181892.16 200636.75 180921.26 199655.92 183864.52 198561.86 140229.63 196050.74 181865.44 210626.45 245270.76 178293.99 172360.07 151217.6 169380.17 155358.78 206407.13 172935.39 172151.63 184855.67 184481.03 175981.4 185577.55 183384.73 183352.32 182298.91 182614.42 182339.33 180875.43 183388.44 183131.26 Trp-Ala-Leu 1150.57 7581.75 4723.11 1826.14 9902.82 1983.84 7724.03 527.17 1920.6 1189.69 863.06 1798.88 3661.16 406.48 1236.14 2531.33 507.52 1860.7 1008.49 1196.79 929.43 1607.44 2619.18 1583.42 356.64 1665.45 645.97 927.04 2396.84 783.84 1460.01 2202.42 1638.14 1664.71 372.69 460.01 1104.97 2558.21 2531.26 7024.65 5159.18 3596.49 2627.39 5461.59 2384.66 5159.55 1735.04 520.54 2151.53 862.79 444.73 795.91 1603.87 1690.19 7768.88 4470.32 366.5 2427.2 2505.44 1577.76 716.69 2819.73 2745.85 4883.39 12721.92 1479.38 2391.55 3559.54 874.87 1958.32 1256.85 2111.49 1451.84 1306.87 1062.75 2831.33 2627.52 1081.33 2880.5 2654.34 2633.71 2827.23 2821.44 2634.61 Aminorex 5151.13 3540.89 2699.91 2199.21 5972.7 3170.31 4825.69 12914.25 5362.56 4614.73 4136.97 8669.97 4090.28 1907.36 5460.1 4856.53 2789.88 3112.02 4997.65 2992.75 5965.11 2249.57 2948.12 3657.54 6945.25 1316.4 5949.08 4741.57 9722.45 719.5 715.77 8611.73 2338.12 1165.72 4357.17 10974.68 3528.49 2727.66 4465.31 2975.49 2344.4 8093.38 4331.67 2288.77 3771.51 4036.38 6365.5 7120.44 5815.12 5530.53 2986.06 4091.41 1828.79 3369.88 1630.56 3432.99 2565.5 2893.49 4213.88 2369.86 1020.98 3054.58 3167.51 2557.48 2514.46 9394.25 6454.95 6963.35 4405.67 5677.95 3477.34 7024.35 2204.93 2166.24 2727.05 2788.79 2595.72 2013.92 2344.08 2886.89 2849.92 2890.5 2800.24 2432.53 Spermidic acid 128408.86 35058.51 42280.32 25673.61 83935.35 146281.33 36293.52 104202.69 63031.52 52693.04 38425.96 35617.43 71855.85 29825.89 159489.27 77295.96 23199.95 24735.3 37442.56 106100.76 48413.11 60480.8 21900.24 55108.05 33391.34 51632.71 11054.54 23488.74 149150.61 27108.84 67889.55 699.42 55309.69 91946.9 56460.37 37186.96 32190.6 38055.17 44462.89 8193.06 58455.85 145311.75 13378.58 10856.64 72194.62 44006.74 31186.8 13350 34436.27 36050.36 182325.05 98221.56 43133.35 37945.17 57728.65 101338.07 10386.26 1476.67 69595.42 89677.92 23812.26 64521.99 116250.2 43161.38 17777.09 63259.54 22254.48 51137.62 18454.66 51348.04 17628.36 39024.87 4979.38 5197.95 13617.1 55766.8 54831.88 56420.49 49857.79 40777.78 49419.88 55313.3 55288.62 51908.04 His-Gln-Arg 1771.92 936.52 2808.09 10000.74 4502.62 5572.08 2617.89 3927.76 1980.17 5627.17 2185.04 3612.69 17795.06 11669.38 1333.07 2655.74 913.87 2725.06 2106.94 1702.05 1280.98 1353.39 582.14 3432.58 2260.29 3523.38 1689.61 10079.39 2552.85 828.51 1446.06 3715.03 997.44 7588.79 3832.56 5148.14 3367.66 5596.97 7606.65 5917.81 3796.69 7767.43 5851.01 6034.79 4063.44 12131.08 3227.48 7659.22 8146.69 8280.02 15511.71 4360.95 14319.24 12420.79 4341.59 2227.06 747.46 3848.17 661.38 2278.21 4126.42 1137.43 3184.6 5561.7 2302.85 2347.71 2462.86 3982.98 3126.48 3196.76 2858.35 3985.36 3191.85 2523 4261.77 3731.92 3579.83 4797.1 3884.03 2909.35 3942.19 4467.88 3589.18 3991.99 Asn-Arg-His 4425.35 10792.67 7507.26 2650.57 12250.74 7804.7 1267.95 7067.41 591.88 1159.19 789.31 3359.2 4569.01 3825.03 9393.01 1440.21 3471.98 4643.76 9285.44 6703.12 6643.75 2094.3 908 3667.36 4180.91 5188.44 904.48 4042.82 10554.26 1013.35 9153.98 6749.61 3377.23 8632.88 2003.45 5822.31 1912.99 4455.92 672.27 4895.02 8804.37 1740.11 4215.15 5729 7206.01 3013.71 7393.07 4798.05 875.93 3695.2 1825.76 6782 4711.44 2114.17 6099.91 11103.99 5685.06 3097.6 6316.2 1262.61 3293.29 2757.82 6291.72 2310.94 2966.96 2085.16 3919.54 1715.05 4897.43 4700.13 3863.37 3688.18 1356 1229.06 9254.75 4167.52 3316.92 3304.75 3589.76 3345.58 3578.04 3731.74 3200.54 2400.78 (2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol 955.31 5257.22 5290.05 24206.79 232840.12 83902.18 37861.64 6519.51 15170.04 2995.29 3817.72 6806.31 19095.47 6149.9 4053.59 9534.67 12268.5 1863.43 7349.8 18627.51 2838.33 7313.56 2341.42 5717.15 893.25 3459.4 1451.72 7308.4 18050.19 1506.43 1951.95 6053.73 5260.92 5255.51 6789.37 3706.13 2763.65 5471.32 4965.21 7346.79 28639.06 6253.64 6060.28 12668.32 7832.76 20975.67 3123.79 14004.16 2698.7 4568.42 5538.37 7514.23 4791.72 8913.85 12014.33 9789.12 10066.24 6502.13 7646.4 4788.8 5757.95 7500.85 5236.73 4234.1 7780.9 7688.1 17943.93 7664.28 5548.48 4533.86 10392.6 4108.14 5894.59 3291.42 2621.95 1056.8 5685.61 8379.75 1064.4 1529.53 7678.7 3070.17 25619.72 26259.76 9996.03 4170.92 11326.12 11571.28 20978.62 5310.77 9904.19 6319.94 2016.89 3680.33 4799.74 12073.08 8767.42 6278.23 8795.68 4971.95 15009.84 15132.75 16204.4 14691.25 14974.3 15528.84 15611.98 15566.49 14921.62 Pyrazin-2-carboxylic acid 50299.8 53314.09 47194.59 40731.39 44541.49 51119.62 39883.99 50184.42 53308.88 57680.86 45873.82 40926.32 35344.89 55221.06 48837.37 47620.61 57822.75 46382.46 41725.29 50918.1 45061.5 48965.78 41916.1 46454.22 42995.77 53319.34 50607.32 48509.29 49323.7 56820.18 48810.74 48984.88 47704.17 43659.86 46993.89 49119.4 55126.54 54771.96 46280.4 48049.8 59565.36 53789.16 47276.19 53921.4 50427.31 34461.82 52457.41 48250.63 42805.77 47680.64 44316.38 49881.39 42768.79 32955.58 45374.97 53147.92 54506.48 52649.85 54437.34 49232.34 67504.57 50088.4 48456.47 44050.2 44765.77 46199.44 57542.67 55177.77 51321.32 62006.21 62073.65 53689.68 48134.23 45309.02 42726.12 48911.53 48926.3 48915.43 49389.67 49104.94 49007.11 48363.1 49135.61 48909.62 Gln-Lys-Leu-Glu 2932.99 12153.81 1096.68 7066.04 5775.28 32341.74 7214.04 7889.34 6602.07 3309.87 384.48 1841.47 3485.5 2044.52 20046.08 1843.71 1904.2 20457.34 29999.56 45105.62 2395.16 29238.91 1137.16 918.82 695.34 24630.77 976.33 559.82 27196.75 2470.71 22974.72 13285 17452.04 496.99 1812.81 3370.22 4350.02 4193.01 575.1 1682.05 2734.9 2677.96 10734.53 701.33 11311 458.22 33121.35 16607.19 1002.12 21619.12 1256.74 16002.95 958.42 1045.94 4406.18 19592.22 4001.18 6497.85 12584.45 3210.74 1242.01 1638.82 19867.17 12540.17 9322.2 1880.17 20454.75 1118.96 2134.62 14798.75 8661.18 9713.45 1094.72 7004.1 414.67 5670.34 5126.39 7011.39 5811.2 6789.41 6323.37 6542.32 6127.73 6263.37 6154.43 6653.54 6638.18 6283.82 5625.86 5530.49 4881.44 6045.69 6148.19 6896.16 5928.78 5938.31 6963.66 6628.19 3928.35 5575.36 7927.87 10249.06 10676.56 10182.02 10064.91 10042.81 10414.44 10010.04 10390.96 Pro-Gln-Ser 15746.52 5565.95 5032.49 5033.57 34823.03 6488.89 12486.57 20111.08 3519.24 9172.71 11424.27 4414.54 41682.84 15852.37 8611.5 31302.88 6691.68 13036.08 22732.28 14684.16 15692.52 8310.73 13205.14 7220.01 8075.49 11832.35 17707.9 11902.66 8550.42 21590.94 11255.16 65217.81 14540.73 19631.81 2707.04 4716.88 9535.02 1867.92 3723.04 2987.82 3749.51 6897.92 6078.91 5372.16 6649.48 17188.91 15359.13 30818.95 29747.4 22861.84 26995.27 18353.06 14374.87 16786.36 6100.67 9983.86 3664.92 5564.08 10129.78 2728.29 10193.02 30618.21 4189.4 15713.33 3318.14 4561.11 6137.36 17820.32 1611.81 11084.53 1846.22 6483.39 8577.07 23824.35 13151.04 1935.94 850.49 1337.64 1287.76 2551.63 2165.97 1212.13 1934.07 1146.25 3792.85 912.35 1175.35 1773.05 3235.21 1234.42 797.17 743.68 1603.86 935.21 1018.23 1392.68 1631.81 1918.89 1273.0 1715.42 6677.47 6204.58 6115.73 7147.81 6631.15 2941.68 6613.65 5897.59 6213.12 Thr-Ile 34102.96 32932.15 17619.27 20567.39 34623.7 49475.87 34312.35 35152.82 39469.99 29302.95 20712.47 10437.71 27528.11 19895.18 31783.06 25413.52 16467.16 22510.91 19157.8 5883.54 29091.29 26500.73 20370.24 21444.07 40742.49 33972.08 33358.4 23036.01 32138.53 2345.43 16402.28 21816.76 13918.03 29289.91 15404.52 34468.8 29661.08 31626.78 24218.92 18336.67 24766.76 39938.24 23678.19 17956.65 19226.91 18707.62 28990.29 19495.61 9931.3 25391.45 22406.96 34278.75 24378.73 28842.05 18584.25 31228.26 11695.86 13168.46 26158.13 24148.62 16256.89 19053.11 23476.65 22432.77 1898.5 37134.7 22026.31 22981.69 22053.9 26443.26 27386.61 27697.58 20179.48 13451.52 25092.89 27225.53 27087.69 26974.71 27086.13 27050.29 27227.88 27712.84 27182.96 27032.4 Ser-Asp-Asn 3110.03 3015.67 1669.12 16571.47 63074.78 23516.55 16829.63 603.61 3334.66 1068.94 1754.32 241.34 21969.5 2670.28 4291.39 498.4 2690.6 2570.55 3220.55 1952.33 1692.61 14861.08 1576.55 4192.09 3168.73 2550.51 3483.18 3115.32 721.89 7927.95 716.48 728.08 1606.97 15816.91 9466.3 2881.68 1632.57 5973.27 1875.37 3027.54 9763.56 2091.15 1337.41 3253.18 814.19 30738.02 1247.66 5764.58 571.02 8720.35 7278.53 1275.57 1887.82 19651.89 13627.71 5119.18 997.3 1198.47 1908.21 6003.06 261.67 4866.3 241.36 2411.49 1433.74 8901.32 418.85 1131.89 4212.65 804.64 1847.46 5762.68 2654.21 10104.74 13050.09 6531.57 6593.87 6842.62 6818.29 6524.98 6840.63 6785.12 6695.88 6927.79 Gly-Thr-Ile-Thr-Thr 49460.77 51942.83 28172.24 25920.2 59605.06 69256.63 28438.33 58051.76 68958.71 51036.83 39099.81 50999.68 35290.46 32326.98 49987.55 61387.02 28721.5 32019.83 62180.85 90083.14 90967.17 58106.46 33388.71 39905.67 70475.8 80507.78 16609.48 40559.84 68727.48 43830.38 91498.76 62849.24 58790.59 61940.37 34997.87 60386.55 61763.3 47153.38 40316.9 27328.83 73600.56 110701.39 39338.41 28676.09 80078.78 48188.78 73722.24 31368.48 60425.83 66042.9 62508.05 39576.75 28526.14 31609.54 36880.46 36030.4 4683.97 12053.16 56413.32 37484.73 16289.96 21874.11 33204.77 34963.14 28011.26 68690.92 114697.94 30534.65 37819.6 76106.68 78178.86 84418.09 36587.62 46423.14 41976.64 54859.99 54220.83 54211.36 53871.9 53753.12 53763.16 52408.07 54219.7 54219.05 Arg-His-His 794.47 737.77 1858.02 1489.16 26880.62 3759.89 3837.25 2051.12 9650.95 5539.16 7159.14 2144.67 1453.35 2361.43 14243.89 20711.47 1397.46 23763.99 27426.65 999.91 1497.83 16833.46 4022.47 3396.37 938.55 883.87 10030.3 3682 1145.55 1461.65 6863.65 28285.93 8205.33 5286.21 5867.48 11352.36 10100.55 12427.65 377.98 2042.54 11909.62 6666.05 7933.17 3303.89 27326.41 3495.52 10954.45 3098.06 14466.92 25015.73 11581.07 8205.16 3336.04 6701.91 11773.31 5862.17 906.59 376.88 22526.92 15261.72 3723.24 4968.36 9422.82 9623.16 4803.26 13268.43 6745.13 4764.36 2864.65 8305.82 5934.25 11185.68 8446.22 4690.35 5449.28 9090.16 10025.27 8675.13 9137.35 8714.16 8177.68 9150.19 9052.05 7087.66 Ile-Val-Glu 360.58 544.36 3476.74 1011.64 13115.26 6646.79 1149.12 13320.08 24934.3 3994.48 737.81 989.62 2262.11 4439.94 1944.28 11070.48 1295.07 19190.93 3229.23 4243.83 2540.39 67355.99 2808.8 1266.62 15599.8 22004.17 9117.16 5830.31 3392.97 635.67 4272.51 957.01 868.64 449.83 20977.6 13621.6 35015.4 956.62 613.38 22636.38 8288.25 709.36 19084.92 2608.17 6629.15 7455.22 6307.42 4430.67 7591.13 1691.96 3000.86 5544.17 9814.3 13632.12 9790.34 6792.39 2961.95 7558.57 10167.42 2416.02 566.17 9637.52 12161.62 28526.35 16840.66 5326.16 1428.95 710.9 7076.49 6659.64 21836.15 13398.62 10845.44 27215.51 5469.57 12348.01 11633.55 11734.61 11181.54 11201.08 14424.1 11762.47 11133.48 10876.07 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one 4969.44 8855.22 2935.94 3828.33 20108.68 9904.55 9086.45 1403.2 4636.12 5661.89 3305.89 2461.89 5414.95 855.62 5376.58 10017.6 4797.11 2287.14 3745.76 886.38 5629.53 3266.97 1428.6 3362.8 3756.42 6395.34 2939.31 847.01 6290.95 1027.72 1812.9 1897.01 4708.32 3762.57 2112.51 2152.66 4043.15 2473.58 3581.17 8721.33 6401.59 2810.17 4133.55 2628.11 2885.36 3211.6 2237.84 2078.81 2726.32 3915.62 2824.47 2794.38 2558.81 3480.73 4295.93 7682.96 3513.21 2808.9 8165.72 6635.87 5084.17 2613.2 4370.12 5939.43 8872.7 5720.16 3610.09 3547.45 3756.35 6007.77 6202.51 1870.27 3281.56 2200.75 562.17 6110.05 6426.62 5084.26 5804.32 6585.95 6421.68 7460.15 5900.26 6323.31 Arg-Arg-His 6332.38 3946.77 11963.4 10240.55 11623.77 11951.21 14000.59 8784.71 9181.33 11675.04 11775.59 15795.52 39760.12 23977.9 6735.14 15620.82 7125.78 6429.12 31593.47 5705.93 7019 10171.43 15356.31 18799.06 10083.05 10651.19 18055.22 17001.88 13354.4 10039.85 6513.77 22259.62 1022.67 34785.92 12121.27 11240.72 3572.18 12146.45 15542.13 7820.21 611.37 6463.31 15354.16 9063.96 12668.08 20641.96 3917.68 18844.11 46238.47 18824.54 2117.42 1603.81 18942.91 23504.4 11616.02 3815.25 8352.46 5912.71 1711.59 5920.33 11381.43 22435.48 5797.15 9719.19 1866.81 12048.31 4593.88 14304.9 11391.38 8224.02 6485.58 16484.5 10074.32 9325.46 16455.87 12363.09 12306.21 12769.12 12287.31 12520.88 12452.65 12716.9 12519.77 12286.88 Phe-Glu-Ile 20806.58 53609.17 210.54 206.03 12649.21 4665854.76 595185.34 135187.53 1805.84 298788.8 623.03 42057.67 260.59 452.8 318.66 65264.97 111849.86 53991.48 148852.59 84463.77 100214.8 2896857.57 3549.29 82679.4 34603.56 373358.83 9007.43 227.94 618.38 1821.98 29287.88 358.02 50327.34 44464.05 140594.92 135999.97 202653.88 3264448.15 7393.06 197.24 98916.89 38681.47 1637.65 93904.17 140702.62 94342.16 185378.08 416.9 223610.92 374.23 51603.03 2801.8 159954.56 146456.94 18426.09 288.47 155407.14 150296.55 143217.2 446393.77 136098.76 11543.24 410.23 164160.2 90804.95 23504.24 90694.23 144751.37 121244.53 171394.19 123930.92 153261.03 92597.1 101027.25 113074.64 257300.32 255520.72 255514.2 256826.68 256848.22 255488.65 259162.94 256053.07 255486.69 Lys-Arg-Phe 2022.2 2401.35 2230.69 1635.91 13651.82 2634.1 17953.77 108046.66 21986.09 10303.53 4788.85 8570.25 4154.15 18406 7804.54 7090.6 8882.39 5253.21 11261.02 4479.06 12796.94 4481.25 3514.41 4064.2 24876.34 26598.06 14018.45 8595.01 8889.12 5189.19 6275.81 19164.26 12404.3 19057.15 14545.03 21272.42 43192.13 18465.3 6631.61 17019.35 27298.75 38182.41 16956.56 14092.55 31505.46 5331.97 14514.78 18028.91 14795.6 44357.47 16909.7 16798.4 13848.77 22272.32 14066.57 27597.81 7240.21 22991.77 20044.65 7067.09 13036.1 3766.55 36606.11 19851.17 12486.14 25802.68 27508.77 10827.4 14236.64 22760.44 14183.14 14195.75 14670.43 34991.14 14933.33 16668.16 16619.22 17069.19 17361.03 16575.66 16884.79 17041.22 17586.39 16819.67 Quinamide isopropylidene 24081.26 23319.71 14255.06 18939.94 28711.8 19631.33 20363.66 35088.29 19797.96 25822.4 22470.31 25538.99 15136.52 23273.03 7368.09 27040.81 17070.48 36072.01 31909.01 33103.7 28521.28 10010.43 14699.48 22055.66 14754.24 37677.66 23868.99 20441.76 36070.03 8841.65 38836.08 35348.32 19270.2 19604.57 19212.69 29263.94 30262.07 17859.24 18184.56 19008.59 32910.9 31862.6 22669.15 13174.64 32385.74 17505.99 28545.98 27849.63 15565.6 29269.21 23751.65 23997.23 17837.62 13533.12 17407.18 19975.33 10762.79 6191.02 25554.67 18766.7 14517.67 10922.84 16769.8 13414.28 13632.54 42764.69 32573.55 17689.29 14789.06 25547.55 13351.13 22401.06 18663.39 24298.96 7248.38 24419.5 24468.47 24868.4 24417.81 24874.91 24440.97 25368.84 24419.6 24676.38 Mebeverine 13414.18 26794.95 4307.44 7714.23 25646.5 18238.35 3500.67 27420.54 19570.53 8094.92 4278.62 10905.94 18788.68 588.7 36787.85 9537.89 4159.2 8598.26 11657.98 8279.67 22828.31 12824.42 1352.53 12425.93 22571.62 25302.11 12420.75 3919.94 11022.27 4200.28 12748.48 10248.56 3364.46 4626.3 9641.44 22269.74 24387.01 9778.19 6219.76 18544.27 18542.29 44259.06 6882.04 13161.21 21385.37 5601.27 35365.62 20103.89 3638.06 28157.17 8522.7 13184.05 10891.28 18652.35 41676.98 39818.71 10761.78 20216.07 24385.17 20058.6 7641.72 4024.46 23677 8225.37 9998.05 28816.18 26890.31 7961.79 26469.31 35810.6 18174.91 14921.75 14798.83 18019.43 13238.73 18433.48 17119.18 15127.85 17186.04 17787.6 17455.97 17199.76 17970.81 17610.7 Met-Tyr-Val 10094.71 2340.05 1038.43 1867.03 7584.23 14158.74 25787.21 19977.13 17161.39 15205.01 18058.41 27178.96 8889.24 15726.49 7519.74 34709.69 13614.71 8150.99 31775.81 5861.12 10901.24 3239.7 16220.63 19013.45 12554.99 15486.92 23312.93 46621.52 14627.06 15736.88 14509.91 34594.02 6724.41 22093.43 19985.82 12462.57 6930 10021.21 16404.23 17832.1 12586.57 18137.81 27363.96 10605.79 16701.85 15000.25 7785.11 13468.51 16981.71 39927.97 2728.92 9788.24 20065.28 26076.3 5946.38 4318.78 5212.37 2649.83 11002.99 1143.85 12532.46 1372.5 10111.56 11885.63 8704.56 22730.36 13838.92 20404.17 18920.42 23779.4 14249.99 3885.01 20447.47 1767.19 23157.73 17127.31 15066.29 15016.01 14906.61 11675.54 15443.46 14745.51 15470.26 15462.27 Oleoyltaurine 5906.63 14729.05 1446.41 9910.2 11944.14 4429.51 15688.69 25970.93 46087.23 8249.12 21333.69 1957.85 20731.91 18012.68 12762.35 3468.65 3412.4 12694.14 3815.25 1360.44 17306.19 8141.83 8722.18 16775.28 25128.17 16675.62 28765.51 49933.26 10338.67 11329.57 15222.71 16880.01 9013.82 45299.44 14178.7 20249.16 18790.94 9124.91 41596.06 13593.08 9447.91 32907.04 16038.99 21513.82 40956.05 17481.78 18383.11 8094.86 46074.51 19949.97 51054.19 12080.27 12943.36 14598.92 19684.15 12130.42 2472.17 9127.92 9745.56 1312.41 23195.23 21460.14 30371.99 4710.3 1341.59 34087.9 19890.89 46235.99 3740.87 21140.33 34049.43 33785.1 13461.1 10885.65 30963.22 21495.79 21143.66 21480.52 21445.45 21432.6 21431.62 21153.3 22649.11 20810.45 Tyr-Glu-Lys-Thr-Tyr 1605.36 2222.68 2534.54 618.09 1526.15 1216.96 5213.8 3746.62 5250.33 20375.6 3280.53 1427.46 833.77 3050.85 1148.16 3742.94 11638.01 940.35 1900.04 1248.91 2826.22 2148.24 963.71 259.98 1885.46 2053.15 475.18 1678.03 1690.35 468.58 307.08 1019.11 22578.08 3319.21 2173.62 4696.95 3319.23 8679.6 4987.12 1775.06 5155.8 4744.23 2845.41 12370.63 7077.49 4521.27 7342.86 2655.07 2452.98 6535.25 8039.25 7707.65 17373.35 2418.96 1849.88 6134.53 16753.56 941.15 8122.41 1558.58 4375.26 633.21 6460.53 2819.1 3261.17 7050.06 5676.35 5899.49 8986.79 605.13 4396.8 8661.47 1812.65 5200.83 1407.58 7255.56 7080.75 7087.77 7126 7097.53 7266.12 7198.42 6451.94 7329.66 His-Arg-Tyr-Arg 11888.6 12350.99 7184.57 8695.48 18615.76 18538.1 20023.35 21046.71 13868.18 12147.37 13570.56 2752.66 2115.11 6262.29 17546.51 12390.99 6977.76 12518.47 3994.87 28295.36 19065.26 1701.53 511.92 9156.93 925.89 19499.94 11953.89 13734.74 8045.79 3885.53 24605.98 11036.69 9176.47 17535.36 11871.24 3791.65 10177.85 13904.35 14170.9 8103.5 26134.61 19926.31 8335.53 10452.16 19825.52 10484.76 3162.48 1418.81 2465.68 1973.39 11836.29 13140.42 9486 9783.1 10739.52 11846.85 7367.57 3434.08 11480.6 8810.54 6807.06 8213.84 9165.21 6575.84 5003.15 10306.24 15629.62 6192.59 7555.93 10272.97 9998.17 12064.87 7800.72 4589.23 9189.52 12163.59 11885.69 12065.32 11889.93 12129.59 12768.48 11908.31 12174.62 12115.99 Bufogenin 793.34 8139.21 8530.54 5794.52 8302.63 1204.14 11423.22 15595.63 8705.44 7054.72 11152.27 4292.52 4928.44 6176.96 7135.33 6030.13 6879.65 6396.96 1498.78 7739.2 9332.51 2033.39 459.65 7735.85 7589.56 1779.64 6960.45 7158.61 11195.64 7819.31 6310 7981.15 1041.36 7877.26 6873.11 5378.29 7885.35 4838.41 6979.33 7443.19 5323.2 9104.53 6308.25 5379.99 7863.13 5622.34 3832.24 7343.98 5844.67 5875.46 5942.29 8028.7 7236.29 6418.92 10845.64 6239.6 8169.5 6846.8 3719.93 5702.32 8140.37 8652.75 7182.75 7153.76 7619.2 9059.12 5042.65 8108.47 7371.32 7120.21 8963.08 6197.12 7986.64 6763.16 8152.78 8010.79 7839.01 7369.78 8004.94 8006.46 7936.25 8006.01 7966.98 7889.08 Gln-Glu-Ser-Gln-Asp 909.43 2391.01 2772.77 4607.9 507.58 5769.15 6691.42 5245.67 1351.97 7871.27 1092.52 418.02 3399.68 2823.82 1607.11 4986.41 548.26 3459.07 4237.19 4972.64 1648.36 2721.19 3134.04 2859.02 1253.48 7724.44 1202.78 348.83 1445.79 4662.73 3207.1 558.63 2296.15 1437.05 1313.22 980.08 2483.89 29915.77 647.82 551.87 4361.6 5729.45 817.15 2384.96 2270.58 6354.29 1928.34 504.98 2878.89 1581.75 3330.58 1318.54 702.92 2516.1 1320.02 1676.35 1116.5 801.16 2681.16 31194.75 1994.15 853.95 1119.28 2014.05 446.12 3188.08 346.24 326.75 377.7 2520.66 3215.55 4161.19 697.62 2701.87 901.88 3761.81 4403.34 4171.93 4217.43 3955.93 1801.48 3832.24 4278.37 3816.29 Gln-Gln-Trp 2447.47 3729.42 1002.47 1096.47 4540.5 2975.32 1218.89 10053.59 4795.63 1899.05 1798.86 4125.6 795.15 6448.25 1144.68 3049.21 2721.49 3603.99 10788.74 2858.58 2233.79 2602.47 3940.83 1509.94 6663.15 7004.34 7726.62 1614.43 8164.29 1747.73 858.05 1251.54 2448.66 11683.39 4108.7 13028.9 7933.39 4131.92 3888.16 3716.93 3441.84 2457.22 4210.56 1954.15 6438.18 2596.28 5695.62 7062.09 7549.48 8596.7 9263.9 7043.63 14797.44 7383.46 6421.65 4723.96 5110.18 4159.5 4841.3 2765.93 9719.02 7700.65 8996.43 7581.59 4272.12 6854.48 3057.34 1664.59 3591.64 14629.81 8508.62 2639.63 5265.37 1978.81 3762.01 5689.39 5103.05 5703.76 5461.01 5721.08 5730.45 5487.97 4840.82 5721.26 BW-A868C 21626.42 3297.97 2439.5 7425.17 7851.87 12299.08 10265.43 23615.71 16917.82 17371.84 2667.56 8558.32 3340.56 15856.37 13267.19 18143.46 5663.71 6986.78 12013.45 10697.82 23636.81 6971.17 3042.54 14735.68 20711.87 13867.69 14784.37 13097.65 12803.78 2147.93 3939.13 41032.15 3393.54 18286.24 15379.87 14296.17 12831.74 5960.28 11244.64 4901.35 5976.74 27651.15 14060.24 5496.23 25456.03 10738.23 5480.6 4218.2 28320.23 13365.77 19238.66 18574.31 11951.58 13144.02 21231.37 10368 5023.58 1463.11 18239.98 10673.56 9958.03 12256.84 15387.96 13742.78 3972.52 27052.59 7995.06 13896.5 6492.86 7923.07 7169.03 13662.35 7017.61 12910.02 2871.1 4474.45 5371.35 5750.28 5672.2 2856.61 3213.77 1956.58 4628.02 5007.97 609.47 629.94 1058.97 2025.58 4246.34 1349.14 2975.84 1911.61 9962.34 3577.35 1038.66 3979.51 1011.81 3178.49 4163.99 8644.99 10100.94 10374.26 9442.02 10348.81 10311.22 10434.56 10499.22 9987.53 9902.85 Trp-Arg-Phe 1302.95 1339.31 4810.44 4972.21 6037.77 2516.39 1113.58 2124.3 897.5 1355.75 660.88 2621.52 6229.02 7002.51 1677.03 4856.94 635.34 788.83 1163.8 1032.04 1173.84 1973.73 3973.48 714.04 1401.38 5001.61 3388.04 1324.78 2105.29 664.17 1066.52 1958.82 607.41 14409.31 4554.68 2539.15 2240.38 9803.65 4447.13 2625.03 1747.64 2470.78 2302.04 1618.58 705.11 9570.97 424.65 834.18 5497.8 4493.52 4860.71 1348.66 6720.7 10263.85 3815.51 977.19 2995.1 3249.64 2963.36 477.08 1573.76 2774.12 1866.34 3343.86 400.5 5271.2 690.67 2961.63 1341.9 2393.95 727.6 3400.57 3156.66 1704.4 8211 3702.56 3651.95 3628.85 3845.84 3234.47 4181.5 3733.43 3832.66 3851.75 Met-Ser-Tyr 5497 6251.37 2803.79 3808.85 1925.09 5628.19 3293.53 5951.07 7795.91 4635.47 1049.03 5787.01 7032.21 4828.3 6820.07 7478.89 3038.45 3414.4 11219.29 4621.97 7239.45 3032 895.9 972.69 7677.99 5969.1 3193.1 1785.63 7740.87 8246.76 8405.26 13632.13 739.09 1145.66 6444.48 4560.97 4343.08 4212.91 1558.77 9425.54 8937.12 7854.29 1933.35 4344.52 2575.47 5039.42 2771.9 5698.13 4347.79 8256.6 7660.91 9482.38 3826.6 5686.83 5787.63 5301.49 676.79 2575.66 3620.69 3459.86 5055.41 2718.43 3354.34 3201.42 2441.97 5722.97 6433.87 4954.43 2679.15 5503.91 5981.18 3867.17 2945.13 2023.85 5462.68 4887.18 4911.91 5178.43 4957.89 4954.53 4958.34 4694.25 4931.5 4851.1 5,8,11-Eicosatrienoic acid, 14,15-dihydroxy-, (5Z,8Z,11Z)- 675.78 38.47 307.72 23337.95 50695.06 12100.52 36384.47 1114.75 402.12 38.76 305.71 549.9 4722.61 65.18 524.08 2845.67 741.76 44.5 56.34 256.05 80.88 196.28 310.1 114.91 63.66 51.43 438.18 259.07 507.24 60.79 242.16 145.69 119.27 83.72 322.36 710.52 228.14 37.03 527.98 981.25 24865.73 2936.3 153.01 151.12 104 4727.33 96.08 351.38 146.9 184.41 110.71 62.52 336.53 1282.54 6712.01 68.41 864.19 1105.36 1728.06 5859.62 667.22 767.81 1925.92 146.78 914.01 2841.05 67.59 97.19 411.79 460.92 34.86 93.58 258.5 679.55 1669.07 6756.56 6783.38 6756.37 6716.46 6715.75 6715.64 6716.13 6757.42 6720.82 Gly-Arg-Tyr 3848.74 5239.72 756.76 4804.33 11549.55 32109.04 8151 4792.08 1265.04 22435.46 690.24 687.87 2356.54 588.85 2035.09 1436.68 200.27 886.81 1074.01 879.24 1483.88 39972.95 2545.89 679.63 928.43 8180.31 867.21 412.62 1036.44 934.03 1518.67 6704.26 1353.71 6073.22 342.46 1105.13 5336.05 13259.42 2970.84 774.38 4920.79 9312.33 1562.81 284.72 1467.92 4955.22 2334.05 1214.87 866.39 1296.33 1178.36 3858.02 576.93 1003.57 4348.73 4024.7 298.63 214.24 838.41 7277.83 415.2 347.75 2968.7 932.46 508.46 365.83 4792.5 687.1 464.6 458.59 947.78 11224.1 551.57 275.73 1086.89 4476.6 3957.01 4100.06 3884.83 3647.78 3702.54 3941.89 3733.54 3644.68 Val-Tyr-Trp 11624.19 4769.37 1789.13 1278.48 13947.92 5748.99 2064.5 20867.07 12868.71 7187.49 3514.06 9817.55 5993.58 4890.02 8226.39 10815.62 2112.54 18741.26 15507.79 19725.5 14115.89 3143.93 2655.81 3917.95 15527.9 12991.07 4227.06 2453.73 16058.07 15284.51 14763.35 6466.98 4312.7 8486.82 3265.5 12271.13 11020.91 3423.34 6678.57 3844.06 8942.17 25462.63 8611.68 4344.36 23752.87 4875.7 17321.04 7819.07 5880.99 16646.94 17298.28 11735.1 12544.15 5657.43 15542.04 10106.08 2821.99 4562.92 17538.39 4289.4 11326.68 8080.38 13446.19 9130.17 7524.57 16646.85 9836.91 5991.3 10629.69 16840.44 7546.73 4706.88 17031.07 8047.45 8455.32 9452.79 9468.8 10643.26 9348.78 9911.77 8215.8 9552.88 9630.93 9812.27 Pro-Lys-Met 1073.02 1645.26 6248.65 4954.27 597.98 55357.43 3408.73 1773.06 385.97 7560.74 1458.07 128.66 2869.71 846.13 3495.2 192.78 1258.65 2371.93 2905.63 629.79 2188.41 43278.72 174.64 137.58 1920.69 8150.08 1710.58 383.55 2526.38 1508.92 171.66 8677.7 1782.32 1786.24 1380.85 1441.63 289.79 45701.53 140.94 263.14 566.15 1342.73 1763.68 1341.1 191.94 214.9 190.99 161.92 466.71 2082.29 1840.07 165.51 1237.19 1526.95 569.74 1161.63 147.02 3570.49 176.6 8662.02 1562.51 1245.12 1711.72 2447.19 160.92 536.16 361.88 1638.66 212.18 187.8 842.5 3541.7 1457.7 3502.32 592.95 6163.84 6292.48 6645.1 6165.99 6153.72 6337.83 6028.8 6324.04 6079.17 Val-Val-Phe 1024.06 2356.5 878.92 1129.57 5064.97 4865.25 1628.5 3724.6 13066.17 3846.83 858.29 466.02 832.02 1202.09 13741.21 2565.53 1184.74 5109.92 7082.43 5756.72 2115.54 877.06 515.21 1620.88 6625.96 9868.57 4537.57 2189.63 4767.74 564.02 3089.16 2268.19 4639.3 1435.09 3295.6 4241.08 2644.49 753.23 1387.5 4560.73 2285.4 1796 5567.21 812.07 4592.41 1646.7 3883.73 1774.04 3975.04 3168.51 2549.42 2564.96 2626.63 5117.57 5470.13 2927.18 3246.26 4804.55 5183.72 3499.9 2867.25 1986.64 4897.68 6533.09 7380.33 3326.17 1415.87 673.58 840.58 4828.5 10861.05 1882.81 2219.29 9073.53 893.28 3505.23 3657.01 3618.67 3472.68 3585.22 3498.19 3487.75 3515.83 3609.27 Octylcreoxyethoxyethyl dimethyl-benzyl ammonium chloide 34127.72 52978.26 67878.07 44906.84 34471.59 37990.6 71680.13 49072.99 23684.61 83716.86 52547.7 59491.86 49261.74 56447.42 30284.43 95717.82 33888.45 35754.54 92094.2 61910.81 60338.22 62143.1 56101.92 58465.17 46293.82 33249.48 56423.5 70788.76 50236.63 74744.01 43078.26 51206.4 33693.56 63128.22 156750.63 39990.25 41154.69 22101.43 57993.25 55942.9 24854.91 38619.83 72277.16 48211.55 44799.57 42364.24 51539.48 73196.56 67562.87 62414.78 35738.09 26994.75 71089.6 66973.02 29812.65 34895.23 36886.87 53134.12 24489.81 11835.09 46218.14 42244.12 39703.33 81276.45 55104.98 30581.17 37282.15 112580.82 49855.17 33711.24 33649.64 56434.7 57640.91 161477.3 58242.14 37112.19 32102.99 36382.93 36358.67 37180.69 39249.45 36392.8 36688.18 37874.19 Phe-Phe-Lys 1200.09 2101.08 1719.01 1143.31 1416.82 4511.1 5975.16 3426.77 659.72 1540.68 4654.89 1830.93 782.58 2021.19 1143.93 3269.34 2111.09 586.13 970.81 868.55 4087.28 1823.21 3270.14 1237.88 2558.18 3390.17 2759.09 7915.37 3049.64 2922.33 1453.67 1739.38 1469.64 3613.79 4026.04 2763.81 1363.9 4810.37 3090.36 4297.99 7684.48 2411.8 6350.65 3551.3 4688.38 523.58 7733.59 2713.38 1879.03 4367.19 2399.85 5074.28 4629.35 4602.19 3228.71 4599.16 1309.62 2712.75 1682.94 3110.17 4040.93 2754.76 2760.13 3078.64 3492.96 4600.17 14092.01 3956.12 2788.18 1463.4 2383.44 3329.53 2336.21 3302.38 2914.8 3260.94 2929.05 3285.18 3304.54 3372.78 3489.13 3452.59 3725.11 3244.74 Met-Lys-Lys 3996.88 3349.58 2661.19 615.5 11308.89 4665.12 4733.67 2851.42 1737.91 1962.27 3697.37 8562.79 1916.53 2978.18 5941.68 8670.04 1952.82 5576.02 7885.97 2938.93 3880.81 3473.95 2233.45 3736.74 2749.11 1707.59 4647.39 5227.53 4725.92 7434.41 2501.1 20706.53 430.84 3018.5 2098.75 4410.67 4300.5 1078.6 3376.16 1152.79 4304.3 2614.91 1085.48 3363.42 6659.72 4032.5 3335.29 515.61 8490.47 6660.35 2680.62 9350.52 5732.47 792.11 2505.85 7340.56 1273.7 2374.17 8874.93 2821.29 3268.81 1677.27 688.41 19423.4 9762.55 6119.49 1346.98 4786.98 1978.5 2634.67 587.57 971.38 6158.6 541.24 4147.21 4512.92 4519.9 4567.5 4113.02 4099.51 3235.33 4378.05 4515.12 4166.26 Meptazinol 3022.54 2562.07 2967.13 1714.07 709.41 2060.67 4002.35 5343.55 3044.8 1177.47 3577.96 3950.87 2357.39 2472.45 3401.74 3009.29 2829.88 1213.89 3514.94 3484.81 3623.7 2142.04 2609.83 4503.52 2515.94 2543.14 1656.15 2775.88 3452.25 2790.45 3345.83 3513.29 2595.33 2294.4 3158.11 1301.66 2720.73 1917.14 2801.04 3544.72 1328.19 1593.05 3124.69 2611.08 4521 3287.82 1918.53 3197.93 989.28 1670.78 2141.11 2632.47 1938.58 2830.58 4060.07 1380.69 2397.05 4166.08 3093.86 2128.88 3077.53 2368.09 4356.12 2921.5 4217.78 2517.12 2742.85 2140.07 1966.26 3035.62 3019.57 2852.18 3188.18 1634.56 3869.41 2004.29 4760.11 1879.19 1819.58 2121.75 3435.11 1777.52 3213.57 2102.67 3027.6 2019.88 3296.7 3207.63 1946.13 1914.09 2958.48 2004.09 3147.81 2031.38 1906.87 3143.76 2129.59 3549.52 1874.86 2221.43 3141.04 3180.74 3201.12 3182.42 3023.78 3310.77 3200.55 3137.41 2431.94 His-Asp-Tyr 1543.63 7539.26 1999.27 6160.27 1794.82 1299.51 5403.07 7146.02 4261.02 3534.34 2085.4 804.57 900.76 3115.6 4191.18 5634.74 2560.18 858.22 912.19 1838.63 3230.65 634.23 2725.13 2815.28 2317.35 3267.16 2192.27 2030.69 3860.97 833.68 1334.33 1745.31 984.37 3812.73 1028 1660.61 1756.47 2211.49 6778.7 5858.42 1563.92 3908.92 2190.21 2473.85 6274.64 8728.33 4673.68 2059.4 9632.62 2169.58 4809.04 7421.44 4488.58 3858.56 5274.03 2047.43 6224.33 1490.04 4155.92 2944.2 4726.71 10849.99 4125.66 9981.07 2184.25 7439.48 6255.88 1381.74 986.57 8224.12 2717.67 2320.41 8006.07 6346.93 11518.74 2777.52 3078.84 3270.07 2947.11 3002.86 2848.39 3197.81 2714.17 2703.55 Met-Phe 1440.55 2197.38 656.12 2861.93 3186.7 8025.81 4721.44 6122.65 5440.79 5203.07 940.15 6087.94 5570.93 2102.59 2910.79 3401.56 2623.3 1250.07 2562.88 3451.2 2525.48 6667.15 4084.29 2331.23 1445.12 2563.86 3898.31 4453.61 2143.95 1058.61 2203.22 2103.42 2848.03 2120.31 3827.54 8268.53 3609.53 2776.78 3469.97 1880.17 6689.08 5437.57 1372.79 4191.52 3540.67 4735.65 2530.95 3079.65 2328.31 4566.04 3157.43 3977.22 955.38 2129.43 2582.07 1695.16 2459.64 1192.22 4041.51 670.17 2452.48 4103.23 4300.38 859.58 746.88 2959.96 1264.43 2644.52 3267.16 5258.57 2461.44 9384.92 1562.12 1829.91 1968.13 24701.68 25964.46 27061.23 38431.97 15929.86 34683.19 37125.22 63794.18 19670.08 18547.87 32165.94 18208.53 20553.69 32143.18 20428.8 25220.33 25316.28 35811.76 28747.43 69542.0 48961.2 58262.05 85901.19 57825.39 68040.94 3417.29 3270.46 3500.15 3599.89 3357.47 3242.55 3625.9 2510.47 3526.38 Met-Pro-Val 6220.5 1863.48 1658.55 2837.36 1891.77 15417.92 6567.5 14245.56 4777.47 9435.7 3877.6 7217.18 1475.16 9364.01 13178.67 3108.89 1888.19 10794.95 17386.96 11190.32 11233.8 6339 4645.91 3931.44 12251.83 7077.54 1069.21 3783.31 10279.94 4982.55 6136.59 26630.96 14394.54 9144.14 2476.64 14158.02 12375.08 8340.67 4813.64 1350.99 7146.51 23504.54 8924.28 4913.08 14282.27 5485.62 6901.68 9107.06 10256.14 8842.36 12003.82 4934.23 4272.67 3557.02 9657.84 9923.97 876.49 2747.45 21254.19 1454.18 3254.86 2821.79 8518.25 6815.92 5137.99 9768.03 6844.12 3046.25 3358.62 12303.35 4292.44 8908.12 9182.59 2445.93 3146.95 10569.47 9933.84 9509.73 10124.92 10409.45 10252.41 10714.54 10140.1 10415.95 Glu-Thr-Val 5407.38 24781.78 8559 2665.02 14297.25 23357.46 8424.43 30453.9 26975.24 17690.68 4489.88 7671.26 5338.72 4841.19 26870.26 14927.34 467.29 12919.45 9135.62 14131.16 19552.66 22604.04 2627.85 8357.79 24431.15 41111.61 9635.78 10493.71 23102.04 2059.63 10242.23 4560.79 4740.25 8670.98 2826.5 20747.81 18300.98 650.96 3042.68 18244.71 6306.19 8077.65 13868.47 7119.1 21871.17 11564.28 27351.24 5487.77 14395 11316.91 7908.8 11197.58 11513.75 13818.15 14624.68 7257.03 2302.83 11570.93 17281.65 9910.28 2934.94 2456.07 4893.65 12684.05 7297.16 17429.36 6793.37 5488.85 10761.87 8440.28 21318.57 857.61 12273.44 16794.17 2007.97 12089.76 11926.88 12158.57 6338.21 12120.27 11194.35 11460.96 12093.81 12268.5 (R)-3-hydroxybutyrylcarnitine 1355.18 4748.91 9248.28 20230.98 5429.5 25145.63 2886.77 1024.05 1865.46 26935.91 7705.93 7820.46 996.39 5687.3 7138.01 26954.64 11411.79 5758.9 9250.42 2778.62 4587.59 6746.44 17434.78 5086.29 3463.23 2157.67 4184.02 423.61 1041.38 5277.9 1867.46 21090.93 9029.93 12302.53 11201.57 6889.16 8253.27 24028.35 6518.24 3810.68 9622.08 2556.84 7280.58 439.58 2734.16 2018.35 7340.93 17537.42 5126.91 21801.88 899.99 10336.55 18007.1 4164.49 604.82 5955.59 11394.37 20525.1 5937.98 11185.71 2583.74 3668.31 2302.23 5345.72 4979.28 7065.01 5254.43 1752.87 7916.84 6140.42 9025.04 14548.91 10126.35 14613.74 4440.82 8911.66 8915.59 8529.82 7945 8410.18 9012.18 8381.79 8964.37 8887.41 Leu-Leu-Cys 5229.92 4156.27 8931.84 8296.69 1790.67 1097.13 11772.85 7042.65 4066.4 3264.39 4620.31 5445.86 7599.15 6706.13 3244.34 6380.93 5353.32 6695 1534.23 2947.32 5217.74 589.91 5344.25 6590.08 4710.79 5269.33 6191.3 7201.81 854.51 3717.71 5037.61 7047.81 2616.87 7992.41 8656.81 5523.09 6922.02 2815.54 7983.52 8165.43 2479.12 3905.24 6270.28 5529.31 5539.93 12440.71 7748.22 5380.35 8570.33 6633.24 9223.95 4202.96 7116.84 11484.62 6140.91 4060.55 7966.19 7479.03 3860.33 6977.41 7612.21 4385.62 7681.54 8913.2 6907.77 7370.14 2618.62 5449.95 6347.33 6371.5 6240.91 4990.51 8748.25 9158.47 8927.08 6107.81 6509.07 6454.2 6475.59 6429.83 6226.75 6398.39 4856.27 6229.56 Pro-Tyr-Tyr 152.8 1369.29 901.39 10541.29 63677.89 26038.57 20306.11 744.13 792.26 1892.84 2286.76 2145.5 11230.57 1696.67 1308.34 3374.59 1284.55 293.43 258.04 1720.29 1990.37 1308.7 1295.74 359.89 281.9 2006.82 1997.77 2115.24 3931.79 218.13 1761.41 9775.31 1251.42 12135.66 4012.85 202.47 1679.21 1628.68 825.51 2342.57 8525.95 4080.31 1229.33 1236.61 2106.82 33028.84 251.38 832.13 408.4 9236.78 11505.36 1958.52 3836.62 18837.61 12278.78 1421.11 2074.31 320.24 1977.24 2357.67 263.88 1892.53 1556.57 999.41 936.51 6525.01 1971.28 1731.23 141.83 641.91 233.99 305.76 776.46 5816.5 12152.21 7825.19 7644.67 7938.59 7942.95 7679.39 7747.17 7778.72 7942.7 7455.2 Gln-Ser-Tyr-Phe-Val 4353.87 2674.3 5946.34 8324.4 4027.82 4474.48 14068.21 5161.02 5773.55 657.47 2388.62 2620.12 11770.07 5155.53 3571.35 6065.93 13687.78 18410.34 3561.24 17913.72 5431.59 6141.55 3521.29 3803.04 4526.23 16378.58 4538.08 5390.76 28552.03 13079.52 789.45 9593.38 12923.13 15105.38 10076.99 7745.83 6522.56 11984.73 4183.32 859.66 8170.67 9998.76 3592.29 5721.16 5090.61 7340.71 18844.26 8928.63 15435.6 13176.37 3543.73 11792.42 6878.41 21628.92 5835.99 18022.34 5346.35 2120.78 6077.92 12817.58 7466.81 3978.12 6589.65 2266.99 9261.41 7168.05 1682.06 5300.98 8107.65 6826.66 1016.43 5262.98 5209.16 12986.25 5963.83 10234.74 11385.27 10127.42 10581.8 10857.49 10777.5 10217.62 10744.59 10130.52 3-Oxooctadecanoic acid 60130.93 70149.36 39735.71 54690.67 40658.45 159351.66 47194.11 8669.94 29770.7 25868.19 17081.1 26344.27 72566.04 70245.2 40416.09 75684.96 77283.31 72693.86 55992.93 74620.92 33438.37 38653.22 36891.88 30212.62 22771.59 40920.61 24427.6 29640.02 46392.24 30458.23 71870.92 91509.14 14562.84 33052.5 41178.43 44529.42 33790.9 45274.77 34470.92 13174.03 66203.37 84109.93 32050.55 80315.66 59097.76 34907.96 60229.91 68627.57 92803.41 194546.78 64319.77 62781.66 18117.88 8521.93 58876.53 51890.71 43979.57 17226.83 31825.17 16318.11 23040.73 58686.67 37594.11 15514.02 3606.29 46835.57 90171.8 115455.89 94373.7 36246.3 39498.93 44134.4 9373.51 38477.31 138450.87 63417.9 63776.71 63940.51 64141.83 63283.4 60796.02 63965.82 63432.58 63294.42 Thr-His-Gln 1579.3 408.66 5697.59 9719.33 14098.49 16453.95 17433.11 594.76 280.16 607.4 275.36 1093.26 2968.88 1096.82 1045.47 544.02 1116.36 302.26 1193.64 716.9 1139.03 11829.37 522.61 360.21 1234.5 427.68 568.69 207.75 287.33 526.32 927.79 574.89 396.05 978.75 901.9 405.47 642.03 1727.12 530.37 1233.3 6257.74 2244.91 405.36 269.81 1296.43 7775.19 492.52 2030.07 478.77 488.27 832.51 506.21 794.83 1258.66 2047.11 879.79 2972.62 1359.49 370.97 1738.77 602.12 627.11 1052.77 3605.26 1418.1 1352.47 632.71 513.21 574.18 759.61 1805.2 881.48 213.94 1611.69 1350.55 3443.41 3348.88 3431.67 3441.01 3235.94 3458.65 3450.14 3367.53 3025.77 Gln-His-Thr-Leu-Lys 14538.52 7383.5 9709.19 12433.68 359001.32 68375.27 48643.59 25055.06 18884.99 22441.23 12096.29 44215.82 27403.44 17391.09 22923.77 33122.3 13359.17 38308.34 39333.96 10930.4 26145.45 20148.35 15060.01 9375.12 27664.97 25610.07 11079.32 6821.7 34994.6 8247.52 25064.88 61018.31 40666.42 20890.25 9636.86 21117.02 17643.56 9845.57 5503.1 4874.03 16368.75 105656.81 7130.81 5630.31 36551.33 31929.51 9274.48 8958.53 40479.45 30499.85 67784.75 17351.94 16351.51 14556.84 44302.76 15268.64 7808.46 4976.41 33552.71 13459.85 10190.48 11587.45 18042.19 12371.92 5033.66 39268.09 8776.12 10678.45 7858.38 19073.88 9326.32 17305.94 20640.18 13011.63 15227.9 31541.53 26120.82 32441.06 30987.66 28988.89 32310.74 31924.13 32447.53 29907.51 Lys-Phe-Asn 528.09 375.92 759.1 7609.53 24702.18 29130.54 26296.88 88.64 355.12 516.37 328.82 475.86 123.13 474.12 87.02 2701.87 176.07 1107.82 847.68 232.16 167.88 161.09 744.67 591.89 245.13 114.32 572.24 485.3 701.65 67.9 276.25 172.01 363.92 56.87 423.52 110.23 44.73 771.94 1119.35 484.63 20970.43 546.78 629.08 54.83 430.35 1672.43 338.01 54.88 384.93 1160.28 330.35 511.86 60.72 188.63 194.72 627.13 987.47 92.51 150.95 2896.75 490.21 469.58 84.08 544.92 52.05 174.87 124.96 148.3 701.12 325.93 55.96 794.92 39.03 77.08 790.62 6036.55 6131.06 6132.47 6090.11 6090.5 6090.23 6153.95 6091.01 6131.5 Trp-Ser-Asp 7538.77 10198.2 3570.2 1705.39 4296.04 16348.65 4213.15 4284.27 5039.33 8219.99 1237.74 1462.37 2310.21 1857.34 13267.51 3661.03 1602.63 1030.18 3202.96 4991.49 2612.8 11337.79 1472.31 2016.61 1349.05 15662.86 1463.93 1759.13 4931.2 2226.73 3448.95 2625.14 10717.92 5925.49 744.74 2176.67 1856.89 9492.83 1327.75 1592.22 4788.54 7295.6 1955.54 1474.3 4461.5 2465.13 4380.38 2217.64 1890.28 2259.52 7209.62 7151.26 720.41 3239.95 3496.44 7216.39 2203.93 2443.89 7484.58 9518.01 2079.49 489.67 8189.04 2646.42 818.24 7829.59 12091.44 2235.3 733.1 3872.81 10645.47 2225.17 1269.38 3759.07 736.01 4455.31 4260.99 3157.02 4336.3 4339.64 3837.51 2883.83 4295.48 4422.57 Tyr-Phe-Leu 8209.28 635.73 912.51 443.19 7406.09 3275.25 1944.07 12597.48 17303.61 977.88 1942.53 1156.18 2121.6 665.59 2452.67 2139.39 447.2 1255.25 1779.13 10913.47 7628.01 2838.81 1375.28 889.15 12434.36 3037.02 3656.36 1852.84 7909.26 6887.17 8759.68 20449.96 1901.68 2015.38 725.83 5440.26 7398.85 3095.61 1041.52 755.59 2753.95 17807.96 1535.12 338.16 10651.55 1844.11 1703.89 2446.59 6773.26 6617.42 1742.77 3236.1 2844.62 627.77 5751.82 2382.28 1055.26 328.61 7587.3 654.77 1519.01 1392.32 3860.25 697.67 1493.32 6312.79 1907.35 830.78 2280.64 1341.22 6444.42 3283.7 761.1 1583.51 789.05 3449.96 3418.39 3079.03 2947.91 2997.56 3417.59 2531.76 4236.24 2366 Gly-Ile-Thr 7729.85 11626.19 8544.35 8145.22 25391.34 922.86 7109.69 22135.2 23243.74 14181.84 4695.34 9546.02 2271.4 4231.85 37608.4 12236.09 4580.47 20602.01 21797.81 21308.66 4028.22 5862.54 428.82 3146.27 18837.9 22885.43 9429.18 2128.39 15684.39 2172.13 9906.87 13298.55 26443.56 5111.32 10613.18 10810.83 11807.44 3458.43 4095.68 17865.38 5561.47 10631.18 22067.93 5162.4 7167.7 9018.6 19776.31 5714.71 9549.69 8389.12 16846.75 6462.49 15274.89 11816.96 11052.61 11543.69 10257.73 14974.52 16883.42 15478.02 11544.85 3998.65 22970.02 9931.91 2882.66 15139.97 3223.33 5956.05 5382.41 14936.95 33639.99 6984.09 8638.5 30293.75 12484.9 14223.36 14322.92 16449.62 15426.01 14210.9 15193.49 14209.77 15583.25 14169.71 Gly-Asp-Ser 4765.57 5199.34 5317.01 2815.35 6534.37 9776.27 2021.29 4633.62 10246.66 8349.88 9390.47 13170.75 7326.02 10007.43 7935.43 13139.64 8414.72 2415.04 20386.88 8716.58 8789.4 3769.39 8461.23 9052.59 6723.46 6885.91 8490.8 7120.17 3175.31 7791.33 12828.46 12670.29 2170.19 6489.28 6720.83 5451.46 3362.64 2096.64 7397.8 6398.01 1499.38 9373.89 10642.21 5874.49 7953.45 6673.05 5653.57 11536.84 7813.33 17222.1 6859.61 6213.86 6894.06 9196.1 852.58 5154.36 2688.91 4598.89 4415.16 993.45 7236.96 2497.06 3928.5 8215.25 9921.79 8944.34 10711.37 10241.04 8740.09 8812.33 6521.21 5959.07 9576.45 9808.2 9442.68 6462.02 6505.02 6650.96 6024.79 6214.78 6189.45 5484.48 6172.89 6576.99 Gly-Val-Ile-Gly-Ile 7978.1 9473.46 9154.85 8138.21 11655.66 5625.64 4885.42 16009.4 9239.05 9111.3 15137.81 9183.85 9610.26 7110.89 3171.63 4276.94 10104.07 3401.23 10086.02 10413.18 16477.11 9761.81 9515.3 3165.18 4313.44 8326.69 8239.83 9171.97 8975.5 8028.88 1439.09 3672.38 8444.68 7972.57 6683.6 9120.02 6312.64 9205.45 9455.05 10048.59 7958.24 8691.98 8445.59 6477.25 9126.79 1161.02 8535.61 8236.18 4152.23 13452.56 11145.11 8928.42 5381.31 6760.9 13125.22 6559.19 11112.88 7709.75 8629.91 6042.67 8458.03 7763.18 3600.38 4417.46 6734.54 6983.41 8715.27 8319.07 6425.17 6904.17 6866.55 7023.44 8966.18 7548.02 2916.78 4705.34 6036.29 6332.37 6334.53 6342.77 6246.24 6074.24 6343.3 6036.86 Ile-Gly-Ser 3780.97 7341.2 4569.46 3793.94 4751.04 7720.65 6836.75 4826.88 8420.9 4569.74 3268.68 2836.56 764 1593.27 1590.87 4501.61 2108.02 3565.89 7524.55 3031.11 7831.81 12329.52 1817.71 1060.21 1040.8 9811.05 4629.48 743.51 18898.55 4734.74 4383.91 8201.35 8664.29 5018.71 2372.84 8025.65 4713.38 8795.6 4441.57 6503.8 6641.4 7191.88 8336.15 3099.9 5414.74 3365.25 7360.57 4198.6 4369.44 4589.93 1684.12 2442.86 1575.5 9445.74 4464.4 3858.26 731.77 4221.7 4337.96 5060.94 1538.01 6005.45 7795.34 10989.94 6970.14 6907.15 1050.52 1659.03 3230.18 10204.55 9154.61 3723.51 5426.75 10640.92 1176.84 3714.69 1963.66 3221.6 3495.86 3619.5 3652.03 3808.12 3422.85 3357.96 5-Hydroxyiminoisocaryophyllene 3618.38 4083.84 2961.4 3202.43 2038.24 2925.41 4511.03 5436.91 3612.65 3450.23 4571.62 3127.11 2942.51 3623.75 4346.59 2697.51 4014.66 3545.56 3316.8 2927.2 4649.41 4241.51 3305.41 4092.44 3631.35 3760.8 4003.96 3848.47 2965.48 4615.03 3401.7 2998.27 3310.57 5638.76 3082.95 4277.36 3747.4 3752.12 3889.11 3745.22 3033.61 3007.81 4274.46 4328.74 3518.85 3048.24 5701.43 3489.5 1599.7 2996.37 3251.96 3953.27 3967.16 4072.68 3799.6 3886.62 5351.32 4086.13 4627.98 4442.81 3330.06 2411.62 3730.81 3445.78 4048.36 3619.05 3058.43 4217.02 3496.25 3475.85 3535.26 3524.8 2037.54 2961.82 3370.33 3364.1 3923.98 3485.88 3076.33 3292.87 3299.74 3636.99 3143.1 3391.98 3040.25 3104.91 3174.96 2844.33 2721.89 2786.17 2479.63 2958.34 3232.21 2656.62 2370.59 2844.28 4036.9 2478.14 2532.12 2593.43 3303.46 3391.85 3385.95 3418.8 2737.44 3343.18 3414.05 3301.59 3692.49 Ile-Val-Phe 897.36 1914.41 6599.31 5853.65 29841.87 1230.86 1359.24 8708.3 25545.71 6571.69 785.4 8011.6 17086.37 10734.4 20337.38 18026.89 1550.06 12340.75 15511.11 4505.8 16920.07 5703.06 5105.32 6186.85 12532 15423.54 1703.23 9183.1 12526.61 10318.03 2291.68 1433.81 17132.9 19400.9 10421.79 10560.93 13807.47 3870.17 5778.92 7582.94 4846.21 7476.31 11987.02 5412.13 7532.56 16077.39 6516.54 6114.38 8227.97 9616.75 12096.72 1740.12 11344.25 12539.49 6765.89 1679.98 3348.76 5060.33 8328.33 3513.29 3548.66 5166.09 11040.95 9647.51 10110.19 21396.03 2350.04 3884.65 5277.63 11177.92 7447.12 4871.85 8969.87 13232.62 9364 11545.77 11538.74 11012.98 11326 11601.14 9868.98 11430.26 11085.83 11609.38 Glu-Asn-Ile-Ile-Asp 1632.2 888.12 6224.94 995.65 8970.54 15525.66 7225.51 2110.85 3329.7 2767.67 1084.23 4170.01 7573.88 1260.36 6679.95 9547.49 2036.26 7010.52 14322.64 6095.44 1838.6 6472.98 5628.23 2526.17 3476.25 5842.09 2956.71 6331.95 2375.16 887.81 4811.81 4558.43 3949.8 1935.68 5385.88 6749.09 12861.98 18394.61 4831.89 4718.98 7237.67 6088.18 6489.37 5000.17 6211.29 5639.76 7388.09 5680.12 6820.41 19840.2 8010.99 2187.27 5150.4 3430.11 6352.32 8982.97 3491.26 855.32 11488.73 13782.09 4975.61 4742.89 5944.09 5194.11 4362.72 5309.14 12276.29 4389.84 886.51 6456.35 10607.46 4763.23 6311.6 1179.36 5784.8 12029.27 11931.91 12806.26 11893.13 11798.81 12127.89 11813.12 11215.13 12089.09 Noroxymorphone 1299.79 2422.15 1111.43 2495.59 6547.51 10515.07 6478.64 1270.36 5440.93 3637.6 1167.23 2589.61 717.45 2628.19 3126.95 1705.64 2595.17 4295.06 3546.14 6175.42 2732.51 4521.5 1609.32 5021.25 6388.16 5994.63 4095.15 3025.41 10541.19 1023.73 7281.25 4073.57 2833.88 3593.28 2560.07 7149.53 5094.41 2743.29 2520.56 1126.68 9382.87 5390.41 3462.2 2964.19 6908.04 1563.58 8198.16 1397.93 1129.7 4999.44 4003.27 3584.66 3510.72 3634.91 5339.36 2671.74 1671.22 2760.11 1934.32 4022.24 2144.72 3152.28 4276.95 2484.98 1903.82 3356.59 7336.37 3067.28 3467.61 3277.66 2662.99 1718.95 3931.35 3559.3 2971.13 3749.83 4023.81 3671.39 3999.43 3670.91 3994.81 3790.56 3675.57 4025.41 Tyr-Phe-Lys-Ile-Asp 3850.85 1991.19 966.26 1189.41 10122.35 1949.17 3012.22 3584.55 3828.07 2807.66 963.23 4662.45 3573.55 7263.17 6762.31 2625.06 681 6317.12 6706.02 2938.56 5011.75 2574.92 2320.42 2570.79 2765.67 7088 3263.82 955.64 2645.61 544.07 2936.38 2789.66 3471.89 2331.54 4143.7 3366.78 5716.25 2238.45 2057.73 1201.91 1719.31 4305.49 2453.98 2389.66 10050.91 5549.28 5115.04 1424.5 8141.98 4633.31 16366.68 7828.18 16478.69 9785.67 12690.24 2569.83 1884.63 2170.02 2582.31 2756.73 5437.89 4586.46 10191.86 6842.88 2650.89 7595.58 3762.94 2525.47 1836.13 4240.28 2065.16 5634.99 1381.33 4289.25 3340.71 2496.86 4837.3 5428.26 6828.57 4866.35 4455.19 5475.42 5145.43 5420.52 Prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-hydroperoxy-, (5Z,9alpha,11alpha,13E,15S)- 10760.78 11350.32 10130.27 10420.62 3825.08 8122.3 12878.85 14451.55 7767.6 10347.42 13703.28 7345.01 2608.94 13072.75 3085.28 13437.64 29340.72 11334.45 12624.25 804.62 13156.27 7902.81 9006.16 28648.39 27039.31 11525.85 2650.16 9474.84 12023.8 8685.11 3351.61 2198.67 29124.07 10678.71 9770.71 7045.52 9087.07 8412.12 12161.73 10221.76 8863.34 8131.82 10717.51 11368.16 9478.74 9135.76 24559.38 9052.34 6084.99 11419.24 13987.63 10158.08 9793.96 7047.49 13614.67 15813.89 7054.69 10527.82 19742.33 8897.07 10798.69 8766.88 10437.44 9598.69 10146.1 4437.94 11441.41 6208.25 10739.99 14818.95 18400.04 11110.87 5301.65 6757.94 9648.71 14300.68 24482.13 14562.46 14828.12 13773.6 14585.78 14582.87 13928.87 15485.02 14934.98 14653.84 14129.93 13459.12 13765.96 15135.2 12754.88 17943.51 13992.27 15547.83 14669.35 15220.36 14070.9 14276.32 14123.77 15590.72 10424.92 10150.09 10408.24 10423.19 10422.55 10796.79 10422.65 9020.85 10164.18 Cys-Phe-Lys 16224.94 9567.01 5477.31 1004.53 17863 17529.87 16480.79 26065.96 26944.43 13541.51 10581.89 12982.56 3901.69 14252.58 9191.6 12499.72 7413.7 20203.37 2856.76 42296.65 21865.4 7367.88 1147.6 2511.18 5010.99 3841.73 12953.31 1863.64 23835.18 11507.54 23590.11 24477.69 10995.48 7416.91 6711.26 26287.16 12387.69 9618.53 7380.16 5678.85 37043.2 39858.94 6971.42 9274.19 26367.49 6050.29 28277.61 12848.9 14174.62 4188.25 12888.72 14719.96 6885.89 14984.08 14137.93 11366.93 3509.87 1255.63 11305.06 5762.39 3596.7 3583.33 1190.27 6302.93 6364.05 12806.62 5819.18 10822.75 10569.07 10916.88 13774.59 1470.61 3811.03 1760.63 7769.06 15921.32 28509.65 16573.34 16035.41 17496.25 16659.6 17426.41 16275.65 17679.38 17160.13 14672.09 15081.47 17349.51 16087.55 19611.93 13364.99 18060.04 16815.38 16417.62 16077.32 16340.08 18554.36 17767.72 16426.21 16560.49 13014.11 12551.62 12575.43 12619.68 12122.93 12010.25 12564.81 11941.75 12000.22 His-Phe-Ala 2283.73 837.19 469.84 1001.56 1698.62 3455.45 439.01 995.48 2744.58 959.7 460.33 624.21 486.81 374.97 905.37 1858.25 6710.02 2317.73 805.45 1452.98 5695.55 1772.34 926.23 1146.82 4228.19 735.73 361.22 1074.91 3787.08 605.12 407.91 1285.8 2309.44 892.27 1455.97 4248.24 5718.92 2010.65 370.26 1414.12 4126.36 7460.73 3899.36 1001.18 1820.1 998.97 4526.25 1080.02 1841.27 1260.5 5582.26 1686.53 467.02 1150.61 5240.42 2049.65 1101.2 895.86 2733.54 2495.46 710.63 1200.13 4429.08 768.61 4667.4 4767.63 3873.35 712.27 1124.97 3917.19 3088.52 1332.54 2164.09 3800.04 541 2299.61 2262.64 2381.65 2363.25 2249.74 2201.28 2397.14 2556.34 2180.87 Thr-Leu-Val 1071.25 763.83 193.96 2867.22 10180.16 24922.67 3323.4 729.65 248.39 970.11 685.63 843.64 1448.1 325.9 761.15 1989.14 311.18 311.02 1040.09 607.61 711.55 353.21 417.29 195.68 619.04 497.25 393.19 378.98 505.87 436.56 728.93 713.42 671.87 508.69 523.15 1072.4 293.67 418.68 320.1 236.58 9870.77 250.56 266.84 384.4 1873.96 858.92 220.92 503.86 1749.44 354.82 541.9 282.36 499.94 223.78 757.11 764.7 670.51 223.74 598.79 626.29 578.67 211.26 1237.61 214.94 1121.27 898.45 171.12 820.16 353.59 530.15 208.45 1432.85 1246.11 444.74 493.84 2258.32 2124.41 2057.5 2050.84 2047.51 2196.53 2423.23 974.31 1836.64 Phe-Cys-Leu 871.1 1031.85 2987.29 3347.76 999.97 1665.46 956.32 785.34 1105.32 878.74 429.31 1133.99 4059.72 2416.5 955.91 1265.44 995.82 1719.58 1301.44 668.99 1067.41 1194.81 896.03 2637.11 1546.51 958.29 1637.6 2485.72 1364.56 1977.72 1248.08 3564.97 497.64 4179.06 392.05 2224.52 1974.23 1317.66 1583.68 2387.46 616.28 598.24 658.57 386.71 623.2 444.11 1023.29 787.02 553.1 669.74 748.2 936.43 581.48 855.72 1022.81 1668.44 3335.5 1937.22 690.06 1132.08 1256.12 1075.76 715.33 5333.67 1290.06 686.59 540.08 1576.14 540.51 658.08 2358.95 543.39 1162.52 1173.28 711.15 1975.98 1802.7 1769.7 1944.25 1677.36 1717.35 1688.35 2055.3 2104.16 Isopropyl dodecylfluorophosphonate 11957.45 2348.44 900.98 5684.56 10299.37 21077.05 9819.98 5753.15 2304.52 3489.11 6308.75 4691.38 9989.71 8758.02 1317.43 3877.87 868.14 5949.29 3514.08 439.98 3870.83 14116.37 2164 2063.76 1116.88 2018.88 1252.1 4128.09 16342.13 2371.35 5684.63 9843.42 3738.61 4499.79 4777.58 5747.59 2960.24 5220.36 3389.78 2331.96 6968.86 12072.3 3950.78 4990.65 9239.96 13875.85 5170.03 2406.32 5652.39 13816.62 5268.62 6303.66 3467.93 10746.2 8367.93 5571.25 3985.1 881.42 2081.53 716.99 1827.97 3742.84 3603.41 3495.45 3596.22 6755.13 3140.94 2826.85 3141.04 1986.46 1152.88 2977.98 3668.37 7109.15 9409.89 5632.15 5637.4 5800.94 5536.27 5687.56 5542.85 5463.89 5596.33 5557.44 2,3-Dihydroxypropyl 2-[(octadec-9-enoyl)amino]ethyl hydrogen phosphate 19780.35 37292.18 16843.6 14272.85 5588.63 24193.99 6360.12 19903.21 22356.91 7464.33 20150.9 14676.1 21734.62 13376.43 51536.89 19038.02 31193.31 29716.07 1198 45986.61 36414.21 11063.55 4985.17 14255.29 13187.75 8012.83 9557.93 11244.14 1325.69 21410.62 16116.56 11382.51 20750.72 17857.23 13864.1 9888.57 16033.27 9165 5775.31 11055.09 72354.62 13548.54 17450.97 24625.04 11989.15 7342.63 38651.49 25328.41 1730.93 12105.1 10890.05 23998.99 15566.45 19993.77 17519.72 27310.22 20653.62 17411.13 16701.04 8389.74 12206.1 8602.11 32285.48 13140.11 18328.88 19380.43 33161.52 12508.63 14638.66 17750.55 13840.8 1340.74 14927.13 24161.88 16102.97 67576.68 44533.34 62436.27 52844.43 66847.25 37315.45 21286.41 52997.38 60137.78 11531.92 14415.43 29897.88 17671.5 46906.71 13117.36 19177.44 23148.86 90923.36 30468.46 18792.51 33041.74 17461.59 27102.55 40935.09 126204.28 18281.03 18286.16 18311.68 19449.39 18276.8 18280.9 18551.1 18551.31 18725.16 Trp-Gly-Thr 4059.92 4638.04 5814.23 1063.39 6215.46 3949.47 12430.56 14239.53 19168.14 8993.91 3805.58 1988.75 4260.74 10813.82 7004.85 10719.94 1314.12 2602.07 4556.31 3930.71 6313.84 4382.43 3200.5 4227.33 8255.77 7273.53 3272.53 3157.14 9334.83 12912.25 11385.4 8988.61 3878.31 6653.31 3308.72 4709.97 16322.05 72087.71 7543.23 2849.37 7381.7 24853.66 4120.27 8203.81 6757.3 7082.22 12443.36 9942.01 8553.45 15690.69 10136.66 8051.09 8178.65 7813.34 6064.25 16938.67 5563.75 3622.02 16123.11 11006.38 3084.59 6195.36 5164.89 6672.48 4063 5858.81 11846.15 5741.1 5458.28 12675.56 6054.92 12846.88 27402.79 15172.88 5423.15 9609.26 8867.81 9051.48 9624.42 9013.04 9546.28 10245.69 8851.54 8855.61 Asp-Pro-Tyr 6633.88 3796.51 3901.68 4552.23 3475.8 5958.16 7465.98 10911.21 10255.87 5049.26 3384.33 6952.93 7654.63 9285.3 10566.73 14101.22 9002.56 10640.84 19404.75 6785.22 6777.14 4556.54 3906.42 6466.39 14182.53 5925.74 6336.28 6440.49 19411.54 13753.3 19575.12 23614.71 608.71 5406.85 6674.8 9978.46 7424.41 487.45 3522.83 8535.8 12746.93 12167.81 7018.29 8029.59 11380.1 7211.17 2866.81 11093.19 8492.83 19621.6 8872.24 1859.86 4125.65 4080 6842.23 1715.8 4172.2 4530.23 9268.21 5961.06 4639.75 3794.41 8174.5 2797.01 7750.62 7584.87 8594.51 10067.74 11140.12 6226.07 6523.06 7913.97 2741.15 5815.7 7791.12 9027.11 9212.39 8152.78 9101.1 9162.65 9476.77 9024.29 9026.33 9178.29 Malyngamide I 22783.47 17794.33 10758.26 13940.41 20374.73 50297.9 22635.83 24460.63 28862.86 21323.4 20665.31 25898.5 15593.18 16266.83 31944.57 16365.32 5943.59 24501.32 28776.05 22387.83 24609.32 16645.21 11953.24 20216.35 32426.94 34040.85 19443.76 16547.2 27616.16 9460.94 12382.66 31536.33 16811.27 5760.21 18735.76 27952.91 38009.63 5543.91 9309.21 14042.55 12945.21 40389.7 12002.31 4763.06 30479.28 16758.82 26704.76 6081.97 10923.45 25825.4 18345.51 28171.24 9800.38 21152.25 25191.9 11245.13 11273.94 10506.69 19557.87 17062.88 16199.03 7856.33 25584.97 13555.44 8397.72 37956.58 30231.47 18585.21 17592.69 25105.74 15296.37 28906.58 16708.6 16582.92 16572.85 21089.95 23543.58 18882.1 21748.5 21754.69 21041.98 20921.9 21123.95 21780.2 N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide 452.06 287.06 237.66 178.57 4507.95 27580.02 5204.55 202.8 922.29 1226.14 1575.68 1256.13 1872.24 443.31 1627.46 306.04 754.2 265.69 1211.98 1806.07 1797.5 977.75 177.88 457.51 512.83 850.53 775.47 1053.62 2081.1 1203.94 862.1 27255.98 1097.96 629.13 1155.61 1987.55 493.49 252.65 676.37 715.06 1742.79 1798.66 202.96 1180.73 715.99 711 891.57 2016.15 807.05 1587.21 716.12 255.86 722.49 599.81 876.01 1312.19 124.64 685.93 1361.2 1679.05 173.27 457.42 621.34 457.79 445.56 1154.49 1400.57 657.69 598.44 1410.42 764.15 972.78 163.98 775.86 874.67 1427.91 3539.86 3288.88 2698.58 1511.65 3227.44 1671.88 2455.5 1180.43 1544.41 3132.42 1708.62 2746.89 3164.14 2186.38 2851.63 2121.35 2791.08 1402.2 2802.75 1642.75 1837.12 2553.31 1142.19 1813.56 3531.05 3527.62 3569.85 3653.65 3662.81 3653.44 3577.6 3652.76 3547.58 Tyr-Tyr-Thr-Glu-Phe 2016.42 2449.79 537.31 726.77 1937.24 5652.7 871.01 2010.16 2177.85 2006.59 589.74 762.68 817.9 3162.16 2624.85 1926.6 2034.98 2590.93 964.17 2941.65 2476.87 1651.45 631.87 571.97 4792.96 2060.57 2117.65 1841.65 6927.04 2466.55 2104.41 607.85 908.4 1495.61 1877.33 715.46 2395.08 1211.04 2789.87 3075.51 708.81 2250.65 2206.44 2468.4 964.16 2110.38 4542.69 6425.69 809.78 4953.17 1306.58 1895.78 2198.86 1414.8 2518.64 864.2 1817.11 864.19 744.65 1076.83 2095.69 764.44 1425.88 3205.9 516.14 5543.9 4372.38 3145.78 3573.43 2167.24 2750.4 2446.46 1874.26 2904.48 4160.02 2260.56 2264.54 2204.43 2117.83 2024.96 2482.46 2200.93 2303.75 2177.94 Val-Tyr-Asn 2813.69 4636.43 1184.15 849.19 4491.5 5021.2 2822.23 7077.8 9268.35 1960.93 2476.92 1501.59 3548.21 3230.66 3748.84 2651.02 1201.02 13826.6 7141.53 15672.74 8827.42 19392.27 1685.72 1305.94 8139.73 1706.57 6042.93 1048.55 913.46 1816.96 8132.55 3107.46 1086.61 4657.04 2430.83 3043.78 10179.16 3016 2796.44 3833.4 8208.59 16697.19 4858.96 3258.34 7089.28 8407.57 6013.95 2459.49 2489.67 5922.65 9696.28 9546.22 4568 6980.69 6436.19 2098.73 1459.77 1986.29 7515.13 3385.48 2973.09 6643.97 5841.74 3564.61 6258 10873.73 12664.79 2636.32 4607.15 9166.71 9353.02 4485.24 3848.92 7276.57 1829.94 8498.97 8175.89 6869.55 6664.47 8622.98 9875.02 8039.18 6790.43 8263.22 Thr-Asp-Ala 7814.08 10108.59 4668.49 7127.62 12669.3 13730.32 9729.85 12310.98 9673.72 8956.3 10070.28 8240.84 10072.59 3019.73 12730.88 6252.41 6475.35 3499.94 9164.32 13396.85 12234.04 3192.07 6519.88 6836.43 10524.24 14032 9255.16 7877.92 11525.52 7113.7 9943.33 9664.61 4147.92 10163.72 8579.42 4401.59 7556.14 11253.01 8126.17 7647.49 13594.18 15787.24 9225.68 5698.39 12152.49 8726.79 10581.26 5743.6 4541.44 8648.02 9503.93 11985.37 5206.36 2376.89 8188.46 10143.24 4072.67 6708.45 8207.66 3389.09 5258.47 6494.69 9416.31 6867.95 3511.57 12576.32 12392.78 8428.85 5583.33 8544.87 9467.66 11605.03 8582.25 8551.42 9669.04 10213.06 10251.38 8882.83 10178.6 10085.47 10202.53 10210.79 9526.41 10236.44 Cys-Pro-Lys 4500.55 10534.63 2833.05 3469.41 7125.11 17281.66 5878.3 4746.71 8017.76 7382.53 3865.58 3225.09 2962.96 2302.75 5567.34 4608.89 1106.69 5341.81 5565.67 10453.77 11087.06 5462.12 7067.51 4354.14 2355.02 5802.05 6898.21 5457.93 6786.32 3888.13 20681.53 9863.84 5507.51 4845.9 1973.24 4483.64 1420.46 17828.35 1041.7 2720.41 12036.65 10989.9 1148.78 2396.99 15390.29 7066.54 16954.19 3018.54 4748.86 2803.23 2379.19 3808.88 4380.75 8642.76 1362.68 9531.37 2428.43 2305.69 2466.51 2431.28 3056.68 6635.37 3992.95 9227.15 2128.71 5197.37 9069.7 2541.22 2364.48 9010.21 9780.87 12561.56 2153.03 7250.23 5482.49 7961.68 9784.6 7591.12 8698.53 8626.75 7725.34 7459.4 8605.88 8251.26 Trp-Thr-Glu 3149.98 2843.46 673.87 349.73 918.98 7787.69 5172.53 2735.42 2071.9 399.17 2615.06 2381.75 14480.67 1509.78 5658.94 6968.47 1310.74 1838.73 4502.5 5004.91 1985.75 390.19 3200.83 5076.61 2967.55 2811.1 3600.08 3834.31 1817.52 1883.33 4128.17 15000.78 2214.37 4015.35 1630.89 421.17 2069.49 489.87 3138.77 524.65 2953.12 977.41 1903.82 1988.27 1010.71 6190.45 1403.75 2348.09 700.94 4180.17 1187.26 2694.8 1811.04 2418.98 3169.06 1111.95 1378.81 584.5 1994.6 2171.34 2609.05 1937.58 834.95 1383.01 2352.9 8248.64 2674.54 1496.47 726.58 3073.77 2120.15 1949.61 799.28 1657.78 2202.21 3075.83 3141.79 2997.38 2936.66 2914.4 3155.17 3146.17 1861.53 3478.22 Glu-Leu-Thr 1453.03 4564.07 4375.45 1025.36 5751.36 427.86 6879.01 15011.5 7493.53 4245.35 2902.09 3558.46 2698.08 837.43 2118.79 3770.65 316.97 17093.73 17411.21 2862.58 3614.34 7627.64 627.86 481.08 2213.68 2082.47 3549.4 908.7 1736.87 316.3 3489.32 15058.74 13432.94 615.99 1795.87 5314.35 5147.77 3298.06 831.21 3603.47 3715.75 2590.24 4029.64 1443.13 7579.35 4623.61 6372.88 1546.46 3403.38 4079.56 3946.19 5667.26 3361.29 6261.04 8694.79 5773.21 1020.91 3741.7 9702.85 4948.12 2260.18 711.51 16085.49 5544.25 10422.28 4647.15 6347.23 2350.94 1525.87 8758.95 32369.47 2518.57 5917.13 7696.83 2783.73 6968.71 6392.11 7088.22 7012.63 6337.17 6012.91 6340.85 7565.79 7404.75 Arg-Trp-Tyr 1025.15 3851.43 4976.99 2205.88 3032.25 2216.45 4331.37 11521.06 9998.67 7410.41 499.03 4369.48 1059.1 1872.62 2092.65 1411.28 456.97 5053.13 2815.19 1508.91 9038.48 3205.8 1097.98 1180.83 712.21 5115.86 2519.53 2018.54 8543.49 1418.76 8361.58 9615.78 1669.29 8730.45 4485.28 7686.28 3476.54 4154.17 3057.03 2269.43 7655.57 5821.09 3226.76 2158.5 4877.11 1148.3 9044.29 10221.16 6994.06 6837.82 4864.71 7088.51 12329.19 5426.8 3910.6 996.14 5568.75 2250.17 8029.61 6038.55 5150.02 4950.65 4543.28 6566.7 2982.11 9185.76 10244.65 4075.07 2912.55 10798.19 11854.14 5064.37 8069.53 3420.8 5703.14 5481.39 2402.49 5101.88 5852.53 5382.04 5688.13 5544.68 5686.59 5806.19 15-epi Travoprost 1413.03 11437.99 11649.06 1068.03 10897.63 15941.16 7879.12 2237.76 5588.91 16488.31 5170.04 2948.16 741.76 11891.65 8529.63 13090.98 2327.33 7662.81 12118.28 2332.31 12791.78 14041.05 481.61 4202.04 3600.24 11927.34 1042.42 10562.55 9131.56 8858.44 10404.31 10970.13 2816.79 5000.85 12457.25 17835 19796.19 14635.25 21143.35 7528.68 9326.12 12519.38 17814.93 13962.38 17749.62 15414.13 12253.72 11513.8 7782.04 13301.71 15084.07 11547.45 9882.87 9911.32 7566.73 12088.93 12786.85 11152.66 10234.25 6162.77 4895.11 10120.11 5950.83 15756.03 11139.4 9855.94 9720.4 14029.39 10742.99 11480.87 15797.76 17677.59 5476.55 6778.72 7647.51 12525.21 13340.74 14528.41 13492.77 14605.13 11601.69 13392.64 12559.19 12689.58 Tyr-Gly-Val 8848.87 16140.47 1366.35 5091.11 23244.24 18464.69 1182.7 9834.69 20661.94 8335.85 3649.96 5100.9 3252.17 5972.78 16777.76 958.52 4622.68 7651.4 6112.76 9013.85 13293.89 3446.26 4632.02 4485.62 11209.63 19712.57 1899.33 3736.19 6744.34 8291.88 12031.6 13754.08 7624.88 847.64 9205.47 16607.97 27921.14 14089.06 702.94 5171.23 12285.22 8023.19 5430.24 608.2 9749.81 2339.09 8537.73 980.25 3887.78 1663.18 16878.88 15008.41 3543.21 4488.99 10695.59 7393.71 1663.11 1376.44 21893.52 2735.29 7722.23 2211.66 8332.94 800.42 5277.49 18277.92 12211.23 910.3 6520.07 21099.12 11644.34 5239.59 945.94 16131.23 1189.99 10083.71 9913.39 9332.25 9312.09 10071.64 9332.95 9345.81 11574.73 9997.35 (E)-9-Octadecenoic acid methyl ester 3230.08 268.07 4294.53 9475.91 19902.06 33790.93 21586.56 4279.9 3293.25 1399.52 1246.64 6761.55 26727.44 3340.38 4479.98 7486.22 771.66 5070.26 19143.96 13561.14 5297.95 462.84 2322.58 2966.94 2452.26 5248.79 1608.56 2671.81 5796.7 3065.72 9652.81 10249.97 543.01 3518.72 2526.52 3752.31 4286.46 5494.84 863.26 2389.18 13750.24 7200.63 1395.05 1515.34 3535.16 10678.88 5078.46 7904.67 1660.73 25222.84 4803.34 1052.16 3365.73 11926.14 3598.94 916.48 394.34 351.88 1370.99 8949.42 876.37 2579.87 2134.54 1604.76 2206.64 13526.53 1967.23 4204.06 1877.4 5898.37 3057.92 3262.26 2412.11 8252.71 129452.27 8869.36 8772.7 9009.49 9064.77 8933.84 9304.25 8845.18 9060.69 9069.52 Lys-Gln-His 10205.95 8039.81 66617.93 5758.25 1978.56 6399.19 7998.87 25275.51 65166.36 11214.49 4895.49 12559.84 23732.11 57159.67 3557.8 6158 41041.46 13214.59 15997.21 40825.53 41261.8 21006.99 25899.16 55746.22 31462.27 63426.34 38762.95 67986.02 17154.37 45473.75 128781.54 71415.95 1552.68 52600.99 51779.07 37263.52 23523.75 49882.86 31889.27 48714.85 79155.12 91217.98 58412.09 55583.43 73577.25 58754.05 22681.12 73277.76 88316.26 68564.17 50051.57 73748.65 62906.81 87450.37 55400.16 61938.3 46073.59 50357.48 26001.33 17445.93 41215.64 28476.7 53259.21 40216.62 44610.81 78958.42 81718.62 55291.01 64040 18598.54 31139.66 51075.37 57628.62 70585.07 63662.67 51732.39 54241.86 55999.51 56033.26 53420.25 53359.32 56268.51 55526.45 52932.02 Methylone 9245.89 7999.32 5068.7 4591.5 36642.99 5410.99 1328.54 1204.56 3943.35 3619.27 5677.88 12804.11 6071.82 5696.26 8497.65 15336.4 8187.13 6555.5 16729.88 9468.7 6972.99 15249.05 8445.95 9899.41 7875 10908.43 19889.15 9910.43 3460.8 4491.19 7741.56 17707.3 6755.76 10084.15 7289.11 8564.59 5096.16 8268.35 10968.62 7517.67 15127.21 10165.58 12623.8 4394.41 5488.27 8596.27 5048.36 10999.21 5251.73 13385.92 8288.38 7426.45 7360.88 8605.36 4827.26 9884.94 3882.41 2542.55 9532.61 5578.19 3003.31 2148.82 2432.08 8423.92 8460.65 13185.16 7618.21 9682.72 4740.61 10293.27 8803.21 13426.14 8015.73 8026.28 9513.36 9586.4 7648.35 8069.98 8039.32 8100.77 7458.19 8834.38 6146.66 7591.89 Pro-Thr 3727.91 5175.08 4636.62 5960.13 4801.62 4005.47 4702.27 7336.85 3968.51 1989.2 3616.41 4026.38 4453.08 3954.6 3057.13 3102.62 2562.09 4171.71 6181.67 2897.68 3446.69 2038.64 3240.42 1625.95 4301.54 5024.2 4746.22 2079.61 4071.11 3563.4 1075.02 3809.75 2305.48 6202.4 2889.54 8638.01 5143.77 2817.17 3404.86 1973.13 1139.75 3447.95 4408.01 1036.64 9735.79 3168.28 2597.41 6523.67 2357.87 4990.68 5107.5 4401.61 9319.76 4035.1 4595.11 4404.46 3324.5 3582.93 4280.18 2887.44 6217.56 1830.72 5222.37 3326.46 2898.13 3792.11 1887.75 1680.9 3137.86 7646.94 4328.2 3084.51 4466.23 1532.89 4090.75 3968.82 3843.44 4002.31 3898.68 3902.41 4024.02 4003.14 3894.09 3905.86 Trp-Ser-Lys 12535.11 33722.78 6056.15 2243.38 19295.45 23430.31 6317.72 24777.01 21419.3 24228.57 15609.79 35090.82 14482.6 20616.02 118909.23 32214.22 17794.43 43398.41 62015.56 19403.37 30866.21 85102.42 11511.91 35385.38 31530.75 25538.26 29552.8 10289.12 56575.14 16813.09 31334.15 52195.32 64769.93 11048.72 17434.25 35427.7 26749.38 26379.23 7169.42 10055.35 18544.27 39084.28 20035.16 11788.91 83005.74 7392.1 26266.37 39584.17 18002.98 36736.08 16467.25 36280.57 18492.79 16070.94 21844.31 44170.41 9844.99 13220.98 44374.01 30077.09 20766.89 23868.77 22746.88 19487.44 13467.04 38706.13 30576.36 15291.31 19769.03 54721.2 23578.9 47636.63 18402.77 21222.39 8140.26 30401.58 30380.4 30390.95 29808.26 29947.03 29965.97 30337.1 30573.67 28212.23 Foetidin 3681.13 3680.66 118805.85 7320.5 14446.6 33534.45 7042.49 10881.35 22729.53 15362 23909.42 27044.88 5035.45 5529.68 9994.7 101710.72 95973.56 17076.65 12257.62 3212.64 32101.87 1849.78 3843.54 2635.25 2840.39 1235.7 2127.48 3859.39 1541.94 2521.66 1581.17 14599.29 19492.81 33067.35 126971.64 7512.51 12445.4 24654.44 17444.91 26851.98 11142.96 10356.06 53411.12 16898.95 10229.46 37018.83 10274.7 13213.31 6853.88 52731.24 6183.88 10545.43 18604.32 56853.43 7078.78 20033.44 53830.36 22116.5 10488.52 45042.07 33316.85 26180.75 13823.82 39567.86 25477.33 22291.68 15932.68 13031.1 46093.82 16156.75 14941.61 23978.77 23318.2 72118.72 32043.33 23702.9 24803.97 27811.96 22469.2 24791.27 22517.44 24704.34 24613.27 23562.35 His-Thr 2600.73 1321.53 3076.29 2787.7 1895.94 2154.7 2161.05 1104.41 4311.68 2912.55 546.78 1171.87 1648.65 2223.48 2414.7 3878.22 2953.23 2612.95 3457.88 2512.18 904.36 1553.28 1707.97 3965.44 2914.15 1927.88 2432.29 3875.78 4319.93 2146.11 2466.75 2875.74 1443.62 3458.1 3397.02 3736.61 3424.1 2886.85 3808 1853.35 2839.15 3478.92 3856.63 3177.36 3307.3 3210.53 2592.73 3131.64 3604.63 2591.04 3810.4 3081.23 1484.72 2998.91 1205.95 3337.7 2859.68 2309.22 3731.06 1535.39 2464.41 2327.6 4007.09 4567.28 3742.74 2670.73 1833.49 2588.03 1574.84 3472.34 3185.66 2491.09 3531.78 3468.51 4648.76 3544.97 3572.06 3440.36 3242.2 3960.11 3453.79 3451.39 3493.31 3583.74 Tyr-Lys-Lys 732.46 4563.86 2002.72 1711.89 3216.72 2217.86 3509.5 4349.35 4134.01 3699.83 1266.76 2581.75 5010.47 4564.99 2122.84 1113.42 1254.83 1911.27 1184.95 2076.47 2303.87 1975.43 9281.41 1385.55 3799.01 5572.25 716.34 3235.5 12422.5 8425.15 2278.14 1463.23 1390.62 1906.16 3146.44 10373.1 3983.15 3886.27 1709.48 3136.27 6380.57 6274.91 3421.39 1464.78 4441.01 2420.5 8399.21 5298.88 6980.21 7981.14 3677.99 1323.27 1201.42 1184.78 2877.2 2445.91 1079.26 1620.4 2611.87 2970.74 994.54 507.45 2646.02 1861.46 1941.92 4031.84 5149.33 1667.36 2527.3 3625.94 863.11 1781.54 2600.62 3919.66 2622.4 3764.91 3591.2 3691.13 3631.54 4193.27 3561.54 3776.66 3383.78 3571.79 NCGC00381206-01_C40H60O10_1-Naphthalenebutanoic acid, decahydro-beta,6-dihydroxy-alpha-(2-hydroxyethylidene)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-, (4E)-4-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]tetrahydro-5-oxo-3-furanyl ester, (alphaE,1R,4aS,5R,6R,8aS)- 82.64 425.51 231.26 1421.52 5837.69 13641.21 4857.64 726.88 562.25 395.52 202.36 481.76 143.69 490.4 193.23 701.44 185.77 262.79 230.58 279.27 102.69 1121.36 222.69 308.41 500.42 308.24 96.19 514.31 814.08 185.02 159.21 607.05 224.46 796.33 418.1 580.97 420.42 287.06 212.51 600.57 5964.89 456.25 341.13 134.32 192.51 5597.64 595.76 845.78 431.44 1647.6 858.5 562.71 506 813.51 1229.04 436.27 531.43 147.94 137.56 1194.95 164.73 1084.86 276.95 237.32 314.47 1000.29 221.7 175.52 449.16 269.31 138.07 332.46 489.85 589.43 1062.98 3092.41 3019.58 3087.26 3050.23 3015.37 3369.52 2902.36 3033.7 3025.7 Clebopride 2867.22 3539.27 921.72 1899.9 2046.76 4316.85 1983.03 1316.37 3434.61 4611.54 8628.53 8473.91 5667.51 5628.82 1586.82 5917.28 3080.73 3659.28 5247.3 2189.23 2637.98 2563.12 2797.14 6262.65 1626.37 3522.81 6702.85 9184.43 2334.42 7571.22 4682.22 3011.33 2692.9 2852.84 1292.87 5125.41 5966.65 3467.28 948.88 1589.5 4288.34 8738.91 6979.58 1685.66 3994.08 3761.12 3350.31 1906.06 5880.33 10303.23 6580.59 1738.73 2777.81 1139.84 4130.07 3309.88 1171.89 494.04 2892.72 2561.02 1539.34 5051.29 1311.24 2172.9 3962.16 8104.45 5174.32 1139.27 2877.84 1613.53 2864.5 2773.63 649.88 1114.1 3140.52 4744.06 4933.78 2579.02 4817.04 5425.36 4782.51 4726.27 5125.89 5105.44 Phe-Glu-Val-Glu 20439.97 4813.66 5742.6 18020.32 9950.95 5362.2 8710 10922.36 19887.26 15485.29 1851.56 12231.33 13624.59 16406.82 9983.51 10863.68 30432.53 9963.23 15843.25 9694.24 12619.47 12400.74 14195.47 3468.26 13091.91 13307.78 16555.08 19811.14 7292.61 8965.07 8225.32 13257.39 7594.55 7650.52 5701.58 7392.99 7367.05 6568.8 13598.73 7560.81 7442.92 7557.16 17301.01 4799.84 10702.25 6110.32 10708.13 10046.44 3687 3644.53 9653.83 3013.9 14717.56 6985.34 8581.77 4547.64 16691.11 14784.5 13441.2 12061.49 23957.09 6265.37 9113.99 9795.09 4410.88 6716.54 3314.33 4568.82 5012.58 6152.44 8321.63 11742.1 26982.92 4342.18 16009.58 8126.26 8364.47 9020.96 8097.93 8358.49 8835.64 8407.72 8085.47 9076.76 11,11-Dideuterio-N-(2-hydroxyethyl)octadec-9-enamide 848.68 632.83 5550.1 3959.93 4210.39 999.49 4319.11 1396.16 2711.76 3077.09 40901.23 9866.22 10175.08 3720.46 4935.29 4696.09 594.96 5010.6 2049.08 4990.13 10755.61 2629.62 3213.99 3344 1019.39 3943.28 2909.27 3940.99 987.72 583.81 14791.99 2431.3 3468.98 2982.52 1405.06 2937.52 4629.89 6851.62 711 3792.92 1780.7 9424.24 1062.36 2860.39 7400.29 651.85 5031.65 2903.18 4749.8 13987.46 5992.89 3983.91 1067.43 20162.85 1986.29 656.99 8601.81 4358.08 3946.93 3268.43 10282.45 1698.99 2676.99 4704.58 3816.82 16732.56 10607.61 3692.33 1088.72 2079.66 2119.95 2660.95 16315.87 3040.08 4063.78 2372.96 2203.07 2515.49 2606.6 1927.29 2718.42 2385.59 2279.65 2390.59 2239.98 1811.77 2013.69 2369.73 2552.67 1973.58 2207.35 2793.51 2339.17 2265.26 2177.68 3048.89 2514.76 2657.28 2277.15 2811.87 3683.84 3804.15 4098.96 4018.87 4010.86 4367.13 4015.9 3987.66 3705.63 cephalosporin C 346.74 628.18 14912.53 26916.25 2298.35 43516.31 6575.06 344.12 1349.77 391.91 2329.15 2133.21 333.81 1978.65 4777.7 1419.35 336.03 3113.26 3750.97 762.88 4332.23 39009.18 4598.9 3364.17 2524.5 9509.98 2528.03 2837.43 223.84 1409.02 1739.99 6010.9 1847.51 35688.43 1183.73 953.21 3845.64 45344.32 435.13 2938.53 1486.21 825.85 1180.91 433.24 1482.62 293.33 773.98 4081.82 189.93 276.62 2732.12 3561.89 275.57 205.54 192.15 2009.51 13624.29 11228.17 499.93 29403.24 456.42 3512.33 404.1 352.59 750.79 249.15 2103.48 2447.2 2722.05 2961.09 1564.64 734.78 311.98 1366.01 381.6 4894.27 5342.78 5494.49 5247.1 6410.43 5266.98 5141.78 5518.47 5153.73 Ile-Ile-Leu 898.76 1271.12 352.54 699.64 1865.31 2990.97 1876.57 909.63 1803.7 1443.03 2569.19 2931.39 3575.88 1244.29 1099.91 3667.75 724.1 1701.42 7430.2 2423.09 2109.91 1937.58 2612.89 1263.01 1007.14 2580.13 1721.98 1637.66 1462.46 2327.8 1362.44 4757.3 1330.49 3535.9 1796.11 2746.49 459.07 1425.09 2364.08 1046.39 903.37 11720.52 3577.27 2383.26 2089.09 541.52 2594.95 1829.85 4024.21 4761.5 3495.24 1234.39 1282.26 524.27 550.68 2016.57 577.62 770.27 441.54 1477.3 1384.31 1267.71 3121.46 1271.48 531.43 2445.56 2252.11 885.53 424.72 874.01 477.69 2302.58 1984.34 1553.97 526.03 2240.88 1972.38 2416.96 2419.23 2300.57 2276.12 2422.17 2247.28 2398.11 N-Cyclobutylmethyl-14-hydroxydihydronormorphine 639.75 2193.33 2859.4 1680.87 3530.97 14809.91 3515.34 902.23 883.56 535.46 659.64 1086.14 900.81 1796.8 2315.86 1427.25 956.61 1381.54 717.3 879.88 615.87 486.11 978.62 1011.59 962.56 1894.46 982.1 245.4 3006.76 1340.84 1026.41 8550.41 288.09 2042.1 1473.72 1942.42 387.96 854.03 500.28 1795.58 355.21 359.08 354.67 1724.33 1451.46 1496.75 631.26 274.41 776.91 1633.2 2885.92 1828.33 319.04 1748.71 1402.12 459.16 2082.93 322.54 193.11 548.3 180.61 728.6 308.17 1688.19 1384.77 350.88 1516.63 386.38 484.85 590.69 277.05 693.87 805.08 740.67 1191.24 3781.25 3752.91 3670.42 3669.2 3847.72 3826.38 3991.08 3666.17 3830.43 Cannabipiperidiethanone 4802.98 3604.28 1755.75 3084.9 8879.7 10173.11 2183.67 2622.37 7153.62 3466.92 973.73 6175.47 5224.84 4363.66 4268.21 1660.45 1299.06 3761.42 1690.48 9236.8 7575.62 1458.09 1955.2 2701.8 6012.4 2577.62 1723.86 1455.78 14377.82 7507.91 9343.74 1446.08 1930.05 1529.53 3777.46 10320.81 4292.2 4924.05 1101.31 593.01 11514.23 7396.2 2010.21 545.18 7605.91 494.85 14249.81 4898.43 4502.87 11916.86 2205.05 1482.96 939.36 1101.6 1980.91 4668.34 855.98 633.5 4351.86 2522.04 382.9 1571.05 3015.03 2219.6 529.04 2971.93 6608.63 1280.61 830.23 4282.6 3649.33 1258.47 875.98 2011.81 1780.5 5746.28 5206.77 5372.62 5180 5390.38 5285.36 5039.42 4956.13 5348.88 Trp-Arg-Thr 8350.57 20868.16 5106.02 1473.93 5976.03 3365.64 5118.32 15730.71 13360.87 3785.1 2269.67 3823 4092.6 1123.17 39232.55 1570.67 23028.02 20894.5 24642.1 3338.25 2082.1 2416.04 1459.06 2476.9 28918.57 5898.82 11159.28 7969.61 5007.42 560.14 21110.56 17195.18 36503.07 7536.19 6591.48 13947.82 24080.9 2098.18 5555.06 6761.75 10827.51 1425.55 9006.88 5344.71 20640.41 4844.41 11168.14 11600.57 994.37 7408.47 1614.47 9734.87 8159.59 5961.03 7122.52 17822.6 798.87 5619.85 13272.6 3520.89 7721.63 5110.69 11297.61 14443.37 8517.17 11383.34 15731.57 5895.71 2578.21 23842.21 32080.07 16801.86 4795.73 8814.16 1997.14 6933.94 5441.64 7140.23 4128.23 6120.16 6275.88 7232.36 7289.4 6980.95 His-Asn-Asp 1357.48 677.23 129.54 17756.85 14142.51 18010.75 12260.08 897.72 519.4 681.25 563.3 114.48 4574.01 253.76 875.25 2479.25 450.22 146.28 849.33 760.67 187.48 3506.7 95.03 383.57 171.67 333.9 247.97 412.46 1286.05 1422.07 936.29 1735.23 496.99 4728.22 718.5 639.35 359.86 3446.94 614.37 1191.79 4466.53 956.47 558.09 613.51 724.64 5281.08 630.35 864.94 553.52 286.57 2069.82 130.8 569.71 1047.85 2822.47 661.05 575.55 807.75 597.19 2535.39 621.62 3157.85 668.95 241.28 441.75 1655.14 745.33 418.06 670.14 471.44 708.34 152.74 731.77 364.28 2254.64 4801.1 4763.7 4752.97 4689.33 4684.55 4815.74 5155.61 4642.88 4723.44 His-Tyr-Tyr 2080.28 3154.38 484.6 426.79 1356.52 2024.36 1643.13 770.59 3770.39 511.76 1138.43 1468.61 955.61 2960.99 2299.49 936.53 688.29 700.76 1009.8 4467.69 1705.07 872.37 1892.62 2018.57 2012.68 1285.98 605.59 1001.02 1670.21 369.91 9175.11 2134.71 2784.96 446.45 1429.94 1647.44 1864.23 1266.3 1458.35 1772.13 4317.05 2626.52 1394.32 564.22 2578.1 2783.11 1915.23 1379.91 953.94 2407.05 2430.74 590.85 1296.03 1843.17 1754.89 1317.79 584.83 601.97 1577.15 1596.26 931.32 1293.89 2913.88 751.72 1095.79 1173.42 2644.66 600.36 866.81 2305.08 4585.24 1790.56 1454.15 1730.79 1174.97 2529.77 2642.77 2453.94 2630.54 2458.81 2670.24 1749.73 2721.06 2330.06 Strophanthidin semicarbazide 16113.98 8693.38 383.33 2883.72 19863.33 24759.95 537 35621.43 23738.03 13556.69 5491.24 11873.35 3841.12 7020.11 42568.72 10190.89 323.97 55628.86 29561.4 81079.89 33911.47 10647.93 5646.73 7764.99 890.6 904.36 8535.26 5161.16 61084.34 558.85 26935 120860.8 44918.6 7999.24 2888.98 36952.36 26341.22 7151.34 3768.72 2822.98 17376.04 29087.68 14634.42 4982.9 41679.4 1160.31 47602.27 23847.67 29041.64 37660.67 9134.88 15918.7 6473.62 1570.12 8315.44 17477.76 546.66 4048.37 52172.37 445.13 4573.81 361.76 17149.98 17001 18924.36 6527.65 25264.26 2685.83 3460.25 36323.18 13519.64 10996.01 15074.57 3022.69 594.9 20509.78 21802.07 21049.14 21937.72 21487.11 21015.57 20973.16 21477.06 21053.05 5S-Hydroxy-6R-(S-gamma-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid 20379.4 23418.12 36892.47 22961.52 28506.67 5487.27 15740.21 32820.97 29251.54 22604.4 19531.79 16834.1 1301.77 863.9 15278.67 34603.94 23566.8 1583.61 39839.26 1180.44 31659.66 11227.16 31979.9 24039.65 31985.91 24011.59 24212.32 2401.02 40246.49 25186.54 1169.02 2417.84 31218.28 35236.11 23302.85 33728.73 26844.09 8890.79 18759.68 18940.49 12228.62 13335.09 24618.08 1814.4 5695.49 14394.51 25361.83 29560.45 32682.47 12958.79 9329.75 23639.41 23801.89 15068.62 33482.26 14460.89 26182.33 10925.89 24314.1 3633.89 23537.9 17940.56 27650.44 34597.26 26121.54 20361.5 3119.42 17876.27 3753.5 32235.39 19524.16 21688.87 11771.86 16786.27 21497.89 22299.91 22110.72 22360.62 21874.8 22920.58 22169.81 22313.24 19766.36 21684.9 Leu-Ser 7772.52 12024.36 9256.72 10693.8 22356.41 16439.77 9936.23 30972.18 38937.41 14572.62 6951.68 6599.32 3372.53 5255.9 26901.63 11492.58 6313.24 13555.07 11299.12 15146.96 14508.84 10216.07 4635.71 8232.56 26793.12 33448.84 12982.69 8257.72 18348.75 5378.22 8773.24 9040.67 19869.58 8539.34 8251.46 14154.26 17752.52 8973.39 4040.95 14844.6 6057.32 8155.29 14513.87 4869.11 11438.25 8694.01 14513.6 7176.07 11204.32 7188.18 10846.99 8241.69 8793.75 12099 13861.01 11678.3 10740.81 15099.3 17306.57 11643.42 5344.59 5290.26 17465.85 11042.24 15301.73 13852.18 10884.15 5449.35 5929.36 22919.68 22559.09 7920 8998.44 15247.82 7235.8 12869.52 12733.07 12747.77 12900.05 12279.82 12862.68 12862 12730.51 12733.79 Lys-Glu-Tyr 730.16 4122.11 930.59 2450.35 9552.99 9329.71 821.84 7467.24 6090.45 3160.31 2105.66 1496.49 2092.34 1244.35 5076.67 2382.94 945.9 2093.52 1381.91 4481.12 6136.24 6481.34 1048.76 2316.06 6647.29 6042.51 2322.3 920.29 2209.07 2169.68 2189.42 766.6 2467.44 1514.64 1337.83 2728.16 2819.87 1604.75 606.62 1005.7 3079.55 8277.26 2140.84 545.44 3387.97 757.89 3179.13 872.97 1068.78 1364.49 5288.08 4016.4 791.77 1537.59 2043.14 3915.15 1714.96 1362.51 5189.98 3596.06 2257.17 2031.63 3637.97 656.76 1668.47 4476.96 6687.58 1977.51 427.14 5883.62 3051.26 1342.72 2070.35 2290.09 430.83 3209.36 2885.57 3027.12 2940.23 3275 2910.99 2575.69 2944.68 3030.77 Gln-Cys-His 2953.34 4704.95 11558.55 10198.87 6454.7 5759.25 10417.2 5515.45 6695.11 6184.1 13568.19 10155.22 11802.12 10163.26 6586.38 11076.51 14131.32 5376.64 16923.56 8465.32 4742.77 849.55 9755.75 11540.32 2313.59 6024.27 9891.15 14303.97 8887.54 4636.82 5187.73 17487.23 12460.96 5121.32 14391.92 2924.24 2154.75 7518.5 12669.94 8302.19 1111.53 4360.92 13234.74 11091.3 2017.47 11927.16 7157.47 10585.5 2617.94 3383 6261.36 8451.83 1304.79 12783.39 3374.86 2096.49 3761.28 8552.56 3712.41 3735.46 11573.2 10962.33 3551.1 14534.09 2949.13 2250.05 12901.2 11034.96 3443.63 4291.87 6067.73 9464.87 10703.64 8012.86 11845.69 6477.43 6243.99 6476.73 4279.37 6599.45 6513.21 7309.57 6784.88 6406.37 Glu-Val-Ala 25756.91 26551.85 10352.39 19977.52 33484.6 25156.21 16814.44 42787.43 26911.98 25862.69 6603.39 8303.72 10162.87 9403.59 46190.78 19200.8 10871.98 30923.37 17151.32 32153.03 31813.3 43584.96 4213.02 12800.78 37129.11 44047.44 17587.76 12941.17 34328.57 5320.25 19189.78 23847.68 24742.57 13014.92 14206.61 31097.77 16405.19 1229.09 8888.57 28015.43 25545.01 8902.79 19172.02 11529.98 31939.79 15667.8 25994.34 15449.61 14009.06 10561.23 21402.2 23516.37 16106.84 17828.99 25108.66 29193.89 12932.42 13860.21 28468.97 15462.24 8485.03 10144.39 34957.72 15294.82 11295.28 15177.79 505.83 8918.5 5445.33 23914.95 35777.62 4843.78 16587.35 20414.4 12956.66 19877.7 20958.1 19956.29 23156.49 19664.91 20962.48 14774.93 19820 19857.08 11-Ketorockogenin acetate 11372.76 9502.56 8867.28 14330.9 11228.16 2458.36 1264.68 17365.19 10800.06 8427.95 14210.66 9005.62 1871.01 10735.58 9270.08 12424.36 8997.76 7022.11 11565.04 10581.63 26213.64 8813.26 7125.86 14565.81 10727.67 9959.98 10343.36 9579.3 1915.15 10042.14 11729.23 11032.29 6358.35 11744.64 14779.22 10380.31 8615.88 5733.08 10413.76 17037.34 10807.09 9827.67 8888.03 10243.95 9671.26 12639.14 8350.72 9701.03 8545.65 7217.5 9187.88 10244.71 9552.14 7120.09 14039.1 7958.96 9491.74 10806.67 14577.14 15123.31 11348.35 11030.81 8206.08 9797.4 12555.91 7168.53 9140.42 9626.41 8786.89 11179.79 7012.27 9577.83 8959.6 8807.71 12140.08 10083.68 9447.42 8016.14 9754.66 9744.67 10202 10040.4 12348.25 10029.48 Asn-Phe-His 61865.73 122052.36 68146.3 67903.48 21382.92 15254.85 19765.36 69195.71 79805.31 70705.09 54483.89 63210.33 66391.93 129792.5 45038.26 41922.67 64092.42 102948.28 46941.85 68163.53 46891.29 42144.45 55327.3 82356.87 73659.87 67274.6 41832.66 75686.66 56505.05 73242.96 160976.19 111229.69 28503.51 37489.31 29236.14 29765.24 28702.92 49041.65 18964.99 13165.49 119154.07 114050.28 55887.2 83452.97 76658.53 69654.34 63430.18 59782.75 117127.35 170745.98 57808.37 123594.09 71266.53 120438.81 24710.34 31387.49 58736.64 77913.35 16415.29 22009.82 60155.99 18412.76 35315.52 37168.22 33941.92 114374.77 133604.28 47489.89 35465 47483.84 45294.62 28044.43 73307.33 29283.13 23799.41 66971.84 68786.68 65536.07 68478.68 68347.56 68386.35 65641.72 64733.28 73286.26 Pro-Trp-Met 5884.13 15326.71 9898.09 1823.07 19564.15 20674.72 790.18 1721.01 26170.55 13749.95 5357.54 3407.18 3479.42 8218.56 18710.5 2220.83 5481.47 16350.1 5340.72 5024.73 3144.48 4123.41 3520.41 9217.53 20340.21 6897.07 5954.31 3666.38 17170.84 2073.62 18628.19 6272.73 10043.6 8458.96 9795.19 15097.27 21910.22 8449.13 1059.12 10651.12 7344.77 4917.95 7192.78 2151.16 16957.92 8551.2 12014.17 5953.6 6349.27 4266.76 5998.56 8577.5 4043.26 7491.19 8410.96 17777.01 5488.86 4427.31 12309.03 5492.64 3750.59 8842.27 6045.14 465.54 2205.13 8574.7 22198.5 4072.08 7164.51 15241.56 20919.45 9278.18 3949.02 3772.39 7848.67 6627.12 10928.36 10152.44 10386.04 10294.29 11404.45 10897.85 10532.23 10834.83 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 4281.33 7726.78 4552.42 9755.19 10528.34 8096.06 7229.83 8811.46 7470.61 7787.54 7285.07 2174.37 1609.53 6202.2 699.66 2783.64 602.09 1991.59 510.72 3546.33 10254.5 7432.63 4635.05 1100.26 2202.09 3258.19 3782.11 346.19 5395.24 1470.52 1553.55 2763.78 2203.31 16870.74 9751.68 13777.56 11251.76 17895 11024.9 10039.73 26439.59 26623.77 12828.63 10525.21 18420.93 12838.45 17473.21 17836.35 16160.81 37011.63 18561.61 21509.77 12983.2 18405.41 11492.13 18261.85 12014.36 9987.82 10032.79 9812.7 9404.84 7974.99 12472.18 10928.19 9022 17918.11 24545.22 12525.96 9878.44 8883.48 15568.84 10510.91 11798.17 20262.67 18121.4 7710.81 22835.36 8500.84 9531.93 8338.72 8405.73 7775.9 8775.64 9408.21 9943.05 27355.01 9374.85 9238.37 10472.03 9034.49 21211.58 10904.62 10178.91 11141.14 9888.39 10986.12 9750.82 10230.59 10753.45 10872.76 17985.57 18165.05 18504.58 18525.36 18148.25 18222.63 18526.61 18598.77 18139.89 Gln-Leu 2709.63 14953.16 7023.29 7614.56 1367.86 4676.26 7038.53 8999.07 19825.81 5324.28 745.01 5670.14 1092.42 763.51 42915.3 14620.69 6841.53 9407.92 20842.72 29759.44 1552.43 11528.79 4054.02 2745.52 31183.23 20132.17 11956.68 836.03 18300.38 1956.05 2427.91 14302.99 25484.6 1783.26 3148.69 13604.5 24413.34 397.5 938.58 2834.46 5065.14 8498.37 17568.43 1210.14 6597.62 1506.71 16006.52 12823.87 2621.11 13900.42 2908.64 2402.57 11934.04 6231.08 11473.96 9481.84 7123.3 9809.79 17090.07 18392.62 8052.76 1171.64 13788.38 8158.22 12045.43 16121.34 2294.65 8267.98 2148.34 14331.38 18306.5 3455.46 3666.2 14844.73 2838.87 10864.59 10951.3 10971.57 12487.76 7814.18 10495.25 10455.91 10976.22 10443.2 Gabazine 27095.96 16640.06 3875.31 4159.47 15040.7 8119.3 1484.76 21318.77 22935.99 16657.43 5064.85 9404.59 5608.76 3049.16 10871.83 9775.08 3895.25 10050.5 12359.42 11075.89 11728.39 2946.56 1115.99 6069.98 25100.24 19446.55 12362.9 17410.36 24595.04 12962.58 19886 17061.02 8544.61 9250.68 3546.77 21590.52 14689.13 8738.92 7099.13 9617.85 19057.64 27819 4043.28 4961.36 20108.8 7678.87 19678.19 11034.33 19263.79 19432 13176.49 8087.4 6370.21 12911.75 15168.38 3566.55 4939.71 2421.13 12160.32 5164.62 3890.97 5612.83 8911.35 6739.62 7352.82 15126.32 12074.78 14941.55 13857.83 17032.99 19706.38 13604.02 10818.65 8774.67 11604.42 13146.02 13106.87 12368.35 13281.25 13815.44 13281.92 13282.67 13100.41 13120.47 Tyr-Ala-Gln 1136.48 568.5 2836.84 502.16 546.9 1369.14 2344.62 3943.94 687.79 12453.93 2364.88 736.43 3351.98 770.66 745.48 16073.48 38963.44 350.21 1091.34 2279.7 951.34 982.51 1584.99 674.72 3660.06 479.9 1078.21 1145.14 876.77 2905.51 1343.46 968.47 13954.58 2467.34 1155.87 560.91 2339.71 1392.34 259.64 370.01 2071.44 2227.96 1814.85 1972.44 2864.32 4994.62 5911.69 402.58 4604.44 734.75 3237.87 1865.93 703.36 1230.45 1193.49 1720.95 22260.6 423.8 4472.37 1842.62 2663.71 1398.64 1460.92 2228.12 768.21 832.91 2153.38 3577.85 1350.27 1519.06 1442.23 760.56 725.7 3488.38 1719.6 3598.51 3140.46 3062.57 4356.05 3481.36 3094.48 3626.51 4051.06 2362.66 Asp-Thr-Gln 10627.49 16604.53 13139.35 17679.11 36987.63 37745.12 24572.63 9348.25 12771.86 19529.23 7226.82 14790.8 11134.08 5620.38 18621.03 25849.47 13530.24 2993.71 9550.45 29345.52 25345.3 13608.97 10450.69 10203.65 16554.54 18368.58 11067.41 11918.36 22245.64 12876.16 18756.67 13320.2 15378.42 12486.84 13257.38 6336.93 12817.69 29171.25 14832.98 10425.6 22429.44 4861.82 14671.71 3715.19 25370.82 22098.95 20459.87 8772.86 16688.08 26706.73 17635 14878.88 16912.35 21701.73 13436.69 15227.11 2695.52 9748.73 18054.53 13034.18 9418.48 7791.11 16238.03 10786.19 8337.31 24618.63 20498.18 5692.43 11546.37 13059.45 13990.31 11556.11 12685.33 2707.1 13927.91 17139.09 17437.6 17250.57 17156.65 17434.89 17437.44 17161.05 17353.34 17141.49 Asp-Glu-Lys 16197.18 6371.78 497.29 3745.73 14388.7 5432.11 7430.42 14430.39 19083.34 6044.65 6532.66 16324.63 6328.46 8918.72 9578.96 8076.31 3829.28 8547.45 9309.34 11981.64 17635.87 3478.26 3211.23 4462.99 21253.81 9249.73 10502.48 8189.75 12627.28 11087.56 15349.4 527.74 5150.03 5020.62 6203.54 12069.34 14704.96 3170.71 3486.65 4879.88 15636.47 15030.06 4307.11 5418.87 19023.83 9677.15 20052.59 8242.49 7104.73 10837.64 14306.04 5447.26 3530.1 7750.02 9633.29 2936.22 4210.51 3699.96 7110.19 4037.74 2561.4 743.38 5347.84 2519.34 4151.4 12517.54 11016.57 20444.97 13513.51 10388.52 9986.3 4659.86 6451.88 3965.77 13078.39 10453.89 9865.01 9813.12 10069.3 9892.26 9815.22 9809.53 9837.06 9225.09 Arg-Arg-Phe 6646.53 6755.44 5853.99 3088.01 11056.13 33225.6 1433.45 5511.03 4956.76 3014.82 2192.8 1212.49 11990.65 4876.13 18664.16 2108.29 3268.66 7802.47 1848.59 8462.92 5078.15 10211.93 1112.11 3805.84 8046.22 6391.5 4297.58 3790.37 6289.26 2100.23 5602.4 4290.94 1008.26 4652.82 4438.37 2420.91 3207.94 6922.34 2616.07 1208.62 5305.65 3747.02 2605.81 1264.32 1725.5 6001.59 1821.69 2429.06 3361.86 5877.11 1962.05 9621.71 2388.5 3406.82 10136.77 10101.71 8157.35 6831.19 2899.59 3130.79 991.99 4163.17 13430.69 5218.46 1700.14 8889.75 5387.72 546.96 1931.12 4633.83 2491.1 4612.05 7894.11 1827.39 3075.79 5442.65 5160.69 5569.11 5440.35 5473.94 5157.57 5105.29 5359.92 4290.44 Ala-Ala-Arg 3299.31 20063.95 5646.78 5376.78 5642.21 10859.95 20558.64 19450.76 22554.08 13819.55 28305.99 4520.94 3424.04 10329.05 22763.07 16754.03 16315.28 6326.26 12120.51 7186.45 9335.79 5131.23 6608.02 7005.83 21386 4313.24 3541.72 6418.23 21276.69 20937.29 18736.46 12394.25 4796.59 21341.88 18039.07 15227.29 22158.46 21328.73 17535.18 15919.87 12190.46 11983.11 14684.09 12334.47 13631.36 7911.21 10023.5 6592.67 11151.32 10244.82 6055.67 13849.23 7459.66 9149.65 18202.11 15433.43 10021.39 9849.76 15775.14 24643.75 20889.98 21587.46 27237.1 27495.74 17440.62 22725.49 16983 24952.39 20481.42 9812.51 10744.51 22851.82 16297.46 19125.34 16357.68 12786.41 13426.35 13990.62 12869.97 14594.28 14015.9 13945.94 13965.07 13373.26 Pro-Arg-Trp 27831.29 8730.21 1437.22 510.67 38258.12 2023.38 7286.77 26850.19 32152.91 15119.69 468.28 9169.74 7348.49 1692.71 23455.68 2773.01 3425.03 20017.82 14508.15 30036.65 22707.79 409.26 4352.83 2262.62 37662.57 16799.22 2142.85 1346.39 23343.08 1160.58 35124.11 13519.34 3217.94 6460.87 1110.92 22167.34 21235.54 3831.92 2005.59 9229.63 23580.52 38270.69 654.74 3173.86 17251.18 1247.99 32115.03 8004.6 9575.21 13467.56 3962.86 7948.54 1523.73 4796.13 23545.64 12323.51 3111.86 1015.76 14339.01 4231.78 998.9 1341.1 15823.87 4599.2 7141.09 29197.06 23079.61 10183.21 17801.84 31390.06 27893.33 12617.18 19428.84 1869.84 2872.13 12770.59 14170.67 12654.48 12709.71 12579.25 12744.62 13309.99 13478.49 7334.04 Cys-Arg-Ala 1308.64 1698.05 1366.35 1611.7 1984.16 3417.96 2356.45 1878.35 1627.32 3054.93 2036.74 2479.87 1113.05 1505.2 664.26 2658.39 1341.11 1467.39 3352.11 1505.6 1693.77 992.96 1539.56 1464.63 1451.41 1586.32 1714.99 1536.06 1023.59 2829.51 1236.47 6139.82 1536.81 3869.74 513.17 2295.35 747.46 2475.42 2253.27 1058.66 1846.47 782.75 2123.75 3550.86 725.68 916.56 711.7 1038.57 4413.23 2320.68 987.76 1624.82 3133.92 1767.6 3367.22 1674.92 511.64 1047.77 1020.1 1973.89 1522.37 1238.77 712.8 2707.75 1100.06 1480.86 1566.98 591.88 1193.89 668.37 1501.7 1562.41 698.27 1822.57 1477.5 3293.08 3630.31 2978.38 2964.88 3076.92 3020.13 2220.05 3296.4 3086.31 Gly-Asn-Gly-Thr-Ile 2634.18 2651.3 12344.45 2098.27 1672.14 896.27 788.42 5907.14 2247.69 2251.13 1006.73 3176.25 4997.02 6570.42 3038.83 6457.88 1359.68 2219.37 1055.43 2967.74 6317.93 4888.46 5349.77 19276.59 718.69 3971.83 826.52 420.48 4311.2 1270.05 1401.62 2504.15 2532.9 5404.69 19346.92 6047.63 7716.58 1814.26 8475.65 2661.07 1450.31 788.3 17104.64 11188.35 3305.61 4876.03 5609 8500.36 10797.68 9216.98 7596.94 23884.35 22785.73 6725.28 14514.19 5812.21 11739.93 17139.4 6487.86 1353.58 27176 14745.95 27363.56 37305.97 6310.75 1454.25 4744.39 2035.72 4305.95 7641 6671.85 6272.61 23347.44 25244.84 25668.22 7506.67 7189.44 7649.59 7690.55 7631.86 7259.57 4382.99 7629.99 7131.84 Arg-Met-Met 51302.44 54605.99 49072.78 30944.01 2488.29 113945.21 36117.04 52291.85 63676.84 3032.5 2448.35 3246.45 3536.09 1684.68 64556.71 3588.86 31128.85 1405.21 54130.18 85486.28 61174.05 1877.28 1203.57 57682.53 79935.91 60086.66 34972.4 38685.76 89497.19 34257.68 105793.16 59796.31 39346.34 41194.43 35464.09 64158.37 75436.43 82699.57 57435.84 33032.41 74097.59 96825.27 67343.82 49521.13 63872.7 35036.07 97367.84 74049.48 24141.16 37786.91 55926.73 33430.32 28625.89 40067.29 62213.03 67867.23 22716.31 20017.84 41803.38 40518.58 18954.39 30452.08 42793.01 42466.01 20281.51 53504.59 56861.08 38454.19 37232.24 66352.72 61834.09 84575.19 35486.5 28676.08 31727.74 655684.04 742275.46 574947.57 725052.38 628655.14 768875.63 841953.27 645208.2 450853.1 490554.19 610451.49 748026.28 656205.99 713939.81 602962.44 497540.68 464711.14 694003.25 572660.31 741192.21 549554.55 557476.42 583567.37 477320.82 408735.27 34364.3 44678.95 52142.34 42537.03 43156.69 42351.82 43616.46 43013.97 43026.67 Glu-Ile-Arg-His-Val 1131.8 5182.92 312.46 1537.31 42157.32 403.66 4397.51 25215.41 1074.92 300.52 1106.72 41472.58 601.84 388.75 1501.16 23826.79 499.79 1713.62 1466.93 1233.28 3876.62 4601.15 826.7 476.35 34557.89 460.67 534.74 220.58 2698.22 900.81 766.81 1930.63 210.19 17937.06 2666.71 3083.03 5378.25 1412.16 3082.22 2367.51 3077.91 1553.3 2745.46 2243.38 3809.06 57375.7 949.92 4050.46 5417.76 3483.61 1823.25 14511.6 23374.97 1406.62 1226.34 758.66 2463.34 1705.73 3697.34 5489.79 862.87 34956.87 1626.48 2213.54 2435.49 7806.03 1493.26 1707.03 472.1 19534.35 458.88 2922.78 4945.23 20503.84 1159.08 5700.64 5903.96 5650.16 7080.14 4614.13 5872.65 6100.85 6129.63 5686.34 1-O-Acetyllycorine 2723.14 2806.6 1669.08 854.39 3944.83 1526.51 2478.4 4653.76 5205.06 5078.35 5129.3 3072.34 3309.92 1207.77 3357 3700.22 871.69 4304.33 1242.44 9145.71 5486.98 1934.76 1952.71 4215.65 4086.06 3771.84 5001.38 2706.88 5582.78 1529.8 5515.63 4324.33 2098.28 1215.02 1126.06 6491.79 816.3 2630.73 2155.21 986.88 5305.84 1855.77 2347.88 1931.38 2512.82 2783.59 7226.97 2843.44 1817.87 5619.2 4364.05 4225.15 2138.96 5911.69 2399.53 2304.43 1689.75 1382.28 1534.82 883.17 1432.84 1641.48 2759.99 2240.5 959.26 8111.7 2203.71 1714.15 2563.63 3700.5 2138.19 2975.69 767.76 436.98 3603.88 3579.58 3432.74 3123.98 3447.02 3415.93 3678.68 3445.02 3577.27 3419.34 Val-Arg-Ile 1476.47 2402.41 668.98 1080.73 4470.05 3117.14 1599.92 3142.04 5331.79 2017.79 429.02 909.79 1716.25 1225.64 7437.76 2419.49 1027.59 2902.15 3123.34 5230.34 630.86 458.8 495.66 738.38 4925.92 6243.88 905.9 1546.96 2575.9 590.51 838.84 2802.64 3302.8 1135.43 1031.04 2879.78 1734.33 1488.9 485.98 1955.55 1420.58 1465.95 2612.51 427.53 1186.59 2050.28 2627.68 2606.47 814.1 1539.12 1442.15 1137.49 1180.55 2565.28 2677.45 990.09 955.89 1266.7 2677.99 2023.87 657.12 1079.06 3147.19 2098.5 3414.08 2256.89 1932.57 1017.87 563.67 2608.92 3585.6 440.32 1483.88 4154.04 736.88 2309.69 2317.9 2190.22 2311.41 2249.45 2575.48 2241.7 2195.36 2310.08 His-Phe-Gln 944.01 1008.33 838.5 7668.39 324.21 709.02 5074.39 2526.94 2331.24 940.21 1952.82 1459.23 1804.01 650.9 831.6 1112.1 994.35 2467.8 711.41 3908.32 14794.82 1082.63 587.87 3594.09 1709.91 2246.47 665.36 1038.96 1784.97 16510.37 1177.06 1743.24 2975.35 1526.09 1120.49 2069.12 1411.97 2444.64 195.11 2800.89 52253.98 10814.88 2095.99 2867.95 5113.96 1290.68 8854.35 3269.84 190.85 4603.98 187.93 1629.87 548.3 2865.57 2831.01 4817.77 1330.44 4285.7 956.7 2128.12 3886.5 1165.34 4216.64 2466.73 1598.82 8491.69 8737.63 4868.65 11852.35 5096.44 1296.98 1621.44 1377.46 3391.84 4587.59 6302.86 8390.14 7322.28 5369.9 5351.28 8634.53 6713.53 5470.01 7045.16 Gly-Gly-Lys-Pro-Asn 63086.1 28452.24 10316.96 857.04 85488.99 42597.3 16162.69 82663.65 90683.14 51828.6 29877.97 56726.87 41989.19 30660.37 64383.79 74712.95 14484.91 7334.88 4974.23 3527.73 87994.47 33318.56 23936.7 30475.95 84335.43 43966.99 30169.42 18944.28 133455.64 44518.26 64132.27 115533.71 30490.03 33542.77 22457.52 57073.7 41037.07 29387.88 14384.23 20705.76 45452.62 90588.56 34827.95 16489.92 84588.55 27838.57 68693.07 49301.05 80022.61 82855.56 81999.96 43875.6 29448.21 27716.85 52311.94 32678.22 7558.46 11430.61 61567.05 11218.8 22708.74 15470.29 49311.73 40276.72 28534.4 75109.84 83102.09 33733.46 28418.3 56931.94 54705.88 39985.08 40396.96 28855.65 24445.07 56895.82 56867.63 55366.83 56757.14 51943.3 55570.33 62282.9 55789.17 55362.14 4-Oxo-2-nonenal 46940.99 55214.96 23309.45 23660.25 24475.85 52389.88 52240.13 46128.69 51517.99 54361.62 36550.62 39846.02 19934.47 51406.16 58716.29 54629.15 48693.66 52896.6 61419.72 54357.69 42459.78 48715.05 45920.26 67554 49143.29 56957.93 56622.26 49955.34 65839.35 65213.33 46957.02 60288.16 45540.87 46069.27 65394.4 60023.68 60738.95 60346.54 50538.02 58587.28 53589.72 67840.32 62954.23 57868.87 55022.81 59822.43 45414.09 59567.48 98332.88 54875.82 52455.46 38809.77 67011.5 67249.59 55683.71 33835.41 19426.66 20416.87 26956.74 52055.4 47335.02 55743.09 40423.38 83678.23 42864.47 30114.64 43325.51 50811.52 49296.28 46998.68 48868.37 31598.14 51639.91 77439.81 50426.18 22195.51 24809.95 24891.97 23363.06 25205.66 23170.81 25420.89 24876.08 24333.41 Prost-13-en-1-oic acid, 9,11-epidioxy-15-hydroxy-, (9alpha,11alpha,13E,15S)- 470.92 60.07 1522.11 15681.09 72779.91 26214.59 18681.3 892.72 159.41 1373.06 2046.1 504.99 4776.57 1732.25 385.92 3821.66 1781.02 218.93 1564.98 572.88 336.41 862.85 1716.7 866.23 516.7 322.33 611.51 153.12 1085.68 307.7 357.79 1489.06 341.03 269.16 123.29 2141.17 329.82 61.86 1679.72 264.73 36993.34 8582.1 251.87 62.96 51.82 112.84 103.49 1530.51 1100.6 1233.93 342.39 101.6 257.55 2196.68 13416.05 155.8 1634.12 63.07 1978.41 8059.64 1591.66 534.55 1282.17 51.6 291.27 4959.9 56.56 49.54 786.02 158.77 122.1 266.04 1177.13 391.26 4228.76 8941.51 9262.23 9185.37 9410 9318.39 9319.74 9211.9 9316.84 9214.02 JWH 081 5-methoxynaphthyl isomer 679.01 1608.24 1909.17 3405.23 9362.11 1127.45 4008.36 11397.88 5487.54 5276.11 1484.09 5827.03 967.22 5772.51 722.38 2717.49 541.75 3111.47 3492.96 2027.8 5011.12 4292.33 858.24 363.94 7125.85 1527.17 1455.87 1289.23 10215.36 1690.5 3082.1 9064.96 2313.33 4307.66 2647.49 4481.17 3438.35 3429.89 4139.68 2370.26 2244.36 9856.41 3809.63 4404.45 7830.52 3462.45 3533.52 3928.36 13692.88 8758.09 6677.27 4523.23 3241.98 4718.58 3157.56 6752.92 2205.09 339.65 6617.12 2319.46 3398.27 2418.87 5617.41 3435.36 1299.67 5927.61 5281.26 2391.46 1619.44 6182.44 934.16 5251.41 2133.01 1940.71 4465.58 5731.1 5619.82 5734.45 5656.27 5406.22 5453.38 3800.38 5730.51 5776.39 Ala-Pro-Lys 1225.73 1462.35 3838.67 7055.23 1176.34 2979.88 616.19 570.55 2166.91 1043.1 1305.12 2301.88 1047.2 1476.23 871.6 2538.02 2456.61 977.51 1504.41 1628.11 685.98 1562.96 733.41 2534.76 3780.87 2112.44 1196.78 1007.55 1303.05 585.86 2134.41 3020.87 1044.56 1379.89 1783.48 1875.62 1965.15 4263.65 1658.14 2248.03 634.39 3240.48 1617.93 2314.11 586.86 842.85 3838.04 1266.64 1214.4 2349.78 1554.37 570.87 1195.16 656.46 2913.07 743.76 1732.69 3873.77 1428.53 5322 2071.81 3369.83 3471.36 4193.46 4278.32 2253.33 3179.55 1711.85 1552.5 582.98 1709.05 1652.15 602.64 8453.61 2398.99 1427.78 1556.96 1474.26 1425.09 1557.94 1482.6 1565.91 1607.07 1421.41 Cer(d18:0/14:0) 1952.18 1780.45 1149.37 2156.38 2870.5 2181.3 2959.25 2167.81 2500.44 3577.24 1580.06 1435.9 1127.74 1708.73 2264.44 1527.43 4311.28 2345.99 1277.81 1655.36 651.38 1668.26 1276.66 1542.47 1446.67 891.96 1635.82 1486.6 1039.59 3096.02 1504.56 2197.28 1824.97 3997.39 2557.32 2171.58 583.94 5013.2 3486.56 693.68 10130.23 38623.73 3333.62 512.66 5036.11 10765.18 1124.81 1271.65 386.33 4702.6 626.68 1963.24 1174.31 2373.09 511.74 3129.65 1608.65 1741.58 7348.49 2039.14 3909.45 3043.74 1643.31 3302.26 1464.9 22229.97 2622.71 2818.6 6142.76 2963.82 8505.81 2739.39 1552.1 3966.32 2458.62 4473.8 4151.59 3920.17 3706.3 4320.11 4052.42 4108.55 3056.22 4272.83 Asp-Ile-Met 34710.26 41460.16 901.25 14198.84 18719.46 5053.68 9918.28 34589.79 53642.35 5714.58 8161.79 38060.43 44333.23 38842.01 32577.03 32565.64 12585.3 26969.07 97011.72 34983.07 35545.6 805.7 9279.76 4620.75 58737.3 32995.71 5952.8 7657.63 60537.59 53727.35 64811.19 98141.49 12821.12 11102.65 40592.96 31033.32 22148.6 3608.83 9001.28 62917.23 74724.6 52032.67 10511.85 23663.97 26029.04 32389.59 19938.29 29089.61 21123.97 66835.87 63707.93 64003.22 14462.92 42391.94 40173.07 4316.55 595.77 10431.52 23077.43 1437.09 32813.55 12357.8 20626.52 1024.7 10566.56 35080.4 45582.85 28065.54 9939.53 34353.62 28151.11 16560.67 13521.26 9231.51 29572.41 26682.72 26083.57 26258.65 18403.69 26578.07 27278.55 25714.85 26688.43 25476.44 Diuron 5898.98 7373.48 4804.34 4712.77 4136.45 4199.36 5884.42 7826.26 5716.71 7127.17 5951.27 5684.33 5372.08 6584.88 7372.46 6485.3 5717.66 6343.65 7267.52 3520.99 2975.5 643.18 4909.39 5903.89 6237.75 5603.54 7077.61 6386.63 6949.92 781.77 3550.38 6054.97 6911.31 5599.9 5456.87 6888.14 6477.25 6760.49 6387.07 7990.94 3880.25 5997.5 6032.73 5775.46 5200.67 5024.31 5945.93 6364.59 5322.04 5131.45 5799.05 5968.16 5288.74 5519.27 5971.75 6240.08 5451.16 5627.97 5730.52 4862.74 5097.2 6277.44 6165.54 4806.04 6303.57 6757.08 4728.97 6849.24 7206.09 7072.75 6665.37 7616.52 6306.88 6722.65 5876.02 6260.67 6213.07 6248.33 6280.26 6196.36 6448.48 6282.98 6067.2 6282.74 Ser-Thr-Asn 317.06 817.88 710.21 2213.56 1641.03 25820.37 5204.11 434.85 235.29 385.21 740.82 1179.36 30749.59 286.03 379.45 6165.58 248.64 695.72 279.68 310.03 732.35 198.49 503.87 1926.89 269.51 2864.05 388.45 1145.04 1429.08 579.95 731.34 860.35 983.43 4356.54 1208.16 249.23 188.02 3399.71 796.13 444.25 2581.82 924.36 226.54 222.73 259.42 10124.34 190.94 236.69 1288.44 1865.61 964.28 816.05 587.24 1004.1 612.79 695.92 515.23 166.67 357.63 371.21 973.48 504.38 372.43 190.36 200.74 19816.58 335.58 747.84 599.68 344.14 1036.91 773.64 294.64 268.28 1816.39 1830.96 1877.47 2173.37 1917.84 2054.29 2048.25 1994.52 2076.23 2091.44 Pro-Gln-Thr 2713.71 530.32 1360.34 811.24 1947.45 1280.81 2120.02 1750.35 4416.16 3288.06 1132.36 720.74 387.61 1286.33 1328.99 2251.97 3531.59 1646.57 1898.88 679.53 1417.36 622.9 1613.73 2165 2043.55 3200.18 1032.85 707.85 2229.26 2260.47 1769.42 944.42 1297.2 1469.57 686.62 1200.28 1531.24 934.65 679.59 905.76 5214.29 4882.38 392.61 1427.44 3844.7 2665.54 4719.11 3047.08 2090.54 1747.83 4726.61 3706.08 2077.87 942.59 1802.96 390.01 460.2 307.4 1753.41 3934.35 1603.48 433.4 1291.76 573.75 1118.07 3590.1 3499.07 731.43 501.14 2186.54 2130.54 3151.39 355.71 1068.83 4529.74 3062.45 2938.23 1731.86 3153.03 3055.92 3500.7 2726.46 2185.22 3129.84 Arg-Leu-Ala 2752.21 16897.89 862.28 10879.46 9865.85 9411.34 17356.64 17567.27 8355.5 6377.61 8638.43 3146.57 19784.62 16720.26 2630.69 1531.63 2798.95 8041.66 4201.13 2582.93 9411.21 654.58 1319.62 8468.26 3842.89 5752.42 12951.29 7648.28 4607.01 1283.06 3858.23 1495.3 2864.47 14296.3 3897.44 26239.67 9099.22 10233.1 8705.1 6542.21 9817.57 11479.18 11797.9 7630.71 14657.94 10374.53 5978.7 9028.62 9029.19 6625.68 25052.13 12141.75 23498.05 14421.22 28898.13 5845.82 8018.84 1995.38 10046.22 5280.99 12470.72 16846.68 17166.3 6920.56 6366.35 8024.88 8822.79 6553.18 5336.51 13678.35 7357.75 5946.73 6993.16 10310.66 12047.55 3587.33 6023.38 3574.92 4762.15 4186.02 5053.82 3566.08 4951.88 3748.66 3383.66 2631.37 4761.51 4056.81 3899.1 3986.63 2954.99 4599.55 4231.13 4213.52 4080.97 4391.84 4099.24 3922.43 4043.97 5178.95 9012.13 9691.79 6507.09 9941.98 11106.63 9284.38 9090.55 10736.67 9839.18 Arg-Ile-Leu 1097.2 535.84 919.09 3253.86 4632.06 2435.98 1635.3 3128.73 8043.13 2432.91 1402.35 3601.72 427.65 891.72 4110.78 3853.32 712.61 3867.35 4432.86 9722.38 1548.34 1633.05 637.98 2819.72 5717.75 11520.34 3958.15 1907.11 2695.28 1258.06 1018.08 4408.84 2210.11 3786.77 1475.79 2600.03 4007.91 1694.66 1290.35 3682.03 1106.07 4018.55 4598.81 1123.22 1164.94 4324.84 2012.71 1245.87 1529.33 2098.37 5691.03 1244.29 2329.75 7094.14 3162.85 619.14 1160.07 1145.31 1550.29 4144.03 801.74 1457.87 2686.8 8317.06 3245.59 4379.57 575.13 957.96 783.41 5515.69 2321.91 1808.18 2816.98 3522.66 2602.67 2601.14 2731.24 2658.2 2772.05 2511.6 2757.35 2600.46 3129.31 2595.41 PE-NMe(18:1(9Z)/18:1(9Z)) 710.91 710.08 478.88 503.03 2467.22 2185.26 455.94 884.49 514.07 730.67 308.83 630.93 390.01 433.73 447.73 395.65 317.61 1784.59 893 1990.73 430.24 447.43 685.18 616.67 1495.23 624.68 671.85 615.52 521.83 652.69 431.12 464.83 373.21 1186.39 522.73 471.3 904.84 834.58 698.97 563.72 1183.96 889.56 756.35 459.43 1129.25 1054.14 889.21 929.93 2836.35 656.73 1033.43 809.78 700.49 423.86 482.19 796.84 623.68 554.62 544.02 359.26 350.25 375.28 775.3 721.7 449.04 1064.69 1529.17 512.38 491.85 514.43 640.61 734.64 1171.76 1682.9 335.47 6594.06 104050.51 22157.18 34143.49 163066.39 131785.14 97728.76 108753.29 55924.32 99356.59 44214.75 40013.98 128206.67 129332.89 141596.89 24344.11 136304.02 94394.29 88419.91 83461.48 66601.76 61991.56 103830.7 39946.5 80771.44 1096.49 1077.03 1078.46 1033.07 1031.85 1077.97 903.3 995.76 1102.95 Tyr-Thr-Asn 17928.9 18533.2 15707.95 18647.07 16300.68 15842.99 26629.56 32857.27 21636.9 18942.32 28334.2 14320.36 17635.4 23322.22 19536.97 16572.26 18767.11 18783.97 19439.19 20562.71 27339.26 15366.5 18546.03 18308.99 18915.43 18737.64 19377.44 19453.3 16437.37 21985.61 19943.67 22164.37 16315.01 18265.49 18560.74 18861.33 19643.46 25995.09 20440.17 18785.05 20035.49 23805.6 19652.75 19741.79 18183.19 20498.69 20233.65 18612.98 7656.36 18223.81 20970.71 19242.89 18530.25 22562.6 23543.27 19179.8 19924.71 18219.97 20346.24 19030.89 19246.36 19604.35 23483.6 19088.6 24360.73 21306.87 19629.74 19211.75 20723.13 19919.86 18714.09 21026.36 19119.1 9092.69 19347.19 19223.21 19644.97 18773.04 19659.1 21261.11 19551.73 19657.64 19646.36 18969.25 JWH 018 7-hydroxyindole metabolite 4551.89 1457.58 838.74 1281.5 8048.76 8021.66 1638.48 6829.93 6373.56 3015.09 900.85 3786.23 528.31 410.78 3005.76 1379.17 318.25 6370.59 12259.66 16685.58 3683.25 6568.41 1010.13 754.89 3626.9 2630.49 1732.59 1242.74 2656.98 2247.92 13679.03 3461.86 2111.86 2126.27 2538.52 2153.97 2658.58 4772.42 1798.08 1312.51 14281.65 6650.86 828.33 1793.02 13546.17 12504.04 3284.46 2397.02 977.64 5631.07 5295.5 7016.79 1311.84 3210.27 8852.57 5331.3 1126.08 2061.96 3227.93 5114.6 1946.61 1429.66 3294.13 1870.97 1370 6848.57 6023.52 1892.59 1119.48 3789.64 8032.23 3569.49 1698.59 1560.85 1723.56 5848.64 5833.46 4538.14 5719.61 5847.09 5478.33 5403.3 5534.97 6025.32 Progesterone 3-biotin 1351.65 1121.58 1466.54 4633.19 971.31 306.23 1514.56 658.51 2087.22 1202.55 3520.19 3000.41 985.49 2196.72 1271.47 1398.93 616.19 524.94 5842.64 4167.29 291.97 840.39 2156.41 360.41 774.56 996.59 954.33 1089.35 4892.46 1077.96 3639.61 3904.52 481.04 1125.97 1115.37 1997.86 2231.22 1386.33 967.38 2186.25 1196.05 1280.57 1470.1 1595.97 929.17 1285.44 1704.9 3313.15 272123.81 14294.57 10578.93 9034.27 5470.71 7488.12 6592.63 8792.14 6004.91 5304.51 6285.33 5504.39 3341.54 2804.28 2744.27 2264.09 2802.61 3652.66 6830.61 4616.86 4194.85 1916.66 7371.24 4233.15 28101.31 91810.79 21169.3 7383.77 10997.02 5333.75 6340.49 6786.29 7345.34 6995.55 2776.13 7439.61 5011.6 5795.2 5368.49 6165.23 5115.58 6252.15 5967.74 6662.83 6489.4 7512.08 6173.5 6116.39 5328.23 6604.02 6487.23 6454.16 4591.86 3992.35 4098.85 3923.4 4115.34 4226.59 3176.16 3984.77 3953.23 Thr-Leu-Thr 5489.3 2903.7 1623.63 2313.95 11193.17 2971.44 3119.32 10094.4 14147.92 4015.35 1673.65 588.45 1105.18 861.66 9281.82 3220.37 1582.57 6553.77 5068.62 10712.07 675.15 4554.34 2023.24 1760.9 10651.7 6213.21 2195.57 809.25 7315.65 2945.92 3117.58 4264.43 7624.77 770.89 1692.74 8982.75 3327.42 3268.24 1197.33 4446.81 4741.53 849.46 3689.27 1904.76 3538.2 1717.64 8114.08 464.57 2742.3 1679.31 2173.84 713.04 3917.12 6165.57 4598.56 1976.27 2138.53 1684.92 5738.9 913.7 1176.73 1451.37 5466.31 5923.08 2153.94 4271.98 961.83 1226.91 2784.76 5193.79 7693.95 3534.98 2234.42 7570.54 788.29 4710.04 4481.62 4273.6 4251.78 4507.24 4265.21 2554.49 4507.74 4384.26 His-Gln-Lys 6430.3 1321.63 804.41 701.01 1496.93 1235.91 2591.6 7068.61 7094.44 3484.87 573.4 25444.97 492.1 4593.19 2144.18 7831.52 1173.71 7046.19 617.85 1388.36 5224.44 875.82 434.39 9023.33 9288 827.02 7935.4 13390.44 2287.8 17352.81 1448.66 12027.5 1087.3 855.46 1277.19 10268.71 7031.19 1619.88 8047.25 1482.13 15258.58 12622.66 768.9 960.57 3466.28 4352.75 2309.64 1600.98 11330.36 4267.74 10501.31 1082.86 6232.66 8331.48 4605.01 1137.29 280.24 416.23 3314.48 309.37 2030.79 2500.92 3899.4 463.77 2370.46 6528.55 3619.31 7796.05 5275.93 1977.19 859.38 1398.72 1499.68 1062.04 1615.94 6203.22 6212.28 6366.62 6190.49 6368.09 6380.06 6234.73 6470.58 5998.75 4-Acetamidobenzoic acid 3162.82 10134.96 12547.44 2839.39 5611.61 8646 5605.47 5359.35 6771.96 6577.52 7496.71 5159.69 3723.92 948.9 4788.74 10091.02 914.02 1651.03 9442.12 4646.24 941.75 1864.03 1704.83 1486.74 4455.31 11886.28 1514.37 2282.87 13291.06 5028.81 3339.02 2060.23 7383.83 6103.41 3713.9 2799.42 1836.8 13219.57 2795.06 3743.22 6082.94 10274.4 7517.38 7318.9 3946.01 5344.59 5827.85 10343.29 6227.5 9926.77 6332.47 7001.23 4602.98 4980.14 6750.03 12544.19 8259.55 10303.68 5733.53 11848.15 3210.47 7138.61 8981.94 10861.81 8868.2 4765.16 6443.35 7447.99 3595.81 8620.39 9653.9 6136.79 6652.08 11321.7 9805.85 6496.27 5514.27 6352.57 6495.84 6498.21 6279.19 6497.85 6495.07 6404.09 JWH 122 8-methylnaphthyl isomer 362.82 519.76 1103.74 3061.96 18919.95 24180.19 18861.77 234.45 215.06 359.13 312.63 277.84 1897.6 249.2 287.57 389.47 215.56 211.66 513.99 300.67 421.4 96.08 756.58 507.19 721.46 250.15 820.85 244.08 287.74 440 311.37 198.62 339.51 117.63 414.53 418.67 456.98 633.69 631.38 217.58 6403.47 1257.64 747.78 221.56 275.1 2085.84 164.1 435.04 209.01 194.49 170.31 228.65 486.47 286.62 365.11 233.57 141.53 480.12 525.31 1130.25 187.11 452.42 209.72 672.67 172.24 360.13 142.28 146.04 258.32 217.69 127.25 414.1 456.88 95.63 752.9 2009.86 2217.3 2800.83 2004.85 1887.34 2207.47 2144.29 2206.57 1146 Pro-Asp-Tyr 3529.31 13535.54 1241.82 1044.58 2471.55 3948.66 445.28 2496.46 1517.75 1382.04 2110.49 501.85 1912.23 16565.04 11400.6 1756.34 5661.62 24804.34 9432.22 5982.33 2167.45 3408.92 385.56 1709.85 1794.56 3452.72 467.81 248.39 8771.2 1502.77 33995.83 36404.97 1625.77 672.76 1211.79 7428.93 723.86 982.65 1103 502.53 16082.67 8455.43 2406.28 3071.41 23994.77 6205.56 5492.65 6085.92 4945.09 22852.68 7997.75 12870.62 2095.48 4872.94 6791.29 14200.02 1953.47 545.43 385.94 1223.46 605.42 1017.8 9200.75 4065.54 4499.88 12766.3 21231.06 1850.54 4381.89 945.31 1200.92 352.51 4171.55 9761.78 1708.84 8606.58 8839.36 8612.28 8417.77 8632.73 8408.87 8426.03 8891.63 8407.55 4beta-Hydroxycholesterol 176205.94 89217.82 1569.89 74038.22 77625.36 46536.02 81669.33 103564.22 66548.65 5356.56 117108.62 120711.98 98223.22 112916.19 82805.72 122787.1 83383.75 65753.71 140454.48 65853.78 93339.94 52050.96 88568.73 130956.31 70750.16 51765.97 120572.47 153270.67 72408.68 158184.91 84064.67 140850.25 34246.53 67540.32 73679.38 51811.65 87667.67 57208.53 103278.29 120110.47 74757.08 105755.84 147888.96 104674.54 71327.38 151253.32 80886.73 178911.59 92188.64 212226.65 91690.77 97900.03 158006.54 182327.88 90313.61 56464.36 37661.85 39922.19 83566.4 45148.61 90718.2 152533.81 60794.52 115351.38 109427.44 112286.05 112171.95 79664.91 98293.43 79136.13 68676.44 56110.38 196509.61 105130.83 130159.13 2111.96 1490.11 2279.34 1030.83 1328.0 656.33 1471.83 551.16 528.02 774.76 790.47 774.77 1032.74 1569.56 1191.58 839.34 2158.02 1660.73 698.27 1414.84 1130.46 1521.56 1387.74 822.25 1122.17 96778.48 96622.94 95878.47 97120.52 97394.93 97116.51 97069.22 97191.71 96685.09 Pro-Arg-Gln 11721.55 9716.49 5203.66 26276.36 125725.33 112812.98 5201.01 19657.73 12979.98 11336.43 6841.33 13845.42 29204.66 11675.92 18183.63 27468.97 10721.3 18393 30908.74 3901.36 13127.13 13621.8 12126.61 15856.44 16750.71 12357.67 13796.35 2946.83 17244.41 17038.51 18551.07 11672.51 12536.82 5528.46 13175.83 16765.03 19063.55 5299.39 8766.77 3001.36 6252.33 27534.05 13480.54 7707.06 24414.35 4812.66 17361.34 16082.99 18442.92 26472.55 19340.81 11571.67 12057.42 17410.68 7819.47 12999.38 10094.35 2851.42 20929.12 12199.88 11981.13 5287.64 17674.26 13464.43 8702.54 12325.86 15117.64 5710.83 7092.15 17760.1 11623.71 17897.62 21490.81 2489.4 19182.12 9442.89 5463 9383.61 9287.34 10097.45 8655.88 8714.66 8704.78 9220.24 Lys-Pro-Cys 90.05 89.52 1907.29 14652.06 45781.21 33185.65 27543.4 178.15 59.08 551.78 64.88 252.5 10329.71 83.75 141.51 3288.75 200.86 911.74 80.28 539.3 76.77 3162.1 57.62 67.48 1179.3 65.96 1705.91 576.37 82.11 682.31 78.1 1528.47 69.45 1215.81 218.59 1445.69 719.31 687.5 142.21 369.77 11685.23 4329.66 157.21 83.13 64.96 28861.92 67.92 117.41 510.74 1106.15 2339.38 135.7 162.72 3282.89 7177.67 158.97 219.54 94.04 273.08 1360.55 772.47 1004.04 604.2 283.14 64.2 1338.78 933.79 793.26 58.29 138.51 618.87 216.66 433.1 288.9 3008.74 5189.79 5189.99 5167.74 5274.65 5189.81 5167.48 5144.93 5171.89 5167.49 Pro-Gln-Lys 1173.11 2153.88 889.9 5780.07 26777.43 66839.51 28376.57 1881.24 801.86 841.49 869.04 702.33 2476.85 212.13 418.09 2704.83 758.87 469.23 187.67 297.21 1367.32 297.04 779.91 270.3 203.46 210.78 692.27 124.23 515.52 807.18 130.35 23028.15 993.77 922.73 1897.91 929.75 1087.38 1337.55 885.15 976.75 4336.12 910.85 867.02 1636.36 1166.26 2049.95 1300.34 926.91 904.57 1100.11 404.67 901.48 695.1 505.46 748.67 885.41 1017.82 881.5 1172.4 1533.88 1249.27 897.15 675.91 1046.42 904.94 600.27 1208.3 1203.72 917.24 1279.55 927.9 1200.03 861.29 992.88 1969.65 3977.86 4007.74 3976.59 3945.06 3973.78 4028.17 4028.57 4013.74 4030.91 12-Hydroxy-4,4-bisnor-4,8,11,13-podocarpatetraen-3-one 8328.54 9944.46 6602.19 7315.27 11280.68 16202.14 1023.48 8489.46 11623.39 7778.35 8180.15 6194.85 4552.6 7301.16 10562.96 8657.79 6247.2 6239.54 7473.51 3455.22 9472 10027.54 6211.56 5219.44 11281.68 10923.59 7214.22 7899.16 10025.78 1415.35 5910.52 7277.49 7293.17 10787.95 8340.93 10175.93 9919.72 12580.52 7156.22 5575.55 6149.36 13691.61 8908.64 6514.53 9114.86 5326.48 5072.89 6128.3 6279.85 9955.54 10052.51 10648.33 6899.44 10106.24 7789.31 11278.58 5435.09 5384.01 7999.84 8054.03 5222.53 4916.11 9977.11 8662.13 4364.32 11416.83 7493.45 6648.51 6037.99 9400.06 7642.24 8455.51 8806.23 7381.79 7350.65 8124.84 8474.11 7916.03 8129.76 8241.07 8237.96 8260.96 8119.47 8260.33 Arg-Leu-Glu 1992.74 791.38 495.77 4055.72 2350.52 2112.54 5773.81 9140.95 5037.14 2771.71 4709.57 732.75 9130.14 350.6 12989.06 8826.37 928.37 1859.39 1944.68 3461.74 3001.16 1501.01 912.57 739.25 345.87 4242.52 2657.42 5574.58 2033.06 688.57 3092.4 1605.15 788.63 13789.78 1573.22 1762.18 2334.56 3549.18 2325.58 3888.94 2827.65 4651.16 2942.08 869.62 4243.23 6725.79 4220.24 1277.78 1280.44 1935.75 4987.21 2783.3 2041.42 6719.72 2474.45 1073.83 1173.2 1928.69 1357.88 738.92 722.9 1780.75 4262.08 5918.03 2859.16 9431.55 2275.2 3522.83 1212.89 6979.94 3121.8 2859.08 4129.77 5049.23 6454.71 4810.65 5103.89 5072.74 5081.26 4817.25 4532.91 3746.17 5038.37 4818.48 1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 8382.07 3859.92 1639.88 2348.45 1015.96 4122.16 5353.02 19799.79 7624.71 3378.37 614.8 3368.41 4557.88 4386.35 11890.96 4227.06 2572.26 9907.46 7229.87 24021.61 10728.33 4652.05 2030.82 1313.52 23311.28 6152.02 3210.4 1334.09 20447.28 1990.78 12059.98 9106.85 9363.08 1232.78 3476.75 13351.51 17541.45 4049.6 730.44 4284.73 8175.22 15836.85 8292.22 3147.45 12086.12 983.08 21523.54 8750.66 1045.24 8834.15 1319.34 9789.33 4775.26 1071.37 2610.91 6803.75 1399.01 2604.98 6041.79 641.57 1595.36 1242.58 6600.01 3104.46 3112.04 6420.27 14638.41 5395.38 4924.61 10843.9 8093 4914.55 3774.54 3903.03 754.05 24195.16 21171.38 25300.98 22004.11 20219.39 15141.77 23531.39 22231.6 24202.95 25506.41 15177.7 21120.56 21822.82 21309.75 23550.98 17154.12 25672.61 25277.52 21753.34 25362.53 34704.17 25251.82 23688.27 26337.56 21506.57 6161.18 5844.54 6156.05 5855.22 6137.66 6260.88 3761.01 6028.32 5875.83 Ala-Arg-Ala 15185.51 23897.15 7861.27 22645.74 19569.1 13643.41 19977.85 27567.96 17447.71 20913.46 30568.35 21064.87 28656.34 26334.68 24424.6 24120.06 29604.7 31978.97 28782.58 28422.71 26977.45 26579.33 24172.47 19375.92 16186.69 21352.52 20400.42 22219.62 20756.45 21738.92 22398.34 31016.52 24436.67 25538.61 23020.95 15213.8 20472.8 25950.07 26365.3 22899 20343.3 22431.4 27628.44 20660.9 21072.68 27449.86 22309.16 23264.24 16570.18 30479.38 14328.33 18759.59 20169.66 25188.64 21936.03 21464.68 16999.84 24995.4 20765.82 22182.62 24065.88 23677.82 19433.11 24260.04 28380.99 24309 28417.11 27514.02 27967.03 21517.57 22012.51 22172.83 20911.12 25959.88 18124.53 17723.35 21936.9 14888.21 19649.98 11034.35 19624.32 17132.92 16713.03 12075.92 19534.05 15451.26 11544.67 18503.75 17279.57 16228.1 15755.35 19967.65 19222.61 19596.58 15511.57 18264.47 18863.55 18380.24 22495.79 18159.45 19869.99 21039.8 21683.93 20950.32 21389.4 21384.33 20977.53 20969.37 21597.33 Hydroxy Terbinafine 5400.44 5043.25 5906.16 520.54 1462.01 1014.6 4776.21 21493.94 5851.08 12433.21 3215.88 3816.93 942.77 16005.89 31391.46 5752.63 493.59 64947.25 51858.1 12903.81 10828.1 13722.98 11343.39 7185.57 13929.57 7260.28 509.89 2159.72 18716.11 5459.84 8580.98 36894.35 24940.34 5974.88 1216.42 35719.15 27299.83 6563.24 4905.33 2683.13 479.89 15311.04 15971.81 6434.12 19375.87 4805.71 18196.01 18797.86 16137.17 16380.7 11863.26 24659.57 6739.69 555.46 10766.89 25403.79 6882.57 6404.12 33380.02 4102.77 3783.58 1265.37 14278.68 13877.88 16541.66 6556.57 8597.4 2510.15 2727.46 28995.83 5666.04 11578.87 16689.84 3949.37 758.3 12240.84 12488.26 12369.7 12952.12 12763.75 12232.2 12229.93 12015.5 12222.84 Gln-Asp-Cys-Tyr-Ser 2519.63 3782.61 630.78 851.94 4703.85 1278.51 822.04 10205.58 7261.67 800 526.33 3430.47 1225.72 339.75 1398.2 4286.26 826.22 6805.81 5577.14 11329.36 5586.58 552.76 1613.4 1650.16 6439.03 4982.3 3211.59 7677 14184.2 3260.77 6811.27 3239.34 988.56 531.92 1592.7 6164.32 5023.74 4027.35 1384.84 2332.81 5474.94 4552.57 2195.52 954.85 8433.69 2781.92 8349.09 2749.87 2239.89 8773.51 3554.8 710.19 1180.63 1276.53 4084.74 1813.47 488.7 997.36 5166.02 1159.57 3265.67 449.17 2835.45 2106.16 2099.28 4164.9 2804.53 4892.4 4879.07 4108.15 13253.31 3944.26 5074.68 2197.76 3324.23 4808.18 5225.73 5090.49 5304.95 5232.44 5235.91 4886.2 5250.42 4245.73 Val-Lys-Lys 3783.76 1700.55 590.42 1260.38 1040.42 514.73 6968.26 27502.58 1532.63 3530.02 4178.78 4303.77 1427.49 960.67 958.58 2136.84 1931.1 1875.96 5402.5 794.47 23514.88 1933.78 11925.25 9836.33 2153.16 1019.64 2881 1768.16 5969 14612.48 3244.2 23971.16 10898.7 11055.47 11574.76 15483.3 10982.7 3510.33 6830.05 3763.01 7817.01 8846.28 10978.02 2664.58 8676.7 6768.51 9657.13 12788.26 16316.24 5124.4 11255.13 11338.36 25501.78 13758.9 10910.58 3307.56 8967.32 3689.18 17600.52 1429.57 8762.89 19695.49 10226.92 16904.54 9879.9 7471.51 1830.11 8063.19 3499.66 18972.18 3738.43 7914.64 13452.63 6427.77 13008.14 9501.11 9499.29 9130.42 9065.48 9497.89 9081.63 9556.26 7223.18 9096.79 Asn-Asn-Ile 603.16 3748.06 515.32 1237.88 6487.69 910.48 7506.49 3348.91 13840.64 1075.21 2290.42 2148.63 492.73 916.98 3122.62 1310.79 637.67 5748.69 6419.03 2946.89 2982.49 1424.56 470.1 889.41 5309.69 2105.13 3387.2 355.79 1644.3 694.41 767.48 133474.11 2446.93 2458.68 1762.41 2775.77 2870.24 565.56 656.94 6325.01 5582.76 4826.22 1765.91 2283.86 3117.03 1805.58 4559.31 5131.7 303.96 6328.39 606.9 1483.63 1131.89 19168.54 4232.24 11592.44 2284.58 5837.48 2345.01 14935.16 4865.46 6094.87 1151.94 2373.23 1951.45 3656 575.58 1580.46 3088.52 2561.63 4884.36 3964.24 3645.34 7717.95 2697.56 5226.98 4523.17 5221.14 5241.91 5208.68 5419.78 5449.77 5439.83 5820.67 His-Asn-Leu-Glu 52544.85 55136.76 92422.4 182768.32 76049.24 44450.14 62494.77 43664.48 1443.27 51044.98 63266.18 72209.67 103943.15 103853.54 46246.11 93831.8 28116.85 51512.98 69672.82 1687.49 44853.94 20475.11 60036.17 80080.75 55723.61 48084.92 69774.27 53982.11 61665.46 9309.28 20791.98 26696.45 7592.17 139484.67 98923.85 45643.33 46873.76 62301.56 69211.94 114453.96 2642.33 39133.46 130100.28 91239.8 35177.98 112826.73 4819.22 75542.24 57846.62 84641.24 35139.48 23390.56 161573.88 186877.78 68381.67 35712.59 64450.33 84703.19 21345.76 3339.3 73472.79 75336.51 46043.25 123219.29 40086.87 78095.56 33096.04 61596.07 62581.4 39672.22 4503.7 85061.9 87971.09 138240.31 135243.74 67330.71 66620.85 66623.65 66585.07 66194.48 66617.62 64637.45 66621.2 66028.32 Asp-Ala-Lys 2134.44 451.54 895.95 7303.71 3597.16 5831.15 9639.62 1866.59 5956.42 4069.73 4197.55 9489.92 9012.89 7273.1 3435.13 9668.98 6457.74 2280.36 8720.87 3915.26 4068.07 1805.85 7004.84 8681.96 1906.88 5234.61 6756.29 5040.61 2972.67 986.64 1326.48 13131.07 3687.95 7772.92 3324.98 2629.85 1668.63 3554.88 6851.76 6345.3 3472 4564.56 8957.79 6529.97 3304.68 7111.74 4033.14 6845.14 6310.65 12884.31 2947.61 1709.13 7776.47 9073.03 1899.85 2731.24 4439.2 4961.13 3483.56 2690.35 5661.1 7805.15 3011.58 4795.55 4840.7 4338.73 6670.14 7552.21 7104.85 5273.94 2538.66 6010.3 7041.11 7908.18 6342.49 6380.42 6218.72 6143.62 6243.68 6392.15 6150.83 6821.86 6140.87 4606.44 14,14,15,15-tetradeuterio-N-(2-hydroxyethyl)hexadecanamide 30900.36 168455.62 124452.93 56457.19 116244.71 174694.85 49386.51 56690.06 58944.47 38779.9 24363.53 38006.78 46980.73 27768.46 119486.77 47676.91 66192.46 88587.84 82754.85 100634.29 41159.19 103256.28 25214.32 66088.21 37464.73 38925.85 40154.75 50283.28 141570.81 70495.26 38739.03 101618.01 97994.64 59271.36 63374.1 52745.62 37405.11 41059.39 34260.25 111170.06 61208.86 58209.76 52855.71 33394.73 33573.57 20836.19 51377.76 172431.16 19816.73 48135.98 24659.28 34240.57 34438.62 41588.52 63682.68 90544.79 76704.52 73734.61 58263.99 129171.32 46312.65 65737.16 39291.52 64073.67 92153.27 53769.87 78511.91 47970.03 70079.68 63866.98 84953.64 43124.98 34503.15 99147.5 65375.61 3757.98 2792.41 3350.42 2920.55 3403.81 3151.58 3278.35 3089.63 3110.77 3122.48 3003.24 3103.84 3366.09 3442.26 3273.85 2807.45 3398.69 3621.76 3570.19 3142.08 2595.58 3229.88 3354.86 2596.01 3177.2 56035.36 56167.75 56254.52 55661.39 56339.9 56546.24 56082.1 56335.15 56027.72 Val-Arg-Leu 10780.62 6472.51 829.88 2600.49 4093.37 2229.82 2967.48 2822.07 3454.81 2075.22 2104.13 983.63 2044.18 1127.04 1028.81 885.17 2587.42 9816.35 10064.17 1692.96 8741.51 30389.96 1638.53 2791.95 8426.48 14422.68 988 2969.29 965.89 1146.25 1203.49 4033.49 4623.93 2870.36 800.96 1941.89 11216.83 29893.79 6349.63 3277.27 3040.73 606.05 529.71 2117.16 13386.22 6188.16 648.3 2723.27 3143.1 4121 3020.7 2684.63 2689.93 2333.97 1549.68 848.31 2449.95 546 2481.88 1094.7 743.32 1010.34 2570.76 1893.36 2603.23 1596.95 3409.27 697.53 2420.53 11370.24 2136.21 3304.35 2801.29 1240.58 638.51 2384.71 3026.41 2040.17 2419.24 2580.28 2577.19 2716.15 2532.97 2701.73 Gly-Phe-Val 975.24 1780.89 917.23 528.01 2792.84 2188.14 2895.82 2584.85 873.83 1257.11 1908.5 4236.89 15533 1016.37 2702.06 1518.69 495.25 3217.02 1870.33 4510.35 2966.27 2088.6 1239.96 2336.22 2065.34 4826.47 4473.4 2806.04 3886.31 2315 2818.73 3347.89 2222.7 1501.97 2218.9 4116.76 2419.16 1331.93 980.68 1025.94 2924.27 1682.99 4695.22 3068.67 1273.7 1449.39 1349.2 4752.51 8084.7 1693.79 3819.51 809.62 5854.75 6817.27 2207.83 3273.01 791.44 2343.68 1001.7 2415.2 572.42 3471.56 918.25 1864.4 654.65 4877.2 876.75 1840.21 2126.24 4285.56 2850.12 885.57 926.62 745.69 2752.02 4547.3 3858.52 3606.37 3884.44 3838.97 3583.69 3793.51 2458.71 3777.08 Gly-Leu-Ser-Pro-Lys 32457.7 9320.46 15401.26 7930.54 25569.89 43595.86 13664.21 26631.15 23257.37 24443.58 2314.58 15062.93 31255.33 20573.52 23516.32 13505.99 11695.07 15586.58 3459.15 5862.91 26184.07 22238.01 17696.88 13901.9 21733.6 27409.6 1936.49 5119.53 36367.19 10527.77 12603.9 31536.62 1272.72 20823.99 15681.04 27687.99 27742.29 31276.84 13312.97 9086.42 21089.7 38850.6 9748.3 6417.37 34631.95 13068.64 21119.63 12037.18 18065.41 28071.21 42480.36 26212.14 33333.33 28355.77 31909.98 15639.04 16931.12 9085 24927.05 7726.76 10474.84 16812.07 26268.88 11393.04 2264.4 33114.25 6970.21 15645.19 5051.08 28539.88 1796.31 8998.37 11641.34 13079.04 19353.9 17216.81 19042.92 18160.66 18382.23 17451.95 17280.07 13227.34 17331.12 19506.04 JWH 200 4-hydroxyindole metabolite 1192.85 2992.77 656.26 2263.58 3650.57 2476.06 1574.24 2006.77 1330.09 1067.35 1958.61 3162.31 789.78 1782.35 1217.05 1471.24 970.72 752.96 2293.17 1095.73 1696.66 5966.11 2988.85 1657.41 3336.19 2407.78 2586.37 964.08 1696.89 702.45 900.7 1841.59 558.39 914.21 781.8 1632.28 1774.95 879.94 4479.93 395.23 560.54 2996.91 800.15 2610.36 1483.4 2431.12 1392.34 1642.12 1652.37 1947.63 1444.52 5127.16 2472.78 1939.7 1869.49 1037.94 428.28 1253.63 864.59 576.76 2605.09 1585.85 1427.72 853.73 463.87 1987.7 887.28 848.98 1338.16 1162.62 1279.94 1474.72 1985.05 1077.69 1640.63 1906.36 2063.67 2088.47 2141.15 1859.8 2294.73 1355.78 1672.53 2023.69 Tyr-Asn-Gln 1562.52 1027.8 379.06 739.57 946.64 1622.76 926.23 1722.75 707.31 571.26 268.8 314.92 375.82 699.1 3908.44 4078.06 443.45 348.94 1214.99 3496.52 773.97 720.84 622.79 623.91 557.66 432.13 951.59 628.63 3644.94 2174.99 981.84 1016.64 1690.33 396.68 1008.2 432.97 1613.49 741.06 895.54 329.32 397.41 1838.58 333.07 843.65 687.81 1431.32 867.86 1002.63 643.68 1962.95 760.15 716.02 391.83 1097.47 1129.42 587.54 474.48 240.79 608.36 304.16 373.32 440.44 677.48 554.19 770.97 1136.55 720.45 343.27 476.42 1105.3 999.86 676.88 326.7 1736.96 464.22 1216.56 1914.39 1664.47 1748.37 1901.2 1795.04 1640.88 1997.74 1993.13 Tyr-Ile-Leu 19149.53 15835.67 21493.93 4437.88 14905.23 12824.03 1276.53 10498.81 6798.98 6040.95 7276.79 4086.24 11744.12 2112.6 15744.77 19341.58 1431.2 9788.55 5239.04 8003.82 7358.4 2224.34 1531.56 1326.01 11880.99 6512.74 1270.01 9734.07 5559.17 2208.73 3494.72 2488.39 975.75 4795.63 13904.32 5255.66 17562.78 6834.44 8073.76 28779.39 2608.82 12615.98 8442.49 16976.17 7507.29 6805.27 13380.85 7113.44 4462.97 6031.33 9536.65 10530.44 12672.41 12545.1 14349.9 10726.39 25381.63 14354.81 8110.34 12502.25 8601.26 8907.18 26062.05 7124.53 7020.29 11164.14 11097.69 12931.75 6756.28 11043.68 6646.91 3247.82 22812.9 13275.41 7137.62 13737.08 11882.16 13697.06 17221.3 13404.99 11627.07 13183.37 13421.92 11783.64 Bindarit 1181.99 1511.18 3228.15 917.19 2111.17 650.83 7788.95 2133.64 1472.85 8326.76 459.23 1377.15 3963.59 2146.26 2716.51 648.82 9883.83 415.73 1889.25 656.43 1276.47 3091.65 2644.59 2136.69 1112.02 1927.15 1938.53 1445.31 3664.04 3502.28 657.58 5084.7 1979.37 1902.76 4139.87 1176.32 3736 2081.56 750.61 1151.97 3425.76 2412.96 1314.5 518.3 1621.32 6710.69 1183.3 1713.78 4263.67 2376.59 3751.3 794.97 1270.8 1931.71 1313.71 2632.48 10226.54 1308.5 1240.61 2882.92 2453.89 1190.63 1653.14 896.49 900.34 1420.35 1356.27 3549.2 601.26 1433.54 1342.78 2369.26 1949.95 3107.63 4258.38 2209.73 2368.16 2309.16 2030.36 2364.24 2360.53 2065.26 2372.22 2320.21 Asn-Met-Met 14438.95 17535.15 7863.53 8740.79 4984.03 24768.06 11921.02 15459.51 13303.59 12913.04 9792.75 829.86 7681.75 7345.45 16495.72 16573.93 3296.42 21059.35 10975.3 15868.36 17398.18 2298.7 9039.29 10594.83 10734.47 14428.96 9596.43 7786.97 22825.22 10695.41 13598.21 3052.75 11281.1 12049.9 5997.57 11924.28 22493.5 20431.94 13374.82 10899.59 20584.17 7926.68 12305.67 8411.2 14121.25 10754.48 17202.11 11064.71 11343.85 16315.75 4824.94 17037.66 13070.59 12895.53 9839.02 18521.31 7868.34 10747.59 20934.78 23830.34 8498.23 2305.46 13163.72 16446.92 15578.6 15341.51 28269.11 8022.86 5197.6 12838.5 16205.56 8482.43 13028.69 13711.84 11363.8 10899.97 10799.84 10830.12 10575.15 11368.8 10922.15 10922.11 10543.08 9747.75 (2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic Acid 388.91 859.62 670.03 467.71 3314.35 1269.15 1017.89 478.41 2488.96 641.91 646.76 306.11 448 759.52 984.41 1082.15 399.76 1104.9 1046.81 3111.43 1074.56 1076.07 502.08 354.01 1468.62 2392.67 429.38 981.27 2377.95 1101.19 775.34 1092.72 1716.04 761.92 894.37 935.28 799.84 1092.11 423.82 385.13 978.83 1078.35 508.42 798.99 910.02 1205.53 1396.86 720.94 991.21 1426.48 645.02 481.31 882.28 645.47 1709.47 1273.13 982.49 726.38 2408.32 828.01 483.93 653.47 1390.75 863.28 508.49 1402.93 911.02 1225.5 369.77 941.64 895.4 541.13 694.82 901.61 633.11 1490.21 1372.84 1519.51 1646.39 1367.17 1393.31 1132.02 1382.15 1497.21 Ala-Arg-Trp 8458.96 8405.79 19959.07 23665.58 19262.69 12687.86 46747.89 11860.8 8566.74 9429.61 7294.32 21764.57 45669.38 15278.34 10101.76 11882.43 7444.79 9691.91 25087.87 9958.65 4648.16 2376.42 16308.95 15797.63 18739.04 5942.55 11941.92 20959.69 8094.65 2468.7 5349.36 14135.28 4964.12 23433.18 21292.33 14592.29 9409 4486.41 18531.92 15615.9 1725.63 6507.42 22519.61 10872.85 7789.46 46589.23 8057.67 13769.16 33362.41 15282.93 35362.6 11195.64 25866.31 54642.41 15689.17 7164.5 10657.9 12093.85 4292.35 12143.5 10929.69 12866.15 12447.56 23891.52 13028.19 17250.59 3896.78 10760.18 11545.13 10759.11 7918.15 7167.7 12587.8 21127.46 30465.14 16055.04 15931.07 15678.48 15771.74 16178.39 15721.89 17631.18 16057.48 15198.17 Ile-Gln-Val 2514.18 3380.19 1469.6 744.28 9020.11 3901.47 2684.13 10139.76 8950.32 6095.88 2510.93 4749 3773.41 6540.11 2561.18 12754.99 2474.33 8174.1 13718.43 8702.38 10018.5 3214.08 1851.68 646.46 1977.38 4972.89 2230.25 2935.25 8764.83 6869.62 3991.52 22785.69 8713.79 7099.47 3516.95 7977.09 8430.28 2686.19 2557.01 1730.26 9136.8 7742.01 3732.8 3807.97 8918.78 6144.73 8184.64 7171.31 10533.1 19693.07 5465.32 6605.18 6370.42 2506.12 7959.88 6090.04 657.43 1696.16 9514.38 5986.13 2576.19 3035.4 9388.96 4584.43 2912.16 7788.48 10962.92 2770.22 3001.42 8185.15 5118.24 6959.86 5195.41 1965.61 2995.41 7981.7 8340.74 7922.87 7914.43 7859.67 7841.98 8007.08 8046.57 7526.38 Gly-Lys-Lys-Gln-Leu 9024.71 25266.33 20077.02 3592.71 12831.75 23920.98 11096.5 12190.06 14383.82 11778.15 9902.25 12236.89 9034.73 882.23 18385.92 1233.44 12631.14 9531.6 14039.89 16940.55 2920.8 15371.78 12221.37 11536.42 1208.16 2114.23 15107.22 4817.23 13168 11140.14 11951.82 14668.23 19091.27 17953.37 26268.86 17952.54 16930.78 23376.89 16366.87 17661.5 12874.12 20564.53 18133.34 19259.9 16025.91 3302.15 15853.02 18339.41 4565.41 33008.23 21059.3 17043.83 22787.33 17506.33 4994.76 7246.76 12147.35 16080.28 12237.16 16089.56 12260.58 8277.17 9113.29 10637.16 8320.9 20907.5 21034.55 14999.52 6483.61 11184.49 14101.08 11642.85 8392.85 20110.88 8082.67 4209.26 10083.98 3885.38 3561.97 3642.1 3899.03 4526.84 4410.06 4484.65 4160.54 4610.5 4223.27 4214.64 4538.04 4261.66 2918.02 3883.13 3345.59 4416.53 4738.37 4531.29 3981.24 4238.53 3826.57 4431.14 16073.12 15877.98 16009.84 16784.99 16690.62 16676.99 15896.52 16525.3 16664.86 Lys-Val-Tyr 12151.55 8420.82 1184.89 1719.25 51593.94 11423.01 7151.39 20028.07 15563.99 17832.58 4752.16 15219.05 2685.04 1084.27 16696.87 26205.58 3077.86 27731.99 21217.59 21655.9 22707.25 8652.61 6934.15 5362.62 19403.48 15432.53 10337.33 4639.13 19075.81 4015.58 16698.66 87894.49 12353.3 10383.31 7913.04 21404.97 6951.92 6134.45 4757.14 4753.35 14274.35 25581.82 12388.52 5167.94 27690.64 10767.71 14381.54 6514.07 21951.38 30924.13 17796.27 13248.76 6171.5 8846 18030.74 12580.05 4822.41 2922.55 33110.17 7304.82 3386.65 5747.36 16508.59 15191.16 6842.76 22100.41 17283.32 5312.17 7101.37 20597.46 9419.87 10919.77 12673.78 11777.71 5766.25 16667.29 12565.65 16050.22 16492.22 16082.41 16165.46 16733.22 16986.7 16196.09 6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 7055.08 11894.39 16465.75 18051.31 9589.66 23653.84 27235.69 3934.6 10759.45 18382.27 19922.22 22080.26 23188.12 17079.97 8387.03 30518.33 16610.34 6409.56 34890.8 9244.28 16674.69 10816.83 16969.86 19677.39 9862.22 13503.86 20595.71 26363.01 11257.85 16373.99 15981.12 35285.36 6638.98 26893.09 18941.88 11116.9 10923.64 16297.9 20104.17 15875.28 21835.9 20364.22 21510.52 17776.46 11566.7 22583.67 10955.33 22270.03 22521.97 35291.41 13063.13 7264.44 23091.36 28293.09 6803.3 9213.16 12228.61 12849.12 9722.49 14076.35 14982.61 15864.59 9810.24 19974.75 14862.14 10049.14 14159.24 21110.44 19787.47 9049.38 9201.31 19340.09 20407.77 17558.93 26113.64 19723.7 19601.33 19838.81 19536.89 19506.73 18912.81 19621.61 19731.11 19783.46 Gln-Val-Thr-Lys 7118.99 9539.93 11604.5 8660.48 20649.77 15441.01 10147.5 20115.69 9841.85 9009.33 12451.33 2723.83 4079.1 8304.29 8408.76 7977.19 10575.37 2964.03 5122.41 3701.74 12546.27 5245.75 5074.81 10763.68 11252.23 10836.03 9773.48 12525.76 9312.37 8361.32 4326.86 1784.62 7119.37 12778.44 11376.76 13071.55 12711.16 9941.86 7631.75 8063.36 9007.67 8341.92 12466.52 8599.94 16612.93 3228.72 10410.74 12234.42 2307.02 8746.04 4511.33 13194.19 5824.87 9245.3 11999.74 11361 8457.34 11843.26 10293.65 9056.72 9021.85 7712.43 7694.11 12790.6 7074.49 9550.59 9102.38 6950.83 9213.45 13088.22 4438.29 15874.07 11260.16 9251.88 11435.26 4796.32 9423.34 4630.69 5878.45 5511.96 7055.33 6438.6 4357.52 5537.25 6191.48 5213.59 4901.6 4707.4 6028.11 5802.22 4076.3 7016.02 4842.11 6698.72 4585.77 5091.24 5456.95 6020.09 6670.32 6267.14 9959.34 9942.33 10081.67 7148.14 10327.86 9888.52 9942.58 10388.75 10380.4 Val-His-Val 3206.56 2676.77 3155.14 3017.35 3263.23 2260.12 3512.48 4171.62 2757.95 3536.89 2238.72 2551.31 3043.52 3583.82 2830.55 2820.22 2682.86 2981.32 3648.31 2787.5 2371.68 947.88 2591.51 3368.31 3822.51 2855.88 3738.46 3896.67 3366.46 2239.2 2075.1 3238.77 2018.93 4433.24 3474.56 3483 3045.98 2226.94 3307.23 3313.6 503.74 2467.44 3099.21 2336.44 2337.02 2174.99 2744.48 3155.65 3246.28 3037.43 3445.76 2720.62 2893.21 3639.72 2370.68 2409.73 2098.09 2489.49 2126.7 2644.81 2941.46 3438.31 2707.12 3461.66 2527.52 3102.41 2002.73 3150.39 2864.76 3183.13 2631.51 2565.64 2945.32 2869.5 3062.79 3127.23 3027.25 3111.97 3168.54 3330.07 3130.29 3113.01 3166.79 3112.12 Ala-Arg-Met 12931.34 8675.61 7544.94 8149.29 6600.93 14988.39 10569.32 9259.99 10038.33 9322.21 8562.7 8455.25 15934.61 14506.07 10321.45 11528.21 7602.51 10045.16 11511.63 10004.99 8491.67 8752.4 7590.36 7445.29 5786.14 11816.75 6285.86 9097.6 12779.14 10131.17 14470.92 16993.54 8178.13 11733.31 7309.36 7950.92 6276.36 9758.06 7131.72 6881.1 12855.56 14606.71 7685.58 7074.67 12010.71 13583.26 9408.63 8717.85 12469.36 18531.65 10864.78 12187.08 9408.32 13001.19 7632.61 9808.54 6906.65 8661.59 5838.05 6419.09 5956.76 6021.81 8632.86 9846.55 6734.26 10030.58 12567.97 7286.8 7239.07 6892.75 8968.53 5923.63 7335.42 10173.31 9025.26 11155.34 10630.13 10654.51 10675.05 10630.65 10630.98 10652.08 10635.93 10776.61 Threoninyl-Isoleucine 27196.66 32663.79 18106.31 12366.46 26053.51 41534.36 15898.37 23133.91 33747.77 28413.66 15860.73 14202.97 9538.81 11585.54 39171.24 10264.52 23448.95 11574.15 55872.55 9842.74 23086.78 28850.85 18514.33 4162.41 25924.05 37673.16 17860.74 6872.22 11978.13 6888.55 11824.33 15124.88 28465.65 24362.57 19653.81 25114.83 28125.01 19688.37 17066.73 22666.19 27854.37 37402.99 20156.78 15163.53 39955.35 21730.46 37799.37 19528.02 17303.13 36462.48 23188.1 35930.96 21527.31 25656.66 20199.91 34171.62 3781 10420.56 42884.27 14100.66 27015.67 18755.03 27436.95 26709.47 16819.89 19725.41 30626.6 18381.52 15442.37 34615.72 22814.64 31551.91 25128.09 20461.38 31601.68 26626.5 25325.59 24521.54 23311.33 26646.14 25888.65 27293.18 30612.1 23280.93 Met-Tyr-Ser 4649.34 3215.84 3518.53 445.46 9786.95 3278.75 1779.89 1587.99 7265.8 2144.45 1278.49 3862.92 921.08 5257.8 6311.87 1699.71 2434.58 5318.26 6176.64 4734.2 1480.96 577.53 857.18 6311.72 20226.24 3176.78 1371.75 971.39 1544.4 1477.39 3442.47 7996.44 2959.36 521.49 2350.17 29854 6279.74 1314.51 1951.96 6686.73 31339.76 5063.27 1361.49 721.55 1709.87 4612.56 3757.14 4065.27 19286.81 4782.25 879.46 2612.03 3996.41 3544.14 5089.48 5471.07 3378.39 990.79 4643.65 1886.21 3064.94 1025.25 5745.12 2597.11 5406.38 5085.29 1700.57 5048.44 3705.5 9628.63 26813.1 996 1621.1 4466.52 841.25 3082.33 3839.6 3753.8 3726.45 4138.57 3759.65 3877.54 4087.64 2698.9 Arg-Met-Gly 5644.37 4078.78 4486.2 3568.08 5011.72 7706.18 4125.65 10377.79 11122.76 17676.98 2788.83 5491.72 2677.31 1524.77 7521.25 457.48 3001.55 870.41 451.81 7912.03 7612.58 4216.69 2460.53 4013.25 632.73 6957.17 3591.72 5132.45 9600.35 4362.27 15645.8 1810.92 4307.98 828.08 3895.21 9688.18 8807.81 547.76 8802.82 3938.05 6382.69 10030.73 3742.56 2761.54 11313.59 1023.31 4509.15 4041.08 670.46 1100.07 7577.37 791.66 2616.97 4010.03 4360.95 4162.7 2358.24 2440.82 8937.93 4020.43 2844.3 3062.14 1639.85 2691.6 2875.98 6113.56 3778.3 2391.45 4046.68 13317.52 11597.13 41603.29 4809.26 2916.7 1814.98 5875.66 5400.1 5077.52 5393.16 5534.77 5442.81 5534.48 5460.48 5389.29 Glu-Tyr-Ile 2238.09 146.66 7009.29 15426.55 51007.5 59519.17 37983.58 2591.65 144.5 2562.23 1905.36 297.57 5103.77 133.52 158.96 5425.14 1840.41 3006.71 4010.58 1583.45 2910.49 7147.87 3086.44 3055.76 432.2 109.84 1296.44 2410.16 3258.77 1661.48 1576.77 1202.66 198.59 4429.51 102.6 264.97 205.45 3084.3 2818.13 2765.76 35425.61 4009.19 214.22 126.94 138.04 5001.65 122.24 3763.93 1926.24 713.61 653.37 2791.19 154.39 1052.95 390.39 2820.19 4891.84 2861.98 1270.97 7752.3 2928.83 2372.9 219.15 191.94 127.08 1266.68 205.93 124.41 3336.95 126.41 207.66 2712.79 1915.17 4409.4 2418.67 12333.97 12268.94 12333.84 12323.47 12335.41 12295.96 12334.74 12200.39 12268.5 Tyr-Leu-Gly 746.22 3334.55 5425.81 6403.01 1042.01 3200.71 4371.6 1263.14 369.85 601.5 2727.04 5827.17 844.03 2399.08 2081.27 2845.48 1290.7 3830.05 1385.62 1029.38 2118.31 9580.45 4005.73 799 1596.32 1236 576.72 1086.11 330 445.2 1508.39 3138.68 5306.96 1974.73 1859.34 1655.87 1780.22 2205.26 576.58 1060.52 1426.71 1051.86 1876.36 1293.18 2364.25 559.15 1119.54 417.54 2121.94 1563.75 1406.3 1313.65 2890.44 3668.45 1377.07 9762.88 9367.75 2724.13 1272.55 23250.73 2068.2 689.11 3540.49 2341.94 6568.45 2952.6 3637.67 648.22 1451.71 526.04 1625.1 3257.36 1334.9 1130.77 2992.26 818.56 3146.6 3036.32 2831.46 2748.9 3139.35 2966.47 2885.12 2730.39 Arg-Pro-Leu 1161.1 348.98 91.17 5878.52 35433.7 13999.96 14048.18 857.22 168.3 810.25 215.45 332.38 3987.27 469.2 926.76 3468.39 761.85 302.84 217.31 2321.8 664.64 128.54 638.12 1157.95 544.13 632.43 1156.04 1292.22 418.57 317.41 451.9 1114.58 121.99 653.76 562.77 151.64 197.66 1056.32 509.59 885.33 13728.25 3498.52 137.56 653.16 197.96 1926.74 567.62 547.4 116.69 560.31 1093.82 231.62 456.69 435.98 930.13 209.82 355.72 813.52 120.59 3984.74 883.41 2144.82 785.14 997.68 510.43 740.45 92.33 253.45 1532.62 603.74 479.95 1511.27 98.18 916.49 452.42 5424.36 5372.07 5419.72 5323.54 5326.59 5424.69 5422.04 5249.55 5509.52 Phe-Thr-Ile 17621.35 21668.16 11730.9 14437.08 41059.44 50876.29 18414.51 25828.75 30371.69 19456.95 10432.42 10961.67 18350.46 13357.5 34277.09 20044.79 11211.53 23077.91 19025.68 28645.49 22642.51 19614.56 14387.94 14054.12 34305.92 31880.02 15193.05 18394.52 33616.8 10961.58 21331.89 32573 22632.18 26153.86 17881.09 19444.13 23052.63 22461.91 14333.78 16983.37 29007.57 32591.94 18512.02 10839.34 28302.08 15534.45 27158.17 14272.19 11757.79 24077.69 19548.74 22576.24 19184.17 18290.88 17564.14 25252.77 10617.75 9782.95 27427.41 38921.51 11704.71 11155.95 26994.76 19283.11 14337.06 24934.65 33964.21 11010.48 10842.52 21609.37 25597.95 15005.9 13639.55 20823.54 17160.15 23745.64 23204.46 22911.68 22933.88 22666.63 22727.25 23088.57 22824.58 23209.26 1-(2-Cyclohexylethyl)-3-(2-methoxyphenylacetyl)indole 133.42 118.57 258.44 20318.52 50708.87 76905.33 61908.1 436.49 552.03 761.16 396.86 309.09 6915.73 103.59 456.21 7479.39 1610.76 530.49 1638.75 383.1 567.25 1150.05 845.2 875.69 381.93 187.18 1432.26 396.7 62.01 376.99 448.07 463.74 315.38 565.71 318.93 567.53 565.49 1739.28 100.44 853.7 28011.77 2777.71 922.92 740.1 139.94 5021.6 688.54 1891.74 666.11 491.61 783.09 127.22 683 1329.02 1782.01 822.37 92.84 595.21 1133.67 5723.14 604.03 2911.9 125.73 231.69 100.41 1177.27 802.55 242.03 638.13 410.25 438.9 667.6 777.84 1190.36 3151.93 6724.65 6633.45 6634.73 6598.89 6573.15 6634 6587.06 6633.84 6535.03 His-Asn-Leu 10614.01 4083.49 27461.17 24659.93 13349 19677.81 31554.47 17652.07 14286.22 15302.8 27432.35 33507.82 20525.78 26277.65 8762.31 34899.48 21488.36 9505.71 29360.02 13046.23 14191.64 11427.22 25056.31 27624.49 13616.03 13427.93 24568.25 24680.02 10538.19 24202.32 4743.14 29616.33 7479.8 29465.25 28905.38 14576.72 13227.69 11744.35 22773.26 23796.87 14690.11 14827.79 27158.5 29117.31 8325.6 22587.94 10620.02 34530.01 23635.1 24409.31 15528.39 13316.53 26329.37 36756.99 4540.47 8734.76 24217.44 18536.71 17138.26 6794.7 22005.21 23614 8462.21 32919.44 21179.84 12541.38 15371.14 31062.43 34709.3 9024.24 18245.42 24158.01 34005.95 32423.8 32392.06 19534.63 18040.49 17736.15 18866.67 12648.05 19149.04 18570.48 18690.03 19879.58 Val-Arg-Val 220.36 663.64 293.87 1730.92 3484.23 2679.97 429.03 296.85 710.72 452.45 261.54 378.67 583.56 797.07 3241.81 562.81 3319.22 3073.98 1610.38 1286.29 589.93 1498.95 1213.71 364.15 1121.8 337.61 799.28 773.19 1747.55 632.35 1326.52 727.62 572.72 538 479.68 2393.78 1206 1477.95 886.56 856.86 5605.89 2738.53 1370.61 2167.51 1010.53 328.01 4324.75 3030.19 749.76 362.43 736.11 264.97 1601.88 991.25 2509.8 1688.06 522.93 927.35 308.21 1797.08 593.4 733.37 1351.83 1604.18 826.84 444.68 1063.38 551.36 907.96 2053.12 961.03 1998.95 247.5 756.2 2068.51 2496.4 2553.11 2247.24 763.31 2512.21 2319.23 2513.86 2509.55 2596.66 7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine 15629.85 27905.94 13596.01 19209.9 10057.79 3375.65 10998.79 6969.3 892.18 1300.1 12810.95 5081.84 8508.51 6896.14 4622.1 15119.92 5280.67 2039.94 6940.25 5616.32 10261.95 14285.27 5216.8 22126.11 10787.61 11096.49 19346 7309.22 12522.66 12271.14 14700.72 7722.36 8413.51 10510.86 5508.18 3062.09 11958.53 10398.68 3593.86 7502.37 3300.02 4113.11 6049.2 11278.19 7076.55 10709.23 1310.57 8791.18 986.92 3049.88 7168.27 5047.88 4125.52 4438.57 2891.56 4298.81 1534.95 4896.96 2991.25 2736.92 1141.22 1422.57 9428.94 3005.27 4174.75 6806.14 2854.87 5230.1 3775.59 1630.35 1032.71 1436.3 8250.06 35952.95 1679.45 3211.94 2855.52 2949.91 2938.43 2823.48 3400.21 2859.58 3253.22 3169.15 Val-Lys-Val 907.64 888.75 946.71 1401.91 6944.45 1955.55 1726.37 8794.06 16842.2 3122.89 1204.77 2262.12 2011.74 810.62 11258.84 1720.26 714.03 6446.76 933.59 11178.35 573.29 997.42 749.26 859.59 9482.58 11555.59 3748 1391.65 6656.55 1228.47 3672.25 740.49 10936.6 741.29 1408.06 4266.82 2077.24 1280.36 488.1 4832.37 1351.7 791.03 5573.83 762.12 894.28 2182.99 3404.86 1778.73 1861.35 1985.9 1044.51 597.89 1465.91 2287.91 3053.67 421.77 1650.8 2552.14 8038.89 2335.94 495.95 1123.22 6363.71 4965.32 5181.39 2064.56 1535.67 834.16 913.27 7073.88 14451.6 1168.2 1808.96 5601.71 1257.84 1856.77 2182.85 2149.88 2147.73 2120.64 1882.08 1542.22 2078.75 1938.42 Glu-Met-Tyr 5060.68 7062.34 2575.36 2358.14 3174.29 9669.01 3955.43 7349.81 13917.69 3035.85 1871.24 3981.82 2952.38 1038.12 3970.73 1325.72 3942.1 4369.3 2900.17 12147.12 7196.43 4871.99 3431.69 1494.56 11111.91 4779.58 6204.54 6432.58 8066.25 622.84 8403.13 2155.11 5783.88 917.52 3362.94 5857.17 10937.63 7889.57 4744.75 6312.7 6294.1 10829.6 3627.73 558.65 11085.47 2714.87 21117.37 2956.99 2258.72 4454.57 5828.34 9141.99 5206.38 2497.67 4089.19 9441.04 530.18 3146.91 6332.88 11457.02 3221.82 1301.16 7846.12 4309.19 3723.1 7274.03 11373.19 2609.47 4212.81 9571.75 11722.22 4176.5 6002.27 4384.52 6025.76 6387.94 5418.62 6378.53 6077.19 6174.92 6030.95 6390.58 7018.93 5964.36 Cyanolide A 1496.29 1887.69 1166.66 2242.57 1443.84 1847.08 683.84 2420.84 1378.27 2734.84 437.32 1419.04 1063.66 446.81 1033.1 869.02 2033.43 1298.65 1382.03 1339.71 560.71 857.93 1177.16 2472.08 1894.13 1503.01 389.28 919.43 664.14 1364.2 1804.23 768.65 341.28 2711.54 4046.55 4220.62 12862.63 2618.29 1497.7 5016.97 2796.58 1763.72 1890.81 4950.38 2965.62 3519.71 3480.03 1830.58 1901.12 2556.39 6386.7 3733.57 2402.31 3193.3 4131.97 8456.68 8759.83 9845.33 3944.61 3963.22 3793.25 3744.98 5791.37 10955.26 9696.14 4031.83 5098.36 3485.44 4980.11 6156.4 7853.87 2041.58 11967.42 8375.38 2176.89 5259.89 4852.61 4891.77 4566.15 4951.92 4116.38 4510.4 4134.21 4894.22 Glu-Pro-Pro-Arg-Asp 1894.5 901.17 738.24 1002.43 1888.28 3913.61 1419.78 1552.97 7757.21 6027.57 640.83 1023.53 561.93 1608.01 2376.01 1040.49 383.52 7846.59 3288.86 4942.04 1421.12 771.67 340.35 315.73 1330.85 747.45 4258.23 8828.68 401.2 806.36 693.37 1094.96 1105.46 3857.12 3452.28 5568.63 7086.91 2755.65 1624.43 5211.76 12043.43 10349.82 5917.33 2319.98 4304.95 11805.26 13849.98 4519.67 1329.94 2700.66 4675.67 2049.25 1502.88 3750.61 2520.9 4033.54 1488.45 2517.38 3303.24 1672.71 4303.2 2506.67 3079.6 8084.05 4973.61 4626 5095.35 1766.11 2785.62 2751 7897.8 7599.54 999.01 2952.7 3753.44 4488.33 4379.63 4359.49 1438.3 4735.52 4944.51 4875.75 4432.4 4963.63 Phe-Trp-Tyr 8160.85 6615.58 15597.32 15658.06 1492.07 1907.75 8316.84 6867.68 2383.04 14539.06 11710.38 11311.72 18200.26 18958.88 550.53 12099.89 10337 5273.68 12905.79 575.57 7999.92 1606.7 14262.98 17161.6 4516.87 15004.76 17478.54 23720.72 3201.62 2016.85 1279.84 23290.16 1850.92 20020.46 16365.8 11663.44 9186.59 9718.91 17381.01 16325.47 1072.96 9095.39 27949.72 17588.12 4893.84 14867.98 7268.46 15338.28 14910.88 20414.73 9527.34 13526.05 20079.09 18398.08 10496.74 9153.76 13960.39 15431.56 4953.05 6513.43 12481.8 17362.46 10324.28 17165.5 10014 14071.28 1027.02 20629.48 18506.83 8163.76 7384.43 19122.02 19148.84 16505.52 17309.79 10559.86 10126.07 9122.03 10557.49 10527.22 10116.36 10503.19 10558.67 10312.02 Gly-Val-Ala-Asp-Val 21709.98 1524.4 4699.05 3708.07 40711.68 3685.42 3169.1 30686 35512.57 20034.8 8043.17 15196.4 3720.67 8745.31 27781.3 5613.98 1204 20628.26 1043.73 33277.73 24330.11 1456.79 868.45 6557.64 38968.99 18077.05 10371.95 16312.82 28888.29 9457.95 30941.76 1170.18 19548.29 2157.2 1546.71 29111.77 29597.58 4772.78 8412.92 12854.59 29992.94 13953.59 1939.95 5423.24 30135.03 4255.06 6362.78 5280.04 2489.58 16438.86 9101.67 4697.51 1353.04 4462.7 21678.34 1192.16 3128.92 493.38 18569.32 853.4 6224.11 823.52 30146.53 5067.94 11372.89 34884.26 41878.9 6969.32 2652.62 39476.94 32549.02 11303.92 16748.76 1595.96 1547.23 13553.77 13562.72 14335.19 13669.51 14473.33 15392.27 10612.62 14328.32 13854.33 Apinaca 352.41 1818.47 7397.31 6674.41 10748.05 21328.1 17296.93 301.23 1745.62 1360.57 181.93 706.57 6304.81 1477.91 1592.29 1927.07 818.83 645.34 2032.09 925.1 377.93 16458.13 903.73 450.02 899.07 2434.96 1771.22 345.04 3130.73 875.49 325.16 1313.85 1630.25 2270.11 924.22 249.83 313.87 1138.15 161.19 166.01 5761.72 529.52 469.36 2012.64 3014.69 7282.04 1137.74 859.53 1470.68 2496.94 1257.49 447.51 1342.24 1761.27 752.49 1486.04 684.11 1262 978.14 3510.05 313.16 503.16 306.85 4904.29 694.14 929.74 565.44 335.58 509.91 1103.7 470.4 584.3 1300.99 3411.79 1549.94 3751.71 3933.99 4014.76 3784.43 4496.76 3136.98 4146.84 3785.96 4923.83 Tyr-Pro-Gly 7075.48 31453.32 8460.48 5321.59 21038.84 13538.26 12396.93 60703.4 11869.24 26362.34 13556.77 13491.09 5516.04 5583.31 51683 19484.92 10044.91 29751.66 90051.53 24478.88 40383.66 19269.04 8184.64 6738.52 49275.63 14142.25 15141.39 1991.97 6652.28 2499.24 14142.89 19308.09 33145.64 14814.37 29579.77 35479.91 48234.48 31827.24 14407.31 20747.04 31390.25 88241.08 36373.27 14133.82 36099.12 21537.31 45017.7 28275.09 15309.33 27465.03 36813.16 60107.87 21369.64 26850.27 23526.59 35675.16 12763.41 12104.32 56057.6 13163.09 10658.21 14152.67 31777.06 22626.19 7004.95 43671.43 51391.58 17920.41 9853.64 49103.11 45569.86 25620.45 12695.52 6122.99 13752.89 17408.54 21228.31 20568.59 20552 19833.89 17587.14 20262.88 19984.85 20674.24 Arg-Val-Ser 99680.67 119700.09 131826.77 48036.87 23196.56 307957.2 55254.07 124774.55 74265.4 112458.93 89989.08 60304.07 47401.8 127261.06 121954.1 52465.67 99137.68 132713.09 112141.42 113208.11 168535.45 86716.42 72988.51 74273.76 69058.74 123514.05 112337.91 110089.07 61832.14 114856.84 191694.42 106534.09 97624.62 105145.38 100504.75 87202.64 100148.76 169037.48 172536.42 100432.39 51387.85 94629.78 151883.97 93279.03 94803.07 29572.72 84054.29 101215.14 39448.28 62800.71 97115.03 115475.8 89924.77 71204.44 58135.3 117153.62 100669.05 142442.74 107955.22 120636.15 112332.29 130421.54 100897.19 86882.69 143266.57 129470.87 186491.26 154220.89 92292.35 73184.84 111299.61 97300.18 73799.79 70378.45 58180.6 7281.15 12100.65 5716.98 8034.66 5391.77 10922.22 4517.98 8508.17 4187.68 4261.77 5226.18 2538.11 8193.39 8341.46 7449.57 11874.15 12250.71 9924.11 8845.63 5963.39 12443.96 9168.88 9778.88 12957.99 11529.55 93074.04 86760.59 96245.17 96287.92 92248.24 93178.84 93318.58 96693.75 95310.78 Lys-Lys-Arg 40352.34 26907.06 7571.97 8118.99 78982.48 41990.99 7051.23 72943.76 45896.25 3394.98 9668.76 27123.4 558.88 607.98 34744.38 1339.44 8910.74 40973.31 1017.41 19013.12 100765.93 24940.59 462.56 520.62 77589.31 69456.03 15931.08 1093.2 24980.34 14855.42 61725.8 78678.55 47261.36 1455.17 1387.57 38222.31 29789.69 22803.9 2233.08 559.08 49457.12 123043.11 4742.36 1156.32 71193.23 1539.19 78469.94 61442.3 13271.18 2002.43 67946.96 46175.64 1795.67 3321.69 77594.83 34815.46 1888.96 588.41 95851.73 49326.93 2306.47 2519.38 39316.05 2237.44 1634.44 41635.86 11168.51 942.31 1433.81 58880.12 16772.16 3053.95 3555.92 2390.71 2715.22 32078.84 32272.45 32166.87 32264.77 31379.98 32032.69 32264.15 32102.39 32271.65 Phe-Asp-Asp 7679.35 6903.95 712.3 1395.79 1921.51 3843.07 2172.14 13084.06 13469.57 5852.18 3358.04 2665.7 2677.53 1348.41 6555.89 6738.55 4318.44 15890.15 4725.33 22939.36 7665.5 70983.05 2307.68 2746.54 17976.62 9325.88 911.73 2316.65 2091.85 1230.85 26380.34 6292.82 2970.25 1222.74 564.93 5657.27 13784.83 3896.99 2800.61 4213.78 6652.2 13193.85 3403.07 784.26 17162.26 930.52 19797.74 1479.31 3383.6 8324.78 5963.26 1507.76 2370.64 2928.9 8541.42 5673.74 1318.54 3694.92 16770.11 2775.25 1013.93 1156.14 5805.29 9005.65 5518.06 4215.6 10073.25 1643.26 5017.94 19927.52 12911.99 3753.62 7187.1 1898.58 1718.79 6918.87 4845.3 6427.77 6483.58 6303.62 6333.64 6134.06 6005.2 5916.75 Met-Lys-Phe 20496.19 4223.98 2580.32 3641.44 22715.29 15719.92 12005.79 33073.32 26876.43 12545.39 5006.85 15083.19 10778.75 5642.01 23611.79 17813.79 5526.36 27900.21 38158.43 22550.53 27026.85 4043.68 8060.82 4206.28 10630.2 17445.03 9858.6 5194.14 37369.05 31142.22 19208.62 36855.28 15045.69 2615.43 1076.48 23085.27 9687.32 1177.44 3954.46 3628 11560.71 10072.89 2095.42 831.28 18399.16 5460.68 7888.97 9181.77 17007.45 2821.21 9418.27 8096.39 1119.75 1771.03 1185.46 7694.1 579.28 2858.54 20416.98 3414.21 1869.28 1531.12 2502.69 3492.21 1938.76 11933.95 10045.18 2873.59 3113.14 7884.79 9930.27 5119.97 5011.52 559.7 1756.55 2090.01 7284 7620.48 7573.16 7083.69 7642.83 7670.71 7636.27 6994.21 His-Lys-Ile-Asp 5919.14 3468.78 1517.54 1200.56 9940.59 9920.47 7739.9 10472.81 2692.55 5835.63 1119.9 3098.73 6851.02 6035.48 16599.4 8757.59 1659.98 19271.13 45227.17 5541.19 3797.92 579.29 4295.34 1930.29 1926.61 4240.71 1156.45 1589.91 13486.19 6579.6 3460.36 11999.06 9383.03 5556.82 2128.87 10085.45 11426 5401.9 3506.5 2998.72 1969.56 9010.45 5104.37 4079 17386.93 5556.5 9278.9 14904.42 5847.79 20022.86 5756.83 6467.75 3245.85 1627.75 11653.89 21280.4 5204.52 2509.59 11006.56 1357.11 2216.09 7158.33 6745.1 12116.7 6514.01 9055.35 4888.46 3072.55 3976.87 7268.79 6171.31 11403.1 7450.6 1099.81 4161.38 9322.08 9437.34 9489.42 10000.58 9491.7 9923.03 10008.04 9286.71 9916.36 Pro-Ser-Ser 14677.03 23113.93 2174.36 4234.41 9642.59 909.43 5282.43 23265.6 21372.81 13091.66 8486.7 6728.62 7946.58 8535.12 21861.83 5850.57 10996.04 17284.91 8364.97 35775.72 18646.44 8064.21 6150.68 10782.22 22153.61 20974.51 2359.61 1434.17 19124.86 5722.17 23280.43 17358.59 14411.72 10308.25 10413.98 17888.29 27340.96 12174.73 9594.24 8344.78 21467.08 29293.01 8924.91 12599.93 25967.09 6535.34 18192.65 13198.41 9147.46 16458.58 15505.19 15868.15 13089.81 10569.97 9164.22 17017.73 3537.48 4250.14 20621.91 7098.72 6525.32 5481.86 8638.3 7784.55 13107.57 22949.42 25517.89 10211.12 12312.31 20510.08 17740.51 18046.97 10998.96 15385.91 6476.6 15554.89 15217.77 15267.54 15563.45 14672.27 15252.4 15824.26 15551.66 16122.09 Psoromic acid 4718.11 5343.85 5690.74 7313.87 8788.79 4292.94 7956.23 9236.38 5603.04 1133.81 3397.64 4826.03 4049.39 1247.9 11473.59 5979.02 1655.86 6200.69 5393.82 6189.43 6794.4 3382.38 2541.55 3497.41 5920.69 4283.9 3823.16 4132.5 12475.64 3393.71 3318.44 4416.72 4922.28 4008.38 943.43 6695.33 6391.05 2392.28 5412.65 8787.48 3643.1 5009.12 4129.79 1809.52 5220 10257.05 7984.63 5848.79 3510.84 4832.09 7346.72 6248.75 4718.24 9496.76 7068.1 5262.24 5929.3 6710.6 5329.78 2584.93 2790.49 4906.44 3970.74 8133.72 1767.23 7732.75 3144.05 1264.3 3082.83 9500.92 6572.35 2101.72 5624.47 8830.3 6756.43 3857.98 4156.09 4160.32 4248.26 4252.87 4353.44 2617.83 4035.88 4050.32 Thr-Leu-Lys 19398.67 11223.15 8899.96 6311.23 2556.63 8749.76 6168.5 10720.22 2335.06 1823.52 5637.02 6215.35 831.28 12018.69 4969.78 3988.42 6840.58 1305.62 15502.33 840.72 5635.06 5169.45 1529.56 8830.64 9294.38 6816.67 11198.27 676.26 807.78 525.23 1187.39 1942.3 4961.51 6263.99 7090.25 12871.86 4674.13 3800.49 4596.33 5073.81 3492.86 10222.87 8270.23 7366.85 13657.56 3828.52 4722.8 3934.57 11811.08 7022.87 26868.66 10107.75 16503.42 14611.85 15393.14 11432.82 9420.83 5445.4 6788.07 4433.46 12458.33 13638.46 4528.58 7329.78 2580.16 7122.04 4726.22 2634.78 5233.1 6018.7 7032.09 2843.41 5973.86 9123.25 8046.67 7075.47 7090.2 6150.58 7579.82 6668.89 7086.6 7058.6 6707.53 7059.41 Val-Glu-Ala 728.86 1713.47 2379.33 1720.12 1436.46 706.05 557.6 3260.89 2073.84 464.65 1132.08 2397.15 1604.6 930.17 419.33 2078.43 394.28 1531.44 4855.58 1624.83 1890.85 668.3 592.69 734.24 1934.35 4324.96 2167.76 544.44 3575.41 3291.16 1718.34 1414.74 1414.37 3677.51 1455.48 2503.49 1001.57 2405.16 1531.18 1499.82 1252.61 1769.11 4168.09 1457.77 868.94 1162.24 1776.54 1254.33 6595.59 2912.69 2392.17 2145.65 3935.24 1240.5 1853.24 4550.35 1663.88 1926.7 2019.18 2005.04 1540.16 2322.05 2541.03 1421.02 1793.8 2418.76 1476.89 1086.33 2625.05 767.95 1980.12 640.46 2866.37 620.58 1757.69 1245.37 2456.05 2361.92 2502.92 2542.87 2454.01 2481.22 2688.12 2348.7 Tyr-Thr-Lys 6959.5 6715.13 7078.26 6424.58 4982.64 145275.31 28716.75 7237.94 1368.31 14081.34 8197.68 3586.45 6892.41 8438.09 970.48 10780 5771.3 7199.23 11118.61 11809.49 6438.01 92776.9 7586.68 10271.06 7086.37 19079.66 8927.65 13335.01 13723.72 11209.91 3676.09 16636.79 5494.83 7974.94 7920.63 5503.84 8608.66 102380.58 9399.29 7691.31 11370.95 11747.79 9868.92 8877.5 9567.69 8224.1 9154.46 10650.33 11286.89 15692.87 9338.21 7651.59 10018.77 9731.4 8159.23 4334.72 2862.5 3575.35 7538.29 15541.06 5983.01 6611 6515.75 7629.95 6521.54 8343.2 8512.23 7841.14 9633.43 6225.3 7835.03 7509.33 9951.64 6375.86 11075.08 11119.07 10913.21 11146.72 10677.89 10647.75 9691.66 11269.86 11107.45 11131.99 Ala-Lys-Gln 552.52 521.74 5611.98 3581.79 3082.54 5576.92 3229.52 1969.44 961.7 2393.49 2868.27 1179.78 1290.33 5179.24 1037.92 4860.55 2092.15 1608.74 3433.84 1802.28 740.98 915.44 3727.5 2825.05 1121.4 2915.15 3576.34 732.24 1209.19 790.98 1061.56 3341.98 942.35 6037.25 5497 566.12 1115.86 3841.46 2126.1 5155.64 650.89 2327.51 5268.77 1983.58 2408.99 5339.1 3116.22 12616.76 4405.34 5274.55 2577.04 2019.54 2614.31 5730.7 2590.21 967.79 4714.56 4407.52 516.78 2305.96 4240.87 4329.11 1148.68 4684.56 3126.19 1051.91 4347.81 2733.65 2899.24 677.13 1110.19 5199.74 4608.22 4870.99 8660.72 3589.21 3600.23 3390.96 3910.9 3353.74 3742.24 3348.45 3376.64 2724.21 Gly-His-Asp 353.24 1019.77 861.39 577.78 1869.19 1075.58 769.27 3463.42 3194.2 1250.07 1338.04 1500.56 645.08 474.29 4188.33 707.42 772.21 4515.38 2001.01 2655.64 3808.07 877.75 770.58 309.21 2474.14 4256.04 1365.8 541.6 1228.53 1486.15 2692.68 2807.67 785.01 421.25 1352.06 3721.35 3422.76 1566.12 1046.43 3360.57 8944.52 1659.42 1311.07 953.86 3718.7 1794.55 6865.51 1096.45 460.64 4164.22 1153.37 2080.56 1701.24 1964.43 1211.49 4476.17 345.86 1352.44 3811.17 1911.91 799.01 955.02 1629.46 2078.86 2528.65 2505.84 2863.05 664.42 4555.14 6448.18 7177.29 1630.64 4749.18 2648.58 1534.78 3204.77 3046.02 3081.01 2470.84 3072.29 3061.19 3200.31 3193.18 3206.95 Arg-Asn-Asn 2253.03 914.33 1383.29 589.68 2417.45 2433.44 2944.92 3903.19 4380.59 627.62 880.44 1356.93 1776.53 1104.39 5058.89 2064.25 2275.38 3352.74 3513.34 7295.69 2190.15 1715.01 940.2 1294.24 3026.39 5043.11 1333 1232.46 3245.05 1523.19 1034.75 621.6 1105.72 622.62 1215.84 2422.48 1327.39 1201.04 813.08 2312.63 2992.56 2644.08 1488.72 880.42 1999.99 4174.44 2962.05 1276.01 1230.36 1649.45 667.76 1776.94 959.43 2893.04 2227 773.52 837.52 679.61 2900.59 1382.96 1017.74 1339.66 2450.34 789.04 2460.75 516.83 2062.83 934.53 1682.85 5092.13 4390.98 1161.19 1242.29 4800.25 868.53 1809.91 1667.67 1677.01 1562.79 1658.5 1575.77 1818 1707.3 1794.32 2-Methyl-5,7,8-trimethoxyisoflavone 8365.26 9720.08 1221.2 877.9 9814.93 826.63 2766.48 20469.58 19014.73 3773.14 4611.37 10281.69 2359.14 2348.08 17873.57 11006.28 4313.71 17584.82 7471.57 15962.09 21470.41 3677.73 3020.3 3189.45 20449.59 20009.99 4333.11 4253.82 13257.11 9840.68 19381.49 12381.01 6608.35 525.81 1182.49 11061.2 25319.3 3135.85 1891.78 9827.61 31224.96 23314.01 4994.15 3209.74 16805.49 2749.18 24192.02 10902.17 1078.44 20898.43 6674.81 2961.82 2064.57 3891.77 7245.49 6119.22 1982.03 2182.71 14944.3 5755.04 2826.8 511.48 12895.2 4365.27 10445.48 13387.62 12780.43 3934.67 17630.69 24483.15 27281.97 10002.13 18028.96 3002.37 6948.6 12198.41 11798.54 12186.84 11946.41 12231.64 10460.62 12350.49 12055.94 11748.86 D-erythro-Sphingosine C-20 33696.51 44299.75 18358.28 22484.44 13944.57 27429.7 2038.24 1390.69 40788.17 38224.83 752.19 19328.4 937.57 17717.69 20794.32 18201 19199.72 18892.17 30329.38 27852.94 78486.93 19212.39 26702.11 11240.92 14987.13 35079.47 20532.87 21828.89 31203.02 21222.54 45556.76 3106.34 12464.45 16702.86 23794.37 19527.08 25023.33 17344.16 14298.85 14787.7 21468.04 46771.7 14166.59 17796.47 26133.4 17544.47 12560.1 24720.98 19929.69 44387.13 21596.12 30356.03 16617.94 26352.57 19936.86 23999.05 21595.6 18773.75 21206.91 44363.31 17378.91 39005.46 22460.77 4522.19 13387.06 10760.33 28628.83 12438.66 13539.49 39674.29 40481.84 15937.49 9160.76 11760.29 19044.41 38898.21 40111.54 40373.88 35273.85 40162.11 38773.73 38734.88 40146.43 38952.71 Tyr-Pro-Tyr 38431.62 25966.86 1252.3 3896.45 40944.91 782.99 5286.24 33878.26 38201.1 19629.65 5459.12 4365.82 2243.9 8556.2 42781.49 6697.29 8105.91 13404.46 4132.55 2211.73 54919.85 11947.58 2934.49 6607.24 41013.9 42432.23 8169.97 7887.16 18556.83 3784.58 18026.74 15046.97 22250.89 11195.18 2455.69 14741.58 36213.77 22342.25 7018.17 549.26 10999.74 26036.68 8046.95 7637.14 7823.39 15186.23 19070.75 13515.62 8169.65 9963.64 20542.06 41496.84 8052.43 6898.64 12414.72 25057.99 843.84 4067 36489.95 10014.49 1166.13 5302.6 21934.11 2535.91 3480.98 19085.24 49242.56 7560.78 5970.65 34497.79 27245.37 12326.34 2928.15 1822.26 5584.83 15713.62 16461.32 17270.34 17267.93 16331 16544.95 17029.09 17826.46 17248.93 Val-Pro-Ala 5283.16 10442.13 21526.51 24562.94 54071.65 21033.24 4695.14 7269.95 10485.72 7351.75 7575.17 3713.31 697.55 3343.01 16339.56 15334.15 6991.67 12372.08 5635.53 11245.29 3943.97 13224.81 2009.85 7741.54 18543.3 13137.15 11137.64 6666.27 9785.6 698.54 7182.98 5108.84 11047.67 5858.28 24371.2 7261.22 14393.46 4070.17 1687.86 53846.92 1813.08 1670.6 26636.59 1322.63 5454.45 6099.76 9852.76 2185.95 2917.71 1753.28 3130.95 10701.88 21847.25 42523.56 9368.83 3440.59 12182.37 23158.36 4405.84 17458.45 2432.76 1997.64 33176.19 35170.48 20053.65 8673.52 4625.96 1037.03 3074.5 14279.67 30714.66 2724.6 20914.86 35620.18 5608.43 9280.62 11231.04 9056.81 9681.16 12600.36 9376.1 10984.5 9052.43 9724.49 Tyr-Gly-Glu 22741.49 22900.12 7065.61 2780.6 26462.35 20932.18 14705.99 40399.05 42266.22 16830.37 7479.98 13565.24 9778.35 11448.35 17234.91 14788.16 5959.04 17600.27 14535.43 40007.39 30473.68 15523.64 8623.1 11512.46 26071.37 33248.32 11365.5 10721.89 24823.75 13849.74 33670.33 35098.9 23352.35 10524.78 4594 25534.6 42442.31 12455.9 11231.46 12107.02 17691.6 34961.99 6838.5 6477.4 26545.31 9331.88 19180.78 13004.59 12847.84 20541.38 14429.7 27880.47 6654.88 12375.66 19501.77 10035.98 1896.46 6992.49 21061.91 14269.64 11120.37 6005.82 21723.8 5283.08 9628.18 17176.22 28262.16 10637.62 13765.14 40346 12258.8 23210.28 7570.42 10732.78 5012.8 14858.17 15036.63 14934.65 16077.06 17881.73 15580.37 15964.13 14994.21 16039.66 1-[2-(4-Chlorophenyl)ethenyl]-3,5-dimethoxybenzene 6928.9 16400.21 12188.25 12899.19 17149.94 16848.18 18043.48 7242.27 11749.22 18057.45 4709.22 18141.22 21791.11 12442.36 21719.61 14151.27 14474.17 12789.85 29572.13 4669.64 3120.42 8228.02 10958.96 18601.38 17383.07 13031.54 19027.13 14208.19 17622.15 1162.3 1284.34 17790.99 14431.74 8392.81 12889.86 15456.28 6967.63 7673.14 8875.12 14557.78 677.88 8197.08 14145.52 8454.55 11255.58 4036.97 10696.73 22893.9 8077.56 15339.26 3555.06 12167.96 13001.15 12204.51 11883.44 21407.17 16814.43 17755.74 12196.93 16160.01 16416.05 20364.35 6182.92 8838.3 11962.71 18635.67 689.85 18305.32 10628.54 8045.74 4737.31 10051.68 6193.06 17759.24 6970.85 11158.3 11029.01 11012.12 11156.28 11164.18 11015.4 11004.4 11181.41 11400.45 NCGC00380642-01_C26H34O7_1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate 1743.89 1341.31 2202.61 1144.54 4968.09 1690.2 6275.13 1823.88 4218.3 1786.27 2800.8 2518.04 5055.41 3931.15 573.94 4522.84 824.78 665.98 788.95 3515.51 3856.06 586.03 868.58 2190.5 3746.83 3669.4 1192.04 3091.61 1549.13 1698.45 4930.93 1373.97 1876.7 1834.46 2643.68 3066.84 3079.66 1496.12 4226.6 2422.38 7184.36 8758.44 3544.59 1734.62 3351.42 5326.92 1420.59 1551.17 2677.17 3532.81 1116.07 1499.21 4243.6 3679.93 1228.37 3397.26 1185.96 2453.67 5085.82 695.3 1565.93 1289.73 2673.58 2064.95 1325.89 4240.37 3188.36 2894.42 3747.36 2957.73 3398.73 1554.47 3665.74 1788.47 2287.15 2384.33 2711.52 2541.86 2817.06 2526.07 3157.28 2712.22 2541.57 2404.04 Azobenzene 36145.33 20457.82 17010.31 17765.58 129698.67 42694.13 29314.55 47195.7 45780.62 41862.96 23697.61 54336.14 42067.72 31694.82 34418.45 58852.76 22633.14 48777.9 50011.14 39529.18 61075.21 27415.6 19458.64 22331.4 48181.41 41093.96 34487.72 19860.66 51903.49 45161.72 33542.04 119134.61 28489.82 29540.27 27141.24 39345.49 40131.03 24482.03 16363.08 15673.36 35287.57 67705.77 23116.9 18131.58 64138.28 34789.03 28812.68 24634.22 66947.77 61014.69 58099.63 35357.56 32578.27 31686.9 56126.48 27106.07 13657.77 13386.87 59588.34 33397.82 21864.93 25949.97 40264.21 29419.49 15533.57 58658.49 32341.66 26063.18 19369.62 38726.56 23914.18 32342.97 26292.65 21933.37 54755.07 40307.19 40411.68 40600.03 40299.59 40271.2 40300.89 40245.28 40272.75 40409.63 Etilamfetamine 16887.3 19787.71 18244.46 19035.73 20031.6 17073.36 27667.89 39153.96 17009.82 16484.9 31811.56 14402.54 12406.05 16760.26 15940.69 16033.83 15610.76 13710.8 13993.72 15383.07 22328.51 11824.34 12053.32 18054.32 16720.55 16326.75 17861.16 19046.65 16634.69 15953.1 16471.25 16102.55 11015.43 17700.64 19228.4 18413.6 15171.79 19479.48 16554.73 19688.47 16081.39 15969.64 15721.59 16283.1 14709.73 19197.88 16155.11 16156.71 16167.18 15449.29 15477.36 15040.58 17095.71 16339.25 25036.18 15922.29 16097.4 16409.14 15173.62 15693.99 15053.28 15910.67 15917.72 16231.52 16505.39 17047.17 17217.69 16759.19 16922.99 16037.6 16393.18 16801.47 17286.06 15794.78 16339 10274.26 29708.61 10536.25 10687.61 10303.87 10757.6 10844.48 10267.62 10744.44 10357.76 13228.05 10555.53 10189.72 10120.73 10202.27 12130.17 10158.26 10546.76 10607.65 10495.1 10075.15 11048.82 10591.93 10515.06 10454.3 16872.29 17279.94 16894.46 16892.98 16784.07 16627.54 16895.21 16853.56 16782.93 Tyr-Glu-Lys 2339.58 2083.46 1458.82 1317.14 1242.25 13912.16 4099.62 5759.34 2826.1 580.46 5820.37 542.12 507.13 941.55 949.02 628.79 1233.62 857.86 13356.37 6190.61 7865.78 891.71 1161.62 1814.76 2176.91 2332.22 858.64 7123.34 2465.25 1629.92 928.36 2387.42 419.46 4593.35 3931.97 7238.13 7041.1 6952.02 6176.53 2695.46 16119.76 9514.12 3984 3587.86 16034.53 8746.88 10456.03 6651.81 3362.14 9889.45 5409.44 7081.08 3815.02 7934.75 4000.34 6561 2442.36 2879.61 7946.3 6441.38 3858.01 2643.88 3398.6 4968.69 2973.76 9890.55 4906.87 6923.66 3184.19 6559.46 2555.52 4297.72 2797.97 5194.86 5278.37 9867.46 9332.82 9122.9 9523.76 9576.72 7885.1 8955.65 8377.66 9456.36 RCS-4-C4 homolog 5915.88 2560.71 512.81 2551.93 41059.56 11144.66 792.4 10985.33 8457.79 7387.44 12929.71 15363.31 8214.38 11272.24 4530.18 16367.71 4678.28 1447.27 16013.44 9829.13 9208.54 6204.53 1746.22 11410.89 10581.55 6142.54 10302.5 1716.21 621.01 1899.77 9103.22 7813.92 21701.49 13124.32 9632.86 6587.97 10188.21 5124.69 11273.15 5584.2 3789.5 16530.16 8600.98 8094.64 7880.33 4341.99 6046.75 12829.35 11804.1 17716.46 8891.38 8342.67 9717.05 6773.18 5932.46 3357.17 1648.93 1105.02 7975.95 6998.96 7760.01 794.29 7724.09 3689.16 2896.72 8671.59 10607.15 13035.44 10132.22 8503.85 10000.72 5842.28 11046.32 4476.36 8260.73 8810.09 8294.08 8358.32 8302.15 8284.09 8762.26 8098.57 8458.45 8272.3 Thr-Lys-Ala 2130.19 4643.62 2623.03 2194.24 2140.66 6174.02 4365.2 2839.42 2717.63 2789.57 959.42 2205.47 3194.58 2273.92 3805.09 2543.26 2388.98 4445.93 3186.99 4936.29 2474.35 3810.89 2026.99 1932.31 2802.35 4352.34 2441.87 1997.4 2498.36 3704.79 1916.28 1965.19 3013.28 3126.8 2609.96 1574.93 2648.07 4239.38 2493.68 1272.52 4275.55 2046.77 3151.08 2107.9 3036.88 2474.21 5139.63 2593.49 1748.65 3631.44 1758.44 3566.02 3319.73 3216.23 2105.59 5380.49 1847.18 1760.94 2524.04 3200.44 2498.7 2484.16 1848.67 2883.86 2043.58 2532.43 3043.43 3017.28 2570.88 2495.37 2508.87 3547.07 2300.07 2561.3 4302.49 2832.91 2822.16 2301.76 2900.84 2913.85 2885.18 2826.48 2828.19 2914.42 Thr-Glu-Thr 8082.57 6871.61 4411.45 5684.57 16867.35 16301.57 7909.11 7746.64 15633.98 8616.89 6255.09 6209.28 6439.15 7146.82 6990.49 1846.85 3970.34 12458.23 12554.1 23623.58 2386.55 7313.27 5777.43 1851.33 14909.07 4283.79 1013.65 2164.05 12235.77 634.16 15488.56 13571.69 6158.17 13900.33 5601.77 4950.98 10418.88 6725.63 2650.83 2796.76 5604.58 20349.15 9243.67 5633.75 9970.74 8998.13 8779.28 2642.92 4249.09 5497.16 16266.7 10085.29 7086.71 7627.39 11963.13 1081.33 4045.83 5384.72 8344.86 2933.23 1031.09 6233.19 8233.29 6177.81 4317.27 23685.8 9239.35 2316.13 3592.33 19389.5 8573.85 7780.66 3094.08 5437.71 8266.34 8470.78 8532.9 8465.97 8732.05 8906.27 8891.12 8366.68 9477.8 8961.5 Lys-Cys-Met 8553.83 16519.7 15170.78 16104.67 9934.52 10723.32 17303.47 1961.29 10502.35 12605.7 9779.7 7597.1 9638.74 15191.52 22810.44 23414.66 18935.14 22809.35 33445.71 47635.4 12418.93 9502.69 9098.63 13182.74 5513.65 13421.41 8440.75 7792.83 23282.16 4671.81 24709.18 54288.62 12077.13 13157.78 12457.12 8179.67 7514.85 7933.65 8460.15 11388.94 12993.56 14269.63 18117.93 12367.97 24651.79 19758.01 14362.95 18927.46 9052.11 26532.26 3825.45 8694.22 16066.15 19763.01 2729.38 16536.85 9553.35 6370.08 4866.6 7636.63 9634.47 13215.59 9062.15 22311.95 15296.21 4490.26 20009.88 3740.65 9891.9 8115.66 8781.49 10642.69 17376.03 23439.74 13944.65 11665.95 12933.96 11199.83 12033.83 11183.76 11682.43 10697.38 11689.09 11160.33 Gln-Phe-Lys 13115.22 27901.39 5279.24 54463.56 400071.91 166094.28 229529.88 42094.49 20512.74 65907.79 14002.15 47676.68 8922.98 48787.71 272994.74 12348.72 7130.52 77455.79 137290.88 53320.09 91950.69 157469.26 27339.96 83834.81 62304.45 17309.69 6478.84 11552.7 142864.25 51071.47 26848.39 82715.48 78539.75 8295.05 4506.94 99808.34 10496.39 13137.07 8421.06 5999.6 137752.45 52726.8 37154.83 7184.01 71604.38 9191.4 63266.26 90200.51 28598.95 46968.29 7646.2 60006.79 28054.97 4522.6 20124 233791.01 2314.44 19543.2 101171.68 9584.8 21945.34 14668.67 21707.16 30539.24 22264.96 8695.56 76467.63 10067.2 5039.97 50647.39 22932.43 53148.9 17785.69 23478.52 7156.31 20947.83 9464.96 22260.44 21099.76 19575.33 13837.49 17565.85 20161.27 12441.42 Leu-Cys-Arg 4148.32 2695.17 4152.67 5411.01 4357.05 4511.82 1046.34 3181.09 2142.05 705.35 2334.06 6374.06 9957.87 1812.52 2329.34 3863.09 362.5 5997.41 4090.92 8139.72 524.13 313.35 752.69 3121 681.42 1022.74 8661.86 2832.98 10714.28 2352.85 15514.39 7750.78 703.24 2025.1 3565.63 7684.2 1540.43 424.91 342.23 2993.37 16457.49 17155.55 5311.88 2510.05 16253.87 3659.11 9898.06 6402.74 4871.33 22069.15 2361.34 7783.9 4896.82 10126.52 4996.22 15143.21 2564.26 3443.88 1773.77 1626.39 1490.24 428.93 6491.82 3563.99 5178.51 11597.61 17716.31 3026.14 3048.64 2445.67 1461.84 2755.81 1041.61 9717.91 5865.48 6900.92 6939.33 7280.49 6782.25 6920.18 6643.26 6657.04 6694.42 6335.32 4-Quinolone-3-Carboxamide CB2 Ligand 11158.61 14521.08 8768.91 7354.48 13973.78 20768.6 2040.87 5297.52 3822.11 5143.79 4262.06 8008.28 9922.18 14462.99 5819.26 7617.22 8367.78 21241.76 13913.23 10038.49 8771.83 23093.26 6741.68 3984.42 7762.21 19147.81 4279.41 4616.15 7982.17 2391.84 9018.73 5615.96 5965.04 12433.6 4819.63 16778.81 4432.66 28826.05 6019.23 6192.66 1929.68 7195.43 1416.17 4924.09 11708.97 555.11 5069.39 2520.72 3502.67 7173.25 10918.04 14794.51 7779.16 13179.15 8847.85 17954.95 10282.7 8556.67 5553.07 12988.02 7790.44 8239.23 9714.74 6645.85 4086.93 14682.93 29414.63 7176.47 5455.74 5052.35 3975.07 3226.97 2035.52 7515.53 5541.65 8293.78 8864.77 8923.58 8860.76 8815.59 8717.48 8714.69 8713.14 8855.98 Nialamide 4411.3 2836.88 2502.03 4769.18 2608.63 658.48 5558.84 544.55 1701.76 5835.88 3594.35 2683.16 1312.08 3307.95 2544.14 3682.75 3439.41 2621.47 1696.37 2230.99 730.2 2128.69 2601.91 3979.74 3248.49 3356.2 3865.98 5963.09 2198.98 3345.76 1907.42 2756.71 2292.65 4952.15 3878.72 3562.47 3741.9 2602.23 3060.93 4685.1 1773.22 1387.09 5380.06 4972.42 622.21 3850.1 804.88 4042.37 1170.36 1637.38 3224.07 1311.04 4937.53 4146.93 2568.55 2576.2 5619.34 3493.78 3594.04 4076.15 3500.11 5143.48 1796.32 3442.05 4300.94 4109.02 3570.4 3090.52 2259.24 2959.34 4791.89 7097.14 3761.12 3966.82 2360.63 3432.36 3709.63 3730.95 3681.17 3308.48 3499.76 3313.28 3403.35 2261.15 Trp-Phe 20189.53 12649.8 434.16 3394.37 13620.21 9320.67 5308.76 21323.12 26010.94 8751.72 5904.12 4577.36 2421.19 5250.01 19686.92 9018.98 6137.49 17147.17 6388.3 27930.44 17174.38 3978.57 1848.64 4307.62 16796.5 756.5 6573.34 8735.14 22914.23 6243.12 20132.64 6044.6 14996.56 2169.99 4440.46 15437.85 22426.79 10337.27 4499.47 8452.95 12220.66 12564.38 4505.46 4368.61 15082.04 2638.3 28112.37 11929.2 4768.88 15129.09 8063.24 7669.01 3011.52 4419.32 12353.46 11276.51 636.76 2220.92 17341.02 1204.97 3420.87 754.05 9990.31 6983.02 12319.76 10322.06 19608 6786.88 12353.13 21546.55 27643.13 7703.69 14386.78 6247.52 5701.42 11914.25 11926.43 11973.79 11924.93 12402.62 11924.93 11924.71 12135.68 12024.66 Ser-Ala-Lys 157809.49 97053.23 84099.75 6771.75 140033.71 7596.58 55547.39 217557.75 132689.29 140315.3 4240.66 140708.82 89943.52 109887.85 167732.61 115602.36 39180.32 128554.21 209059.88 146565.94 176819.05 70249.16 89920.72 89549.84 183859.4 136615.97 96635.86 80108.54 209946.74 122379.99 150258.89 219525.2 109492.02 123782.65 82373.24 213941.08 190105.84 76420.57 66993.47 48193.68 45671.55 79603.56 114702.14 29077.59 204540.34 10759.2 92561.61 122920.95 206685 88323.58 222250.44 149610.93 53234.54 20328.15 163900.97 90810.89 13932.75 39769.7 155318.1 62485.94 78156.31 67097.63 140953.72 114476.19 84550.69 157700.35 103277.35 85489.77 90152.71 178535.42 93663.61 133302.57 127651.18 25261.16 65314.68 99058.92 80664.88 101580.37 94293.65 101614.82 102093.7 101473.75 101454.53 102663.81 Glu-Ser-Leu-Met-Lys 103036.78 1588.65 73500.06 33130.75 171433.55 94569.82 71423.42 79846.13 55306.38 51718.93 36748.35 55593.1 93475.71 34477.4 125988.64 130394.5 34042.13 2668.23 66407.52 75274.83 72851.49 56731.87 43937.5 41996.61 117934.85 77765.8 35947.16 1480.21 97454.98 102462.43 202778.44 133264.42 55340.77 70434.96 42702.03 66060.71 59587.44 40255.82 31892.35 17672.4 149614.03 77539.19 140028.54 11079.46 33735.78 65201.64 26866.5 19948.98 81054.76 236188.45 66413.43 28768.08 41737.81 79566.1 133585.79 185297.93 24154.56 10164.64 59868.91 105785.66 61767.82 37834.54 44745.84 38062.42 97927.95 60434.04 55805.71 41964.28 33703.6 128188.17 32750.54 63333.25 38088.2 58876.96 72429.44 83859.2 97834.2 79674.99 79763.01 80172.47 83513.92 81661.09 78196.75 83022.39 His-Pro-Asn 12699.43 4078.06 1193.23 778.99 3864.13 11626.24 13485.2 6112.77 13928.7 11121.85 9536.45 5509.17 18263.75 13353.67 10638.74 1788.34 752.02 3809.76 13481.96 14947.36 12443.91 8840.97 2381.37 12385.33 12524.8 13861.8 5364.46 14975.15 8999.63 11975.14 10217.9 1009.16 7584.21 17576.09 17122.58 6413.01 2215.44 3554.32 3839.23 2803.42 16624.73 2613.66 2626.91 9997.26 2535.38 10775.21 1479.98 7470.68 8499.05 6816.68 3647.33 12367.17 10738.22 11118.25 5141.97 8254.39 6318.45 6629.4 8580.21 3862.21 10514.32 4903.18 1932.24 2294.02 6551.11 6551.43 10336.25 11458.69 8167.11 8108.04 9601.05 8321.39 6951.39 6636.93 1975.88 8862.56 9835.9 9894.97 9300.87 9207.84 6084.76 9362.15 9733.61 9417.58 Thr-Gly-Lys 8266.25 3577.06 5360.65 1927.05 15469.93 16208.21 5116.39 26155.45 25781.33 23366.77 6003.99 48514.88 5181.67 3175.47 8083.12 12287.56 3772.9 13050.34 47602.7 14629.74 29116 5704.46 3750.35 7648.28 1744.11 3650.8 1842.71 2965.75 137958.92 4883.02 4072.46 59281.29 7788.19 18944.83 10023.04 29394.34 32294.45 11435.32 7720.05 6869.63 15489.28 44953.37 12854.04 10776.88 38121.33 15034.41 31079.87 24246.09 51760.77 32346.05 34251.22 19130.64 15781.88 10954.48 19835.52 29102.96 4134.9 7453.93 47719.89 13318.22 8687.2 13312.91 30683.31 19216.38 14165.1 30210.29 22543.35 12541.93 11434.54 38804.41 19652.14 18932.09 17981.86 11198.33 18539.5 21800.48 21867.28 22353.36 22394.72 22414.34 21839.7 22257.82 21261.15 22351.98 Arg-Gly-Leu 10275.19 5360.76 2279.44 2269.7 3942.81 4575.37 4413.62 28828.24 2004.08 6818.29 2846.41 31454.89 157140.52 13764.13 13911.73 8275.83 774.23 943.7 64618.86 731.4 22535.99 5769.94 19667.97 4858.46 22038.91 848.01 5892.65 2854.42 19335.84 7832.05 1242.73 889.58 1105.44 16794.72 6377.13 15255.34 17852.86 4567.27 19247.09 4653.6 9932.99 22151.46 16438.84 5826.56 5560.84 4021.53 10794.65 19804.29 21826.42 21648.8 34686.6 27799.52 84406.31 14761.39 7247.51 3755.76 85636.45 2483.85 9809.34 780.98 9602.82 96756.58 3344.92 10560.15 6380.01 17082.39 3776.03 16951.7 4138.56 25949.1 1477.96 9463.28 10171.42 1328.69 24615.68 19568.04 20242.26 20252.98 19339.75 19886.66 20263.7 20237.53 20364.03 17441.54 Gly-Met-Met 15059.6 90490.8 21253.44 4510.54 4612.87 15994.39 2572.55 10638.04 5176.72 24385.03 23797.06 16493.17 17550.19 19919.4 5294.17 19905.63 12792.83 9995.25 24990.26 9253.72 16062.94 14216.83 26556.05 26448.96 15942.07 1824.85 15755.35 29728.16 2838.69 29240.25 17858.23 25963.16 3782.17 32437.69 21598.27 12290.65 14162.59 14409.34 23304.67 18808.2 9597.12 11700.35 27753.85 19314.97 6809.74 8673.27 14055.2 22260.43 19774.7 23165.42 14103.7 106411.78 25455.03 12113.38 6131.03 23766.46 15032.56 19237.85 14558.83 4973.52 24783.35 85970.65 11606.52 27616.08 21042.11 8536.87 14834.48 21126.42 22844.62 10511.58 9666.5 51693.65 30793.98 23592.13 14042.9 15233.54 14883.76 15199.16 15240.92 14159.57 15249.13 14914.99 15248.2 15530.01 Biuret 5412.25 25215.65 2232.09 46572.08 15175.61 23763.9 8741.27 8203.05 40277.38 6759.88 9124.68 14483.92 67555.31 11922.61 15045.1 18580.25 4369.88 20807.67 113744.95 6863.46 37255.47 6080.89 1967.43 3134.39 22487.32 24102.95 36967.91 13344.17 11618.79 5493.33 2309.67 11173.49 8624.58 15862.04 32469.66 28911.04 17584.63 43780 9216.77 21562.02 11345.32 11808.15 62411.43 39975.97 24704.74 5124.21 7335.51 20729.37 9466 13893.04 3315.32 45329.61 3773.34 6095.94 9956.32 34606.12 3481.95 2982.77 9712.5 3240.26 2112.14 2428.8 14288.39 4471.57 4555.91 16084.14 48650.45 5476.76 48783.6 20115.64 43678.6 40917.36 5096.95 4539.74 10000.64 17040.53 16483.29 17037.98 17186.67 17066.35 16466.03 16424.57 16404.25 13997.5 carmabin A 1544.53 2100.41 1547.33 1275.68 25261.31 26104.59 19684.74 5402.87 4518.75 1293.1 883.45 4157.57 1884.43 1612.05 2370.77 3837.46 617.37 4620.92 10309.43 7187.83 5279.13 2212.13 1202.43 1531.74 6568.93 1130.28 2283.92 1147.56 8583.94 6257.4 2660.93 19853.49 4695.93 521.78 1173.49 401.18 1547.37 1803.35 636.42 629.66 10286.38 735.08 1279.94 1202.46 1843.07 3582.41 575.3 869.78 3402.21 1001.68 686.1 2870.58 1282.86 1535.51 1609.84 380.76 478.14 936.05 3277.92 1316.67 1084.86 1491.54 991.46 1168.09 1432.93 430.19 2311.02 883.53 2674.42 834.5 792.52 778.68 1666.74 2177.14 388.37 2123.53 2213.89 2405.99 1334.22 1832.45 2296.66 1782.23 2154.8 1978.75 Ala-Trp-Ala 3906.4 4709.37 10317.32 10533.15 12156.09 6513.64 17779.91 9827.52 7471.47 9965.43 5284.58 13389.8 17298.83 11660.47 8387.72 9442.19 5481.31 11792.71 17952.6 10864.39 4381.73 4688.88 9679.01 11624.33 13372.82 4746.12 10273.39 13445.11 5089.67 2441.46 4204.42 12913.99 997.85 12403.89 3945.7 10770.52 8310.45 4776.98 11536.55 10428.68 5793.21 3406.99 13652.71 5501.54 8182.92 14531.4 4276.25 8118.76 13887.67 9872.13 15769.85 6462.49 11378.89 18463.33 6011.29 5066.53 5402.22 6914.8 5564.79 6131.47 7480.61 8613.17 5717.7 13025.25 10123.6 9213.4 3177.32 7392.63 6855.02 11013.64 8431.34 4985.89 9340.55 14490.99 13099.12 10243.72 10237.36 10072.47 10184.87 10064.28 10158.58 10339.21 10059.66 10119.05 Leu-Val-Val 460.48 4861.68 977.48 1106.54 1427.3 5434.68 5306.45 723.76 719.35 3092.71 407.93 2353.28 2354.59 719.78 4456.11 2438.1 1325 6766.62 3613.82 6273.55 1375.92 1612.13 2225.22 2607.24 1714.5 1235.86 1897.48 1888.87 4359.94 3484.51 1499.41 3252.74 3757.12 3243.31 2691.92 1908.77 1206.58 2951.16 2264.8 1076.03 2348.38 1633.44 3110.93 989.3 1551.18 5187.59 5327.05 2799.24 1408.96 4800.01 1060.91 1139.8 2290.56 1142.18 2146.15 3521.74 5568.11 1334.94 3138.21 3531.11 1715.41 518.35 1396.83 2752.75 2145.93 2129.16 841.41 748.02 1879.01 1863.23 586.32 2732.79 581.17 2765.33 2783.14 2960.66 2711.07 2499.25 2720.4 2408.11 2721.24 2739.51 2362.08 2823.5 5-CHOLESTAN-3-OL-6-ONE 1210.87 11084.17 4940.49 5176.48 1947.21 3970.78 8503.35 2414.37 5791.88 6487.43 5701.08 2913.47 724.81 491.62 9387.91 1161.06 3277.84 2101.8 6960.35 2584.34 2426.25 19728.49 9371.23 1623.72 1997.41 3515.15 4619.6 579.22 1703.67 3459.51 1660.85 2517.19 1156.71 561.01 6925.37 1415.63 3638.36 9105.01 6672.45 4711 4202.92 5504.52 4005.1 3045.62 2840.85 5146.38 2323.96 11030.84 3809.16 3499.03 3507.52 3170.39 9685.17 3550.28 2922.33 4396.3 2077.14 4657.82 1600.92 10998.1 1977.46 3867.81 2479.55 4590.7 3437.86 3450.56 15043.35 2801.15 5110.93 3960.8 3628.11 8496.87 4619.58 5719.34 6797.18 4693.62 5297.18 4333.19 4575.35 4764.91 4603.54 4767.76 4609.54 4774.68 Fenproporex 21808.56 10725.7 5156.08 7531.96 238299.43 35544.5 27200.87 29012.21 30891.01 18575 10971.69 19224.14 26834.75 1053.32 9463.34 40528.58 12205.45 16628.55 21804.96 11819.07 29825.9 10614.64 9683.56 6626.89 25520.1 20493.85 19922.24 11357.76 38973.97 6843.2 18200.62 115345.11 13758.19 21415.86 16223.71 18562.08 14354.86 14199.18 2442.27 5377.96 8236.94 46322.21 7939.91 9005.51 31470.35 26211.85 11535.13 10663.25 53508.19 40455.09 31562.71 18760.73 13218.42 64860.67 28649.06 8812.47 4536.18 635.16 37813.7 18955.69 7893.08 17472.45 16100.62 8698.46 1865.7 69407.92 7224.28 12865.8 7809.57 8429.45 12259.25 22057.4 8932 10635.95 17706.44 22865.09 22449.67 22336.53 22335.62 22367.6 22334.11 22450.89 22333.91 22450.28 Gly-Ala-Asn-Val-Arg 12077.87 11224.08 1697.32 1570.91 15957.09 21113.49 12569.01 25535.48 14720.01 9127.24 5436.32 614.23 2216.28 3067.04 6900.48 8700.59 453.57 18212.77 8899.25 15766.43 11300.1 6889.69 481.77 7643.21 15645.44 17266.18 11012.58 9760.21 8292.44 4412.03 13647.09 4625.61 7116.93 12917.8 9253.08 7928.01 13931.52 15019.98 9003.06 4727.45 20576.62 17199.93 6356.06 6498.71 16647.78 12449.85 4756.37 4132.17 3444.24 8304.45 12580.93 9893.92 9296.79 9084.01 6404.71 11446.61 4583.36 7212.32 9445.44 9686.89 6303.86 9089.29 8244.23 9509.44 3676.26 13430.62 12932.23 6833.33 7228.02 11317.67 13169.05 13410.61 6768.19 9808.02 11252.01 10919.64 11239.28 10759.92 10752.92 10673.64 10966.95 10698.17 11302.68 11119 His-Glu-Glu 1874.86 1559.25 19807.21 1167.26 3892.6 1041.31 7542.77 6430.79 16285.91 6029.64 14047.08 3456.76 901.95 12058.03 13335.83 7396.56 7671.85 7203.57 3412.87 18984.58 2152.31 5340.35 857.73 26869.23 8938.17 14364.75 1079.91 8551.1 5409.14 944.78 1974.35 4907.66 6201.13 2738.98 7204.93 1511.8 10815.7 3058.14 10524.86 12918.13 1149.11 2160.06 11812.23 11372.72 4414.26 3006.39 7641.45 6711.46 5508.43 1983.27 11925.25 7898.79 17263.61 5297.47 9322.52 2108.12 5508.33 12926.76 2508.06 1295.36 14500.82 11614.37 18067.61 16486.99 6657.8 1703.98 7156.63 5310.01 8299.73 16476.16 7905.22 2102.34 11461.76 12230.88 7622.35 2866.46 5997.7 6654.27 5989.51 6059.56 6540.67 6230.62 6099.14 5772.82 PE-NMe2(18:1(9Z)/18:1(9Z)) 96997.07 152248.75 112695.18 128431.55 170907.75 255884.18 69142.47 84845.32 92688.95 94306.99 65282.71 112470.53 166283.37 172432.44 124462.29 143497.56 117833.77 202958.56 151723.63 153898.34 149842.42 118381.01 131345.27 45669.1 66824.49 169169.37 59785.14 75063.51 141494.11 123639.13 213073.05 268117.65 140417.2 162420.29 96942.89 134854.59 110089.34 174778.81 106881.2 97022.03 259007.34 252747.92 118615.19 103408.95 176663.05 122787.42 174014.47 168791.92 156155.42 346190.13 174736.87 207877.09 123145.87 173675.86 101264.82 172948.39 108580.29 95535.69 98405.68 94819.19 90811.33 76289.83 123864.35 102870.72 84066.18 170039.59 226524.15 115135.79 93684.44 84047.24 147843.95 99275.14 107711.56 190193.23 173207.74 21912.82 21876.48 22331.09 21683.38 18762.51 22625.46 25069.92 23593.18 20930.59 25604.82 22010.79 26751.45 27329.89 25496.79 33247.06 21243.48 25390.6 28483.42 25408.98 21366.21 21967.9 23983.23 20383.32 15386.22 19903.6 166249.23 177683.81 181888.15 174209.95 173929.87 175166.02 177535.62 174600.85 173838.65 1-Aminocyclohexanecarboxylic acid 1858.73 1373.74 636.51 1021.43 2631.78 3146.91 1675.99 2962.27 4624.93 2778.49 706.89 759.68 1473.78 1269.39 4532.09 873.61 680.17 2273.98 2171.74 2431.11 3897.43 782.85 910.57 1372.43 4152.92 1368.78 642.23 1548.03 8290.67 1132.19 3710.48 2971.57 2963.56 2577.3 1559.33 2662.83 2125.26 1262.26 2206.76 923.21 2817.54 5336.82 1551.67 1621.55 2202.33 1264.39 1364.71 2860.55 1489.38 2285.3 3606.56 2031.89 1676.8 2825.68 2922.49 2226.31 986.06 625.75 2638.16 865.83 1131.04 1411.51 2516.01 1337.74 1439.02 5930.81 4585.26 1448.3 1602.35 6150.25 3480.47 1806.07 1180.83 1255.88 2173.16 2216.94 2270.24 2194.27 2470.11 2310.82 2273.18 2078.36 2272.21 2199.33 Formetanate 2732.34 8594.4 7540.7 7956.43 9785.98 11095.2 23453.45 1139.96 6847.02 8257.44 5281.37 5076.68 5758.95 6565.31 7161.62 7500.35 6552.75 6428.89 6017.28 7198.02 6236.01 3831.29 3561.04 7251.42 8211.81 7470.55 7876.66 7461.99 6519.79 8435.23 5714.47 9798.05 5155.01 9229.89 7656.36 6490.11 7446.23 5921.1 5576.61 5989.64 8757.37 7282.24 7306.5 5987.08 7704.76 6414.12 8417.45 7134.49 7568.98 5937.32 6018.21 5112.27 5576.46 6824.47 2653.01 6116.05 6464.79 3891.13 6731.47 7240.78 5652.59 6783.99 5763.43 6692.8 6011.36 5965.21 5617.02 5811 6332.88 5981.55 6281.19 5510.01 6506.43 6218.38 7892.54 13432.03 13271.72 13433.45 13326.37 13325.68 13140.97 13431.78 13774.92 13550.38 Pentylbenzene 2279.79 3088 1524.61 2762.39 3975.06 6244.54 2513.67 2675.98 2805.17 2372.17 2104.5 330.08 5427.88 9903.63 3561.82 8560.44 2043.17 4458.48 4687.22 959.15 634.5 1125 821.96 3242.98 2707.75 2607.69 1541.54 2192.65 2078.59 1273.6 1425.74 8393.35 874.73 1618.12 2733.35 3342.44 1802 1514.16 1325.37 1914.02 3645.25 4830.06 3406.13 4857.91 6814.66 4296.79 2979.18 2343.96 2640.81 4471.19 2588.92 3179.26 3413.37 4137.49 4234.74 4977.21 2341.05 5266.62 2745.25 2556.25 3464.33 2323.49 3168.95 2820.7 1820.76 5657.6 2248.35 1985.24 2963.1 2283.01 1333.44 2350.08 2868.74 3164.8 5186.67 4203.38 4420.55 4133.88 4092.1 4209.57 5158.08 4418.49 4246.11 4417.72 Curacin D 151.37 46.91 163.95 5065.84 59953.65 76945.17 35126.36 894.59 1439.6 120.19 407.57 871.73 2760.65 774.45 62.86 1647.46 614.45 74.81 229.17 52.19 150.1 132.94 50.04 139.44 258.26 590.07 635.78 188.19 258.32 122.67 125.19 2147.36 135.63 98.27 175.7 1290.51 1052.75 848.45 184.61 94.02 12360.25 1963.41 180.36 58.7 134.19 1927.62 81.53 2177.45 83.93 85.57 624.17 1016.41 88.08 327.87 991.44 50.67 1748.08 70.1 443.42 2106.86 125.77 724.33 88.56 1227.29 650.91 258.88 84.62 862.18 163.54 504.59 53.23 60.41 404.18 52.66 971.44 4555.87 4696.86 4570.12 4556.84 4563.11 4422.2 4610.33 4555.12 4626.93 Pro-Leu-Thr 1356.91 2952.35 4271.62 2164.5 6597.48 2681.3 2127.52 9162.63 9212.84 5426.64 3008.56 2093.57 542.89 717.72 16185.21 715.17 2727.09 1573.12 4772.24 5056.93 1374.23 3228.98 1073.83 717.54 12206.59 5378.36 3141.09 2132.83 1481.09 1396.12 1671.92 3016.83 3557.99 966.08 3388.71 1843.79 1857.07 1142.11 1671.98 13072.27 1786.45 1700.07 7969.27 1268.91 2408.17 664.21 1808.24 1040.06 2164.69 2593.73 2298.57 1911.17 2509.56 2524.07 3222.32 985.01 1625.45 7853.67 3922.16 3952.53 1882.8 1481.12 7645.2 10570 20061.14 2923.37 1053.58 1710.04 1615.86 6275.09 12935.79 2146.21 2011.79 22426.33 2171.64 2500.96 2192.95 2124.25 2270.34 2093.9 2293.12 2279.72 1921.39 2132.64 N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide 623.48 4544.57 3747.34 964.4 674.15 7666.22 5949.68 3573.34 3068.33 3060.63 4333.98 2799.56 8322.23 5819.61 3330.56 1304.11 9275.47 1477.25 6238.73 4704.74 479.61 5257.02 5105.53 4211.82 979.7 710.4 3793.21 3677.8 1823.92 4704.78 763.11 17441.48 3717.24 5056.98 3481.13 3236.69 1006.65 2424.66 3401.56 5189.04 1030.72 7945.43 5474.45 5252.07 3302.13 13085.5 3112.87 5666.46 3420.75 9198.85 3972.45 3605.64 4467.73 15888.09 4345.15 8044.51 5554.85 4758.27 1592.07 2302.81 4944.15 2060.19 5364.66 5216.25 4838.16 3047.01 3117.96 4746.16 5799.63 1357.4 2108.39 3351.41 7362.66 12566.17 10621.05 4746.77 4236.66 4040.09 3537.08 3373.45 3068.92 3018.02 3170.77 2670.89 594.21 3082.75 3394.17 3242.62 534.97 3315.52 3567.93 3072.59 3491.75 2502.05 2850.47 2809.44 1340.23 4384.24 4182.85 4250.67 4370.04 4178.85 4181.88 4371.46 4847.96 3026.19 Gly-Thr-Lys 170979 95724.23 40314.58 22649.27 220878.97 445822.81 40096.6 363106.81 158967.78 187049.36 150399.73 148568.22 100226.31 175191.14 316623.76 174166.22 39486.77 615422.26 480568.03 229789.52 292783.2 288524.86 137745.82 92509.8 255539.54 159803.05 36228.3 89755.25 407076.96 193308.54 194843.5 732955.2 353812.52 158859.08 64513.68 348574.75 297411.27 152468.17 74892.33 40147.37 163832.27 464870.47 156244.93 167554.95 350390.83 111797.66 235372.65 171550.45 348183.98 346611.24 292323.32 286771.54 218722.35 60038.61 183956.57 224322.69 24613.26 54783.16 434123.29 47136.32 73272.04 72886.82 232992.25 171223.05 112367.45 170249.84 119561.31 81378.47 65438.94 294404.24 111391.09 178004.53 211978.98 66346.86 63635.05 224307.43 224332.93 223869.89 221353.87 224314.34 223108.12 223118.63 223555.24 223126.33 Trp-Pro-Lys 1662.6 12435.84 2217.73 6337.57 3956.44 1124.66 4650.01 2014.05 5330.52 5041.94 3383.22 4017.97 1726.07 1434.37 10062.43 1078.68 1897.49 4047.05 4859.5 5940.29 5689.28 914 2440.74 4166.72 8867.06 1836.11 7994.85 5381.33 5740.96 1162.44 2460.42 2445.9 1009.23 6774.36 3597.15 4982.65 8222.35 3752.33 6382.93 3563.06 5808.15 7560.15 7608.16 1494.36 1507.73 3533.97 1141.9 4659.65 7078.83 2194.3 3307.79 5034.54 2645.69 3423.61 8218.46 2909.18 5268.85 1047.45 7036.3 969.12 5331.91 3698.52 1400.16 7374.8 3155.73 3189.12 5780.75 3853.93 3820.71 7405.97 8490.79 7909.92 4830.05 4358.6 6159.71 16918.56 14594.36 18255.76 16352.67 17540.06 16408.88 16630.13 17291.35 16641.8 16573.95 14813.67 16584.71 17685.28 16830.98 16535.13 12727.82 18420.18 17480.78 17564.15 17102.75 16796.74 16371.79 17417.92 18011.53 16782.93 5311.04 5291.91 5025.63 5253.67 4933.9 5302.58 3254.09 5026.16 5127.9 Bupirimate 18701.65 11254.45 2420.55 3142.85 16941.67 19695.07 8249.16 19349.04 13136.43 11757.85 7887.19 8565.98 5887.18 7314.49 10866.16 6008.31 1936.83 7363.95 10320.76 6700.79 6251.1 9508.8 5435.68 5599.26 17020.73 16928.44 9824.97 9759.17 12512.23 6371.8 7691.29 11989.99 7269.51 2422.98 8626.13 21441.64 10393.44 5930.41 6114.77 5592.97 4071.27 23861.54 6297.57 4971.51 9292.73 8941.63 15816.75 10457.61 11903.59 9394.9 17027.5 7867.13 3418.45 5935.24 10964.64 7625.25 407.47 1353.17 10798.67 4194.16 3244.47 7465.7 6164.24 4348.11 2128.88 11815.91 6268.62 6736.27 6618.46 11308.76 12044.33 8671.62 5543.67 6066.24 7480.29 12027.83 11220.05 11037.82 11168.84 11564.57 10460.7 11079.05 11675.09 11589.62 1-Benzylpiperazine 2686.46 6709.47 1049.3 2269.93 10331.71 2065.43 1840.83 4612.03 2867.44 744.67 1203.83 509.08 3315.43 2654.71 3260.87 1654.11 2003.14 812.96 9175.02 1699.28 845.77 3292.4 533.07 6119.85 3045.41 3258.92 1679.54 1528.71 899.14 2129.41 1107.5 2006.61 1957.03 720.26 1055.8 2403.37 3716.53 1438.94 1254.82 1124.46 1667.74 4286.63 1046.42 10421.16 803.44 2019.57 3203.34 2263.9 1064.76 5303.08 3712.61 2520.29 1977.7 1464.13 577.52 1967.16 940.37 978.08 2902.58 4255.24 6626.37 2247.18 1325.79 1903.78 1957.58 2039.31 535.33 2637.62 6345.78 3264.1 3718.19 2944.53 504.88 8216.75 4487.12 2340.68 1896.57 2023.16 1888.1 2207.1 2561.58 1905.32 3233.28 2314.47 Glu-Ser-Gln-Arg-Gln 10380.51 4113.49 12813.08 658.29 2984.99 17779.98 10140.54 3166.23 40423.36 16760.34 9576.99 14490.29 19973.12 12441.29 11599.77 36853.29 12903.56 18981.28 1626.72 20806.21 898.33 22104.51 564.47 19179.27 13011.92 103700.14 10918.26 13127.78 25279.35 13004.58 13747.76 23951.86 8661.56 1423.05 6489.89 4604.73 11558.82 7690.6 1182.23 10352.66 15583.04 2721.27 35521.23 9941.41 25601.3 8370.98 80510.39 51656.47 7536.66 26517.17 722.43 43898.18 11022.26 4819.29 2665.32 39704.37 3085.14 4254.5 22032.43 10081.44 15317 2220.39 921.61 46229.22 37905.37 1244.98 1799.16 16879.01 21202.48 13736.99 2078.15 12222.07 2154.41 14018.37 7531.84 1650.12 2977.89 2685.17 3811.58 2143.49 2644.55 2096.47 2574.01 2743.93 1863.43 2891.87 2717.77 1916.68 2377.32 2303.56 1620.88 1277.24 986.96 3324.82 2329.75 1127.11 2174.67 1449.16 2174.59 1823.96 11663.61 12130.13 7867.78 11675.41 11641.79 12408.53 12343.5 12265.92 12246.3 Val-Ala-Glu 4775.68 5325.36 6653.46 7809.62 1292.86 6199.63 8805.36 6597.64 6778.74 6787.82 6584.73 8256.4 11803.12 8048.29 2871.77 11852.21 7533.69 5382.82 11515.49 8882.95 7651.33 2814.06 7184.34 6732.92 7102.93 6321.2 6111.37 5093.21 3874.85 1870.02 2610.12 15596.21 2843.62 9552.67 5967.46 3662.9 3788.37 5010.17 7397.45 7025.26 5816.66 8770.75 8948.88 6485.18 5423.44 8859.46 5255.43 9712.17 10374.64 15330.9 4653.25 4913.38 11161.67 8381.95 5936.28 2544.08 4035.17 3390.64 4741.31 3039.44 6901.09 7349.86 2852.89 8296.27 6027.27 5003.29 4899.55 7984.86 6951.02 3004.12 4262.75 5745.65 8121.1 7421.53 9089.9 7583.94 7532.09 7817.91 7430.19 7588.79 7413.68 6958 7428.79 7492.87 Trp-Leu-Arg 6177.67 5648.11 6814.26 719.73 5996.83 1665.21 2148.3 2221.03 3818.47 1847.67 5203.1 10448.26 20932.04 13110.17 3021.44 6167.07 1197.44 3046.67 6744.04 3642.48 5766.88 1951.51 7894.01 7222.93 8072.15 1483.13 7578.34 8080.51 6406.98 12502.24 1563.99 7372.99 1187.97 16629.65 5027.89 5151.04 7207.63 11867.63 7510.17 4414.12 5715.91 5110.94 6118.14 5466.03 1741.31 9616.91 3889.72 4892.44 12135.09 7844.67 9177.9 3574.63 8998.5 10316.78 7817.83 1452.24 13578.92 7591.24 2837.26 7433.64 5817.2 10350.93 5250.58 7118.74 1599.59 7845.08 533.43 5705.77 10131.15 6348.85 1967.16 7180.57 7678.35 5903.84 10519 7476.38 7088.68 7170.96 7129.05 7365.85 7348.59 7171.69 7348.8 7274.98 Met-Ser-Lys 5594.9 5841.96 4219 1456.23 11389.96 20340.13 6992.29 5351.76 13791.5 7667.13 2382.96 5726.07 5256.16 4809.38 11485.3 6130.98 3160.57 8486.75 12794.82 22204.57 6657.92 3012.96 1451.35 2646.23 6090.7 10813.67 7497.19 2911.27 13341.58 2731.18 7319.73 7218.29 5627.79 5646.52 5216.83 9576 8575.28 10320.36 7223.72 3464.65 12998 16305.62 6454.96 1797.42 13713.79 5942.77 11921.03 6106.94 5493.26 8747.18 9782.74 8088.1 787.8 5445.17 6457.31 5664.83 1445.16 1950.76 6100.03 8731.07 2469.72 3897.03 4919.79 5457.87 810.7 10437.14 16318.17 3170.74 4339.57 6512.97 10629.75 5234.37 2836.08 6121.32 6226.39 9077.27 9343.39 8865.81 9128.44 9199.16 8288.83 8752.22 9074.82 8732.76 Gln-Cys-Gln 1300.45 1715.16 2547.31 1768.15 1421.13 9991.34 5877.6 6148.08 4727.49 5131.87 4063.65 2752.91 673.94 1196.74 6544.05 1425.7 3226.56 1546.84 4023 5704.75 1957.64 3960.3 5425.32 3673.2 3391.39 11549.53 1447.79 3748.07 2266.1 1791.99 6295.73 12029.63 4409.87 4802.41 4879.95 6809.85 8356.64 4167.85 4702.5 2139.19 5264.51 8479.81 5399.64 4675.96 7567.91 4360.45 4189.36 4381.99 1250.52 2724.36 6690.99 4941.54 1566.37 3321.46 5645.29 4468.02 1565 2556.32 4530.01 3066.9 6356.59 1677.61 6506.32 1349.16 3969.42 5054.18 7626.14 2095.48 4461.72 6427.77 3713.76 2225.49 6996.71 4927.74 3297.23 6801.51 6800.58 6798.87 6515.32 6173.54 6828.02 6524.44 5909.54 6805.23 Fenethylline 6709.66 26553.75 3134.1 1392.71 9961.21 22159.91 5616.97 7701.02 6297.47 4849.16 2318.23 938.79 3452.04 2492.39 12312.48 2820.73 1972.43 8641.36 5362.24 4847.52 6715.46 3988.74 1845.26 757.9 7275.33 11787.45 3390.86 2756.8 9768.47 633.16 7391.13 14819.57 5401.79 5211.36 4043.38 3353.55 7619.54 10464.84 3374.49 2989 1710.32 5331.16 5646.25 3684.28 7368.11 6311.26 7961.06 3716.97 1514.49 11263.33 3563.76 8880.56 5519.64 8879.84 5911.34 10884.82 3570.38 4218.37 5624.06 1745.14 3373.73 2239.21 4937.82 5721.2 3144.16 7854.88 16833.79 2516.14 850.08 3183.69 8724.34 5508.27 3412.26 5932.06 6008.02 6584.77 6566.15 5721.46 6560.98 6747.26 6730.3 6559.69 6698.87 6780.42 Ile-Phe-Thr 10853.95 9708.55 7156.76 4069.58 2742.22 15755.42 7688.42 5275.4 9254.69 4521.09 5755.51 6169.35 4485.82 2854.75 10269.81 3145.53 8454.12 3216.82 4027.88 8361.22 14941.66 15093.79 6058.59 7768.43 1087.24 3362.1 2440.51 4503.66 16839.96 3690.43 3180.84 2343.45 11062.69 2969.12 7519.72 1168.08 2480.41 13520.05 6888.53 7213.18 7278.49 3215.52 6977.51 1779.6 3822.41 5806.68 14993.72 5706 4093.65 5943.58 3769.42 13381.44 3657.64 5946.46 8735.67 11262.06 8540.74 4031.68 10107.99 11224.72 4411.05 1245.48 10969.05 9713.81 4209.13 14679.75 20235.55 3911.3 3695.72 5574.04 13027.87 5613.47 8398.32 8615.96 9799.45 7146.32 7186.92 7899.56 7206.06 6913.82 7473.24 8134.08 7177.48 7486.94 Asn-Cys-Met 2708.92 2405 838.48 1185.87 337.33 1681.88 1616.38 5499.87 4357.35 732.55 608.88 2403.27 1609.49 2215.16 5291.23 2386.71 1371.69 5585.32 2826.02 5226.6 4890.6 1224.05 1350.42 862.46 6425.06 4884.33 1847.34 518.76 4418.03 3915.59 5406.81 3254.37 2823.91 1863.57 1542.46 4665.9 5308.13 509.57 513.46 3897.39 9265.32 3500.63 1087.63 1723.25 5605.33 1989.88 7845.64 2202.63 515.48 5582.15 3148.54 1612.46 618.32 2108.23 2635.36 2380.37 468.22 518.73 4436.1 1273.18 1804.69 980.05 2346.13 2040.32 3908.08 4348.81 2011.57 850.4 5966.36 7509.57 8282.18 2146.02 5960.58 1699.44 3451.71 3726.9 3265.53 3661.37 3388.79 4082.35 3654.56 3600.17 3736.12 3746.42 Tyr-Ser-Lys-Glu-Ala 4234.11 1867.48 6834.38 1676.71 5239.55 10168.87 3458.05 1690.81 6690.73 1728.1 454.54 2963.2 7327.92 652.23 680.35 4429.36 3768.78 699.81 6280.47 6506.85 4827.58 4331.95 2792.42 2744.15 5558.97 4296.57 2890 4324.1 6090.16 2301.21 5526.24 872.28 2517.96 2949.39 2274.84 6366.51 8507.39 2036.73 1704.17 2226.67 10407.29 5075.59 4349.88 3445.09 4973.81 2387.56 4871.11 3325.79 1922.38 5530.6 5070.34 6828.84 6406.55 5184.48 4028.04 3979.66 2789.61 3322.55 2402.98 5789.7 3717.71 2704.33 3329.47 6609.24 2723.57 7171.16 5251.86 2540.62 3286.22 2922.46 5528.84 3409.67 2958.73 3850.24 4055.2 4201.17 4908.34 4413.6 4198.96 4176.02 4176.45 4406.13 4399.87 4168.15 Thr-Ile-Lys 1718.11 937 2456.58 1307.41 3072.87 5885.87 12781.01 3254.94 867.53 1710.58 2454.66 693.03 1187.88 658.33 873.84 2290.78 1351.28 2828.35 910.8 498.51 1443.9 355.15 524.68 1197.75 1416.54 2488.23 3077.46 2027.64 740.96 2220.21 2347.42 2234.17 3020.99 995.7 1324.35 1960.61 1809.35 2430.2 555.76 1034.97 4832.02 1261.48 2731.69 1054.58 2314.22 2828.93 2099.75 3453.52 1229.5 744.5 1906.24 1630.99 887.23 663.15 2041.49 817.87 574.23 1260.18 2209.08 1286.98 1431.21 887.65 2779.88 1821.13 2662.17 1945.96 2074.46 732.82 2270.2 2118.53 1322.37 3026.68 642.19 1342.17 2280.02 3083.73 2783.14 2414.18 2569.82 2841.6 2578.33 2902.48 2842.93 2860.47 Glu-Arg-Glu 5139.69 1210.02 1609.45 2829.99 6020.54 10476.98 5601.59 7296.44 10998.76 5268.09 3562.27 4602.45 3172.3 4123.03 6962.54 5272.49 2512.03 5579.54 3609.12 4932.55 6785.58 3369.65 2029.8 3028.61 8168.42 6747.38 4399.85 2680.4 8522.97 2825.04 4821.86 2512.93 4720.48 5040.65 3470.08 6111.91 6882.34 7114 4998.26 4781.87 6847.42 10620.27 5716.8 1666.72 6634.95 4433.26 9563.54 4643.09 2279.08 5941.78 4563.07 5523.72 2712.37 5047.03 5803.75 8075.7 1046.56 3497.72 6471.66 5825.91 2350.23 2855 7773.96 5049.86 3404.13 7848.65 8909.62 3580.3 4426.41 10058.94 6716.54 7088.15 3002.05 4341.72 4597.7 5482.04 5379.23 5478.36 5482.22 5320.47 5474.79 5379.4 5226.95 5550.56 Lys-Tyr-Tyr 2987.13 2686.72 2834.18 3029.57 1385.48 3427.86 2398.66 4447.3 3048.14 2975.46 3731.68 4148.15 3216.08 3082.84 4018.28 2839.8 3496.35 4164.19 3422.13 3239.22 4129.07 670.12 3072.19 1704.34 2558.81 3732.43 1694.31 3159.08 3582.07 2333.08 1949.62 2944.8 3719.12 1768.48 2532.74 2101.67 1562.79 3755.7 1496.85 3211.31 3995.03 4149.38 3319.17 2822.37 3119.68 861.54 2831.24 3379.23 703.56 2252.21 2011.3 2286.18 2067.45 1957.32 3703.87 3757.79 2966.78 2939.22 3688.83 3321.24 3450.46 3058.98 3951 2759.48 3596.06 4469.63 3824.91 3528.27 3876.32 3397.6 3998.8 3177.45 2580.77 2838.85 1778.68 2901.61 2799.44 2905.83 2879.41 2963.75 3224.94 2677.85 2969.78 2964.3 2-Methoxycinnamic acid 8578.16 13675.92 11105.21 4666.47 4529.29 2168.72 5522.14 5826.83 15589.14 9754.24 12854.21 4653.5 2895.37 8330.89 10309.91 14498.07 22304.04 7277.19 5329.48 3422.15 5423.85 6746.81 6776.38 8152.6 8353.02 17429.49 14554.57 4566 6814.07 545.25 3032.23 5656.57 5668.24 5604.37 8287.59 6529.07 14346.89 10341.12 5884.87 18426.86 4577.39 5698.1 9410.48 7396.17 7260.16 5555.94 5903.41 9972.37 3788.5 8399.25 6767.77 13675.26 8129.62 12298.32 10378.95 13741.98 14654.91 10131.59 7500.79 5929.51 6319.51 6161.87 15072.36 18321.54 9208.66 12518.79 10467.33 10252.54 9260.71 10010.76 11765.71 14544.14 10514.51 14074.44 13915.69 9211.2 8991.49 9080.24 8971.35 9082.4 9052.02 8961.82 8905.62 9085.56 4'-Methyl-alpha-pyrrolidinopropiophenone hydrochloride 2737.24 2217.44 3564.56 4873.73 5204.74 1168.58 4762.14 4766.69 9826.06 2948.17 1643.71 3652.43 10058.01 4709.32 4148.54 2553.99 900.55 4167.17 2180.99 676.44 787.47 480.72 2996.58 2904 3036.23 4881.61 2101.79 1246.08 6743.21 515.18 858.2 2024.67 3034.07 3095.8 3657.62 3145.9 1964.33 2238.12 1206.6 5082.98 1500.01 3000.22 3610.36 2735.63 2471.25 2946.93 818.55 1226.7 2632.81 2396.21 3213.54 2894 3480.23 5554.95 4825.05 3269.91 3818.42 3047.78 2497.39 2650.57 2201.91 4472.52 5367.57 3064.44 4659.49 4287.36 1685.54 2399.02 2227.01 2935.18 5091.16 529.75 2093 5835.35 3569.9 3524.66 3580.55 3908.89 3432.08 3562.48 3616 3639.4 3616.64 3695.77 Leu-Thr 30162.68 43706.37 29600.69 30196.76 38150.03 70495.5 40308.7 34307.77 29368.63 35684.51 24456.13 28534.47 29590.43 24439.79 36575.45 29011.81 23022.06 24783.8 25927.82 5791.25 28822.64 37684.9 30708.04 28491.46 38194.77 42343.83 31462.54 28091.45 33368.49 1285.89 23040.94 28304.16 24971.16 43623.84 29803.16 33356.95 33958.54 44370.63 31712.19 23985 11950.25 45644.81 34724.57 24217.71 24555.43 22073.21 27942.09 24644.52 18794.01 29856.33 29359.03 46543.69 35373.97 35244.48 29448.98 42724.53 23217.94 20340.96 27576.51 32730.23 22859.45 29112.89 33502.18 30282.54 26294.88 41208.27 19444.47 26029.12 23846.75 31349.99 29243.37 35000.95 22980.51 28520.82 33170.12 30134.17 30052.85 29265.51 30059.69 30052.05 29813.76 29673.24 30227.9 29223.59 Gly-Tyr-His 988.46 2033.75 1660.94 492.55 444.92 2540.7 1493.63 7411.27 4421.5 14405.04 767.63 6363.49 1580.21 1740.03 2728.12 511.86 2003.05 2472.56 1070.05 3929.41 4299.55 558.8 1956.24 3097.03 7506.03 1441.88 2325.3 1912.43 9106.38 1634.66 18794.46 3524.26 2563.51 440.66 1940.38 5071.93 4397.34 1788.79 7822.9 3659.16 894.26 2276.33 618.65 477 8096.53 1525.59 2638.57 529.84 1905.64 3033.58 2512.48 525.26 2032.19 1923.56 1040.5 2563.04 1757.85 2129.24 3474.25 2072.72 1658.15 2487.04 2204.01 2365.88 1835.96 1561.01 5977.72 3223.59 2032.08 943.51 6692.85 10378.79 2799.04 3400.63 461.33 2515.56 2242.61 1454.03 2625.47 2533.53 2381.18 2528.72 2297.1 2625.15 Myristoylcarnitine 3212.1 1448.6 1289.88 2343.55 1660.8 2718.55 1174.35 2141.16 1808.97 1641.79 814.58 1081.97 388.75 938.58 367.21 857.14 8255.92 580.72 833.8 534.82 597.78 1692.52 508.87 8426.46 10005.03 1182.55 309.75 1989.84 451.18 1691.92 551.72 2127.52 334.03 1638.59 1171.29 579.23 2230.86 1768.19 1418.16 4373.31 2094.96 1848.6 3392.64 2151.78 1541.76 494.53 728.74 1007.55 3629.44 3354.9 1577.95 826.59 1729.44 1048.68 573.95 544.4 2265.43 2558.43 1804.29 1334.91 3358.65 1445.75 1831.27 1543.87 1489.49 1569.85 702.54 608.86 1637.65 2485.77 1714.64 729.43 1617.47 1676.8 2464.01 2918.49 2659.1 2769.67 2826.6 2795.94 2660.96 2721.69 2343.44 2640.45 Met-His-Lys 6412.02 5643.14 3760.64 3948.5 10916.84 7227.51 643.8 7983.43 6137.47 3169.95 1833.83 6213.49 3088.77 11919.25 8247.7 4686.43 4244.19 8428.15 3917.55 11859.39 6544.17 1920.67 982.21 3695.43 5775.63 9517.75 1236.27 1816.15 12066.31 9856.23 13316.12 11984.6 1110.92 1118.15 1610 11992.05 6392.76 1642.93 1339.7 3330.59 15980.45 13985.98 1324.26 2155.82 2001.32 3806.44 2544.65 832.69 960.72 10979.48 1271.25 686.98 867.5 1131.34 9287.31 16616.06 683.5 1116.92 5145.86 1547.59 1542.89 1676.32 9399.01 1431.75 843.79 10981.11 3337.12 1856.14 2550.41 5332.97 1854.47 1911.2 773.35 2101.61 3472.84 4468.46 5045.81 4365.36 4810.33 2982.49 3671.61 2778.69 5234.05 4534.46 Val-Ile-Thr 3045.11 1688.1 5902.26 1717.43 19612.91 10722.62 2569.68 13913.84 18230.22 8154.06 2371.06 2921.53 5942.06 3403.94 16569.07 1680.66 1755.06 10383.14 2516.05 12961.18 1689.92 1653.99 3042.29 1364.84 14092.03 11910.48 1383.95 991.56 12011.97 474.23 1267.25 1884.51 7202.32 3505.63 7147.25 6167.94 7671.19 2635.47 988.23 10373.17 5471.27 2929.69 9457.72 1027.64 7879.02 2661.55 4721.05 2856.56 1503.16 1600.33 1927.16 3829.54 2645.89 7989.55 8623.99 3840.28 6827.36 8352.56 10486.91 5686.46 1809.48 1674.48 13589.5 8953.25 11775.59 6324.2 5874.88 1387.48 1996.39 11076.22 13918.04 837.16 3512.36 14938.3 5852.03 7129.8 6201.73 7130.11 6840.65 6818.15 6754.21 7189.68 7278.03 7132.16 Lys-Val-Lys 32159.61 21534.44 57452.81 40799.47 146980.18 106546.74 7583.93 69136.08 41862.88 17158.04 26609.33 40887.26 1737.51 17756.02 37938.54 108081.15 29543.02 31261.73 66431.37 94933.94 58650.87 13460.45 75437.82 34787.89 51726.04 30399.19 20720.32 26878.54 82401.8 41608.49 23615.44 104872.52 38279.15 82934.38 38078.81 54158.5 35348.54 9062.87 25896.71 18495.21 16470.83 43461.24 65987.02 12299.13 32304.19 32240.18 49107.89 56925.18 60294.08 64536.35 32595.42 29205.85 58808.6 52067.3 52063.84 38934.32 31547.69 29001.28 40897.68 2720.11 35102.39 15126.81 42102.1 139039.69 43794.7 30425.65 4797.65 19043.08 20105.91 56225.76 22408.13 54861.75 40185.52 36527.69 36149.33 74699.32 52172.52 45627.94 58045.35 55496.21 58931.31 51825.92 58997.3 51002.43 Trp-Trp-Glu 1221.11 8941.05 1454.44 3254.08 3553.22 2082.19 9494.2 15083.52 14033.25 8720.91 12285.74 15469.41 7795.12 13198.8 13268.17 670.27 3781.22 4936.93 5428.6 2771.29 24938.65 3769.89 427.41 1526.34 10990.33 9805.98 3311.71 11100.02 16809.86 9353.25 11785.26 7763.95 1605.2 10366.32 8135.41 14355.88 12048.64 12748.47 7814.18 6570.79 14412.64 8460.19 8622 9124.56 15573.27 13082.98 10316.41 13479.59 11518.97 21618.47 17850.55 13026.73 6001.9 11232.94 12330 12142.57 4446.82 5555.05 7836.18 9289.24 8171.76 5938.56 10538.19 6244.41 7777.01 15751.25 13154.83 14332.89 8074.73 30813.5 13546.02 14463.67 11012.15 6983.27 8244.03 12272.03 13003.38 12959.58 8904.21 13131.58 12120.12 13002.27 12467.22 13083.06 3-Amino-2,3-dihydrobenzoic acid 190.08 226.73 2319.64 5013.27 261.64 17701.46 10116.06 736.62 660.46 1944.45 79.83 88.18 1170.39 101.87 159.74 692.27 785.3 172.91 182.06 155.45 935.14 18110.86 534.27 139.43 275.99 225.1 247.75 852.38 747.8 216.38 185 164.5 114.33 4553.03 423.15 438.7 394.22 37152.87 292.17 102.81 169.76 1100.95 171.99 169.6 117.94 846.14 278.11 249.14 351.16 250.77 907.67 407 203.69 307.06 772.03 271.1 4453.68 1867.24 309.32 29156.13 305.84 938.44 287.18 179.14 135.25 340.02 180.23 437.95 202.3 350.02 369.57 438.9 120.68 401.39 325.92 3035.34 3035.41 3047.09 3035.47 3039.2 3047.02 3047.22 2999.9 3035.35 Ala-Ile-Phe 7813.92 2224.25 6245.62 609.98 13520.62 3551.12 3046.64 3575.01 3501.7 3370.77 1270.26 5302.4 579.38 951.08 2339.63 1841.3 1216.46 2078.31 1889.4 7877.45 2814.61 3160.27 870.54 3435.55 7260.99 1176.38 1543.33 4091.25 565.44 2785.83 1293.94 1333.83 378.82 5307.75 1701.61 3977.04 4040.25 1781.88 2662.19 3959.97 4188.29 5328.01 3193.71 1970.03 2976.22 8686.86 3842.58 2716.61 2499.2 6186.65 6301.17 2113.6 5049.4 5679.04 7929.92 946.62 3773.16 2080.15 3737.54 1539.68 1368.39 3067.74 3456.37 3433.99 1982.97 5480.1 2167.58 3095.46 1451.23 5396.72 2246.88 3209.99 3081.99 6019.76 12277.9 4748.67 5028.87 4507.54 4838.59 4460.3 4741.26 4947 5329.7 4680.98 Tyr-Glu-Asp 1534.11 1712.69 10298.16 512 1969.86 1818.11 5978 2949.59 7860.74 4347.08 2133.23 4625.15 4198.92 943.72 3923.74 7103.28 2663.16 3990.65 5297.01 3472.45 1449.63 9310.5 2637.48 1366.51 2008.53 2331.39 807.54 10025.8 5512.88 2401.5 3822.61 1085.91 3023 3791.19 2046.86 2892.4 7774.41 4392.23 5984.43 6893.09 1162.7 3899.92 4209.03 2184.88 6309.21 3576.63 10048.33 5574.58 3273.87 5877.53 1390.26 10055.36 5521.01 7255.12 5254.46 7158.47 4698.33 7026.86 1707.53 1434.74 6048.42 3003.62 8959.66 825.91 7720.26 2894.44 2611.5 4857.54 5431.57 2597.36 2089.98 942.61 7934.13 5650.21 7344.66 11681.44 11655.58 7447.53 4942.05 6638.77 9450.91 12057.64 11574.21 3821.45 6155.12 9208.03 11124.17 10954.68 11643.52 3772.71 11464.34 5313.23 10799.12 13814.21 5117.76 9839.18 9364.05 7322.27 9388.33 8191.49 4379.69 4117.02 3986.31 3754.88 3986.24 4220.37 4353.15 3574.29 2656.96 Met-Phe-Met 4843.74 3222.27 2562.85 814.7 1753.96 46650.15 3555.26 4521.27 4871.38 3190.68 880.58 2458.03 3101.14 790.99 3594.28 3058.81 5340.71 4463.45 9003.17 4553.37 2387.85 14181.43 4255.69 5028.16 2861.05 3553.1 6409.26 1163.51 9839.31 3610.4 4816.11 3365.91 2520.89 2201.61 3533.04 4007.51 3559.47 30001.34 986.86 2327.27 2901.58 4015.69 11240.79 1795.96 6752.65 1454.15 5143.12 2616.77 2176.62 1766.08 2044.77 4872.53 1523.48 1702.3 3343.83 1599.03 1854.54 1881.68 2489.64 9390.96 1406.82 3246.17 1672.4 1879.35 2719.9 1675.97 2282.24 2808.61 1673.56 3855.3 3591.45 1852.26 2279.65 4599.04 1104.56 2357.14 2413.59 2314.42 2306.47 2359.34 2298.1 2299.33 2318.1 1971.43 Alkynyl 4-hydroxy-2-nonenal 328.02 745.01 421.65 249.84 1468.32 554.57 1287.97 537.44 233.99 495.04 631.72 2808.13 1045.35 271.3 628.27 4596.66 452.83 279.2 172.76 928.44 3089.64 449.74 150.77 182.29 815.32 488.47 1585.12 150.13 316.22 153.76 255.8 335.87 411.67 580.24 251.19 583.21 535.19 374.79 372.64 361.32 1352.01 131.48 156.04 305.08 677.08 1110.45 507.82 246.79 118.25 206.29 295.83 2683.61 315.69 129 786.26 117.39 348.87 201.94 743.62 2074.84 114.62 3001.26 451.48 127.5 153.69 119.52 1631.54 1135.9 579.45 137.75 749.4 198.96 113.52 258.94 183.47 2171.08 2357.12 2126.24 2116.68 2110.81 2021.69 2112.89 2169.42 2172.72 His-Asn-Cys 22621.78 10718.21 2859.76 6044.01 15878 14572.02 14884.27 14144.76 29591.69 22268.1 45294.35 43892.24 9279.32 31769.03 785.91 33991.36 14983.08 25151.06 15840.55 31629.33 6872.82 7591.2 1611.06 44773.35 11248.29 15163.58 33553.61 54626.54 16584.94 22916.64 27841.19 34255.34 9851.56 19498.39 14749.96 25261.64 24040.41 9684.51 36056.25 10453.43 21977.36 16920.47 2313.43 32687.96 18426.94 21137.2 15886.71 34189.54 25557.43 22670.36 16704.8 12068.22 35761.22 22106.94 12401.11 13541.01 5689.31 14203.85 23109.2 2072.71 25346.98 15960.26 502.35 1014.55 6409.23 15225.89 24937.66 35146.97 48078.18 20095.59 9902.8 15950.46 21189.61 1556.56 7192.66 19415.46 19386.83 18306.34 19385.5 19451.84 20091.16 22204.14 19894.55 19313.54 Tyr-Lys-Arg-Glu 57149.25 2984.78 31783.85 28408.88 507836.32 194889.83 95156.5 62335.13 61826.57 59956.1 34814.87 80073 90543.83 42491.31 1578.88 81646.05 51077.27 69651.25 72978.01 44691.06 75703.42 2362.94 45301.31 25615.68 79776.37 54834.58 43500.37 34656.53 94899.09 31195.4 2184.21 145872.56 35691.13 71922.4 41326.07 37586.3 50605.95 48658.44 30625.67 23850.17 14323.29 248387.1 26908.54 12798.52 121410.92 80675.03 16441.79 21203.04 103549.76 93379.24 194217.2 62432.38 48624.97 54655.74 116602.35 25471.72 25137.39 10568.29 68448.8 49616.65 31518.83 40891.78 59800.26 30364.1 8750.55 123198.1 14232.89 65373.74 27122.39 44162.76 13461.7 47782.81 32267.62 19573.46 45048.03 7115.49 4659.6 3105.2 988.91 1950.07 4840.54 7584.36 6594.07 914.4 3817.39 5397.62 6422.6 6724.61 6543.2 6041.73 9909.92 650.29 5407.11 4963.02 3151.8 4504.52 3398.08 69558.46 69551.46 68228.47 68171.92 69351.99 69818.05 68512.59 68166.42 68170.92 Pro-Leu-Val 978.41 1720.78 530.48 3085.93 2550.24 1492.17 2579.08 2458.2 4951.95 1864.43 2317.32 4466.88 1483.7 451.48 596.55 4609.39 1482.42 2249.89 1292.98 2162 2240.37 1903.83 2639.48 4455.78 2430.82 1918.51 1793.83 3477.01 747.79 2092.95 2230.62 1928.05 1264.36 5226.85 4009.58 4238.44 2683.85 1971.06 3323.11 3144.51 2354.25 3669.99 4285.93 2563.18 6045.87 5211.58 5641.57 5700.35 2153.66 8192.35 1559.28 3836.21 4847.19 3438.37 2662.53 2869.41 2124.27 2221.85 1452.8 3183.75 2389.51 3734 2624.13 5296.43 1482.77 2605.85 5025.24 2839.25 1930.6 2439.94 4145.31 4177 2553.02 5898.28 5246.63 3927.96 4884.7 4181.39 3917.74 3783.73 4111.54 3860 3696.18 3831.88 Ser-Ile-Glu 2465.39 4351.94 2537.25 2100.8 2149.67 7553.29 3994.64 12619.68 14335.26 3272.02 1543.9 1329.98 1165.3 1509.82 5657.05 1015.26 1379.77 3266.49 684.53 10519.79 439.73 2842.78 1628.09 1259.84 2323.16 1816.89 2282.26 5072.68 3979.7 676.35 7288.48 1308.59 17597.64 1319.41 4836.91 7666.56 11160.71 3890.87 1520.52 9146.14 5522.06 6316.26 8549.37 2957.49 5572.02 5537.41 11135.03 5616.22 3500.9 10357.04 2968.38 6395.72 4588.11 6879.29 9028.27 10886.16 5917.67 5708.14 7846.8 5461.89 4035.46 1191.03 20950.95 9809.48 12647.05 9455.86 894.65 842.77 782.26 13411.25 14012.48 3511.44 6401.2 11197.43 2780.28 8516.79 7004.03 8718.2 8370.5 8797.83 8374.93 8518.67 8317.67 9052.93 2-Palmitoyl-rac-glycerol 1899728.2 2329951.13 567980.25 1729398.94 2279901.81 1815616.53 1683273.19 1701858.91 1522451.23 592324.87 436072.95 684304.71 1002189.6 1579334.53 2263433.02 2627882.2 2061882.15 2109766.96 2415734.41 2665906.14 911801.5 710350.52 206961.53 1031558.65 1595214.18 1668089.7 1150243.74 789500.29 948860.07 812898.22 1531610.32 1996794.1 453712.09 532295.56 1256946.09 1735932.72 1445032.45 380179.9 281579.14 602608.91 1751414.54 1839554.98 939610.3 1760050.63 1664783.37 605522.97 2501171.22 1951944.68 816118.93 2057213.51 606549.22 941786.37 368801.24 590464.41 2573777.93 2032782.72 1295993.33 858545.04 1183162.44 859558.68 812555.56 710055.11 1914391.6 680310.09 709476.89 1664812.27 1767356.29 1874090.46 2946719.27 2513188.82 1346549.89 1630213.3 629903.64 1367119.32 2369998.21 1532066.35 1528520.56 1544978.87 1531212.52 1518969.82 1531998.08 1530855.11 1525907.26 1522249.92 CerP(d18:1/12:0) 35576.25 43014.74 28533 38591.99 42736.58 50443.08 25389.87 22604.13 24004.25 26032.67 15532.32 22696.62 27538.5 40755.57 26394.62 33067.43 27505.02 36793.72 34861.77 39015.43 28522.34 24307.74 18276.99 17952.36 22882.7 41429.17 22833.81 23555.7 41124.48 41234.21 44358.45 52918.08 27745.32 29866.36 12550.74 37131.85 29027.22 42997.55 23424.59 29921.51 49352.4 20565.03 26587.04 30332.29 40965.05 19798.06 34412.62 30528.88 31764.16 56274.64 35829.5 39803.5 24916.87 31535.47 26345.03 32533.12 24272.82 18208.15 23461.73 25395.34 24798.79 21781.86 26654.02 25909.2 17772.48 15634.34 43019.82 22975.81 23402.73 23966.49 27304.71 29053.68 23100.24 18988.89 13644.99 33806.69 34538.43 35316.67 34209.84 34037.5 33806.54 32922.25 33957.41 33804.42 Asn-Gln-His 4239.97 509.96 1629.19 715.13 866.73 1367.73 11028.92 3990.24 1060.22 392.33 438.23 416.95 1559.15 1088.6 1270.25 1595.24 18234.35 2861.15 43786.72 1245.46 1454.98 4158.32 1021.08 954.62 1100.36 3433.09 1231.09 319.41 29953.9 473.36 674.42 322.79 516.24 7720.12 24200.05 1093.07 3148.57 3500.79 1131.99 1571.92 3046.22 3289.49 10939.41 18170.54 4326.53 1245.55 8371.33 17985.61 3735.12 1850.63 1070.02 6314.8 20999.18 9411.01 616.54 8453.27 6435.2 19186.6 4448.2 16130.07 12882.13 6007.79 1219.76 17643.4 20907.42 3980.64 1859.05 5039.68 3572.88 1164.28 359.19 1990.8 5577.21 23637.89 3368.87 5217.08 5989.87 5678.84 5642.52 5909.88 5995.68 5713.68 6075.18 5690.94 His-Thr-Ala 7672.48 1266.33 1018.19 2101.93 20036.04 2092.82 13318.34 13787.18 15974.28 10139.54 10634.72 16606.09 8670.98 6171.41 17718.65 16797.01 10702.77 9757.63 21721.22 29604.27 10845.81 6886.69 4898.98 6715.65 16379.02 6774.71 9014.92 12219.88 18504.24 15127.81 16409.12 31501.84 9632.39 5495.18 7703.02 11955.11 11062.47 7182.96 7848.09 7700.09 13863.81 11235.27 8582.79 7302.14 7981.13 6863.77 15091.12 17149.36 11681.5 25206.92 9126.87 4649.39 5767.65 7389.62 7218.81 9139.48 4551.88 3281.77 12369.48 7175.12 6743 5380.44 3027.96 13606.85 8767.32 11204.85 18971.46 10202.65 9949.66 12864.51 9503.66 9971.9 8628.44 6009.99 9511.71 13036.63 10996.06 11409.47 11300.93 11405.81 10956.35 10957.53 11416.11 11170.34 Trp-Pro-Asp 13557.82 10940.35 1220.2 450.88 1896.42 4184.96 908.69 24464.3 19788.8 6224.27 1136.61 1080.25 5498.98 10297.86 18154.46 9838.03 5553.83 18055.23 12217.77 24242.7 18133.34 76109.34 2799.03 3848.65 19593.56 8443.4 1587.12 6846.57 20791.39 9348.85 39228.87 30047.19 1212.99 6034.23 5155.22 22366.39 27243.08 1192.18 5580.92 1299.15 34559.77 10403.41 5844.08 4597.37 39144.83 8267.51 16190.82 11064.76 9653.29 15054.8 10865.97 21104.17 5706.65 3946.2 10606.69 10858.14 1155.39 668.15 18827.86 2311.08 5325.63 4360.83 4691.62 3912.73 1134.05 13714.04 17323.21 6679.46 7410.39 15024.84 12242.72 11681.27 6699.89 1533.22 4566.04 12486.1 11995.76 12835.31 12455.08 13003.95 12828.65 12534.79 12202.26 11976.65 Methaqualone 8256.33 11263 15588.88 19555.83 9032.32 4218.5 11140.81 7973.13 10411.45 5616.96 8987.87 5091.09 7719.32 7674.47 11474.47 10966.86 9665.28 8637.8 8208.67 9446.8 7448.19 3225.78 5329.38 11692.01 8862.54 6095.21 6894.28 5451.76 5926.07 2837.76 6340.88 4350.52 5151.42 7404.37 13478.47 4743.69 9894.37 5912.55 8068.63 11087.91 3147.74 3400.75 12296.41 10912.62 9803.78 7878.06 8561.07 8385.42 4877.54 8234.71 6377.54 11538.9 10013.37 11012.75 11614.4 13649.16 19507.09 19543.28 4006.27 6739.46 10602.46 6847.86 16657.86 18482.76 10810.48 9905.01 10318.97 7101.71 8904.39 9963.26 11291.53 6343.19 15296.17 21626.76 20885.7 9710.46 9700.93 10038.79 9702.72 9810.99 9700.55 9343.03 10000.67 9753.69 Ile-Pro-Lys 12153.5 12261.65 94829.87 782.77 20749.54 15198.07 7405.63 25026.74 10882.73 17653.75 2255.96 12039.78 35997.56 11011.45 3041.04 24931.12 37748.28 471.64 91720.5 709.25 22102.62 10190.73 33994.82 13577.35 50870.59 3155.02 59665.08 791.8 24609.84 1139.1 4124.85 2805.1 21996.44 12612.59 8088.64 20391.54 10279.01 8193.74 13349.62 5204.58 13203.2 9467.19 4410.02 4639.17 3686.5 11383.45 18257.62 27227.07 36233.38 19621.07 5702.23 11788.43 10345.55 17111.57 60244.69 7286.83 118223.39 9548.87 6190.49 21306.78 34725.4 19679.66 4102.8 13350.9 6126.85 11908.39 4266.23 10307.17 5880.8 17162.17 4479.01 21305.26 16286.72 36582.76 24580.07 17793.73 17725.34 17744.38 17754.33 16873.65 17438.99 16929.07 17796.51 13079.83 Cys-His 2805.32 5377.65 954.83 1705.49 2394.03 901.55 1298.28 6200.04 4684.26 1908.89 2415.29 1814.53 2898.63 1730.01 9408.31 963.97 2807.8 9110.69 6339.93 4980.21 2664.71 2936.77 1158.45 2913.9 5934.9 1829.87 1522.89 1063.16 3123.75 905.42 6655.73 5366.6 1393.69 954.74 2287.57 6143.82 5078.87 585.29 736.92 4022.65 6986.3 7394.8 3319.6 3998.55 2831.03 2359.92 4680.82 4212.98 1102.36 3034.58 1174.17 1827.21 1858.51 2660.53 6920.8 6392.82 1831.43 1838.64 4540.4 2936.41 2141.12 1360.13 4345.6 3472.88 7025.01 5426.42 3106.06 2451.54 2161.35 5585.14 1570.13 3136.02 1201.08 3145.63 3391.97 4057.81 4023.03 3954.37 3892.66 3676.46 4017.96 3990.14 2925.59 4048.68 Ser-Leu-Asp 2608.89 13142.74 10966.57 12144.07 11376.93 5873.06 12555.59 12180.49 15543.47 10342.13 4161.27 1943.81 10501.43 3896.11 1918.91 10655.29 9685.01 1305.08 10030.33 2006.67 5637.22 3590.75 3626.8 12153.57 12279.84 4229.08 2670.03 2627.14 2323.2 13085.7 3121.68 13196.55 4231.45 15389.33 12288.98 14757.2 13742.66 13922.85 11224.86 11613.3 11396.55 13199.1 11659.28 13595.23 12593.66 14060.36 12275.05 12389.99 14239 13391.66 11439.77 8300.68 11478.38 22494.15 12726.03 17858.24 10354.38 10380.7 10823.06 11777.46 12673.56 18648.08 14747.64 11460.55 10692.03 14210.1 16522.77 13309.53 11018.29 10726.82 11935.99 12131.33 11785.94 8383.26 10668.39 12180.34 10678.04 12179.36 12182.35 12690.61 11885.21 12673.37 12595.26 12670.04 Ile-Phe-Ala 1624.96 238.94 109.22 15313.82 24526.2 37106.39 29607.23 595.39 165.04 384.05 281.46 1042.08 9989.18 266.82 131.6 2933.85 1484.49 172.29 134.44 80.93 243.61 117.48 102.65 212.21 55.66 44.39 2162.06 955.78 442.24 1048.84 73.45 2025.31 119.95 2470.89 1091.84 181.38 222.12 1891.93 551.19 1418.1 17289.57 3913.23 291.24 352.62 174.36 21017.13 191.34 82.68 171.25 2133.25 3138.45 678.91 1123.95 2734.08 5635.47 167.21 269.1 123.68 981.08 2622.94 86.07 2185.18 3438.35 437.99 76.84 2527.03 249.43 283.69 477.34 200.97 199.77 330.5 87.41 1145.58 4203.5 7838.9 7166.64 7698.09 7640.22 7619.95 8486.03 7673.16 7365.22 7329.01 1-beta-D-Galactosylsphingosine 6606.68 14527.19 3667.5 819.18 18065.36 10678.49 11824.65 12502.56 7827.15 8499.62 4941.89 8146.94 2260.9 5343.32 6335.09 4725.94 943.38 5612.3 2301.52 10011.04 11515.37 9906.9 8036.33 6749.33 9127.69 10955.6 856.3 6413.54 22884.35 6009 31861.54 7945.42 5740.48 19061.06 5607.82 17692.3 9478.06 11091.91 6662.64 6432.24 11690.26 10388.4 6601.47 4694.06 26669.78 5440.18 19780.23 5307.6 8047.08 19466.17 9857.77 15818.7 3092.28 9921.63 8811.69 14224.43 2084.2 4131.56 9604.35 2977.83 2595.24 4816.41 11617.58 9106.12 3827.81 8082.59 33082.34 7505.01 2423.38 5524.16 10991.83 12342.24 7517.97 6424.21 3664.71 12299.16 10124.37 14661.27 11240.85 10352.02 7153.1 3999.27 10906.45 11262.52 1521.18 1108.61 3830.08 5074.04 9957.88 2489.56 7454.84 3482.96 19794.57 546.52 3061.86 10331.57 3720.78 6932.58 10606.98 36422.56 5265.37 5399.47 5595.27 5251.05 5610.83 5138.09 5093.58 1841.1 5076.26 Ser-Phe-Met 9002.92 4664.01 9493.38 8123.54 4938.78 3179.83 10774.54 2407 5382 8097.15 16544.21 14524.73 10899.36 10890.36 4474.75 14075.6 8006.52 5005.76 13099.49 2678.15 6193.13 3262.66 12883.14 12872.83 6077.87 1456.64 29199.8 24542.13 6208.55 7287.77 4705.06 20502.85 3240.59 6370.14 18697.63 4407.01 6082.31 4239.89 17082.5 12597.47 4886.1 3972.82 16642.89 12028.98 6211.56 13156.92 4530.56 11590.19 5671.68 15055.53 4629.66 2759.97 13239.42 16083.89 5076 5130.03 2514.03 9076.34 6244.44 2321.61 10764.8 5142.9 4293.97 12708.02 10225.73 6050.33 2215.62 13957.44 14110.17 2350.4 5490.19 10847.16 10811.13 10053.09 11801.34 6623.48 6552.01 7008.17 6510.06 7752.19 6614.03 6543.13 6963.64 6971.78 Ile-Glu-Ala 3789.27 2386.32 4131.47 13082.74 3140.96 6495.17 5940.35 19491.93 49901.25 9720.43 2284.75 21326 1469.88 1653.29 25234.93 8811.89 3987.16 21641.96 1410.39 47913.17 1701.89 7678.08 2573.54 6397.04 7466.02 19739.17 6683.52 1757.47 2608.34 964.36 5636.26 2128.65 3724.44 1890.25 8186.16 15350.58 13515.3 2867.73 1630.7 9809.73 4480.64 9526.69 11702.89 2694.86 10689.5 7690.95 15251.96 6307.56 6791.87 7274.87 3417.51 7372.04 4078.84 12503.44 11934.74 14737.41 8576.4 11806.36 10626.35 24169.19 5276.86 2501.66 16642.04 30317.74 10289.9 11821.9 5219.01 9623.87 5971.62 15105.81 22193.88 7162.14 8843.48 25266.37 6863.79 12086.99 12425.76 12160.09 11376.43 12204.77 12646.63 12056.1 12287.07 12460.96 Lys-Gly-Leu 576.15 2484.11 840.11 559.46 4359.85 702.19 2286.99 4882.08 6600.27 3498.32 975.4 2728.3 695.25 1044.17 6447.98 1716.58 1286.35 4852.45 4335.71 5332.05 1215.82 690.43 435.84 1069.29 4823.48 6226.18 3019.7 1218.77 4034.13 572.93 508.15 3266.86 4189.11 1262.1 2073.75 3822.92 2545.77 1185.42 553.63 3794.44 1101.4 1466.51 4546.53 720.15 1647.33 3315.37 3657 2369.29 723.58 1796.75 1455.9 1771.06 3430.22 4737.21 1651.69 2046.43 1355.97 3431.91 3256.63 4646.08 993.06 467.07 4237.89 6206.46 6362.03 4068.33 512.12 820.63 977.98 4807.77 6855.2 914.48 2591.21 8053.69 1178.85 3443.27 3384.6 3386.85 3385 3557.09 3386.93 3800.2 3387.41 3388.03 Gln-Glu-Phe 3856.49 797.38 1538.12 1468.14 500.35 2752.69 708.31 2031.09 4365.06 1750.57 717.64 2705.96 2423.49 2058.19 1001.94 3474.99 402.91 1301.94 1761.19 1953.82 3230.48 917.91 345.31 1347.17 1581.22 1783.45 2078.37 1533.62 10898.38 1111.33 1841.86 1791.67 1637.25 2050.12 2265.43 10059.61 678.83 1792.26 1582.24 1119.1 2110.46 2208.06 1731.06 1491.76 2054.57 307.54 8174.68 409.59 2084.97 3828.88 718.37 258.89 4436.12 1837.87 821.97 1560.56 3050.89 2200.26 264.56 445.28 1183.5 1842.35 225.18 1620.5 288.33 1004.86 603.94 1238.6 261.05 2840.47 363.49 226.66 1209.01 1285.13 1680.97 4900.19 4547.95 4229.16 4283.6 4297.32 4166.6 3691.93 4537.73 4613.41 8,11,14-Eicosatrien-5-ynoic acid 449.18 2042.91 3363.63 3407.02 1743.54 1955.65 1711.4 519.69 650.33 817.15 1696.8 1667.29 1004.62 1947.65 2796.16 4080.1 3278.77 1385.18 1328.42 874.78 607.85 393.1 1162.66 1355.32 1086.4 685.14 1771.82 1567.07 519.42 1871.03 669.85 890.82 798.9 2603.8 3014.63 388.12 1233.71 1138.71 1770.87 3028.39 1080.84 999.38 5086.25 2418.04 1130.81 1259.21 676.23 3320.74 1359.78 4691.41 1326.01 1331.71 2826.14 4048.49 1562.31 2024.43 3979.63 2411.31 1233.68 583.36 2110.94 2328.63 1739.22 3870.6 2709.7 1478.6 1938.41 1732.55 1896.62 840.28 1192.56 842.35 1861.12 4415.01 2440.92 2377.87 2275.36 2279.53 2338.86 2349.47 2296.1 2390 2640.68 2064.6 Ala-Thr-Lys 6465.81 1575.14 967.42 666.08 9656.87 868.32 13555.45 13886.14 4750.05 3416.69 1550.91 3507.9 2335.73 1774.8 7820.57 3424.4 1400.25 16232.8 14969.39 17398.91 7485.37 3004.64 1564.72 4582.87 7801.42 2354.43 1597.53 2021.76 13993.12 5410.4 5131.98 30793.57 9095.65 5735.57 2023.64 9851.41 6132.89 982.76 1477.25 570.19 2899.86 11791.55 3577.28 2126.29 9852.95 11361.08 11945.64 8302.83 12521.37 14090.53 6303.14 4171.82 2559.45 2231.46 6352.81 4189.76 464.22 1485.93 15145.38 3058.03 1276.5 1814.54 4063.15 6239.45 3237.29 3262.26 2961.85 1417.08 966.73 10903.89 2099.99 2222.89 5952.61 1190.95 706.8 7238.6 7633.87 7271.61 7514.88 7260.89 8350.22 7524.85 7136.35 7147.34 Gly-Phe-Leu-Leu-Val 3065.93 2804.23 2911.05 3669.82 653.39 4016.55 3121.67 3045.09 3298.15 3683.09 3045.09 3415.35 2945.76 2346.35 3887.59 5810.92 4443.91 4749.29 5047.22 3693.51 3757.44 4459.86 3812.32 4723.63 2126.79 3716.4 3437.25 3287.08 2984.17 3671.56 3272.77 3815.6 4251.67 3677.25 3242.35 1133.33 2791.26 3820.06 2432.68 3808.41 3670.1 3577.07 2743.61 3529.31 2083.86 6082.37 2394.3 3205.61 1532.87 3908.77 2494.38 3925.61 2824.85 3465.67 3679.38 3277.74 4107.08 2072.05 1626.96 3470.47 2933.66 1452.16 3192.85 3496.79 3175.2 2863.39 2459.01 1711.62 2302.32 2986.44 3360.42 3458.82 2139.68 5548.97 2758.2 4192.4 4068.74 4195.02 4143.8 4072.41 3773.76 3842.4 4564.79 4079.85 Ile-Arg-Lys 41279.12 31843.24 4010.92 1234.22 82934.28 89416.76 8812 88182.43 18409.72 7614.8 827.65 78101.08 944.75 1049.81 50013.53 3812.51 1487.92 49291.03 1483.48 48736.42 95167.39 61740.95 17042.22 16198.58 99094.64 96505.9 2473.12 1429.88 63502.04 29105.33 39735.37 53850.92 97639.98 10898.2 6498.52 134234.61 49324.44 42678.33 6439.31 2117.9 50450.56 64713.87 5703.33 7516.8 80561.37 4569.67 94385.28 79683.53 20645.25 5498.95 56574.49 95679.14 6457.41 3904.38 64821.34 53152.19 3565.09 4609.89 80838.28 34649.46 4259.07 8753.3 142984.43 2504.15 2759.6 67534.06 47771.62 7342.11 5989.37 91860.14 40695.97 4907.23 4419.04 5578.66 5132.18 41036.54 41686.02 41705.74 44293.06 40782.57 42367.47 41709.99 40089.38 41373.95 5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol 519.25 559.14 350.25 1128.8 3912.35 2158.62 2680.09 721.92 1205.03 678.95 1134.89 773.45 1959.39 564.91 1102.31 2706.68 1473.01 496.68 895.15 1971.37 915.54 2457.15 409.01 2878.64 2646.85 1490.05 5409.46 547.36 1577.13 1423.89 590.89 5415.61 628.11 15155.14 10772.22 2983.62 8857.84 5905.27 5150.2 2569.8 7255.31 4265.66 11484.65 3798.21 5852.32 1451.27 1067.27 4854.63 6403.09 5261.04 3325.88 1216.58 8511.44 15249.73 3481.15 2709.37 4852.84 2730.23 2658.36 2146.57 4510.77 5995.13 1195 12811.25 8653.07 2964.34 4930.18 6846.49 4580.93 4098.32 5059.68 916.3 11111.64 13829.27 9438.25 5489.52 5391.35 5881.63 5462.2 5805.83 5829.33 5424.51 6142.69 3571.75 Ala-His-Thr 49903.12 30732.29 14703.85 17414.44 41619.06 35918.03 63529.58 47722.5 47785.21 38580.59 37482.44 22741.51 50972.05 56796.5 34993.96 57507.84 23605.65 27344.7 58988.43 41938.4 32868.45 23219.42 17634.97 36188.31 38206.49 38496 43240.24 48259.03 39684.23 29923.77 34519.48 98004.43 22192.32 38433.01 27704.71 36427.09 39725.81 8504.11 39364.21 37234.28 46615.63 54807.83 23361.35 30693.26 45319.84 46758 41088.04 56118.36 61138 77318.06 35810.68 32288.93 52527.76 49403.54 31305.94 34575.27 15357.35 19932.07 35902.68 15777.93 24734.74 19603.25 32351.1 17225.56 2908.19 39102.3 41738.81 56520.46 45670.96 39900.06 32982.4 27025.97 32497.36 21076.36 38786.28 36553.02 39046.31 37014.88 37062.24 37164.29 37136.6 36209.05 35693.23 36479.87 Clobenpropit 8007.54 9055.34 2726.34 5856.75 7490.27 4254.04 4792.83 5059.42 4362.41 6064.06 4500.38 6206.42 6226.76 7394.85 4557.02 5577.91 3919.62 5482.16 6807.39 5631.95 4555.93 3499.03 4116.77 4419.97 5159.7 3510.54 4430.05 5188.48 7630.96 2982.8 7368.28 10484.04 1738.07 4305.55 5738.82 6536.96 4268.62 4658.95 5737.94 5152.57 7785.97 7873.12 5904.27 5372.95 6217.83 6820.72 6174.23 5364.09 5108.7 8403.43 7370.21 11147.81 6059.6 7380.46 5803.86 6965.77 4313.69 3829.63 3681.66 3147.9 4968.97 7836.28 4947.07 3860.08 4591.6 6431.15 4908.54 5436.94 5465.79 3718.74 6578.9 6531.82 4491.46 5795.52 5600 5564.3 5626.47 5805.77 5708.65 5610.1 5713.29 5680.05 5173.61 5559.61 N-Acetyl-DL-tryptophan 2820.62 2640.38 10478.67 7801.59 5357.47 7205.54 10981.99 3005.71 9454.27 3445.18 7062.77 12680.86 12137.59 7407.63 896.58 14828.77 7354.42 10023.46 16968.94 16781.45 9585.18 7680.47 8549.89 9248.78 7501.05 9763.05 9362.74 12319.07 14462.23 8747.87 7989.82 20556.61 24922.96 5431.53 6076.41 4756.04 4045.91 3461.59 10934.34 6322.2 11862.78 6251.51 10281.21 8186.25 5188.11 12600.28 7725.49 10146.49 8755.71 20314.32 2277.6 4131.28 11763.95 12926.28 6399.71 5036.03 6412.4 5669.62 1470.44 884.88 6716.3 7159.77 21571.29 8234.6 5887.93 2861.92 16948.42 11088.74 8663.01 4868.16 7282.22 15723.37 11490.5 6201.63 5718.48 9382.34 9372.24 9284.96 9253.68 9150.06 9226.53 9361.2 7933.19 9373.23 2,4,6,8,10,12-Docosahexaenoic acid, ethyl ester 81475.21 37709.27 26345 9399.97 13584.84 676.74 471.69 29293.74 14401.06 39208.74 20233.81 92056.09 24403.39 36622.96 81485.12 109943.11 6739.71 39679.96 411.15 109959.46 46106.56 28760.98 24471.41 25497.56 13273.21 5469.35 33012.23 4074.94 41536.07 80023.78 41970.72 62006.78 11687.8 35958.36 30320.15 181340.84 37165.35 1323.88 34609.88 75142.7 20892.55 434069.81 20452.6 34180.06 981.28 30845.55 138640.62 4972.35 63823.69 99424.37 70451.92 976.19 2629.44 17427.74 9496.17 912.64 23939.1 951.23 32326.32 24832.36 11005.29 32521.17 51619.59 11412.8 21939.4 47605.98 10796.17 42492.35 3623 47234.96 38844.89 40204.94 1857.99 11589.31 4256.56 40081.53 40761.63 41447.86 40056.29 39981.24 40748.8 40733.87 40331.4 40200.47 Glu-Ile-Ala 15963.77 10753.11 3196.16 2548.78 3727.22 3503.07 9680.63 14222.87 10966.27 5967.11 613.45 3417.18 9036.7 4776.34 7733.68 2227.05 1644.57 10799.31 4686.58 20019.21 15409.59 5060.98 1326.05 3666.74 1495.56 13205.49 10597.39 4657.93 26466.03 1366.73 13730.99 2734.7 6261.03 5108.77 4190.82 13836.43 9320.57 6528.93 5294.47 3628.66 12193.32 14574.16 12373.21 3966.52 15265.74 10474.22 18887.49 7122.46 9331.42 6800.44 11518.84 4505.19 7173.83 6669.85 8149.65 7141.76 1939.44 2123.02 7081.16 1666.02 4406.41 3852.93 6558.37 4551.06 1636.05 11483.81 10799.93 5930.62 10794.98 12436.66 8053.55 5919.08 3501.53 4290.43 6760.08 7879.23 8119.99 8171.09 7916.73 7908.78 8166.41 8189.1 7984.98 6720.01 Asp-Val-Ala 1615.42 8034.28 1937.21 5722.54 30326.14 12264.65 9684.29 7638.97 14133.33 473.11 3427.51 10633.92 4333.01 3451.41 13395.86 1459.15 988.64 1784.44 1752.06 674.26 1041.42 4616.9 3920.05 1326.96 6967.54 13919.64 6129.49 1389.84 6922.13 1200.46 1757.99 3771.64 4935.3 5560.65 3947.29 7069.28 1614.29 1983.9 2156.27 933.95 1163.55 12041.48 2612.27 2174.1 5975.26 11550.48 7552.87 4554.41 6028.76 7711.89 10980.79 697.22 1138.14 6466.85 2157.09 4102.04 4139.7 2568.87 1876.67 14866.18 2023.31 1688.64 5608.47 2187.03 3219.74 7522.69 1562.59 2658.48 3176.95 5782.3 5053.84 3924.13 3195.25 1589.35 1038.27 5900.34 6014.44 5618.72 6021.29 5873.03 6014.08 6027.98 5987.03 5886.77 Gly-Phe-Asn-Thr-Phe 5304.4 4094.78 3241.28 5273.34 5651.29 10011.41 4947.1 6045.69 5236.96 6439.97 5361.76 4886.66 5233 5619.88 5117.74 8268.08 6517.49 5290.87 10160.72 12701.77 8040.57 4207.5 9201.83 6389.08 2945.09 6202.18 5672.99 4799.21 4299.64 5494.6 6057.71 4559.76 4826.97 7413.07 1082.68 1612.12 4991.23 5047.59 5110.63 565.82 5890.85 838.21 8147.96 6866.77 4000.47 12871.82 4724.1 5637.62 7743.82 1924.59 5265.18 7684.01 4862.05 3658.57 5344.53 8602.09 5673.25 4039.73 1004.14 6449.77 4749.61 1093.54 4213.69 8131.34 4727.56 4075.15 4887.41 4239.56 2137.88 6014.68 3527.25 4335.6 4294.76 2064.59 5593.92 4738.87 4760.56 5047.11 4899.33 3820.07 4956.28 4825.92 4998.62 4980.12 Glu-Trp-Leu 2247.92 2201.95 948.14 1011.45 3274.15 1583.42 1927.29 1769.17 2555.41 3128.56 690.46 1488.28 1008.29 1130.96 1453.73 7927.36 610.21 2329.31 4742.99 3071.67 1423.54 2115.75 572.02 856.46 7343.54 10562.5 1186.04 1643.95 1272.53 1020.82 2716.55 2181.56 2474.6 1024.06 664.82 1349.86 3642.73 1253.4 745.97 866.09 1398.34 1892.66 1437.54 774.72 1723.73 1237.97 3093.57 1584.41 671.96 2185 1069.98 1601.77 1089.85 1621.52 1591.09 1772.26 899.26 731.4 3803.78 1340.04 888.52 652.76 2953.96 4961.51 1163.17 1841.6 2511.7 1206.3 2543.68 9210.19 5846.09 2231.19 1185.31 1649.66 2453.14 3020.28 3566.62 3656.49 2840.67 3500.47 3675.3 3084.03 3474.22 3509.88 5,8-Dihydroxy-1,4-naphthoquinone 17822 32140.67 27353.76 15727.72 26130.9 86613.52 23338.39 33324.55 34733.06 30579.7 831.29 16394.54 33211.86 27202.06 35395.1 35659.59 28739.94 10681.56 26641.74 10270.47 25594.39 18351.2 20758.88 10084.71 23053.45 44786.33 24441.36 18975.2 38415.44 20307.63 8961.85 4796.1 24924.46 20999.56 18738.13 7080.25 13972.49 48441.85 24740.64 28368.31 13897.86 49421.02 39472.21 26795.78 10347.41 20729.32 28983.81 35495.44 26535.54 26955.13 26313.9 30319.24 28873.64 21491.51 22832.69 49890.05 19996.24 20839.22 26201.46 34077.01 16679.07 20412.97 28430.82 39587.62 28982.91 30575.26 29053.26 22284.65 21732.33 28450.01 31888.76 26383.33 19308.35 46687.29 34695 23559.42 22567.47 23613.67 22945.04 22549.2 17409.51 22553.82 22758.9 23409.4 Tyr-Ala-Ser 14140.62 2616.98 2237.36 2201.2 2576.85 5824.71 780.59 15311.85 14096.95 3346.76 2377.81 2305.34 1020.79 4217.41 2674.45 8880 3161.16 10177.61 3774.25 9453.65 16804.43 8494.83 3272.12 3934.71 14344.54 8959.94 1144.95 3227.53 1280.75 3265.31 3451.47 2994.95 1127.24 3691.57 4690.16 10527.76 7421.24 1259.48 4256.23 2433.81 6796.2 26091.32 2388.94 3009.49 7178.34 2848.48 3430.52 2988.94 471.54 835.83 10962.87 4579.83 1222.66 15843.31 6660.31 3832.23 482.33 2166.02 13611.57 1863.93 965.01 556.09 5325.63 1174.8 551.91 19092.41 3447.69 504.57 1200.29 7760.6 9392.13 3721.76 744.18 2009.02 763.34 6789.68 6824.17 6118.25 9297.11 5841.7 6784.83 6799.57 8676.18 6173.95 Met-Met-Phe 5243.77 6194.93 4692.29 4385.42 3525.19 128692.79 1176.86 10303.6 11884.71 6831.6 1291.46 3408.61 919.04 1585.88 11336.31 4581.71 1662.59 7850.83 11824.71 6829.76 2630.61 42446.16 14843.91 988.14 12851.11 4277.78 2709.09 1188.81 7712.81 3194.78 2729.01 3435.33 6327.36 11686.46 9088.57 6200.55 11306.7 29187.96 2185.02 3942.73 15186.41 7689.79 4722.27 4365.1 9783.44 4578.13 24175.25 11121.02 3529.43 7674.59 578.45 6901.44 1196.66 3870.75 3648.84 1576.95 2403.4 1751.99 14239.12 4720.8 1812.46 1899.49 3960.86 6714.95 8306.64 6550.39 8481.16 701.38 3108.77 9334.18 6730.73 1458.87 2938.21 6411.82 309.22 8809.45 9618.81 8839.4 7166.1 9640.64 7094.51 12252.02 8446.69 9742.43 Tribenzylamine N-oxide 6047.47 11789.88 5953.3 2513.47 7339.84 10764.01 3026.85 9961.89 9541.03 7823.63 6273.33 6088.12 2153.95 728.47 6665.87 2344.9 1869.06 8997.5 16131.98 10513.55 9081.98 37131.19 8240.07 4608.83 9228.88 12654.98 828.42 613 14368.78 1193.69 11901.34 23074.8 7558.52 2727.83 1679.28 9305.14 6893.32 11918.63 1177.17 7191.42 2048.19 16226.34 1978.92 1297.17 13861.09 1642.79 10359.45 6267.5 5111.35 13805.44 2755.27 9132.82 5161.35 5697.69 6583.6 9162.19 676.59 3927.15 8890.93 6562.62 10134.61 4687.02 13308.38 3504.91 1840.15 12644.84 11108.01 4547.74 3438.34 11346.25 6823.88 8233.6 962.01 6149.06 2299.18 9628.44 8920.36 8843.81 8985.04 8857.43 8839.38 9041.87 8912.25 8683.74 Valeryl-4-hydroxyvalsartan 15627.17 29301.23 23463.24 32467.65 84344.64 93598.19 46903.27 34339.45 5233.46 20155.89 9366.77 29511.69 49721.2 4763.44 49682.97 25265.57 20688.84 39974.78 49761.5 146270.99 39940.35 48558.36 6701.25 23420.14 27464.62 38203.3 25078.54 2597.92 50316.31 20279.56 45829.4 4365.62 36287.98 17514.88 29438.14 29508.15 39033.37 39810.24 9297.89 22333.87 65107.21 50204.25 22692.08 13193.4 46870.85 30963.97 55616.74 33373.95 21196.77 42538.88 19921.02 27724.54 30531.17 43003.42 39549.74 39696.56 29721.48 19272.78 32499.08 94613.84 18410.57 9891.14 41547.34 31438.13 16700.38 41367.46 31446.76 21236.27 4822.94 34710.11 40636.68 13084.6 19850.28 33036.6 60462.48 5173.13 3900.14 5351.42 7943.49 6935.83 7757.15 9768.29 3575.93 4320.35 5875.94 6104.89 6677.42 4870.57 3929.92 10100.01 2127.65 9017.62 9050.2 4240.72 5304.83 6567.14 5931.41 6411.15 6550.24 4803.78 36876.12 35082.39 34665.39 34502.05 34222.91 33103.21 34548.44 34865.4 35060.35 4-Tetradecanamidobenzylphosphonic acid 927.94 81.79 65.04 5595.15 82072.16 20581.43 23484.4 354.59 114.13 73.88 1706.13 286.34 2879.97 1619.26 199.13 2322.71 97.79 198.8 2206.8 528.51 448.94 146.35 1520.32 238.58 139.11 254.89 188.39 1769.51 358.59 1214.69 1240.8 523.19 160.55 84.49 220.77 214.21 137.04 300.18 65.14 2749.74 13699.06 1741.08 109.47 381.85 318.08 2143.62 417.88 244.34 592.17 450.44 514.49 330.56 660.81 593.7 836.23 273.34 3098.68 167.27 273.31 2694.05 139.59 321.25 349.87 338.52 299.42 461.16 551.93 99.27 350.98 150.38 99.24 255.18 120.98 574.6 873.1 3756.87 3744.49 3762.84 3756.7 3751.64 3736.77 3703.66 3756.82 3756.9 N-(2-Hydroxyethyl)hexadec-9-enamide 111179.72 74533.7 61018.74 59240.04 99673.96 135976.6 22668.31 35592.71 52282.94 33902.84 40208.79 58697.94 94755.38 157839.43 128970.28 85981.95 126210.73 312277.1 85566.44 571314.86 68552.34 93714.15 82936.46 31639.7 25494.58 189439.59 53151.15 46137.42 102027.54 91402.49 100588.2 79340.85 49859.52 123831.81 42631.74 102028.16 44279.13 69977.57 32859.55 43353.62 70976.15 33360.73 49198.25 74140.98 51280.8 35718.77 41098.78 80079.72 184095.84 103415.54 77501.83 53282.38 97509.97 96492.13 70069.36 55558 17284.29 14624.21 22306.59 30201.49 27163.48 29078.5 16890.39 24292.29 15690.67 37435.2 34414.04 18818.21 27302.89 13031.49 15143.61 9902.82 23127.73 45363.98 27205.44 28899.71 32312.95 32696.96 31713.25 32238 32100.84 31912.05 31237.42 32322.34 Methoxyphedrine 26440.83 18826.51 25267.64 20706.84 14220.24 9196.05 24692.35 2488.69 4292.79 66357.34 10104.8 11935.34 8930.96 34556.94 58158.29 18797.52 49084.33 18970.56 17142.39 10406.13 17468.12 22672.24 11524.78 39252.15 32409.91 39104.4 77260.65 64285.67 32399.76 20331.6 4855.25 12271.11 19734.18 42137.3 38997.24 34950.63 20236.07 31974.87 49117.08 45708.37 16898.24 54410.3 40463.41 39942.57 28395.51 27278.35 3939.79 56965.57 78917.6 29846.74 31104.72 35739.97 44758.18 37229.01 36617.32 45294.39 33646.7 30122.04 26526.99 40724.82 37627.56 22290.46 24058.22 72838.39 15820.35 11228.15 22664.79 34962.29 39349.92 28858.51 38032.93 16755.55 24819.34 59592.17 29055.51 14159.69 13368.48 10045.85 11610.03 12007.34 13954.97 8539.79 13378.71 13362.43 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine 160929.24 265652.63 184594.21 209497.65 264364.81 393265.35 128035.1 140788.06 157433.81 162786.13 112808.98 186291.4 298070.55 291350.57 217907.09 260770.42 215096.96 331009.87 254087.85 341844.34 268396.03 186210.85 165638.54 82812.5 108028.02 287938.36 104623.27 130916.02 199815.98 222921.27 321323.57 412187.88 206591.65 262742.83 147842.42 207266.97 185648.01 293366.17 192949.07 175124.19 407163.89 385788.45 208341.57 184370.61 280058.9 184462.11 263684.17 270163.38 239247.1 494866.42 282651.29 338150.93 220912.63 285435.24 175379.61 283242.9 199655.53 169093.5 160494.5 165734.35 161897.84 138762.34 195999.49 168450.37 145697.15 271990.66 369248.9 203958.03 162716.39 138387.48 238222.61 172850.02 185841.51 335135.96 281398.17 186743.72 6414.88 7410.77 19948.68 109478.57 77640.35 382491.81 391913.05 368302.48 382705.52 196122.11 673.99 155212.02 363309.15 435901.97 97777.35 285040.04 331937.45 393040.9 159878.97 473152.55 266810.19 282492.5 284605.78 283498.49 282292.1 283316.14 284632.64 281519.63 279889.46 Thr-Pro-Ile 2138.41 3237.27 1152.15 2103.45 24243.87 7029.14 4563.29 24748.65 16079.53 5602.98 2923.44 1382.88 1063.29 1792.68 26067.3 3159.09 6003.28 7432.9 1576.97 6262.83 5558.53 4021.38 809.88 2532.37 26045.38 28058.82 2963.89 1649.09 2621.19 1866.09 3076.69 6737.59 15644.82 2211.03 4348.61 9301.72 10520.12 856.72 1461.77 16708.11 2786 621.48 14096.73 577.32 6543.44 5571.34 18200.47 1484.12 1624.72 4387.41 4008.44 4909.26 5898.64 19389.43 13425.7 6817.05 3025.06 11955.53 10535.5 4721.57 1509.14 1524.23 21221.97 15601.09 16126.41 15933.52 2790.2 2345.07 5012.66 27449.92 23140.35 4388 8410 23682.2 4269.81 8069.64 8118.85 8472.47 8372.65 8397.12 8140.71 8117.21 8406.49 8093.93 Thr-Ile-Arg 4768.78 4352.44 4635.2 3022.06 3565.31 12494.7 2923.8 5263.37 3246.51 3937.15 3522.2 3053.03 3503.41 4623.31 2653.39 1919.47 3416.27 2654.01 1529.92 3840.68 3553.53 2728.23 3981.03 3664 2977.77 4364.94 4257.83 3627.93 3074.91 4136.1 3216.68 2780.96 835.96 4513.73 4461.4 3729.39 4407.7 4886.13 2822.97 3086.18 2611.57 5264.33 3838.04 3984.62 3154.74 811.96 6106.37 4014.22 1869.02 620.74 2250.45 3144.76 3037.69 2747.53 2303.08 3082.33 4009.61 4381.89 4342.07 4569.07 3714.1 6316.45 3413.54 3005.18 4043.08 3930.29 4913.59 5020.6 4170.71 3483.67 1377.01 4284.29 3030.55 1960.99 2867.33 2803.14 2140.29 2818 2869.51 2947.19 2992.6 2806.21 3431.77 2816.03 Met-Leu-Asn 2369.27 2451.84 1399.42 4152.61 1435.8 28072.86 3820.25 1563.39 2173.36 2836.05 1644.08 7133.57 4522.17 1214.79 2681.33 3130.26 1932.01 2512.59 10759.59 3175.35 1404.78 10414.26 1435.36 6269.52 3553.01 4946.81 843.94 742.98 2930.81 1620.16 2358.6 1925.97 2557.77 9615.53 3395.12 1294.78 1501.2 8924.51 5782.17 1379.94 4681.21 5129.61 12722.76 3849.74 1830.62 10914.75 2254.76 4363.33 2641.03 3354.43 2962.73 2530.27 3157.94 5504.69 2430.18 2020.36 2809.47 3372.22 1816.72 1837.96 4481.68 1244.43 1405.36 6902.2 3190.18 5586.46 1167.04 3323.89 3387.83 1121.3 3087.48 4675.47 3261.27 3406.2 4767.11 3076.77 3036.83 3163.18 3268.14 3013.7 3098.62 2273.78 3267.97 3331.95 Syringaldehyde 2957.13 2281.01 1229.26 1208.99 7257.29 3789.72 1263.18 4173.91 1470.74 8616.96 3620.03 6243.09 4712.7 3597.03 2480.06 4351.94 6966.59 6510.25 5732.72 3154.88 2234.42 3723.7 5238.82 3200.83 4011.79 1230.64 4272.67 4113.96 3348.88 1557.55 1682.12 2365.06 5313.98 3038.41 3563.17 3626.14 2317.05 3344.57 3796.15 8201.75 1886.63 8148.68 6069.87 2251.08 4685.49 2663.73 2342.06 11663.98 7200.55 7481.68 3119.21 2184.3 6990.4 3560.38 2264.88 5591.4 4840.9 2036.61 2296.23 4639.2 8167.07 4653.87 3089.65 3878.01 3314.45 3390.38 2323.64 5388.85 7126.96 1499.51 3469.75 7002.01 3602.29 6619.22 7045.94 4095.93 4384.4 4282.05 4674.24 2539.31 4593.73 5304.96 4210.8 4418.02 Tyr-Ser-Cys 1838.57 1225.03 568.1 393.81 438.68 2132.02 600.64 1639.11 1103.12 5094.3 820.3 566.01 4249.97 2005.6 930 2402.99 538.16 4499.64 2159.06 2026.03 2602.77 400.95 1366.77 517.67 2621.99 593.86 1228.1 1303.47 668.51 536.95 1202.69 850.2 310.59 307.43 394.33 8579.7 2488.37 1616.19 600.64 299.28 22556.14 2572.6 2609.76 1236.44 3673.73 1859.7 980.89 623.99 2127.11 1820.66 2581.6 964.97 312.48 1092.29 551.42 356.09 681.72 865.92 3810.93 347.43 429.34 386.54 338.69 1941.54 835.14 2837.29 986.47 1764.01 5424.65 3565.8 681.84 862.24 379.21 587.84 1078.44 2825.35 2886.4 2888.19 2821.54 2821.31 2887.78 2859.19 3070.98 2780.28 Decoquinate 4664.92 6599.9 2534.41 3591.01 4151.67 14217.99 5952.14 10749.05 5103.89 6848.08 2618 1020.46 3479.68 1244.23 1767.2 4088.55 1565.29 3324.18 1870 1630.21 8628.47 798.29 3065.06 2366.53 6887.68 7317.72 3880.04 1415.29 740.13 3310.24 1796.87 4943.9 2774.76 1807.54 2481.08 4525.09 4243.8 3131.12 1837.05 2805.79 8303.94 2385.58 3078.25 5908.1 5434.18 4332.43 3891.57 3542.22 3367.14 2575.64 1171.1 2030.97 2713.11 3497.4 8872.98 6568.03 4258.47 6493.01 4740.85 2729.84 3381.43 2824.48 3155.19 6440.46 3706.05 5455.46 3631.69 1714.9 1541.25 4150.03 3206.76 3300.14 5427.22 7289.09 2572 3729.82 3581.83 3555.88 4289.83 3738.07 2351.49 3516.37 3515.19 3515.03 Pro-Asn-Arg 3271.78 8189.42 6437.76 4191.85 11277.13 7966.67 2826.59 2633.46 10021.81 2024.61 1844.55 2911.16 701.9 7529.12 12214.43 4998.36 3979.64 14178.84 14661.93 13646.71 17283.62 5857.78 2493.84 4797.91 4149.23 11308.34 3696.97 3079.16 10573.57 1927.05 20284.81 37289.26 8229.54 24258.44 4373.89 6662.34 5051.81 1954.98 2548.84 5117.58 5783.45 1241.6 1983.13 3611.94 3667.65 895.17 6357.92 4009.37 821.36 1101.65 3663.65 1488.12 1599.77 20918.77 2933.12 911.07 6327.2 1391.09 10719.65 3897.35 10859.71 9155.57 6952.34 5819.81 4038.77 5945.98 17260.88 3446.21 5512.63 3257.43 3852.39 5341.24 4764.54 18677.96 5275.97 4327.23 4409.33 4630.98 3886.99 4082.79 2380.22 4455.4 4452.67 4353.61 Tyr-Arg-Ile-Glu 465693.73 278788.71 241949.71 201681.34 2339082.58 705823.22 268821.71 588848.14 532156.67 565778.95 268230.97 835584.12 285766.18 7857.37 457709.59 8039.94 225616.2 889653.66 1186408.88 157120.97 686925.82 7582.4 331584.32 364308.22 1091248.12 442260.26 461172.76 282801.76 965890.23 216434.25 298138.52 1883964.32 379568.32 476583.96 360244.85 741918.87 693164.96 302828.91 192694.21 249590.87 184015.64 1093447.11 328690.88 207139.35 1171236.78 487162.58 365559.54 345100.05 971934.56 939010.76 1283316.69 672958.26 519681.72 441018.61 1200013.27 599193.06 199445.84 192837.47 1159458.4 384655.17 364817.34 337632.17 771721.59 474599 201529.96 1321654.54 324942.1 402683.7 313311.19 614445.19 187810.9 655116.19 326240 321010.45 327874.62 633024.74 635822.18 632851.07 619511.17 634428.47 639221.27 632822.76 633852.22 634729.42 Ile-Glu-Ile 6593.31 8247.02 7607.44 5212.36 17692.81 11813.51 12300.16 22240.07 13821.31 11924.51 4275.21 8908.81 6076.68 6865.56 29661.45 11526.14 7801.53 20427.27 5446.85 15144.72 4827.41 3202.03 2297.9 10594.18 19872.99 14887.82 7169.43 7119.87 16898.72 8383.94 6178.69 20869.57 15801.21 5308.22 4872 17303.65 14261.16 4212.76 9339.2 4984.29 7730.57 13965.46 12236.26 4562.3 2945.55 10128.88 11806.92 6127.52 7084.2 7252.19 12450.49 2429.81 2412.87 11602.25 13041.41 11218.54 5976.35 4104.47 22548.53 8468.24 4548.26 4334.97 20695.41 8163.99 11647.62 4771.9 5330.47 6328.82 5977 19212.51 29423.03 5963.98 9052.87 7231.56 8085.61 9539 10070.34 10123.86 10829 9760.63 9503.01 10897.5 11214.62 10803.21 Gly-Cys-His 7259.34 13258.11 36290.49 26264.34 6252.74 4746.92 10722.02 7615.44 2017.59 6211.59 16047.33 1868.61 1261.13 15281.7 13207.5 15490.53 13563.2 13020 629.88 9818.07 13979.54 1840.61 15336.72 19602.98 10680.21 822.91 9104.31 9467.56 7637.78 4748.32 7206.23 1820.37 646.68 21056.2 25545.03 4211.97 11120.15 9174.99 12548.44 21602.57 2793.11 1918.03 22931.5 19337.03 10460.96 13687.51 11668.79 11776.96 6784.08 4930.01 8831.73 13881.02 19321.13 19744.9 19068.32 18108.72 40794.51 27973.08 8848.95 7936.74 18002.89 20396.69 22739.57 33201.44 17260.87 16795.25 13709.09 13956.05 17911.81 15421.57 4865.3 17949.16 29349.66 30757.67 32115.84 12815.73 12816 12415 12946.74 9958.07 12989.82 12886.5 12811.62 13701.35 Pro-Pro-Leu 124.48 630.62 674.33 5771.07 15917.14 10820.65 9097.8 142.55 440.81 448.72 446.99 172.3 3678.13 347.46 165.55 533.08 352.77 112.66 652.81 224.32 206.37 121.56 142.23 305.46 124.42 226.87 126.2 293.19 155.59 204.6 759.98 769.08 162.44 627.58 205.3 616.89 563.9 229.78 489.75 383.01 3663.67 1693.89 138.57 969.06 117.86 8322.78 705.52 578.35 140.56 942.11 265.66 583.08 255.77 1212.31 2653.63 614.67 297.75 722.11 279.53 754.44 677.63 497.31 159.02 275.05 416.92 728.75 591.23 520.57 118.86 193.33 160.76 511.18 421.57 508.73 722.52 2270.84 2298.92 2327.4 2300.57 2298.41 2250.12 2143.84 2280.09 2265.15 Lys-Ser-Gly 3997.33 7032.47 4890.87 6292.79 5631.23 9990.15 6756.86 2846.1 2538.35 1394.67 5577.56 2380.48 4904.94 4210.03 5423.9 2532.86 5125.59 2100.95 2830.44 3504.05 2153.32 4157.72 5906.71 3395.63 4351.03 5688.84 6467.89 4668.24 3721.14 2765.91 1289.05 1256.59 4485.21 7263.4 8460.39 4865.83 686.09 9882.57 7492.48 6580.04 4721.31 3353.82 9379.48 7279.39 1919.66 2065.94 4193.04 6383.98 1044.93 1857.28 7099.27 11063.32 4330 7941.67 3690.21 5617.14 6575.27 2462.25 3368.21 6509.08 5221.85 7323.13 4889.08 8418.82 2644.98 6651.44 773.82 1840.88 1597.1 4143.53 2856.45 7576.28 4154.99 6913.88 7991.38 7856.32 6094.54 6329.48 6352.28 6412.68 6127.2 6619.22 6249.33 4093.41 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 5283.92 3701.16 5044.65 5176.04 6134.81 3484.77 6386.22 6776.02 2317.29 4698.29 1891.2 3292.28 911.33 1990.31 8472.97 2886.88 2394.55 6040.66 896.67 1916.46 2704.63 2654.12 4431.27 3289.87 4388.74 1613.18 2182.41 1998.97 2537.05 3126.43 6482.6 650.27 1769.7 3256.36 4235.16 5922.62 5929.17 902.34 5459.58 5881.26 2462.68 3027.29 2790.48 1066.96 1401.02 5954.3 6144.29 5382.54 3373.58 1440.58 3986.05 4342.5 4325.54 6533.17 4588.78 5646.5 6046.27 5059.31 4244.34 2866.44 3478.92 6554.17 4197.83 6880.97 2764.69 5654.86 661.96 6221.55 5096.27 4482.15 3967.06 2236.04 5026.12 10391.39 10400.95 4061.61 3647.36 3776.18 4324.03 3899.35 3843.35 3639.39 3733.73 4002.38 Asp-Thr-Ala 12120.45 1831.24 2150.91 19677.1 66197.05 25159.8 30925.79 13686.16 12899.88 9637.38 16317.33 6826.26 33650.01 1086.31 4164.77 44924.7 3565.42 14050.29 594.17 6571.7 21650.48 13684.27 2587.38 2958.14 17578.76 4265.95 18081.49 839.11 2545.84 17108.14 4390.83 49490.33 2678.57 19562.66 14953.8 11668.79 9717.33 5144.44 19412.67 9895.8 15661.1 21137.74 12317.08 4234.26 13508.13 20211.12 3845.88 11255.76 29573.41 46571.71 14130.51 7260.23 11886.32 25004.61 14447.12 5987.65 6646.52 3167.23 13830.83 24323.31 9778.49 12460.98 8614.13 12101.78 3806.27 28206.32 16915.32 20018.96 10789.43 9221.21 8261.15 9820.85 17829.36 11000.47 23677.36 20407.07 18968.33 18661.36 18836.19 18189.03 18183.29 15766.55 18181.35 18918.73 Lys-Pro-Gly 2011.9 2082.81 1032.03 1864.07 884.2 1818.11 762.44 1045.47 1917.98 1676.62 4994.74 601.81 966.69 2527.84 6461.17 622.07 772.48 2272.92 2105.26 1116.45 689.69 1631.97 464.9 855.86 1446.08 1985.09 1726.08 2874.55 1786.61 1004.57 2179.04 2016.27 1138.22 1075.05 2720.88 2713.43 1546.75 2450.31 1507.59 1298.74 2146.82 2443.1 1733.11 2279.93 2374 1604.49 2949.36 2597.65 1056.86 2188.69 2153.57 2561.03 1252.09 2000.27 1108.74 1667.27 1758.96 1451.96 1234.93 1331.44 2165.77 2178.69 1859.83 3157.77 1748.51 2089.34 1386.96 2242.9 2001.39 2045.04 2783.05 2664.22 1306.35 1929.82 2723.61 2201.53 2103.16 2317.71 2104.37 2199.36 2138.72 2127.08 2138.94 2190.08 Pro-Lys-Lys 9622.16 9925.84 9470.94 10172.21 13863.43 9946.43 14815.78 18065.7 6888.4 7766.45 13278.63 3223.34 2373.16 518.58 8609.66 1683.41 8805.17 8837.86 1703.03 8473.09 12395.54 7056.15 5524.77 9236.5 3083.81 9700.41 10269.39 10628.64 9533.13 8730.1 10018.56 3953.04 7021.06 9708.46 10231.4 9059.71 8849.81 11219.76 8760.46 7028.93 8297.26 10330.98 6788.37 8300.39 8289.63 5966.17 7693.11 8894.3 8300.34 12369.71 7961.4 6529.67 11219.83 9498.26 12014.79 9799.88 7967.41 7704.62 8859.93 9975.53 8601.71 8685.77 7876.66 8964.81 8799.55 10665.49 6405.52 8014.05 9650.29 8418.65 8557.73 9271.54 9553.2 10894.48 8968.7 9143.06 8609.82 8196.34 8301.09 8313.69 8612.31 8591.1 6686.43 8610.55 Montelukast sulfoxide 20538.96 6001.68 21514.95 5081.55 2193.35 1958.01 1443.5 2989.82 24277.78 10952.24 411.84 6144.98 4433.04 7499.92 12298.35 5561.87 14655 10775.44 9402.41 1278.36 11814.88 6005 4538.58 1299.05 705.52 720.99 1046.41 6632.86 8640.99 4984.81 1677.93 4749.12 9306.37 1353.11 533.3 4307.98 10637.98 5755.77 3050.94 1742.41 1567.92 21269.61 886.14 1587.21 1226.56 751.47 8758.14 1130.96 4783.24 5704.34 12040.58 3482.22 439.7 1148.43 4935.96 13913.03 2650.85 1180.45 9391.46 948.81 1960.03 954.32 6445.83 1525.48 1045.78 15726.55 8655.65 2029.07 1407.99 9577.16 77931.84 6034.76 10474.66 2902.46 2543.36 6203.99 6047.57 5979.76 6204.96 6808.27 6172.63 5340.03 6213.75 5946.94 Gly-Lys-Ala 6284.07 5832.45 2588.91 6203.96 24078.33 11517.65 6082.33 8675.05 8378.85 6976.61 5661.87 7061.16 11814.03 4510.87 8862.16 18060.57 6606.07 6280.27 8992.16 17787.11 10551.3 5627.82 6103.35 3922.23 7637.18 8051.4 7039.57 6628.38 11533.66 6140.87 8980.25 21637.47 7416.73 9479.4 7192.3 6878.9 7642.97 9169.61 7754.27 5117.51 10872.72 17803.12 5450.29 4635.74 12966.24 11894.1 7516.59 6410.67 10179.92 13870.57 16489.58 8331.22 5872.09 9143.03 10812.94 8566.95 3076.31 4923.9 8206.22 8691.14 3810.33 5312.47 8274.99 5767.24 3876.95 14491.69 10813.67 6898.23 6536.95 8922.15 8579.3 8855.93 6613.94 7642.51 9193.28 10238.87 9712.72 9697.93 9703.65 9931.45 9949.61 9798.74 9152.8 9899.43 Flunisolide 2743.1 1941.42 712.93 656.26 4268.65 4011.3 4017.03 16297.25 681.01 6103.72 8014.24 2564.3 1384.28 2312.03 1999.14 12757.13 2352.01 1393.22 2537.89 1362.74 13106.29 1418.71 3396.1 2105.48 550.59 1101.64 4030.13 3274.63 316.98 1318.41 1280.85 1497.71 1597 7988.21 3846.46 10248.51 12918.25 6543.98 1155.84 2637.84 5692.79 12064.94 7588.08 4406.53 9083.78 4885.81 9380.75 6333.74 3158.96 11096.79 10186.37 9254.72 9083.89 1181.1 11740.08 8865.93 5129.66 1283.79 6653.23 2282.81 3443.8 3215.19 11240.53 7109.63 3493.22 10131.85 7144.39 4576.98 5479.17 11745.39 9846.04 8123.7 8778.16 2043.59 577.32 7399.13 6956.69 7110.48 7085.86 7530.2 7686.14 6949.15 6354.19 6602.94 Lys-Ala-Glu 4596.22 1686.7 4591.59 881.01 10634.27 3027.13 10876.07 13089.44 14121.95 8484.1 8575.57 6594.5 9207.43 8571.37 5942.52 10567.6 1853.32 2033.77 8386.57 11799.6 2920.2 4608.35 3968.1 5802.79 3793.17 6997.04 5097.71 9932.69 13489.79 3225.08 13222.26 8781.48 1596.01 2278.22 7387.66 6734.61 13979.3 6297.33 5160.45 8438.48 16157.53 16793.39 4990.83 3954.01 10239.27 10059.58 6565.36 4266.16 6717.12 11021.03 10708.09 6866.87 7773.71 4409.88 3215.68 4320.4 1479.77 4801.97 6417.9 7521.49 7779.95 7653.92 2194.19 2497.91 8396.74 11130.18 15008.1 6046.28 11330.19 9260.49 6455.11 2718.59 4113.65 4808.27 5709.36 7705.65 7347.74 7452.75 6895.46 6941.59 6919.37 2798.03 7015.91 6859.09 Arg-Ile-Glu 17801.84 903.32 17661.2 22348.94 4796.64 43575.01 17065.74 16382.52 11062.69 12362.29 1144.95 37583.2 55763.34 36965.09 957.39 24054.16 25897.8 36629.14 22971.17 21210.84 1368.68 1611.63 18796.46 12775.59 10427.72 21681.4 569.8 15100.11 25693.44 23826.81 39220.49 64687.24 48108.14 26554.53 21639.14 22714.2 76887.94 33720.1 20934.61 25651.37 40416.09 36101.29 20343.8 32764.98 22817.11 23939.4 73109.14 26785.82 28697.02 269682.51 67696.61 43119.98 28292.14 43788.13 21100.76 30305.49 14432.87 14125.64 22742.14 30406.97 14998.44 14417.51 35230.29 32162.06 16040.31 81080.36 45831.75 13050.39 27704.26 75154.13 60903.56 22998.8 42189.7 46121.93 65971.56 50221.58 45045.65 43672.12 42021.76 44721.29 50198.73 48594.52 46654.22 51245.11 Normirtazapine 10731.91 11427.1 6177.25 6527.96 27617.91 24096.85 7548.68 11191.03 13400.53 7533.11 9072.16 5802.63 7597.21 7546.36 29012.63 6508.63 6307.5 8255.2 8138.93 4927.89 10192.26 12491.11 8665.58 5937.41 9742.36 14766.4 12159.64 4936.48 12679.5 1837.09 4017.53 7740.67 19285.16 10545.86 11850.26 14457.61 8611.28 28801.62 11833.44 10417.65 6863.41 19283.45 14074.4 8396.58 11838.86 8287.15 9469.31 10382.32 7012.16 12002.23 12142.1 13959.51 9618.17 13942.47 10767.43 17343.23 6772.12 7102.08 12429.53 17867.71 7442.17 17758.18 10946.92 10721.8 7120.82 15058.09 7974.86 10294.65 9768.13 14284.07 9551.47 12167.17 11595.71 9149.9 12014.27 11809.74 11706.78 11079.05 11578.91 11460.52 11524.82 11472.59 11705.79 11494.51 Glu-Tyr-Leu 364.6 177.44 78.03 3980.93 17156.89 10869.83 8136.2 582.6 79.9 362.47 241.92 87.63 787.88 76.92 131.52 869.39 445.11 272.8 388.47 260.97 339.74 121.11 291.88 498.18 494.75 352.67 158.3 105.54 369.73 370.15 367.53 78.45 154.87 453.96 210.14 71.27 562.77 690.1 323.36 205.74 7872.12 167.58 364.12 162.56 353.74 1159.74 190.94 178.99 432.51 106.08 129.75 173.51 96.41 968.57 586.99 927.53 548.9 677.22 588.96 1273.26 568.96 742.85 98.74 216.52 350.04 976.88 159.3 117.81 364.14 323.76 314.45 239.02 359.2 585.5 256.81 2222.54 2443.07 2251.69 2328.27 2002.19 1901.62 2426.37 2155.33 2309.84 Leu-Ile-Ser 1143.85 27297.43 12749.96 22124.43 2207.6 12723.6 2531.59 5952.38 4098.19 6897.4 1430.93 4251.31 1550.71 1836.48 9650.56 1317.47 6180.97 6801.14 1525.79 8840.06 2619.42 2331.86 731.98 1218.86 2179 12144.93 1679.97 3023.03 11343.24 1343.19 8304.41 8568.88 7990.34 5954.16 3595.68 1857.31 898.63 11042.34 757.74 3052.05 3202.13 1626.06 4258.55 1510.05 3596.93 6264.11 12529.71 3463.3 6551.13 10883.41 1162.83 12715.2 3597.6 5936.69 1342.32 6979.32 2209.15 13940.65 2336.37 15207.38 5719.64 9874.04 6868.26 11137.95 4543.57 1567.24 8679.09 890.68 1191.55 2714.24 5390.47 4548.46 2590.18 27530.95 1337.59 5726.03 5518.11 5243.55 4392.47 5514.42 5670.4 5579 5751.19 5678.98 Thiorphan 980.4 837.8 4284.55 2870.32 145.71 7928.75 438.76 649 350.29 643.5 191.74 220.82 893.16 127.51 1487.81 360.95 1018.44 483.2 205.89 852.83 439.49 7774.18 372.32 1190.65 390.7 381.38 242.28 1022.56 813.07 390.45 811.93 153.44 587.89 2156 1348.09 402.01 369.66 10720.39 552.42 705.32 583.34 397.66 530.38 581.17 1233.31 222.77 419.14 1127.37 325.4 402.43 391.67 1374.79 502.11 617.68 896.68 578.59 7208.48 7343.96 287.2 7146.68 1080.44 1361.49 693.1 958.74 637.97 601.94 547.07 689.8 236.4 335.43 541.45 743.58 667.48 2941.93 437.74 4866.2 4785.43 4792.14 4731.48 4758.17 4784.31 4700.79 4691.68 4692.18 Ala-Phe-Met 2969.57 499.15 1313.78 602.44 1186.58 3747.05 2365.95 6958.49 5992.19 4311.6 2804.26 5921.35 3565.18 2055.79 2654.55 5383.28 1735.32 1950.35 2888.86 7943.7 6219.3 1414.07 1274.83 375.09 1141.76 1731.81 1994.27 5134.83 2173.99 1823.92 5727.35 6714.98 2307.54 1042.94 1454.4 3936.43 1084 1022.67 1618.05 680.31 10866.88 9076.66 766.04 1338.11 1710.21 1098.27 770.53 1361.41 2861.94 4245.13 3128.98 2962.48 2933.57 1961.53 633.2 475.4 852.59 292.94 1164.59 1519.41 1998.4 1685.97 2227.34 334.84 698.83 1862.2 2299.21 1482.13 2344.27 1804.28 2225.28 692.97 1292.7 1584.62 1184.87 2864.47 3346.26 2832.14 4103.7 3479.5 3526.97 3507.16 2766.79 3158.98 Lys-Cys-Gln 13194.43 12865.69 2172.07 2823.13 7781.66 6968.33 314.46 10367.18 11055.55 8232.86 2365.53 3117.44 1376.91 2578.53 25168.91 2416.18 1925.18 4897.32 5366.64 6418.72 1722.42 6631.5 1030.19 2477.8 16771.07 16777.39 2737.18 3473.04 5357.54 1703.38 4881.37 4080.84 2556.55 1294.53 433.33 3682.1 7876.44 17349.71 577.53 3020.98 2554.02 10079.88 1784.6 2029.92 10192.79 2702.4 4256.2 2568.31 567.84 2922.25 2020.19 9695.41 1051.16 2676.74 7147.08 7504.71 1912.72 374.76 4863.35 5648.49 1071.06 2100.76 6682.71 3132.27 2826.85 13028.35 17778.5 948.29 1295.27 11897.33 6507.63 5263.06 2813.55 3289.86 2020.14 5555.41 5375.46 4872.73 6211.81 5866.35 5263.86 4812.77 4763.33 5134.77 Dicyclohexylamine 655.81 2152.06 652.46 1215.73 3501.06 775.33 536.07 3202.03 1904.95 1797.74 457.27 1215.96 1474.2 943.18 3511.04 2559.94 3336.58 6738.73 2802.43 557.32 2162.82 1697.19 1312.37 1843.34 2017.36 1618.02 1490.1 713.41 2709.84 1753.56 3004.6 3155.38 688.33 481.3 483.62 2991.29 1678.1 796.4 926 1184.65 4637.29 4610.68 907.33 898.39 2653.24 630.05 4593.17 2126.36 1766 3079.6 1655.25 1366.47 836.59 988.48 3493.62 3483.45 1018.07 788.46 2583.72 919.18 752.18 741.39 2629.35 641.91 698.03 1888.57 653.92 647.82 2439.44 3213.9 907.86 1943.45 669.93 1208.24 873.79 1906.43 1857.17 1858.12 1953.99 1940.72 1301.3 1941.61 1945.91 1891.38 His-Ala-Lys-Lys 2610.27 2142.81 1432.84 1293.99 423.53 3519.24 1770.28 392.55 1899 3231.07 2126.46 1042.13 775.55 3663.3 637.99 2509.05 1116.68 1688.27 3498.59 1899.61 987.3 894.15 697.45 1419.19 1092.52 1692.48 797.83 1517.98 1782.99 1044.15 2803.07 1943.72 3368.46 3915.55 4536.11 2146.74 2629.13 3563.71 2229.36 2618.88 5536.57 2538.85 1814.34 4114.7 3397.74 3839.63 2711.53 865.65 12584 8685.71 3899.19 5583.64 540.61 18851.12 4082.49 3046.63 713.36 2162.36 2476.89 685.29 2354.36 3343.07 3429.83 1529.6 1103.68 1756.88 2088.23 3632.42 1747.05 2008.3 2271.45 3128.33 5715.62 5156.43 5890.93 3729.11 3560.72 3801.39 3564.27 3452.22 3776.8 3819.72 4019.91 3458.84 Lys-Arg-Asp 5433.24 3698.65 2333.76 12017.52 10691.8 3462.09 20009.81 8036.98 6845.18 4708.12 4386.45 10375.72 20651.85 7886.54 8347.13 7579.94 3604.69 7177.5 14455.69 6707.38 3033.83 899.89 8151.56 10480.3 12318.6 4128.52 7894.31 11558.25 4718.98 3350.07 2965.6 8889.04 2255.89 13634.33 11209.62 9073.43 5345.79 2235.32 10420.09 9603.96 2945.34 3166.01 9811.38 4508.49 3760.88 21910.32 4600.7 5543.82 13901.43 6526.63 16018.3 5118.59 11343.41 25532.91 6230.12 2954.14 5254.23 6052.11 1447 5487.27 5693.98 6874.86 5986.83 13945.87 6862.37 7922.73 2121.4 6093.99 5749.02 6281.69 4788.6 3577.91 7345.64 13616.05 14543.85 8038.23 7879.06 7971.96 8058.06 7972.46 8060.78 8144.15 8057.86 8058.09 Ser-Ile-Leu 16849.16 14836.75 5691.34 7147.35 15375.17 3472.79 18180.97 6830.09 5266.36 5820.45 21342.44 13444.65 19816.51 25290.04 25187.68 17996.62 13155.55 25600.92 32259.89 38956.09 15012.09 1865.51 8300.15 11953.87 8265.92 8605.92 10950.58 15598.74 21631.58 11137.02 24296.87 55173.78 1955.37 7226.61 2890.35 10056.96 9295.72 3410.78 3623.62 6153.92 32784.36 10834.44 13989.29 15764.53 27352.29 24090.61 28752.87 18858.33 5423.97 37982.81 6710.77 13046.89 8580.29 15428.44 9429.21 18930.49 4320.24 16996.44 7129.42 6303.65 1989.2 3658.26 7208.53 5173.46 6064.44 13911.59 27025.17 15450.18 18580.72 11120.06 9932.9 2646.28 5962.03 9097.63 12742.98 7550.04 7550.99 9078.64 7711.6 8235.38 7651.75 7572.17 7539 8008.09 Tyr-Cys-Trp 5072.89 858.49 1068.34 9189.3 8128.3 5602.6 10042.97 11484.13 3342.66 2389.67 8975.41 4172.85 9541.16 5542.15 5986.7 857.97 4100.66 1063.77 4327.11 6791.64 7573.92 2801 2788.67 861.87 5139.33 5540.99 4583.75 7426.3 1453.4 4297.76 4181.75 6891.18 4704.22 6875.57 5062.32 6497.05 3466.84 3197.72 3951.4 3531.53 9874.8 4076.6 4360.86 4232.54 5446.67 5030.73 6833.96 3378.97 761.16 5076.47 5502.09 4300.8 5446.2 3379.15 6545.71 5281.29 2675.77 2686.42 2572.2 2192.73 5194.88 2978.71 4489.88 4693.79 5464.55 7261.87 6229.9 2931.05 4664.39 6155.44 5207.58 4923.72 6745.99 4083.5 7047.45 5432.41 5359.41 5383.75 5694.89 5585.42 5319.4 5585.39 5334.27 5575.19 Lenacil 2829.1 3687.03 5673.89 4746.41 3968.1 5570.95 10496.7 3596.01 1439.64 5711.5 4103.67 7902.26 10125 7663.95 4431.65 10071.38 8446.55 1256.93 9855.7 2301.93 3897.54 4195.52 7264.03 7327.83 3907.24 2534.49 6879.34 4551.49 4103.02 3294.56 3488.78 10402.47 2931.75 10134.74 7868.04 4786.29 3660.18 4031.17 7034.91 6315.01 3717.72 4632.69 8930.09 6952.66 2393.15 7337.04 3682.19 6581.06 6611.54 14366.68 3850.19 4723.81 8426.15 13089.83 2548.83 4594.82 6164.19 5530.45 3817.25 3169.67 4159.62 6724.13 4706.92 9115.14 6967.45 4725.25 2501.2 7375.93 6872.49 4213.42 4226.76 6313.8 5619.64 10303.9 10020.01 5612.39 4996.95 5157.18 5094.88 5044.27 2700.89 5364.96 5297.7 5193.3 Phe-Val-Trp 2651.6 1902.67 5129.18 5066.65 11608.75 9711.64 9331.97 6014.61 2711.09 3926.02 3388.01 2859.46 3812.24 1010.74 3130.28 613.95 1488.7 2553 4729.52 1348.08 6352.64 33973.41 2095.28 2305.21 2252.73 3331.67 3304.82 4209.49 4052.47 3663.01 4075.14 856.28 10923 2732.22 1535.32 3351.78 5715.97 2489.35 418.15 2027.82 2094.09 788.78 1585.52 1027.45 5445.63 2555.15 2431.91 3806.2 2846.56 4414 3882.18 4547.17 2468.77 1836.83 2560.72 24122.09 466.44 1616.89 2440.07 32971.15 2495.02 2795.21 1119.41 2121.79 2319.25 3931.88 3852.77 828.88 2481.88 2308.39 6150.24 2462.6 1589.13 3162.27 2037.24 3745.1 3746.96 3857.7 3795.89 3485.62 3761.71 1584.58 3423.35 3803.49 His-His-Ser-Lys-His 1747.44 3947.68 1438.31 4861.68 1276.52 2467.46 1901.4 2758.6 891.91 1484.46 920.79 2159.91 1331.65 2622.03 2345.5 1358.7 2273.63 2223.11 3327.72 3089.79 794.73 1708.64 1891.16 1496.39 1102.62 2852.27 1857 1743.18 1357.86 1736.26 1392.79 2303.08 1672.44 3440.56 6496.95 2443.28 466.92 7538.04 886.92 828.59 5786.95 1680.14 4385.52 2521.03 2331.73 2551.97 7942.65 3499.9 2399.92 4391.4 1750.08 7888.89 5566.33 8698.91 1462.97 5388.55 4106.93 2207.61 2653.35 4066.27 2243.2 1442.05 2569.55 5022.15 5215.93 1959 2331.44 2554.64 1438.4 693.72 1007.03 2957.43 2345.21 6571.35 4520.3 4351.65 4626.01 4222.02 4878.95 4632 4255.16 4722.06 3984.79 4660.31 beta-Sitostenone 18712.42 21105.85 38041.61 38045.03 138133.62 69356.55 23426.38 30739.73 35839.26 20420.35 29645.39 54605.76 133713.04 11647.88 60068.79 148859.5 70781.87 43115.4 84054.33 87476.55 82101.78 50145.49 30424.14 52112.04 84008.82 32204.19 17364.85 34937.34 89665.64 54506.19 139122.69 157283.41 31201.08 86342.79 96680.88 65783.77 33722.93 75207.41 52971.83 37789.69 114827.36 135479.99 40462.16 43030.61 83095.11 137142.3 38381.24 46813.85 42927.31 103874.74 99517.05 51995.15 88934.38 85274.91 61306.19 27585.54 84171.1 84228.01 47317.43 52075.85 106686.72 116658.63 29736.19 65593.72 55557.08 52748.24 126145.21 32485.74 35885.09 60190.57 41089.22 69703.47 207620.33 122318.2 96951.37 61628.78 60684.93 65873.24 57305.97 63584.8 62921.43 40461.41 63428.25 63386.33 Tyr-Ser-Glu 1170.39 900.95 392.79 975.61 32495.43 1830.45 3591.41 604.81 571.84 685.44 1042.55 1377 1492.08 233.8 1718.64 2125.35 1609.91 288.11 1283.26 445.44 2134.52 1436.64 436.61 1718.53 300.7 1688.43 1447.52 707.75 397.24 307.72 1856.4 1521.38 1042.9 338.76 1147.69 1397.25 2110.53 864.97 513.97 794.94 2010.85 2644.89 496.3 672.13 2687.64 954.75 1091.24 1215.67 1746.7 688.95 1550.5 3065.7 296.35 486.69 1468.86 500.85 299.91 845.73 840.25 732.68 808.49 1494.58 1409.35 293.74 1151.93 1946.25 733.7 601.3 546.33 1761.07 1517.06 1469.89 1096.7 1342.62 381.46 2558.36 2781.17 2318.65 2933.8 2571.36 2899.5 2739.89 2498.35 2840.67 Met-Ala-Gly 22963.02 25308.92 11654.41 16284.43 29745.91 26051.51 20067.39 26682.41 25469.2 19494.63 14747.47 14137.33 11189.34 14304.84 26094.8 19917.64 13827.11 21507.29 23000.44 32471.2 20700.89 16607.89 13240.86 17859.93 25739.14 26020.55 25292.23 17746.38 30729.29 16085.53 3526.1 33048.18 13532.99 19466.56 18223.54 23968.68 22847.48 16604.18 22455.58 18331.55 36678.39 37491.21 20070.26 14059.91 24153.87 18546.14 26798.6 20051.5 17486.2 27769.49 24473.91 22019.97 17692.08 24716 16644.01 23209.89 11051.76 10679.6 21846.97 13539.46 12652.54 14230.8 19296.25 21717.72 11558.06 27302.58 24800.29 15873.89 14949 21320.72 21533.55 22665.89 13808.04 26169.99 20422.33 23712.29 25042.08 23059.9 23852.57 23215.1 23390.56 23730.55 23062.63 23215.74 13,14-dihydro-15-keto Prostaglandin D2-d4 3691.9 6660.39 1158.8 57347.39 134419.31 15626.19 4260.61 5490.63 5489.87 545.34 4037.5 4950.16 7941.01 2980.4 8017.19 4608.2 4082.19 6596.15 2263.41 3143.78 2986.79 945.63 2614.57 3626.09 8096.02 1928.85 4447.67 754.97 4515.56 731.41 2028.38 5410.74 1837.4 6766.81 3367.9 12590.88 4176.12 3896.01 3648.72 4064.55 71310.34 7192.59 3584.71 3358.61 1509.89 44664.42 18320.5 3007.76 5911.14 1745.16 1831.27 1342.13 2975.52 3992.89 23570.5 8998.35 621.62 1224.74 6461.57 394.97 2939.58 3876.43 2970.34 3422.18 798.48 9560.76 3922.65 4105.79 9214.18 9046.81 5823.46 563.49 2716.6 4131.06 4920.59 8282.48 10190.71 9830.67 10872.05 9971.84 8440.22 9576.63 9008.04 10044.51 Leu-Phe-Phe 15662.88 1817.82 802.47 1996.85 24172.4 12674.51 9776 16558.12 18137.98 11888.37 7474.39 13957.06 456.12 1551.35 7588.49 2139.04 6722.86 1738.01 2774.56 8167.3 17486.25 532.09 7246.89 7774.45 17536.06 15838.13 13152.12 7877.16 18622.36 11431.1 4605.05 29680.35 8136.83 13606.28 5959.01 10860.88 15152.75 7915.62 4645.89 6113.67 16618.54 26907.31 6639.94 5185.63 19143.68 7969.07 19651.08 5521.52 20877.02 26677.34 18889.44 8219.61 7262.69 11186.15 14189.17 9529.39 3058.75 1844.02 12406.58 1681.83 4109.4 5208.24 15756.78 6478.91 1001.4 15003.92 12903.03 9243.2 6348.82 19818.2 15273.98 15273.87 8898.37 6774.53 10351.33 12563.52 12157.56 11990.08 12269.36 13046.31 12138.26 12042.14 12083.08 11806.13 Asn-His-Gln 578.31 372.02 248.44 1259.15 9754.18 12603.36 6515.9 287.76 245.88 736 178.4 520.38 192.61 669.77 752.34 994.37 900.15 908.8 1121.19 624.52 923.38 598.67 242.65 486.48 587.95 2347.58 538.41 203.66 919.95 291.67 525.39 630.59 428.76 240.05 618.13 861.01 790.5 723.95 635.54 478.13 3658.25 1621.82 644.27 534.42 1163.73 567.06 313.49 639.03 546.76 1730.19 1011.41 460.81 476.23 284.14 915.15 392.08 581.99 252.53 581.93 980.92 452.1 663.78 708.43 467.95 299.9 266.71 922.12 722.39 174.68 638.56 346.66 706.67 300.41 505.1 993.43 1956.34 1429.81 2097.69 1973.63 1836.48 1760.25 1783.67 1988.75 1821.2 Asn-Lys-Val 264.86 547.13 725.26 4206.49 2490.86 13343.38 16488.59 374.98 631.17 885.29 560.63 263.9 540.89 574.93 204.97 1458.38 439.52 759.73 709.24 210.24 265.77 989.61 663.69 558.73 678.36 871.58 171.16 420.14 299.16 163.76 157.14 244.36 762.18 166.66 168.25 684.57 704.78 1279.72 177.67 533.5 8376.45 1127.83 525.82 558.92 391.09 652.49 671.31 638.31 649.69 951.86 713.5 252.8 164.11 618.65 727.68 539.43 943.36 459.37 203.5 1981.66 584.18 825.25 239.8 546.26 488.48 384.72 690.46 230.71 364.68 545.24 564.37 473.3 375.73 265.63 1801.66 2233.65 2091.31 2061.18 1576 2168.2 2104.41 2178.1 2163.65 2149.53 (3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione 7972.54 88759.43 19517.6 23737.83 96090.51 52893.91 31603.31 184748.19 183985.62 138714.11 36395.98 75869.47 47674.69 54261.56 86936.93 62549.68 36087.94 1010.15 103992.17 91596.42 121225.15 1274.54 33801.11 1889.17 145250.9 143033.33 80456.87 5420.34 1405.08 91030.79 172074.03 114511.37 61762.4 44539.76 32863.57 190267.11 115150.88 56074.88 53855.56 60555.43 138990.4 194124.13 34826.12 39945.35 161182.66 51657.92 174053.98 71777.47 159954.58 135800.16 108534.42 52897.28 31652.5 48635.84 97502.58 58756.7 14627.76 16469.34 90262.72 30111.9 23019.63 17348.81 50741.36 39272.51 46880.68 119432.64 63067.27 92826.66 98120.33 127965.63 142391.16 94819.05 69405.48 40581.78 43995.87 90266.68 90606.58 89806.55 90239.5 90358.22 90610.58 90548.57 89820.45 85934.54 Trp-Val-Arg 9761.93 7887.84 10232.4 3538.02 31446.49 81188.86 3841.05 7733.64 2989.82 4051.43 1985.24 5869.03 14965.7 5973.14 37758.5 1709.14 6521.61 20497.6 10220.32 16026.76 12856.94 13367.13 459.18 4756.01 16362.82 15839.92 1674.01 1097.2 23264.01 1326.5 4856.88 2637.63 2104.67 10106.56 5250.63 5579.92 11758.67 22514.84 4077.5 2213.75 8349.79 7876.01 5606.52 2139.91 3556.23 1520.3 6421.42 4170.06 5849.5 14367.29 19799.56 20237.79 7235.18 4875.39 18185.6 50520.33 27309.33 11809.56 6657.15 7125.28 4521.97 1233.41 13570.53 5345.6 6351.81 9822.47 2839.26 3947.08 1391.83 12141.1 4460.49 4793.35 2013.14 20542.25 4406.11 16925.68 40301.29 17447.44 10060.47 19357.81 24946.2 29163.63 24991.18 16897.84 16826.29 33598.68 25966.51 24089.67 28978.78 25323.7 26325.51 19742.35 25534.48 21793.15 29405.39 22860.23 20468.85 25923.12 22244.57 20202.31 8571.3 7433.38 8351.53 7584.69 9522.46 8550.76 6142.64 6321.25 10414.26 Vitamin E 7380.01 7278.65 5581.19 2873.13 6496.43 21018.9 4442.07 816.1 10936.94 9653.7 350.17 7151.27 1405.98 3530.92 2003.96 2741.9 1827.12 3569.5 8838.29 2114.95 11915.91 3517.5 3298.59 1454.88 1360.14 1596.71 1398.86 1839.51 10695.27 14134.82 19179.79 23414.84 3563.51 2333.6 7109.94 6503.04 1536.22 597.23 2630.74 1236.7 6454.01 473.92 2547.6 722.24 883.04 1477.95 976.25 12235.59 6306.45 36337.38 18172.1 9667.93 2515.67 10161.2 5530.91 1245.07 691.3 1700.11 2134.45 1013.49 1115.03 1206.57 1459.67 3453.9 12703.69 2185.54 19453.74 8661.96 1283.48 2727.49 5466.41 2316.87 1876.47 476.28 562.38 2206.16 1858.61 1551.36 2091.09 1700.28 2045.67 1696.3 2525.16 2055.45 1503.53 1858.45 2297.56 2285.66 1697.51 1798.03 1981.48 1986.7 1972.03 1754.86 1858.64 2717.24 1897.9 1541.59 1666.06 1969.1 3316.52 2762.58 2574.18 3665.58 3464.32 4547.09 3763.93 3331.95 3888.8 Ala-Asn-Gly 3256.41 3186.37 634.27 3733.21 443.53 4591.97 3836.51 2860.63 904.51 10212.67 1230.76 868.87 8291.53 8825.28 1441.85 2713.78 1737.4 1429.29 5117.16 5572.58 4037.26 89044.47 1339.37 1594.72 2633.47 2118.32 1887.28 666.84 4768.23 8762.96 2125.22 1637 1963.9 1117.95 1185.24 6591.03 3346.4 1520.61 1674 1177.22 11675.51 2765.01 1331.07 7951.66 2837.07 1329.31 1216.38 3488.04 3170.86 7211.43 3043.95 2451.99 1093.72 357.02 2181.8 1894.93 1785.31 606.86 7303.71 1492.84 1009.06 23645.5 1328.98 951.79 481.81 2730.97 7425.04 2582.83 9181.72 3322.94 3194.04 3477.74 875.25 392.74 998.84 6233.6 6135.85 6275.1 6249.26 6276.72 6131.73 6543.61 5968.8 6183.05 Val-Cys-Asp 3941.2 3332.95 14106.64 6272.49 652.29 15190.14 15577.79 3976.61 22333.67 12678.95 7066.94 645.44 7633.99 2986.6 7795.42 4485.07 13487.69 16308.98 4625.73 19851.96 692.92 1226.46 5876.36 12005 22542.03 4996.1 13092.26 11415.91 2434.77 1525.4 5461.33 5237.36 4299.11 2931.44 3796.26 1080.97 18148.52 3541.41 5820.97 16647.37 14816.11 3433.84 3017.26 9487.79 7496.42 8025.96 14520.05 4793.23 8319.6 7010.35 9105.61 13600.04 18692.27 25956.14 18238.13 5643.43 20506.33 22412.54 11157.89 6712.96 14505.98 6353.39 9621.09 17508.39 8961.57 3978.77 5231.52 3567.91 2403.67 7353.4 16226.25 6250.92 9353.48 6047.49 4557.38 6981.05 6051.7 6397.01 6789.97 7845.14 5981.65 5185.66 6815.06 6259.06 (1S,2R,4aR,6aR,6bS,12aS,14bR)-1,2,4a,6a,6b,9,12a-Heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,14b-hexadecahydropicene 21080.49 28628.84 48717.91 49262.12 29800.55 47655.75 23601.14 21740.21 32393.89 18263.66 10548.8 1500.03 21618.46 24470.45 23189.31 43049.63 18607.94 20234.91 44242.52 41865.89 31580.18 21108.55 16273.27 18697.64 21176.3 29958.94 16822.62 31395.87 39820.34 33601.86 22647.24 20091.72 16384.55 31291.29 34129.3 23334.85 21652.65 6794.67 18565.59 12672.22 24188.44 29419.82 35383.82 16645.16 28795.41 16329.3 35363.95 47289.37 24554.88 31732.68 12605.56 16722.12 32080.45 28539.27 19761.37 24275.08 31275.56 23111.05 11956.2 20999.45 19096.59 9863.57 32971.18 49846.23 28252.28 26681.67 14924.01 27290.35 14109.52 22845.42 16555.28 24969.78 12970.59 28668.2 33882.33 24656.45 25008.61 25856.26 24658.98 24653.48 24908.47 24727.36 24847.49 25043.15 (1R,3S,6S,7E,13S,16R,17R,21S,22S)-17-[(2R,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid 249.34 765.81 10838.16 271.37 3685.53 592.72 478.79 221.82 8248.84 5676.09 310.26 223.62 3516.63 7797.92 595.62 13210.21 12016.91 407.22 15151.5 226.45 931.77 11593.59 7922.11 7545.43 2472.05 9034.77 484.41 6610.95 5893.77 6287.95 806.05 8635.24 794.96 18645.35 33204.53 353.1 317.69 6287.21 2030.42 10961.65 5135.39 821.73 20903.62 31598.63 2478.98 6547.59 37801.88 40536.4 14848.85 8767.66 356.13 17100.19 47688.02 32109.7 399.86 35829.29 4916.07 37283.59 462.16 21766.33 22930.06 16513.82 923.71 35911.51 51485.35 579.47 1244.42 13276.78 12157.9 10233.9 7106.74 10132.55 15333.72 44740.87 19241.48 22939.79 22870.82 22863.15 22907.08 23493.59 21024.93 23457.44 23039.74 25455.84 Thr-Ser-Thr 1975.28 5272.86 2526.16 1361.13 5432.78 3378.21 1253.17 9810.54 4824.97 3651.74 3477.41 6204.14 6739.15 4562.9 7415.4 3482.85 989.53 13387.62 5500.59 8042.87 5664.75 4703.78 3461.14 2695.72 2816.16 7919.96 1289.16 3593.36 2701.29 3576.7 9692.75 13660.07 3470.55 3065.75 2609.56 6798.37 6114.1 3595.34 2546.62 2535.95 15936.25 12790.49 1855.09 1683.91 12695.76 5346.22 7610.65 1240.43 6853.51 4671.51 9201.71 6740.3 2177.12 2058.69 2320.68 2753.46 1003.69 1286.98 1662.6 3336.68 2185.53 2705.38 4980.32 1321.84 1325.98 6354.49 9019.66 1143.29 1496.29 7446.99 3320.88 2585.12 3128.98 1686.31 3124.5 7218.72 6951.87 6972.62 6899.89 5426.02 5977.69 6417.82 8579.75 6427.62 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 13315.92 2429.68 17927.59 11182.67 11377.81 1834.41 12360.02 7815 8172.02 8365.16 3182.18 6715.55 7917.38 11106.74 11379.05 6523.35 31010.82 11553.78 8443.97 5845.28 14473.59 3210.1 2629.39 8228.34 7795.16 3106.24 2070.81 7587.37 13527.35 2318.01 5407.74 5027.18 3293.97 10866.99 6686.47 4159.09 9190.68 7133.77 9497.02 13047.77 8916.17 23969.9 9893.08 2403.88 11233.09 12848.66 5945.75 2827.92 9038.22 6554.45 26788.37 8194.67 16020.15 31401.08 26271.19 1764.46 10020.91 4604.27 8985.04 1475.2 6965.72 1053.21 16000.71 13090.5 5321.64 22237.07 5277.07 6034.12 6099.02 7961.73 4763.39 2235.68 8255.58 14996.44 12798.68 7521.16 7375.37 8803.69 7508.1 7402.5 7120.14 6908.68 6850.99 6961.77 Ser-Val-Ser 1074.16 726.02 1316.6 12267.84 126242.02 70535.97 26823.99 61466.24 43984.2 36378.17 19352.13 49305.11 72271.37 21669.78 37703.38 76807.91 18919.42 51663.92 106348.22 59814.86 50524.64 35765.06 24365.36 18677.95 43703.1 52500.67 21772.96 22324.86 57564.94 70424.9 42810.88 165696.97 26099.71 33539.95 19738.01 40189.79 39999.11 18901.19 20043.21 10885.57 48504.28 92077.33 21038.97 16899.12 54189.75 40679.85 39094.95 30490.86 79119.48 89652.68 75906.89 28985.74 23956.13 18181.77 41104.39 21893.17 3483.93 6392.66 46913.84 20473 10649.61 16083.98 31549.93 24568.63 15327.13 50506.57 32553.47 23441.55 3411.24 42659.89 28862.01 36928.96 27183.13 17625.64 28024.35 42254.03 44155.05 42043.47 42321.52 42035.18 42419.04 42180.78 42067.31 42032.21 Pro-Pro-Ser 22019.3 18635.67 9045.59 6513.32 25677.63 18229.39 10465.3 35130.45 38673.42 20858.29 1772.19 9464.38 5572.79 3878.61 28676.19 9249.78 6381.91 24981.39 16444.22 34870.93 28867.86 29873.91 2708.51 10433.37 28225.54 29084.38 9259.38 8621.79 26725.01 6423.63 21953 22874.03 13932.49 11610.68 8305.3 9392.73 27416.93 15555.89 3976.6 11082.54 18768.22 33101.43 4095.52 8395.32 27740.78 9712.68 25841.25 11680.94 11763.29 4012.05 20172.15 22744.79 10117.79 11759.46 14051.92 41150.47 6382.25 826.28 21509.63 6000.78 1940.63 5564.59 11266.66 1658.53 7217.25 29161.76 28942.57 2285.33 4723.56 27152.84 25077.79 9340.26 3069.99 14002.42 6542.74 19530.03 19821.17 19152.01 19749.32 20238.24 22442.73 18632.76 19113.51 19100.57 Glu-Ser-Leu-Glu-Lys 6582.19 850.61 13651.73 7382.25 9793.59 25970.99 2040.44 8096.14 12605.38 7236.63 6013.62 892.42 2310.56 7439.89 13896.84 10356.74 7476.4 1839.67 14380.21 18285.19 12768.55 15462.08 5394.5 6850.46 12043.51 19994.86 7016.58 1164.12 20607.47 5206.95 1850.3 3234.87 13965.88 11217.58 11435.48 1329.45 7092.32 18484.1 3444.09 6773.59 9240.07 9771.61 11954.78 9659.7 11433.59 14082.94 18380.82 15494.87 6020.1 9589.77 7232.37 19353.28 10392.32 19247.07 1236.15 12590.01 12704.65 13857.9 16392.46 32464.6 7044.55 7571.65 4986.06 10591.52 6372.03 8166.29 8518.07 6318.23 10108.33 8948.78 12714.74 6905.73 5071.48 18541.78 9875.02 11276.64 11621.15 11413.82 11574.81 11411.93 11109.96 11417.73 11174.71 11280.35 Ala-Ile-Ile 70847.9 52404.02 14256.46 59197.71 243062.7 50599.72 2171.24 88348.95 35282.3 25830.35 15189.38 16862.1 39191.69 17726.39 57922.53 16885.41 18412.76 47158.86 38721.23 21974.76 30714.76 20162.71 2011.42 27763.47 102849.46 49485.33 42224.2 20048.66 50307.08 8267.21 37966.97 41223.92 10114.43 3896.45 23345.33 107168.78 50840.58 34562.38 16693.29 17966.07 63658.24 167911 26363.7 18468.26 30589.73 38077.48 110183.89 29762.45 6107.59 23686.4 26159.93 16080.28 13570.12 16690.76 93863.41 49050.75 4361.45 11118.84 58062.56 24780.98 15566.32 13694.56 32469.6 14429.41 12699.6 66850.66 23402.02 30078.81 43051.51 86944.6 29234.12 42209 17311.5 28747.49 32133.92 28392.66 32920.07 32990.7 31788.96 31060.29 32930.53 29169.58 32909 30716.53 Lys-Lys-Ala 556.38 3145.55 1820.66 3028.04 11115.01 2959.26 3425.27 9922.25 10118.44 2382.94 912.17 3222.56 1345.83 1682.6 10159.07 4093.81 1845.17 5938.73 4118.85 7634.41 2935.41 2753.5 622.98 589.87 9877.71 10133.44 2099.65 1408.75 4369.76 522.14 573.87 3650.37 5670.74 1867.23 1662.96 3966.98 2045.7 800.29 1488.33 3369.59 4326.41 1784.34 5544.27 710.48 3382.6 5298.29 3960.51 2495.28 4426.8 3695.62 1661.79 1691 3625.59 7498.22 5406.04 3832.55 2334.74 2308.34 3622.15 4796.8 1652.96 1544.54 5129.03 3383.56 3098.9 3570.71 2428.3 425.35 1705.08 6466.53 6407.16 1062.41 2123.56 4708.6 2466.96 4768.45 4151.6 4132.35 4143.73 3615.9 4567.19 4329.15 4357.36 4111.62 Val-Lys-Asn 3686.49 4550.09 2311.53 3789.47 11067.54 16828.94 6818.13 10704.82 8210.72 895.24 2292.47 5797.49 3443.11 3792.55 31381.44 10462.32 3666.76 8963.8 22837.94 17498.47 5459.1 2679.45 1941.36 5237.15 14322.33 19895.5 5218.13 1874.53 7718.75 5651.06 2527.96 5379.86 10447.49 609.94 877.36 1442.38 10270.74 3962.01 2087.57 1863.68 6614.45 6673.92 2163.18 1108.28 4144.53 9180.52 4575.04 3241.52 3347.1 2315.78 2715.53 1132.19 1171.34 3614.93 3239.5 4334.34 2625.01 1985.21 4664.26 4037.2 895.21 1137.58 7648.69 6936.22 3922.92 1717.98 7522.59 2274.22 1844.75 13902.53 10468.96 812.6 1218.51 2149.9 2804.24 4303.43 3889.38 3917.92 3870.73 3917.54 3882.63 3403.7 3941.71 3036.06 Ile-Ile-Met 8019.49 10678.1 6262.01 7671.95 4476.48 1834.75 28694.86 12882.02 11160.78 8739.4 7573.72 3053.23 10214.14 8105.36 9378.81 9234.15 6733.72 8324.27 6024.68 12632.51 4424.87 6600.44 1693.75 7656.4 9266.9 9256.96 10009.92 8114.86 15527.73 637.54 2783.74 51054.19 6354.77 8901.91 7557.41 13287.85 9757.87 5844.14 9643.3 8335.23 18835.55 12919.85 6146 6947.89 12383.52 8517.12 12844.51 8891.69 6881.96 15618.27 7756.88 3195.63 6237.14 6575.95 8163.88 6788.03 7001.39 4507.89 8644.12 886.52 3646.27 6145.2 6458.91 7927.17 1607.29 10476.05 12703.93 4986.41 5830.42 7003.54 8811.71 7599.5 7575.62 6902.29 8669.66 10543.49 10785.81 11578.52 10589.62 10884.87 10903.34 10573.8 10880.39 10117.65 N-Desmethylolanzapine 5340.22 5742.6 308.39 1561.47 3265.28 3162.38 2464.47 7930.69 7171.98 2462.05 3604.29 5457.25 5102.71 2299.31 10011.43 4245.86 3252.28 4904.09 15176.9 17404.33 2496.63 480.61 2224.25 3157.41 6677.75 1368.03 3204.65 2905.32 4924.88 1206.13 6425.13 1533.1 6815.69 2644.12 2690.36 4877.05 8671.72 4041.42 1872.44 995.9 7976.8 7557.83 2585.91 2165.56 5652.43 1019.93 9847.36 2571.44 4064.39 3308.12 4990.18 4041.89 2820.77 5625.42 3131.78 6603.79 1597.56 592.53 2742.66 651.65 2699.99 330.77 3709.42 2681.75 500.2 9889.68 10820.06 1573.51 1293.28 5943.88 7086.79 6146.69 4481.72 1414.28 2935.6 6360.31 5907.74 5974.05 5719.05 4531.48 5660.17 6087.26 5588.96 5593.28 Phe-Phe-Leu 10056.9 9572.15 5302.14 4490.24 70610.8 28959.06 25743.31 14517.35 18692.34 16384.5 11335.83 6026.05 14371.34 8194.59 11681.56 10633.66 8344.35 12859.17 13160.2 20508.78 16018.93 11938.8 13166.41 11219.55 13035.21 14513.44 13100.37 10995.25 10135.8 12222.16 9595.06 14432.11 9172.5 17800.5 10646.54 4759.9 11116.69 13361.41 8636.65 9707.26 36063.36 15766.13 7699.13 9076.96 17639.56 7430.52 6927.15 8745.73 4150.57 1491.3 8806.76 14330.12 3991.47 16273.18 8406.38 9617.68 6750.03 6877.8 9367.02 8619.66 3676.95 11319.41 9907.1 9077.87 5607.08 11184.18 18550.13 11375.55 8568.02 11941.84 11625.77 14621.41 7187.98 9498.29 10149.63 14709.38 14516.53 14266.44 14385.08 14576.98 14456.56 14259.71 13477.65 14528.15 5-fluoroindole-2-carboxylic acid 72742.89 70771.06 78923.89 70605.25 77118.13 55738.51 27320.08 38755.54 84720.35 77633.43 15459.94 69351.88 72613.85 71411.74 70537.71 65177.77 68023.88 71752.54 81726.9 67235.56 30943.24 53390.35 60966.8 73707.14 80625.73 82949.06 79309.59 73274.01 69065.94 60101.55 62880.97 73662.24 62587.13 80240.54 72417.93 80939.03 69732.97 39637.97 73318.67 62634.31 57205.23 62000.44 70151.65 63295.77 70353.42 51532.23 75657.03 67611.68 46211.82 57450.45 57856.3 62602.65 65846.75 50323.7 24052.41 65282.26 63539.76 61900.14 60526.85 43495.84 58358.71 60645.8 62774.14 64143.31 67925.83 68709.32 57023.84 74219.54 68487.81 71706.31 63089.49 60629.71 39991.4 48723.37 60162.4 65682.72 65127.2 65104.03 64850.05 65122.69 65123.84 64804.27 63788.15 64807.86 2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside 1691.66 284.15 507.89 7563.69 2116.82 3862.32 1693.61 669.56 1187.21 582.6 252.55 2318.28 256.3 2066.63 3654.27 24466.07 20985.03 14802.54 15617.67 792.52 633.1 278.76 1989.17 389.79 458.79 1590.69 6643.14 2571.72 358.12 2359.89 913.63 509.23 823.62 2019.3 12379.2 2878.42 242.17 2345.39 432.82 2038.65 1763.03 868.82 4293.69 7208.2 2330.24 1932.13 8532.8 10773.47 876 6668.29 249.11 5983.94 3424.23 9696.6 797.08 4356.16 8400.42 5675.63 941.57 21232.59 11217.52 5242.46 522.03 11582.73 10201.35 1324.98 476.37 3187.1 6170.4 325.28 4624.64 4855.59 819.36 12621.3 6724.88 5402.28 5709.78 5755.81 5685.38 5624.24 5914.1 5373.19 5638.66 3984.36 Dactolisib 2729.28 1280.02 5633.11 5256.52 3003.76 7658.83 10150.8 6024.45 4294.61 1668.97 4384.81 1746.85 2230.25 5971.75 3595.02 667.17 3501.58 2845.35 2471.21 3565.43 1486.2 2092.89 5400.74 5617.62 4293.49 2928.68 4332.81 6369.68 2525.03 2261.76 3041.24 8386.46 891.73 6773.81 5794.57 4190.01 3006.55 2160.88 5446.8 5150.32 1478.23 3741.52 6666.88 3083.47 2427.88 7554.84 3424.35 5333.22 8044.44 5175.39 7902.31 5218.14 6948.23 9392.75 6074.75 1459.03 3297.37 3921.76 2058.94 1614.79 3516.05 4154.55 3559.25 6280.93 2670.45 4856.19 2001.75 4268.73 5421.92 4292.97 2954.17 4108.78 3706.9 3973.49 5827.35 4995.91 4599.56 4508.97 4687.64 4225.85 4263.76 4634.85 4514.73 4474.16 Gly-Ile-Lys 13196.2 12178.08 11816.98 8005.24 14082.72 10909.83 11234.62 15610.53 12199.94 10384.19 11473.24 5813.28 7517.97 10470.37 13673.22 13310.47 9464.24 7333.5 12671.86 10731.42 12594.93 7101.06 3433.79 12086.41 11092.2 13186.27 9743.03 11576.4 13593.68 12911.21 10343.61 9331.18 8642.61 15909.38 10141.92 9763.65 10403.26 10353.89 10421.77 10795.22 12421.22 10694.31 10324.41 9410.11 11563.05 7033.48 8425.77 10418.75 12680.53 8151.8 6990.68 11310.33 7566.1 8204.91 13271.56 6751.43 12883.48 9619.51 10145.11 15603.06 14021.73 15492.51 18480.97 15597.5 12215.31 16578.93 11288.9 16420.69 17933.25 12109.85 7727.13 11102.41 12535.92 17535.05 10573.68 10068.3 9721.5 9714.97 10073.74 9065.89 9768.43 10655.37 9695.05 9751.29 Methylgingerol 15980.98 13181.37 4141.11 17415.05 44528.44 60040.98 68460.76 11821.85 14059.26 12776.16 10756.62 11931.29 401.17 18727.78 12852.67 3768.03 4869.94 3706.32 18852.61 15380.17 7893.25 14326.41 6990.9 4032.42 14792.01 16689.8 12293.29 23843.59 26531.44 5093.69 17967.82 29233 8900.93 12660.83 33211.4 17762.96 7973.29 20793.47 6960.15 9515.35 41155.72 19357.68 6504.79 12344.13 20534.02 40391.83 13855.44 9816.57 9649.47 38016.74 22815.02 14324.12 6276.46 25890.57 21608.99 8849.37 4440.75 4381.31 14708.66 10502.49 5354.3 8410.86 10056.16 5939.49 4586.7 25082.28 24838.21 10854.75 27146.83 8669.06 11426.46 14619.16 3945.65 8026.47 16466.71 20625.33 20643.9 20111.34 20692.68 20659.66 20629.05 20232.34 20115.2 20121.31 Ala-Pro-Gly 6414.24 3988.43 5294.1 7602.38 3286.58 3906.02 7361.79 2210.6 3600.12 5350.42 5563.5 4527.34 5762.2 5178.22 2817.45 8293.87 4880 2846.96 7968.16 1480.69 2107.96 3910.68 4171.04 7107.31 858.64 3994.44 7926.29 8623.44 4383.93 4882.39 4966.08 11104.75 1067.16 8573.89 5871.14 5470.36 3586.29 3958.01 7101.8 7380.82 2315.9 6923.63 7305.72 6296.37 10636.88 7420.99 3005.35 8083.89 5623.61 11422.4 3139.96 2659.96 5898.3 6851.33 4508.36 4096.77 3581.21 4751.25 3424.09 1979.83 5106.04 4886.39 2386.32 6427.92 5018.22 2328.1 5276.02 5925.4 6085.21 3394.68 3258.62 6681.93 5672.24 7812.68 7523.55 5955.92 5685.28 5956.48 5756.99 5348.58 5602.6 5589.71 5606.03 5069.46 Phe-Pro-Asn 1381.99 767.25 4797.14 5397.51 2276.38 2570.5 1166.11 1331.09 1679.41 1015.4 1632.85 3295.15 3285.28 541.09 1200.04 1885.43 1795.68 1534.73 864.16 1321.73 1266.54 687.54 3669.76 2862.2 4106.29 2432.52 2116.35 2042.79 1040.71 881.2 1966.97 1546.49 1361.99 3264.38 5409.88 1693.42 748.5 498.79 1239.57 6349.58 1863.95 1067.11 6623.81 1389.37 1164.4 2210.76 1878.99 3341.34 6132.27 1018.34 6763.57 1218.58 5502.75 11919.98 1504.7 1657.95 2411.76 1719.3 889.68 835.69 4906.72 3367.41 2297.63 8695.92 3795.37 3907.78 1018.04 3019.07 2390.5 4069.16 2376.2 2470.67 6410.13 3252.28 2165.1 2380.98 2302.59 2528.6 2287.53 2223.28 2436.06 2443.33 2638.76 2230.41 His-Gln-Tyr 13173.6 24948.47 13502.72 17691.26 9916.6 8173.28 19124.72 5511.05 14970.2 1192.18 5726.53 1122.35 3724.58 9372.8 3875.81 13736.31 20898.62 1582.72 7676.84 7023.06 7793.23 14965.91 1400.43 16666.3 13920.91 14750.19 5496.82 9984.45 9192.33 10839.38 4977.85 14915.71 7944.01 10960.52 11299.76 3259.5 11748.14 5854.11 8616.66 12980.9 5166.19 5793.71 8120.95 10346.97 11320.96 7118.73 1747.72 14754.97 5802.92 14007.07 1450.53 13235.59 3147.85 4354.19 2803.19 15393.86 12603.66 4135.19 10544.61 3819.06 17577.91 6173.74 5542.29 7438.54 9937.68 8122.03 15091.17 6873.34 14445.49 16215.47 11629.24 11536.53 5763.95 11119.05 16354.61 10107.34 10023.68 3755.18 8934.62 10100.53 11216.29 10040.2 9642.72 9137.11 3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol 82788.07 82658.06 41128.23 56004.45 40209.86 197804.86 924.21 8385.22 88051.25 58711.02 512.33 64405.35 75904.98 182206.97 49534.6 64352.46 53252.87 49086.11 98313.85 113210.66 110839.37 146857 47818.21 21320.08 37672.55 109790.94 3028.58 5132.92 181155.3 90558.82 178010.5 191495.92 55159.89 40327.33 74163.93 48460.41 65411.03 80309.73 38300.24 36802.52 193554.84 120803.83 91736.14 62982.75 85796.42 36260.46 72797.66 125403.1 80306.19 163418.74 271166.53 110814.49 49485.72 71441.28 48008.65 66178.92 39277.97 28012.67 25478.04 40051.74 18748.15 41898.53 44905.18 62612.73 56291.42 45708.05 121806.31 95423.48 41548.17 30205.88 103758.15 62865.54 116834.83 121267.2 77108.95 86819.82 78632.25 77076.97 85130.13 81556.06 100820.64 87509.1 80114.87 82838.59 4S,5R-antillatoxin A 11190.85 11503.92 11108.83 10346.93 19661.18 12318.85 35822.4 35746.58 1981.47 9899.43 16058.05 7447.6 6908.24 9409.43 11860.61 11598.34 17740.01 8775.61 10674.95 11376.27 15636.82 7756 6401.38 9966.36 800.24 1235.14 10700.01 9283.25 1576.75 1141.95 11449.37 11418.77 970.44 7411.07 9335.53 9673.19 19087.32 8305.69 8929.32 8694.48 7881.35 6212.19 9253.21 9059.55 9664.64 8759.95 8247.43 10803.47 9274.21 7957.51 6401.72 9740.68 10852.52 8327.48 18010.3 9416.09 9909.26 9415 6538.95 8938.43 9659.73 9694.58 11251.65 10437.65 10122.05 6322.66 4781.84 15766.42 8532.11 10951.94 11744.69 10713.27 8256.38 11091.78 9021.78 6813.86 18043.44 6915.84 7010.91 6829.71 7021.23 6732.72 6551.69 6871.74 6670.28 9058.79 7029.54 6679.76 6752.82 7303.58 8330.41 7001.93 6482.39 6379.78 6642.91 6986.94 6574.97 6994.89 6680.13 6820.32 10272.47 10814.6 10275.2 10280.82 10091.6 10083.2 10082.36 10261.63 10294.26 Gln-Val-Leu-Arg 2169.28 10553.41 14606.81 14287.41 3444.4 2301.76 25361.76 26605.97 14335.14 12256.75 15867.53 7839.19 7160.57 14371.17 15383.81 1184.56 12810.58 14251.63 1223.87 4983.59 16817.16 9240.46 9106.11 14972.49 9235.8 2121.01 14316.77 13980.14 15234.33 15003.01 1924.73 15156.34 10809.59 7268.64 13277.36 7538.4 2528.86 4910.32 12745.9 12297.94 13339.26 6717.86 6910.43 11064.65 9694.06 7194.43 17597.71 8944.39 13745.83 4829.56 2889.3 7308.72 12289.67 14715.26 16591.21 8267.81 6897.59 11888.81 6910.89 11511.66 11985.97 12071.93 13787.14 6924.15 10804.2 15574.94 4553.95 5303.87 9755.76 13634.79 2743.11 4084.92 15445.62 8205.03 7440.13 9061.84 8670.4 7452.24 10107.68 8838.9 8382.64 8388.66 8803.37 7873.1 Norverapamil 191040.35 226781.84 97524.34 97144.52 37648.43 262240.6 32158.46 105793.65 84727.61 87907.23 115788.84 44490.49 78358.25 83407.94 229957.13 6928.33 93010.19 137937.41 56082.75 113338.56 60069.68 11638.05 43019.54 80095.79 95275.07 94178.11 93414.21 99777.7 87453.31 56163.27 65081.69 38009.48 66087.55 167644.89 194702.17 90933.72 162656.63 62909.21 68442.28 145605.08 46546.27 96749.37 70544.32 179051.69 70965.42 57798.15 140719.33 87890.71 50468.94 73604.63 95616.3 136796.28 113106.92 84701.7 130808.01 178743.41 221687.07 181642.96 83624.37 71036.57 136565.43 64966.2 271827.15 104665.12 112030.49 106189.12 109746.17 102158.11 108046.46 136171.93 84670.58 48216.91 141981.87 128577.05 84030.5 104400.29 104427.23 101605.39 102529.99 102878.55 104374.39 102636.23 105307.18 95615.7 Cys-Ile-Gly 4915.74 5709.83 390.83 3400.54 9285.68 2330.44 3085.72 9544.08 15610.63 6380.28 3519.23 9319.98 7708.9 10174.01 5975.04 4982.38 4831.18 15868.81 12651.77 6395.35 16419.1 2415.6 1456.17 2641.89 5179.78 13222.55 2010.14 3702.2 9780.08 6629.94 21325.36 12423.59 1979.05 7975.01 4001.12 11005.29 10586.9 4870.59 5211.9 2372.05 25775.97 11332.62 2783.18 6224.63 22680.5 9911.67 16271.63 8146.35 7264.93 12082.9 11352.93 8357.1 4868.67 5790.96 7347.49 5747.5 562.71 1695.25 9110.42 1935.53 2605.95 1447.91 6456.05 3915.63 2908.46 10636.05 11445.75 4329.9 4751.65 12171.14 6505.16 947.6 5038.91 927.98 4832.35 10463.04 9835.92 10124.52 10063.99 10683.54 10353.17 10126.45 10107.47 10846.35 Ala-Gln-Asp 51827.69 9262.56 1790.22 8813.65 52051.12 20798.35 11997.18 43527.35 60763.06 35222.13 19080.48 35212.66 29969.05 40218.83 22680.38 33048.08 14717.67 38306.42 22465.81 51774.15 44166.87 4326 7292.22 7202.08 53394.57 12119.17 25214.81 28990.51 29671.77 32799.95 20248.14 35726.2 26354.6 7228.25 8065.8 61266.34 40966.87 17622.38 12716.22 11834.85 54867.33 17745.16 22677.28 7817.45 64831.46 14666.12 62724.03 22848.84 8976.24 49122.13 51035.59 36343.01 21574.34 11400.72 34718.88 15848.92 9148.61 12454.84 40671.55 10108.04 2333.43 12572.07 16548.47 1292.05 5512.5 39834.11 60740.49 20863.09 26805.02 31690.17 11347.16 10050.45 24927.24 3938.39 11795.55 22693.46 21478.84 19169.71 23377.46 20420.23 19438.71 22802.13 22726.52 21780.1 Arg-Phe-Phe 9132.07 9160.29 1758.68 1975.49 12541.78 10253.76 3610 5093.15 13952.8 3476.89 6329.64 5089.04 3085.52 4647.6 3542.34 11408.62 8950.47 6219.1 8603.24 10877.69 6313.76 7492.55 2772.22 4221.53 5494.12 3887.83 5387.72 2531.88 8531.31 1921.56 8782.07 10216.52 8820.1 5291.28 6093.15 9489.44 9378.91 2854.27 6163.41 4038.66 3547.11 7792.15 4681.74 3010.98 5932.76 1755.18 21074.5 6784.89 2820.86 3955 7395.65 7497.03 5583.62 9296.28 2371.16 7595.45 7079.54 2209.03 5079.75 1365.29 5070.57 7436.47 6077.48 1808.97 7427.87 6366.76 1646.4 8568.07 1053.31 15308.83 15812.33 3517.43 2751.46 7293.75 1464.07 5566.4 6353.77 7637.02 6048.2 5191.63 5947.2 4693.71 5986.18 4745.59 Thr-Thr-Asn 3580.71 3910.91 1627.02 1069.66 9889.43 4162.12 4447.75 15057.89 7612.34 1485.58 798.6 3443.94 2761.69 2511.79 4393.16 2724.65 417.71 945.5 2239.45 6335.71 5982.79 3479.71 2385.16 2965.2 11690.89 4051.12 3105.39 922.48 7986.79 1331.94 2941.84 13752.22 438.53 1001.36 988.73 6718.1 8972.95 7041.26 4107.77 7132.72 983.48 3050.36 1824.82 2532.57 2855.91 1498.86 2912.03 4734.32 2827.32 2192.37 7889.34 1350.24 852.64 5056.89 6778.89 1178.93 968.06 1252.3 3860.97 3572.21 1261.51 2043.4 7065.98 1582.9 2224.72 9970.08 4273.85 392 798.09 11627.65 11050.42 5732.3 464.75 2436.57 3716.89 4284.57 4802.11 4491.1 4568.99 4488.88 4491.07 4493.12 4563.74 4518.09 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, diethyl ester 1674.08 6037.08 2975.36 4833.03 2368.49 1111.25 3598.4 4259.58 1602.65 2172.77 1942.82 3186.13 7408.47 6016.5 5247.77 2921.37 4026.73 7885.16 5560.17 1819.84 2002.45 930.33 560.73 4533.06 3163.97 4100.27 5549.91 1851.41 4891.89 898.7 3799.34 11847.25 1115.6 1000.48 3121.42 5493.82 2816.95 621.23 547.52 4441.32 2409.15 8375.33 4863.83 3691.15 4718.29 3709.58 3864.55 2547.45 2922.15 5490.54 2601.68 5073.58 3956.37 5789.88 7094 8996.03 3674.3 3118.44 3551.12 893.15 4579.45 3433.92 4526.56 4170.57 2766.12 8082.39 2652.2 3192.63 4888.12 3086.86 2157.85 3869.15 2141.94 2367.38 4450.95 4188.11 4247.38 4187.08 4189.88 4116.98 4233.87 4322.26 4250.02 4312.43 1-[3-(Trifluoromethyl)phenyl]piperazine 7469.04 9095.13 6599.56 9268.4 8640.48 1948.94 9663.18 9570.96 5137.95 5854.91 8652.93 8706.43 7731.63 8691.69 10963.4 9020.28 9822.19 11049.23 10535.39 8482.03 3989.27 10661.4 8436.44 9029.88 6676.91 4191.14 9379.77 9783.38 4982.17 10579.93 6686.25 6451.04 7024.61 11385.46 8012.76 10744.77 7189.55 10252.99 10478.93 8004.69 11527.56 9793.52 7407.52 4533.68 7593.71 11376.65 7568.68 5423.3 8407.4 2370.5 8112.34 11002.26 7965 12631.96 4880.28 6741.55 8715.49 8773.87 12493.82 14941.47 11740.1 9157.78 10940.2 14272.13 7140.49 9973.66 12738.3 12005.07 10421.98 10169.42 7300.97 9663.9 6490.6 7666.84 6969.64 7435.16 7087.21 7068.23 7433.84 7034.94 7789.11 7071.73 5835.77 7480.13 His-Ile-Ile 3591.95 6654.39 4228.08 9110.25 10173.54 2918.57 9159.54 17199.37 19604.64 7882.11 2135.74 3842.68 5759.93 2819.46 15983.85 10143.94 3699.87 11470.57 13611.28 21900.25 6394.16 693.93 1440.12 3051.21 10532.88 20983.53 6389.86 5259.91 14554.51 2091.79 561.54 9256.48 9421.48 1706.49 2552.12 9433.28 9827.05 2250.56 1705.84 6391.26 3652.39 593.19 8447.93 1845.71 6106.04 5161.88 5255.94 2263.65 6709.6 6838.87 2793.16 2736.14 7417.25 11584.97 10543.28 4698.01 2875.16 3601.24 10727.47 7690.64 3877.52 2919.35 8750.58 4436.89 6668.39 9700 2873.74 1000.97 1991.22 15883.05 12725.82 1656.05 1778.61 5780.37 3084.98 7876.71 7024.44 7550.4 7558.01 7570.72 7878.11 8445.63 7507.19 7883.39 Asp-Ile-Ser 7451.34 12187.27 3505.25 4264.28 5059.83 7690.32 4502.28 8767.05 2429.27 4682.36 2738.18 5069.33 1669.66 963.37 13212.11 1603.67 3291.53 11864.29 13115.6 28695.4 8451.32 18089.01 1200.63 2416.91 6841.6 11839.21 1032.44 2256.29 11220.54 2815.69 8461.2 3341.59 7695.06 5917.57 2857.27 9463 6276.5 7342.34 847.52 4285.95 14108.96 6887.44 4395.81 2418.42 14133.51 4404.57 20456.23 7349.15 1155.74 10441.83 5196.04 7091.54 2514.79 1221.5 2439.9 9296.14 1812.56 1620.89 3650.24 16341 893.79 3743.7 5437.14 6157.02 4790.18 3739.83 22921.3 2624.74 2042.96 8090.58 8380.8 3614.68 814.23 4462.64 1377.43 7338.37 7217.34 7343.67 8215.93 6909.18 7404.35 6914.63 7013.26 7351.54 Ala-Phe-Gln 184.59 271.49 292.65 1964.42 4311.41 4301.57 3970.06 284.18 210.21 571.76 332.45 133.5 1313.19 181.64 243.91 1563.75 354.09 153.07 378.68 172.21 163.1 183.84 237.51 276.54 171.81 273.68 256.49 137.08 141.33 168.75 135.05 363.24 172.06 197.48 172.13 865.76 848.11 169.7 147.18 135.8 2490.27 246.34 270.41 129.04 181.2 1104.17 127.37 262.73 499.96 589.97 135.4 156.69 204.44 242.1 1626.44 181.48 171.89 352.46 646.37 970.38 267.33 322.33 302.08 233.81 139.78 307.21 384.88 476.62 435.55 225.8 696.2 195.09 141.73 314.76 333.71 1230.71 1088.61 1132.81 1033.25 1133.05 1115.89 1015.43 1072.29 914.73 Ile-Leu-Gly 427.85 718.39 634.92 18044.63 13117.2 19906.13 34642.73 269.52 972.73 754.33 680.17 399 8873.61 129.92 187.84 1937.05 925.6 903.27 419.1 678.06 266.94 2076.75 557.65 682.63 199.83 206.16 628.27 211.78 148.11 647.45 731.5 1502.94 589.66 2143.05 1006.24 1788.52 254.05 832.32 281.21 359.02 10630.07 2616.22 696.75 859.27 485.18 11856.03 995.94 962.04 691.77 908.36 1488.7 315.33 412.46 2175.89 2944.57 246.8 1081.75 734 152.56 2363.43 952.43 1718.52 326.66 368.98 599.22 1625.02 1147.01 955.51 163.42 606.79 857.01 589.92 935.17 852.92 2352.4 3789.79 3648.28 3718.45 3510.81 3669.14 3647.96 3709.39 3652.89 3653.14 Pro-Gln-Cys 3332.97 1644.78 5165.08 5325.24 3708.86 4617.77 9035.1 6117.17 3527.29 4565.81 5476.63 5913.35 2516.34 6087.88 1184.68 7394.89 3963.03 3887.46 7006.09 4212.05 1867.79 7656.57 3444.77 6628.23 1987.19 6493.27 6258.61 5929.75 7255.19 2314.24 1462.14 6070.71 3523.64 9291.42 6697.21 3550.03 3184.11 2076.19 7120.4 4599.26 2001.7 6561.06 4602.22 4970.14 4399.62 6373.38 5381.56 6580.58 5958.27 9892.29 7528.21 2313.2 5499.88 6242.35 5500.97 4536.78 2611.74 3099.46 3562.47 1608.19 3556.27 3594.46 4104.4 5263.31 5423.73 2149.62 2706.84 6169.11 5560.35 1776.37 2666.1 5596.71 5272.79 8199.53 7393.09 6421.78 5460.9 5562.84 5399.21 5505.62 5677.6 5513.44 5715.09 5400.64 Thr-Pro-Gly 1679.72 1783.57 885.82 13471.33 6001.48 1755.99 2730.43 2079.91 2652.99 1690.22 1515.87 381.74 4661.93 1133.44 451 3385.82 1114.96 2263.17 1615.47 2801.51 306.45 2300.52 562 280.93 6358.9 1776.44 1170.47 1259.15 825.5 4652.94 2400.03 3795.01 1791.12 1175.2 970.58 964.15 1936.6 605.31 472.67 380.27 967.18 6916.06 1041.36 708.56 458.05 213.5 1206.01 1220.11 3360.57 4011.56 4857.84 735.52 925.2 725.56 2368.95 533.3 1466.37 974.84 741.15 426.4 934.47 237.05 664.35 1842.59 308.27 3957.55 1763.62 1378.49 1157.21 630.99 929.39 800.86 398.13 932.37 917.28 3180.28 2960.86 2902.28 2989.14 3015.31 3026.71 2702.2 3029.03 3012.34 Arg-Asp-Asn 15669.62 6266.89 4163.28 5400.55 5669.27 11620.44 3922.4 16147.21 19300.05 2085.35 961.06 31068.05 21660.32 12422.26 8052.99 4733.14 6047.82 4242.99 6741.96 455.92 16822.4 4464.1 3568.54 7730.09 23879.14 11132 5215.56 6046.12 21323.52 24742.98 28803.84 4132.85 884.99 1308.31 1672.97 10142.6 18729.76 1355.97 5499.15 37293.16 22778.2 36418.32 5570.61 777.31 9743.23 4617.59 1575.17 3753.84 500.34 7939.47 19002.16 10888.65 2186.42 1074.45 10244.96 7543.24 3918.67 3507.09 11905.86 5677.57 622.11 5438.85 1462.78 6587.33 543.85 17797.84 16767.32 5471.75 8344.62 14814.98 11487.05 10552.64 5265.23 1380.37 4969.57 9302.32 9426.42 9305.12 9374.83 9264.78 9261.72 9182.7 9325.15 9375.4 Pro-Cys-Ser 3754.14 5171.17 1934.99 417.81 4800.16 4768.61 289.21 444.73 427.11 1447.65 1348.38 2320.41 4509.02 4330.73 1674.87 3545.26 2305.93 5329.16 8765.85 843.46 9219.01 2344.81 6699.57 7007.78 693.2 8970.72 2164.57 294.8 9703.27 407.76 8499.52 4936.23 7118.29 582.92 2478.44 550.94 1246.28 1045.31 956.61 5090.35 1201.83 3633.65 1535.66 1180.98 2254.72 9955.03 1045.32 591.8 3955.28 2332.9 1527.01 10929.29 377.77 480.96 2918.65 944.98 289.32 702.33 9188.78 334.79 1051.68 2043.93 3178.27 356.5 695.13 3652.83 1453.04 434.04 352.29 2592.82 2067.52 13081.6 4430.57 1815.88 7082.89 3508.58 2482.51 2048.07 2048.15 1989.6 2286.91 3262.25 3417.71 3209.18 Met-Glu-Trp 6292.22 2628.68 3936.47 633.71 3791.37 1758.7 6166.04 5773.59 3139.32 5770.88 3754.96 5148.1 3707.05 3584.45 4996.8 5583.6 4433.94 6076.98 2983.36 13151.21 7303.48 6499.34 942.81 2170.84 7773.97 5705.33 2964.68 5349.67 4004.18 2522.15 6983.09 10052.69 3181.28 2231.11 1152.72 8468.66 3745.9 7384.75 886.84 760.75 7549.57 7148.85 3572.72 1490.93 5222.52 2642.03 6429.4 2403.99 446.6 6373.06 5890.38 6885.22 2034.35 5385.04 2025.11 6033.61 2844.25 1685.9 2701.07 2755.02 2216.87 1272.04 1397.75 866.38 574.19 5903.59 2156.96 5524.53 3151.63 4947.55 3247.38 1259.91 3903.46 1977.55 2158.77 6234.37 6277.01 3804.35 6425.68 6076.39 5633.73 7204.74 5376.27 5362.79 DMABA-d6 NHS ester 20311.8 23786.28 9364.31 11540.23 29811.89 36061.03 20374.73 31405.26 13430.35 1788.71 15145.47 18769.58 13377.27 14173.66 26818.76 24418.07 13889.98 16599.34 19351.39 22573.04 19894.19 12732.25 9503.53 17693.45 26661.66 26625.16 17675.31 18575.76 25854.7 9520.82 16712.8 32473.2 14495.27 11313.09 14590.59 21105.72 19258.46 13352.68 13363.12 16329.73 17674.71 29449.11 15981.61 11438.09 23002.01 16902.02 23644.17 16434.75 16191.39 21163.89 22794.3 16495.8 17444.7 15407.73 13129.42 17285.38 12573.9 8419.85 17618.11 15771.83 10282.14 13004.19 19293.58 12689.55 6709.39 24432.9 25073.88 14300.88 14690.4 24105.59 15299.83 16408.33 14747.16 10320.81 15314.65 18547.96 18802.57 19642.63 18809.58 18761.41 18556.01 18539.48 18727.27 18442.75 Docosa-7,10,13,16,19-pentaen-4-ynoic acid 22636.66 9454.44 8516.74 4258.22 24239.39 20288.58 12212.17 34321.18 30510.05 14242.39 11813.87 22369.48 17193.03 9500.96 30285.84 5129.11 13156.72 9854.01 6979.56 13480.69 20472.37 4039.4 9440.96 13141.98 30693.97 23885.05 17390.26 15574.17 14531.37 11956.88 25838.34 29736.32 23447.72 16088.13 18451.17 21542.05 14433.47 105852.24 17599.88 32921.3 3813.67 43341.45 23920.72 18406.35 53955.05 6415.2 28308.56 31593.39 22382.98 23399.5 51533.06 43301.16 32604.65 14366.3 25397.87 32730.4 14990.28 17424.07 33847.85 15529.59 13479.74 15663.9 59884.06 12700.89 20905.7 60311.6 33326.84 22960.03 18316.54 30281.37 27968.77 20622.27 16659.99 15882.85 19983.54 7896.41 7733.8 7265.13 9357.24 8622.48 7807.86 8813.33 7281.82 7963.82 Glu-Asp-Gln-Asp 11571.59 9484.67 16129.4 16491.77 12270.96 7948.87 19758.61 12517.67 4152.09 1638.97 942.68 8165.86 928.3 6095.58 15310.41 9587.2 786.37 22409.48 1037.79 2396.17 7766.19 777.38 7493.33 6602.56 12499.72 3880.69 478.67 3472.58 14886.71 6647.67 15374.53 5147.98 7560.25 9067.29 4828.87 9398.77 14967.54 5677.55 7903.82 12022.58 9700.77 1329.34 7313.41 1934.2 7846.3 18038.43 13608.88 9234.95 1430.39 1346.81 11502.72 13966.75 8075.44 15789.65 13304.37 12317.73 12809.88 10093.2 10511.02 7641.36 5830.58 17565.17 10708.01 14624.84 3481.21 20146.26 11095.46 5061.51 8582.96 15832.31 13014.69 5402.26 9906.21 16389 23136.06 10809.14 11070.14 10954.65 11061.81 10810.48 11069.97 10817.69 11038.74 11533.58 Gln-Val-Gly 29316.13 2051.23 2792.72 36151.96 103170.54 51590.84 39740.34 16537.71 45557.02 38954.94 11752.19 43715.35 47663.92 5008.59 5727.46 63950.55 28767.68 7192.67 73560.57 32099.36 16960.08 108742.07 9195.28 2718.14 52415.75 51114.36 29074.71 2246.3 67659.12 44348.87 38424.1 88173.5 8493.86 58741.77 31286.64 45591.74 24971.77 28559.54 11796.03 11521.28 35190.42 55115.84 21220.25 15691.63 39691.78 45808.83 26776.09 24739.9 68739.97 74413.17 58143.82 20717.12 20013.97 48505.78 41963.57 31692.65 12465.43 14741.73 36386.7 54599.78 24708.09 19768.45 40435.38 34567.57 18501.26 42897.8 26761.02 22089.36 22227.51 37797.12 22493.49 24889.13 20995.61 32243.86 43255.29 39802.84 40392.97 40551.08 38775.45 38851.83 39923.7 38853.24 38788.7 45317.79 Pro-Tyr-Thr 1404.31 1144.65 1024.58 445.83 2303.23 1979.33 1754.73 3313.47 3472.96 1119.95 1159.13 1491.01 994.4 875.04 635.94 2431.12 535.8 1736.66 579.31 920.16 2014.38 686.04 1069.86 432.5 558 1023.01 1883.01 1973.3 951.51 733.77 1277.55 589.2 2275.58 2620.95 3613.55 1568.22 1587.27 872.53 2831.55 9509.83 1333.2 1367.48 5400.45 7636.82 3595.89 1630.38 1807.76 1525.44 2364.29 2430.09 7123.95 4106.29 3238.82 4487.38 2881.91 592.06 1062.77 2586.39 1245.67 512.28 2408.86 4041.73 4686.77 10742.25 1765.13 6357.05 5066.99 1233.14 1094.08 3903.09 920.73 1589.16 4127.12 1287.8 4956.94 3506.9 3824.4 3941.64 3941.18 3484.78 3637.2 3341.86 3421.96 4583.2 Pro-Arg-Met 9576.46 7019.76 5298.2 3009.02 6011.27 29045.95 6734.87 32097.74 14653.99 10495.49 14534.35 24076.72 3093.29 14506.92 3431.8 18425.31 5751.62 19903.84 23401.75 28836.82 14940.82 6534.28 10508.23 3614.08 14203.75 17755.23 1850.55 7889.34 26113.52 14361.37 13769.88 57326.91 13347.3 18969.58 9363.3 19477.91 14830.37 11605.7 3733.59 1951.28 17191.43 18618.6 9931.8 2203.72 21811.51 3644.45 14593.71 11404.3 28238.83 38954.44 14220.73 3038.53 2774.14 8104.52 9429.66 5374.83 3785.55 3919.09 29991.7 6703.3 2635.33 3099.15 11396.91 11598.09 5449.38 12966.71 13331.66 8051.69 6817.9 12669.87 9986.65 8943.72 9721.44 5577.84 5974.25 13368.67 13652.94 13379.54 13659.98 13659.87 13016.71 13895.79 13653.26 13378.14 Met-Glu-Met 4875.41 13220.65 3792.23 840.15 13812.95 1660.22 5117.55 17783.27 22106.04 7419.6 7204.05 3136.45 645.86 3124.49 7298.25 16979.14 22338.14 19485.81 15829.47 22816.37 14159.63 4648.46 1522.54 8569.79 22989.43 12409.57 15255.15 1781.03 4033.13 2611.4 25540.8 4003.53 940.04 615.63 4439.27 12310.29 15965.74 2846.4 2784.35 14138.97 11965.26 13517.31 7861.38 3192.99 16585.75 2270.78 23894.64 4996.85 3120.48 20651.09 2020.38 3083.88 2102.13 4240.71 18749.49 15961.68 4983.23 6632.03 18153.45 5950.49 8227.67 1377.32 13218.16 10735.13 9450.07 18844.66 12242.44 3379.32 15211.16 21100.42 15017.55 15138.88 8772.68 8571.51 4263.83 12443.9 12507.4 12727.85 12624.41 11158.89 12737.65 12447.39 12571.61 13158.53 Arg-Ile-Arg 3529.11 4095.01 1820.82 2457.07 7286.62 8964.28 4338.98 1771.52 6649.77 4887.51 1958.7 1810.24 2000.03 618.28 5243.54 1025.6 1504.71 3602.69 1483.98 7182.43 3252.53 3259.28 1803.82 634.5 6666.83 6403.85 1055.12 4142.02 3828.8 605.41 4214.19 5132.43 3662.85 2717.24 2436.65 7081.01 5437.81 5933.02 3025.66 2517.47 7497.16 8458.7 2350.74 2647.02 6350.11 1014.87 5511.49 2791.21 1409.94 3165.22 3669.5 5317.65 1130.87 2918.13 2665.25 4230.63 1416.83 579.45 4438.34 2602.72 2674.47 2617.55 2558.06 2800.48 708.36 4953.75 4842.3 737.69 2693.96 4909.97 5954.84 4399.53 1343.11 2336.38 2864.14 3925.51 3141.99 4081.84 4104.73 3984.33 4099.65 3878.49 4085.74 4087.29 His-Glu-Gln-Lys 1785.66 1553.48 5202.65 3019.55 15331.24 2302.09 4349.92 1795.78 1032.33 1618.7 2850.22 3291.49 4184.78 523.19 702.09 2051.34 3659.99 538.09 3111.89 557.73 1820.31 3868.63 2609.2 6605.07 1075.99 2640.9 2465.47 749.25 4650.65 1573.5 1121.92 1125.41 522.53 5063.86 4616.2 1646.13 1344.72 3543.81 2647.43 2385.6 461 1370.58 3298.07 1606.35 676.63 2383.3 5397.63 2549.86 2207.76 3906.51 1629.38 1547.96 2257.61 2690.85 4607.75 2135.79 1387.07 1831.92 785.33 5385.17 1282.45 1624.74 914 5303.76 2517.59 1996.6 1582.22 963.82 1060.49 577.69 795.19 3424.83 2577.26 3227.03 3052.49 2162.52 2226.84 2290.56 2156.89 2318.13 2303.2 1787.71 2687.49 2145.23 Gln-Val-Asp 3262.84 6973.85 5391.17 4559.67 6595.01 12440.68 2868.7 9756.58 13593.26 5607.39 16272.42 41125.86 20426.45 21072.92 7943.42 13055.97 2946.15 3802.95 6356.05 14929.38 7197.74 5827.53 7984.88 12575.52 14403.72 2346.19 2570.33 18007.41 2395.38 18882.76 1714.64 2519.56 989.28 3026 1954.71 28055.92 31563.83 2570.82 6543.35 814.27 46611.34 23462.88 9090.63 8864.32 14931.89 26314.49 10573.32 6071.28 20235.14 27736.17 15022.21 4013.2 8940.69 9157.05 5338.65 10106.26 4324.35 4695.87 5627.05 6714.54 3729.87 4626.03 8877.09 6689.75 7521.94 19451.16 12840.9 16790.21 16824.88 16314.11 3367.89 9820.73 4694.95 10237.7 12368.14 11604.8 10966.89 11516.54 12022.73 11019.75 11264.81 11401.72 9969.47 10976.47 Asp-Glu-Tyr 3069.15 1118.99 188.23 786.7 5683.73 8463.15 1446.26 2583.3 3863.64 10256.5 994.54 1186.01 855.28 697.49 1757.58 1165.72 679.99 1279.59 1307.33 2592.51 6574.25 5714.9 1072.12 888.98 3376.58 797.68 576.46 984.91 2327.78 1495.52 1438.24 730.07 1202.14 1158.69 624.85 1368.82 2048.18 1801.53 615.17 495.83 2241.75 1724.25 710.86 813.5 776.18 1630.11 2196.81 937.34 1236.51 2121.52 883.73 244.88 526.05 1120.85 2119.44 559.84 1007.71 775.22 3501.37 538.58 779.17 1339.77 916.29 830.84 530.52 1368.57 960.13 716.98 544.16 5072.72 863.72 1913.92 703.47 1152.45 1033.31 1924.43 4171.53 3311.99 3083.09 4984.08 2965.78 3130.37 3637.62 3614.09 Ile-Val-Lys 1156.86 785.9 14475.04 6858.7 314837.11 4859.74 6258.54 11807.26 10579.59 4417.15 707.8 6697.19 5158.71 7753.71 2874.54 14960.38 1640.33 1394.07 15134.67 6436.42 11246.07 6921.76 849.94 1339.48 9088.31 8069.15 13916.75 4037.02 4348.32 11343.66 5623.92 7735.41 582.9 7393.09 704.62 10134.44 4600.52 7753.83 5764.26 545.94 111808.85 2258.02 8373.68 7257.66 8298.94 1416.88 9833.53 6045.47 5539.83 8897.59 10109.74 10269.16 8163.09 6661.91 2775.64 16061.92 7517.38 4977.79 4262.96 12249.12 3746.64 765.98 12824.27 10389.53 7107.7 1276.62 14205.66 1822.28 2677.2 13397.32 8710.93 6810.52 6129.12 759.5 20550.27 5172.03 6280.06 5554.71 6878.55 6371.98 3499.07 6277.42 4577.36 7317.25 Lys-Thr-His 2309.04 330.43 2527.23 3273.73 667.01 4311.87 467.7 3492.86 1836.6 2557.42 1213.22 529.78 2843.74 4420.22 534.15 410.57 9097.78 3871.39 341.44 7098.97 2869.87 10774.99 1067.6 9285.62 820.55 339.93 1995.55 2003.95 381.47 3249.2 7580.04 1887.85 2849.37 1929.21 1830.58 3617.44 1437.92 3169.55 1337.66 1116.95 6107.63 3536.77 1593.93 1938.95 5814.34 2692.92 4210.22 1870.81 2981.64 2405.15 2323.41 1535.69 1906.63 1548.64 1489.23 1587.53 2114.91 1356.97 2439.37 2183.11 1705.8 1739.93 1374.69 1611.08 1128.73 1402.6 3547.9 1644.96 2188.64 3123.5 2892.66 2188.4 1954.05 3986.65 1890.41 3368.28 3462.29 3417.22 3440.93 3278.89 3304.31 3381.91 2686.78 3260.96 (E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid 2750.61 2954.16 1145.45 578.79 4549.33 4011.23 2956.02 4235.86 4524.18 1976.47 630.38 694.6 2214.81 2392.81 2420.07 2161.89 1530.41 2320.45 2258.54 4217.95 3576.74 2603.28 1514.4 1955.13 3524.79 2832.93 1842.13 2181.33 3847.68 529.48 2656.65 2610.28 1015.33 1520.12 2162.31 1775.96 2357.79 2767.11 866.48 992.49 3379.1 4963.95 1462.2 1045.99 3557.77 1932.65 4362.25 1874.63 1717.25 3371.73 2901.83 2829.18 1804.34 2475.44 2487.18 2089.2 546.5 1147.23 1523.65 1890.08 748.66 1095.54 1133.42 1566.96 1209.06 3775.39 2978.96 1768.77 997.94 3195.6 4434.2 1993.16 1751.92 2481.91 1551.2 2083.65 2160.19 2093.45 1952.94 2225.62 2296.76 2205.28 1316.71 2255.22 N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide 4944.08 13588.51 15525.22 15827.22 11333.22 1978.81 24604.72 13333.6 4864.36 11616.46 12939.69 11295.74 16771.96 12523.19 13454.74 14948.34 9542.27 11430.07 1965.15 1827.97 4567.6 2900.44 8619.57 9563.95 10318.89 12292.34 6822.95 1248.26 6624.05 2641.13 8382.64 1263.16 5038.46 13162.57 16984.39 5245.54 5483.65 9193.23 9974.56 17727.2 1253.6 2173.87 16989.75 14251.69 2474.31 8839.12 5176.6 12943.85 6049.61 12518.06 7490.16 14908.13 15854.66 20254.13 12475.51 20896.4 19775.99 14812.73 4232.12 9121.23 14055.85 16304.01 20379.86 13575.95 10951.83 24513.17 6431.96 11163.54 14979.03 11447.11 9611.72 2348.95 15877.43 24833.33 22376.48 10616.63 10811.36 10815.69 10821.43 10816.89 10351.41 8055.98 10391.79 10326.36 PDMP hydrochloride 4993.92 6058.48 4331.89 4439.11 8136.7 10659.61 2576.26 7010.69 3465.41 3752.1 5190.86 3763.52 5598.4 5979.12 891.69 5725.87 5732.82 6264.9 7289.9 7056.7 7878.88 4708.67 2855.07 3569.17 4168.12 4652.74 4049.72 3796.48 5945.12 4775.32 5828.16 9230.02 3451.15 4293.54 3932.49 5811.19 4570.75 4959.7 4831.19 5241.97 6093.03 5502.77 5455.09 5338.62 7437.07 6302.41 7722.85 5393.04 3081.73 12876.05 5696.85 5118.7 4922.85 5557.19 7107.45 5784.02 5391.66 4370.6 5602.63 3916.44 3986.62 4827.09 5128.52 5691.99 5549.91 5816.09 8593.97 6229.7 5088.17 2428.02 4306.62 4829.18 4902.02 5136.12 4007.5 4475.72 4853.1 5022.75 4995.47 5142.27 5011.41 4869.37 4925.39 5017.22 Phe-Leu-Leu 4043.11 2637.74 3376.03 4509.54 23696.15 18998.36 2313.83 5280.18 4760.21 9882.1 3786.48 10048.2 6009.01 8433.08 8225.45 6774.66 4688.18 11199.84 8884.25 6374.65 6858.81 11143.31 3496.93 12117.99 2512.04 28978.63 5359.82 5823.1 2425.01 3594.25 3012.02 4373.63 747.26 8325.22 3240.54 9055.5 4961.9 7109.11 6911.99 5256.43 7979.9 5714.67 11009.31 1362.29 7911.3 9171.39 6860.68 8892.42 6423.97 4463.53 6705.47 7688.54 5145.26 4145.48 4286.1 4286.05 4208.55 4814.96 5077.64 1623.76 3184.05 8437.1 6097.63 3942.7 4827.44 10831.24 4328.62 4620.65 7889.98 8088.75 6187.29 4162.69 3744.18 6126.65 5309.7 6541.59 5695.43 6911.35 5955.4 5820.17 6281.51 6307.71 5866.25 5681.78 3-Amino-1-hydroxy-5,7-dimethyl-adamantane 8724.13 8418.33 9360.23 10864.72 15729.02 16596.86 17823.97 12610.11 13451.37 10824.05 11911.48 14607.73 18110.92 13205.34 10463.9 15703.51 12483.32 8731.71 18142.14 12801.28 9268.27 10698.89 12133.95 12120.84 13996.92 13320.42 11145.7 12740.17 12633.74 7930.45 10080.28 21620.54 8417.82 17498.71 12434.88 10972.49 10665.2 9546.35 12457.78 11215.49 13881.79 16990.73 15026.44 10926.15 13896.76 14647.95 13127.06 13123.09 11052.75 24273.13 11445.05 9925.98 13912.97 16483.04 10048.24 11602.37 8579.35 8763.86 8282.57 8997.45 6155.21 11619.52 8683.64 12308.38 8136.28 13449.47 13237.53 11824.24 12366.68 8267.93 9162 14199.44 10647.68 15083.77 15448.04 11704.69 12560.87 12286.49 12344.56 12389.33 12496.67 12562.72 12313.41 12294.92 Tyr-Ser-Glu-Lys 2010.99 71877.67 52119.49 57697.74 1435.41 81414.31 31917.21 5567.04 857.7 30839.01 2552.11 51112.71 78138.02 83458.87 982.56 54783.98 55930.65 58557.74 61480 61433.95 3254.61 117296.24 28963.53 47285.61 27388.47 43436.63 21632.18 28162.7 1477.09 2796.2 56518.72 65098.48 6527.26 44565.18 42683.87 9885.61 9266.3 52914.86 22713.91 37350.96 55579.02 23646.27 55025.9 90593.09 32459.38 64534.63 37093.68 65844.17 25270.77 116792.84 17284.02 87038.35 49071.05 79390.86 6306.09 96428.58 65383.36 50292.97 18355.04 58735.87 33514.13 19876.48 69837.83 27756.66 48562.58 57982.57 87004.7 32037.49 16054.45 46029.64 17387.44 8025.93 29440.26 65286.98 62768.04 36435.09 36841.01 23642.68 35806.3 36300.23 35903.13 33578.58 35037.18 32436.48 Arg-Leu-Gln 3478.78 2885.37 8487.82 8592.05 10663.22 7376.33 23519.2 8904.94 7918.87 4777.13 3959.01 8989.62 27950.26 6612.98 8258.73 5611.82 3312.8 6231.46 15773.15 5253.21 2877.2 6158.81 6921.37 7614.07 9267.83 6334.26 5932.89 9031.87 5986.02 4195.32 2296.36 6826.68 3164.35 11483.32 9764.41 8221.26 4913.83 1147.96 7570.49 7653.44 4978.37 2603.76 11562.83 3179.22 5088.63 17496.75 5125.53 6497.62 10370.71 7122.89 13127.1 3198.99 10737.61 23563.12 6885.81 2375.3 5013.22 5457.22 3251.31 3273.72 4933.96 4897.63 7107.17 10932.79 6421.9 8113.65 678.11 5230.38 3836.28 7100.78 4149.38 1512.25 6586.69 11100.22 11509.9 6788.67 6779.22 6909.84 7095.68 6821.77 6848.3 6783.58 6405.19 6961.79 Oxydisulfoton 2011.28 5795.6 4990.95 5477.57 3805.33 5269.17 6490.65 8234.48 7301 6831.39 11068.94 5980.19 2583.61 4829.18 4252.8 4634.46 6262.49 4847.06 4869.66 2480.09 6744.55 5455.21 5140.88 3210.22 4951.9 5498.36 5339 3934.77 3614.87 6173.86 2750.57 5689.54 3765.64 5739.29 5300.56 2598.88 6206.42 6461.19 5762.29 7099.3 5773.15 5014.27 5333.79 5752.82 4200.35 6192.96 5779.02 5349.17 5225.39 6366.2 5965.57 6204.52 4882.04 5370.32 6764.78 6883.42 5418.17 6085.6 3579.59 4875.97 4423.44 5614.31 3760.76 6817.92 5299.07 6995.54 6349.99 5680.6 7367.31 6083.97 6946.07 5087.95 7577.64 8324.38 5984.31 3367.73 5101.49 3860.06 3121.13 3336.02 3541.45 3076.98 2964.12 2159.47 3363.36 3960.62 3386.18 3618.02 3830.5 3483.25 7960.92 3062.23 3561.62 2803.93 3266.36 3416.63 3588.63 3612.36 2842.41 3231.52 5109.27 5198.86 5083.73 5211.87 5095.55 5081.64 5105.43 5078.64 4960.47 Pro-Met-Phe 960.92 524.49 235.75 1008.25 575.8 20089.79 4368.84 362.43 497.54 353.2 506.79 1014.43 766.9 454.63 2297.86 657.82 771.59 1849.3 470.58 2115.98 279.24 1917 1158.04 469.15 2526.63 5852.69 1116.88 1680.72 1990.9 844.05 1447.25 331.76 1183.49 432.53 627.02 346.53 872.89 14451.81 590.92 752.45 729.71 1598.13 299.92 578.46 1639.78 674.43 1256.42 507.56 778.03 1116.44 687.29 1787.31 566.31 1835.83 202.32 5536.51 4001.29 5728.7 884.01 10976.87 730.13 524.83 1403.15 288.19 1391.2 742.69 4971.29 767.74 960.61 466.43 1966.95 420.57 401.8 546.08 735.43 2115.97 2263.63 2355.35 2512.42 3073 2373.47 2397.82 2012.11 1902.34 Tetrahydroharman-3-carboxylic acid 1878.75 786.34 211.43 1275.95 2122.99 656.9 1049.75 4557.31 846.43 231.6 3028.89 5030.69 6018.72 2856.87 2938.39 1548.84 888.71 10726.96 892.62 15506.79 3925.01 3014.4 288.67 1215.66 3445.65 9081.24 990.17 6873.99 2458.86 2278.33 8477.37 2568.13 2124.49 739.37 1223.01 6654.81 7834.73 1808.23 1287.82 767.69 26050.84 10659.88 383.37 8396.14 8765 1607.89 1247.82 6590.04 3098.11 2445.97 3261.2 1633.13 7217.27 8376.81 3624.52 397.92 228.21 680.09 7315.33 287.34 1060.51 472.26 2975.75 278.04 1270.27 12109.51 25035.38 4792.97 2262.91 4922.56 3983.7 1633.06 1700.53 1702.43 3137.65 8847.19 5536.33 6706.18 4453.37 5486.51 6963.13 8836.55 5992.2 5458.78 6382.05 9228.94 4969.04 6099.39 6580.44 6090.65 5207.7 6516.3 6292.53 6275.62 8245.65 8319.0 9086.49 9607.26 8503.49 6598.46 6505.02 5324.18 4984.11 5481.49 7836.6 8925.48 6455.92 7023.65 8079.85 Ala-Asn-Asn 1687.47 34708.63 11391.68 12161.43 6387.33 11950.04 4773.65 24549.08 24615.23 12755.64 14625.29 11173.83 5952.97 19082.44 7018.63 11931.08 17872.17 8969.15 17701.11 32404.76 23111.39 8308.65 4709.22 1964.76 23994.12 28697.8 10665.02 16122.22 20654.14 5612.89 29437.81 26620.13 21653.31 2148.77 12089.92 22681.19 30874.56 29724.26 12964.07 12615.21 20947.34 14923.95 4986.91 4076.6 18720.94 12866.84 9745.55 5082.14 9318.84 4190.88 17855.04 4778.59 16758.24 5066.01 15053.55 47751.3 11685.23 10897.97 22033.96 10864.16 10848.35 5690.99 37562.5 17361.96 6327.82 15756.77 35949.77 3224.47 26462.39 34970.6 20404.49 3140.77 15756.29 9266.06 22106 12780.95 13078.39 11496.67 12755.27 13477.38 12682.94 11084.16 5195.91 11606.07 Glu-Tyr-Leu-Arg 30924.79 52014.39 44925.89 38772.63 43505.13 91004.76 38581.82 80453.27 213360.92 67460.04 43157.68 30043.6 41465.52 30317.92 45660.26 42769.13 27621.22 27881.33 41333.54 62096.2 64640.03 60941.74 43386.42 45648.49 68930.39 137841.92 72247.59 66646.83 105388.73 53877.1 74829.96 38474.58 78128.39 92799.62 56224.94 109113.38 48052.62 141489.29 51238.87 35277.11 58370.53 55189.63 49993.04 26637.22 73423.72 46590.26 92811.45 54014.76 29751.07 58068.53 27447.59 51305.89 36590.04 45567.13 31958.15 39992.54 10430.04 21024.42 46004.37 36107.19 18470.18 11541.96 52390.61 74274.35 50284.24 36995.98 42687.27 42901.57 60087.88 61905.24 148833.93 103450.4 48799.52 60509.95 41862.16 59213.26 59550.59 57908.91 59627.81 58819.13 62477.05 59922.62 59416.08 58847.65 Arg-Phe-Lys 7020.25 9534.78 5620.72 7042.08 4684.66 2373.37 4187.7 11730.98 7041.29 5607.72 5118.52 6231.33 11668.89 7900.66 5818.32 2104.79 2327.08 4840.22 6891.31 3767.74 5616.7 5455.2 6034.11 4453.17 9509.76 2784.46 7828.14 6190.3 14029.52 17095.23 2881.01 5516.38 1411.8 2570.49 2288.13 1409.1 9894.09 7880.83 5169.13 5973.76 9194.67 6851.39 3840.73 6334.91 1864.17 8129.86 12098.13 10375.95 8423.66 14010.08 5017.74 5888.97 3764.39 6577.84 5872.67 9558.68 2080.46 6022.25 6381.05 4146.39 751.8 4405.77 3808.72 2769.48 3211.9 8128 4958.23 3654.13 8918.55 8323.15 7392.97 4520.28 1054.29 8782.78 4851.37 6025.7 5785.19 5899.17 6216.76 6332.62 6717.06 3915.32 5430.16 6483.2 Thr-Phe-Cys 2732.64 2063.32 6239.73 8909.92 2279.54 2470.77 18289.33 3359.22 1540.7 2588.28 981.65 11427.06 1169.49 1554.4 8056.3 6672.46 4655.63 6171.17 1155.73 3860.01 8660.61 877.63 1081.61 4771.55 11916.21 3479.93 930.38 4807.65 3916.02 4231.41 2383.71 1129.32 2294.38 4442.98 4367.04 4800.87 10856.81 4006.59 5173.69 5919.14 5178.12 1292.68 4586.63 3487.48 5674.71 3309.97 7643.23 25798.33 2567.97 1692.68 958.64 2428.71 1009.62 1397.72 7817.32 1752.35 5533.97 2794.47 4811.41 2843.32 3817.37 11823.81 2634.47 1307.85 747.24 4502.42 1629.94 6854.38 8187.25 9544.93 1861.32 4285.12 1314.38 1157.99 20543.41 4026.41 4025.36 4703.26 3704.01 2937.94 4093.59 3541.05 3649.64 3973.49 Tyr-Thr-Trp 3160.89 1926.92 649.17 429.08 3535.56 550.85 1278.73 3361.33 3259.39 3834.79 1544.08 1861.66 359.88 723.52 2430.75 2105.98 1310.81 1454.13 2291.68 2079.94 5289.29 1634.5 429.31 304.59 5963.13 6641.92 2860.36 995.72 8616.64 3841.59 1289.22 4153.46 1714.71 2933.17 1175.55 1215.4 2737.35 2760 1888.45 1402.98 3021.05 4868.6 1281.05 1362.5 3047.57 551.83 2196.03 315.9 5355.93 2105.79 1372.29 1428.12 1285.24 1535.99 5923.34 1150 841.14 602.69 2363.97 782.07 519.91 1100.39 1868.9 1888.14 1295.41 1517.47 2909.87 1180.97 2490.33 1398.1 1359 851.6 2249.11 1196.74 2815.56 2933.19 3519.28 3288.12 2931.31 3284 3420.12 2717.75 3290.01 2760.95 Fendiline 2602.68 560.43 753.35 1509.47 693.73 1892.91 1472.31 5412.42 3292.5 2220.36 3912.7 1479.72 570.32 2456.52 3148.45 2647.33 2237.09 2993.9 4788.41 2819.37 4688.25 2343.19 1061.21 1973.41 2773.41 1772.45 1014.39 2565.3 1972.84 940.06 649.77 1272.38 2685.28 2093.66 2445.56 3515.91 2083.97 1141.1 2249.97 2974.84 1872.16 3492.01 1294.29 3136.99 872.68 1960.54 1582.4 4146.89 3390.44 826.5 2388.15 2063.99 1586.86 2633.02 5242.18 2773.02 2636.61 2281.98 2299.15 3613.06 2633.9 4269.24 1756.1 1869.14 1470.63 4118.86 2063.17 1041.66 1455.94 2674.6 1449.46 1707.49 4116.3 908.92 1319.49 1850.4 2309.57 2140.64 2173.92 2632.49 1843.51 2376.11 2307.72 2300.43 2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide 6393.34 4056.14 3026.69 2824.4 3981.3 1162.87 11373.56 2642.51 2361.45 10768.76 13819.25 3856.43 1221.49 11880.01 7632.08 20745.1 10770.16 13589.92 3876.88 11947.69 10001.96 9139.01 3027.39 12096.48 8538.15 11399.63 10143.43 15005.13 4841.82 4394.91 15951.41 2149.27 3048.89 13806.75 12648.82 2460.99 2387.64 1567.9 10487.26 11833.52 9819.13 9828.65 4508.28 6652.2 21180.21 20224.73 12804.41 10813.08 9754.1 35682.49 8571 2276.09 5108.91 16460.55 5182.53 1730.36 1321.93 7507.6 5732.41 5800.01 1824.27 1939.89 936.59 9261.11 6301.89 5356.64 1228.77 12169.77 12777.27 6009.23 10996.07 11282.94 20727.05 9828.07 10349.22 10643.17 11272.05 10760.3 10763.34 10627.32 10900.34 10853.57 10607.71 11279.96 Oxyphenonium 345.77 554.23 868.67 12361.41 56661.68 67723.58 51756.57 847.23 738.59 934.41 624.2 861.56 20358.66 544.15 422.61 290.65 138.66 669.97 354.13 273.6 408.41 1570.39 351.89 431.56 77.43 312.11 162.88 125.42 906.43 357.28 350.63 1103.55 324.29 3261.99 1511.82 676.84 719.15 1783.39 2041.52 959.85 11498.34 3018.45 1073.81 1858.19 485.82 6051.19 948.52 1074.26 705.37 1125.57 1185.09 1316.82 674.39 3093.49 5841.57 1415.77 900 833.8 1123.36 3468.47 1125.25 1982.54 1495.26 1227.28 645.84 3215.28 643.71 1009.85 921.38 275.88 488.86 1244.54 1223.86 1377.85 2953.49 7189.37 8705.57 6672.47 6822.18 5951.34 5444.48 7202.42 7165.13 7211.18 Val-Ile-Trp 4806.09 4884.95 768.48 3788.29 7374.22 11922.78 1761.95 12428.88 14290.09 11839.51 2418.03 9394.12 10811.37 8782.57 7177.46 4653.84 5363.5 4689.33 1697.6 15342.83 8848.45 3610.78 1262.59 999.3 3416.52 12391.7 1523.13 2678.9 21176.48 12778.75 5997.4 5790.57 4770.92 3683.92 5196.46 19648.75 6500.83 5856.36 3734.38 5332.42 18720.97 16354.85 6586.2 4600.86 10102.77 5465.23 22838.13 11469.4 7804.81 16749.52 12328.86 9957.83 7262.57 9326.32 7470.73 7349.11 2165.71 3678.58 7047.87 4322.94 5507.38 3851.68 7081.14 6861.12 2698 10976.52 16614.34 5704.54 3848.53 8704.45 9214.3 6438.05 4308.08 6401.75 6480.61 9708.98 10152.55 9555.37 10030.32 9696.73 10055.55 9617.3 10042.5 9830.72 Tyr-Val-Tyr 540.29 5283.42 951.85 3884.62 7543.83 476.22 371.96 5527.8 1642.87 4391.3 484.38 4357.51 877.88 3582.53 40177.53 4126.87 997.66 11125.89 11983.09 4688.64 4345.15 5239.59 3629.16 8511.83 4200.33 944.91 4628.62 1019.78 2258.17 3032.93 1089.52 6443.3 4079.69 2632.05 2468.34 7983.3 3792.26 3364.68 359.91 2497.21 6747.68 5447.93 5288.57 953.12 9926.73 697.25 2823.01 8825.63 4534.24 7240.52 1091.88 6436.39 4966.28 1339.73 3976.69 8865.47 3359.42 3445.6 3181.07 1026.3 4674.87 3747.24 3346.36 4934.28 4229.98 5077.63 3628.5 1596.64 2419.86 7170.82 2394.09 9365.25 4182.76 3143.44 4698.22 6226.45 6522.8 6489.13 6294.47 6575.78 8014.18 6130.33 6148.11 5062.7 Mangiferin 10803.07 9254.19 5407.86 946.5 9036.82 7761.38 1059.53 12412.82 10650.46 9353.85 7003.97 11473.86 7053.91 8009.04 11391.78 15112.57 984.35 9954.76 13775.54 10829.92 11220.03 12093.94 4919.46 3169.59 13195.52 13880.1 9141.48 4848.1 14855.81 10492.04 11193.74 17027.3 11970.02 6429.8 7459 11845.14 12920.96 10528.68 7069.61 6806.86 9061.43 14775.67 8006.65 5405.66 9107.12 5941.32 10909.54 9092.02 18682.13 15641.89 12830.52 9610.98 7753.15 3947.57 10610.82 10143.76 6563.37 3371.9 9670.48 12948.2 7767.17 7135.82 8926.83 8803.03 8989.24 10432.85 7106.19 10487.2 6705.6 11107.57 8992.27 10718.62 9349.05 4221.53 10257.31 1826425.54 874083.66 1541951.86 2226340.9 1558622.87 1693849.38 2712046.31 2019690.91 2878411.95 2238855.7 1791897.14 2260758.54 1630601.13 2079800.37 2433725.86 2035815.37 536145.35 1412718.95 1096118.05 602638.56 755330.76 2778922.86 2092149.3 3199392.65 2172047.21 9878.16 9949.27 9805.11 9796.16 9953.94 9795.19 9949.23 9750.35 9948.1 Gln-His-Phe-Arg 1663.75 3185.27 3196.03 3299.75 2602.9 1457.24 1288.55 1728.02 1253.95 1316.17 4077.4 1047.23 1551.75 1896.08 1290.26 2851.21 761.28 1037.13 6903.17 1784.65 3355.6 738.9 1291.94 1945.96 1144.34 1403.44 4546.57 4066.93 923.2 1757.61 1248.18 2107.33 1437.93 5974.53 1852.17 1341.54 2239.56 1141.48 3849.22 1683 3675.82 797.97 5809.91 2645.73 1305.35 2926.68 489.8 3967.75 12829.63 2853.5 6028.56 2990.98 4434.67 4373.56 7161.65 3150.09 2315.69 1194.17 1687.73 2648.96 6679.23 5654.96 1087.64 2546.79 862.8 3621.27 2617.16 3338.47 2782.4 3384.91 2197.35 4122.64 3094.14 2860.51 2296.88 2492.06 2848.98 2672.02 2782 2773.72 1681.75 2805.33 2994.04 2815.91 2-Arachidonoyl glycerol-d5 1170.94 1318.22 2687.03 4134.94 3314.34 3063.3 2135.97 3475.4 1459.67 1722.26 737.52 3230.95 9152.86 4417.44 1894.51 5743.89 7073.02 3229.43 8440.53 3215.47 2272.77 349.66 1557.8 1526.39 711.55 1535.09 1936.25 1614.29 1842.07 1815.58 1738.45 5058.37 1254.29 2852.68 2986.92 1267.53 448.92 1819.74 2960.58 3896.24 48594.6 5012.06 3333.87 3250.15 3678.2 7908.45 1994.28 3664.25 2860.78 11606.1 2049.36 1697.1 3829.01 4482.78 1687.81 2467.89 3560.2 2396.95 2323.54 2102.19 4441.47 2340.54 1525.7 3797.77 2169.18 2365.77 3803.54 3639.02 4545.16 4025.67 1791.75 2089.38 1843.61 8386.42 5309.47 4315.56 4451.46 4458.05 4590.03 4385.82 4453.27 4455.88 3731.12 4348.36 Propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)cyclopentyl]hept-5-enoate 4321.94 2183.92 2345.99 2744.12 4048.29 361947.31 97844.27 3308.98 1910.59 2198.25 2537.83 2711.58 3107.63 2992.52 2347.48 2461.63 2999.79 315.26 2218.74 3518.86 2937.06 1757.89 4932.84 2401.53 2312.36 2670.03 2361.49 2207.48 327.4 2822.67 5070 91772.42 1914.24 2629.05 3631.69 3385.56 2478.02 2306.47 2481.18 2096.83 11144.69 2750.54 2152.39 2003.54 2352.49 5357.39 2849.23 2434.88 2289.24 3235.46 2782.44 2316.99 2472.66 2172.74 2233.23 2414.17 2149.06 2002.49 1970.43 2804.83 2021.83 2535.78 2306.03 2313.84 1528.27 1774.09 2799.11 1759.47 2128.7 2330.15 1997.24 2137.49 1888 2323.31 3432.01 12840.77 12935.26 12698.13 12936.22 12689.86 12690.45 12954.46 13052.84 12662.73 Leu-Val-Gly 4500.44 5909.39 5651.35 4921.3 5429.8 1715.2 2616.82 6082.18 4868.59 5315.37 5217.5 5531.75 7497.05 6044.4 5063.32 11600.67 4147.62 5174.64 12976.71 3473.06 3872.05 5435.03 4131.36 7521.27 4431.55 4744.09 8991.4 7241.43 3493.29 4475.63 2757.33 12864.65 3034.6 8202.86 5939.64 5149.27 7501.39 2729.02 5399.08 4389.94 2940.3 5236.7 7614.19 5548.81 4371.18 7129.72 1519.63 5574.52 8057.46 11426.83 3021.11 5580.59 8037.51 7445.86 863.03 4080.99 2731.58 6267.2 6261.77 15576.07 7926.05 11675.31 7633.62 8243.64 13049.24 11044.67 6228.02 9221.46 4097.71 3051.37 7393.46 7340.57 10953.57 6453.5 8134.13 6877.55 7174.4 7373.84 6911.55 8454.52 7365.29 6799.86 6972.12 6958.46 N-[5-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanamide 14574.28 17039.57 16274.3 20299.99 20694.67 20498.17 5279.98 29724.82 17693.2 16777.36 20706.54 11539.37 13461.85 16272.85 16529.03 17379.52 14491.43 17432.81 18997.46 15501.21 21532.37 12306.74 10650.49 17111.9 15810.3 16880.9 16873.2 17974.72 18478.54 18737.83 18183.82 24031.89 12001.37 17228.8 17823.55 11432.17 17238.27 15453.56 16848.32 19520.2 6608.19 20587.3 19110.36 14301.05 18599.3 17915.33 17409.96 15116.62 14238.84 3737.39 14680.27 17257.75 17563.37 12492.98 22583.85 8199.76 15514.68 14145.23 18028.29 16249.11 17048.63 17390.68 7182.28 17645.91 15723.92 16409.29 12764.46 18010.32 16490.06 19132.53 11825.37 19468.35 15320.25 11932 2926.97 8297.22 19105.19 7930.39 8026.05 8379.46 9173.26 8574.3 7842.79 8174.74 8487.63 10175.48 7964.61 8041.41 8158.06 8420.84 9858.26 8719.29 7982.41 8151.98 8695.98 8312.26 8441.86 7917.53 8202.31 8345.75 14657.18 6959.71 15328.55 15216.34 14797.99 15555.36 14558.55 14531.58 15322.02 PU-H71 hydrate 1431.95 1025.5 2673.27 1360.39 1311.84 822.77 705.05 1265.48 963.23 1699.68 1958.06 1261.15 832.04 2373.89 1513.32 1026.09 1695.33 1085.16 1954.82 1272.74 1162.2 2099.7 2847.24 3400.2 506.5 1438.21 1185.24 2437.24 1169.37 1592.26 1135.84 3948.1 987.35 2056.74 4541.77 507.99 1122.9 1072.55 3332.3 1052.47 695.07 1337.48 3240.57 3183.22 1186.66 4165.02 1177.02 1535.68 1696.67 2410.78 1274.14 1076.12 2266.43 3733.38 652.54 861.9 2753.82 4552.65 1033.15 2050.32 859.89 2295.57 1371.5 3078.95 492.26 1005.12 1031.65 1156.78 1398.95 784.52 1092.62 4671.15 2281.17 4445.89 4454.95 1731.73 1688.38 1819.09 1761.62 1803.85 2030.19 1718.32 1720.84 1683.94 Met-Cys-Leu 9109.31 8929.66 9814.03 19279.77 14409.74 4605.27 13802.91 7662.68 6463.26 4545.08 5905.86 5364.46 5759.63 5806.37 10013.22 9112.25 6323.57 8582.15 4609.53 2278.16 9175.41 1195.22 7015.41 8267.6 8431.02 1045.46 5152.23 2466.1 4204.37 3996.53 8504.81 721.17 4182 4586.1 6107.39 5480.04 9956.89 1830.6 8932.3 9415.38 5423.26 1397.86 9573.93 5752.25 7269.75 8946.3 9852.85 9295.55 3251.74 5816.92 5972.76 11625.64 6137.15 3533.28 11385.39 10077.31 12158.41 9014.41 4772.96 4427.7 6700.42 9346.43 11109.6 9674.15 4545.03 10768.87 5939.81 5477.31 8067.24 11248.32 7348.2 5529.68 9007.96 13736.16 22326.84 8757.59 8579.33 8716.64 8943.73 8720.9 8575.82 8344.89 8555.41 8727.05 Thr-Thr-Asp 8237.08 274.35 384.91 928.17 5013.26 711.73 1337.48 9813.65 5241.5 540.65 310.69 2492.9 1065.95 2009.94 1422.97 2537.89 2219.23 4472.45 2960.86 778.37 5603.28 952.53 319.67 598.63 3580.56 1517.11 1362.95 3788.18 9993.69 7794.69 11463.34 4156.25 755.19 618.05 735.15 11051.14 6326.52 639.88 2310.62 3080.79 11393.35 5221.25 539.86 1762.76 5293.54 1951.43 6335.59 2233.57 3403.91 5817.68 6629.07 898.07 1138.51 1373.86 6283.46 858.76 760.02 554.61 3532.93 450.01 1096.29 991.81 1503.68 1262.29 329 3836.4 3068.57 4726.38 4632.15 7036.21 1237.84 3224 3171.23 743.71 757.58 4807.44 4710.38 4966.72 5680.01 5005.69 4672.61 4737.85 4860.08 4454.3 Cys-Pro-Glu 81105.93 38850.03 1857.73 4586.72 50123.01 39292.53 19104.37 62723.25 66180.72 38895.91 21277.15 14187.38 6199.63 24814.63 52641.29 44994.97 21924.29 55018.62 21694.58 126671.61 57218.17 16660.44 7164.74 13689.3 39643.05 60853.49 33497.36 61747.04 132590.56 42476.22 76225.72 54085.15 38416.9 10992.89 9991.57 49599.79 42277.03 30005.48 17534.87 26786.36 63598.56 63839.38 15355.57 18266.88 74077.9 17931.3 82809.62 10872.77 42563.83 76874.79 33806.13 40985.85 11699.18 5328.83 36808.8 17494.73 6179.75 5229.17 45977.11 5848.86 7133.74 35426.15 17744.16 12500.23 13819.51 36501.9 25568.25 35443.08 44065.34 43317.95 70165.83 37877.16 39117.32 10641.88 6919.8 37903.74 38619.29 37974.6 38106.39 39001.15 38551.92 37913.47 38617.67 38184.08 Pro-Cys-Glu 6590.5 1284.84 747.94 891.99 3866.83 807.36 1579.4 1670.38 6252.59 3346.93 358.16 3899.58 505.38 2252.78 1151.38 1668.32 1792.15 3977.98 1688.96 7780.54 7166.9 1146.17 486.55 1004.18 8079.64 2424.17 1032.15 3956.99 4955.73 6286.59 9780.44 2869.61 2628.74 801.82 1059.62 4872.89 4748.73 1657.62 2211.57 3925.16 8448.2 5214.53 764.36 935.5 4816.69 1487.68 7775.02 925.74 3910.96 851.73 3341.81 685.08 1375.56 917.79 2770.57 970.97 703 958.34 4298.2 8813.52 1024.19 542.19 1908.72 1835.4 2353.95 1552.58 3184.72 1113.02 3048.98 5719.97 2495.37 1265.89 5204.52 3479.5 2039.07 3881.98 3784.06 3899.34 3843.32 3520.44 4179.4 3781.71 3780.13 4112.04 Lys-Ile-Lys 502.55 10194.83 360.29 2022.13 1796.62 1943.6 710.54 1232.5 1308.55 1146.07 1768.92 1100.23 584.57 505.29 741.42 1472.91 976.49 617.57 443.13 684.37 914.85 2204.07 1584.65 660.95 506.43 456.21 9982.38 539.69 1083.59 431.43 1166.63 503.63 1188.9 1691.9 1232.06 1710.96 1324.14 1751.06 1329.37 1970.04 1419.38 5324.71 1307.31 1172.65 2206.33 1457.48 1963.81 840.78 1164.41 2917.17 2134 1458.47 1072.08 1723.42 1112.64 547.71 707.79 933.31 875.65 1048.65 1559.42 1223.4 2314.72 1498.32 1109.34 2360.82 2235.87 1511.51 1277.97 893.2 1138.92 1186.71 3232.66 2487.37 2793.6 1624.27 1998.7 1839.27 1880.91 1847.2 1907.87 1858.83 1847.46 1892.46 Lys-Met-His 3948.54 4165.56 2164.28 2614.47 4881.66 9902.11 5504 24535.36 9256.04 10393.05 4580.51 2104.6 3782.91 6590.17 23146.25 7225.38 3910.68 20789.98 26720.99 17291.97 10780.55 9155.71 953.52 3935.1 12268.66 15773.15 5201.49 776.84 13875.56 8066.07 10959.14 16871.95 13834.49 1073.52 736.94 16060.61 18326.79 6255.93 1777.42 766.2 9183.22 24315.02 6512.6 3849.89 12309.66 5948.73 19594.25 14592.21 6424.41 11579.61 1731.65 7425.2 554.91 5469.32 9520.56 9230.34 2701.16 928.69 20786.13 4972.56 1269.7 2231.76 8920.95 3134.01 5397.54 6263.71 12338.06 4392.76 3987.94 19946.6 8525.29 9316.68 5255.9 5273.69 2144.89 9323.99 10549.33 9094.65 9126.09 9525.05 9063.63 9331.4 9489.9 7642.22 5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one 4276.37 11071.3 3976.13 3200.16 6809.84 23272.42 929.48 1029.74 8894.48 8790.36 4977.81 2419.56 2988.96 2572.12 12593.7 8432.93 3517.43 7608.65 6630.61 12044.2 8230.63 9781.44 4261.84 3167.31 8120.25 11989.57 5540.27 2513.6 7423.65 1353.84 7600.44 6864.39 8970.14 6177.05 5472.16 5339.31 9020.48 11331.92 5247.73 2850.15 5943.4 9670.16 5563.82 3336.31 8350.89 3689.11 8195.17 4825.02 3339.98 8366.94 3091.85 10395.54 4650.86 5506.03 6011.87 19369.39 3709.18 4114.95 7208.49 8947.53 3830.32 3955.15 7399.04 10193.81 3579.82 8437.32 11157.76 3991.74 4724.12 8171.67 9156.88 9334.53 5750.27 4529.74 3853.51 8239.38 8738.71 8416.73 8221.45 9226.36 8246 8484.51 8273.48 7830.06 Ala-Val-Val 1255.44 6786.55 2530.47 4893.27 5764.06 4469.73 3007.86 18685.3 7603.16 13574.43 1486.46 9245.85 1872.29 1420.89 12161.22 5248.19 1875.07 17794.35 4323.42 9922.51 2425.49 2341.61 1195.61 2100.61 19859.02 21194.69 5496.23 1611.51 8933.69 2598.6 1230.96 3620.15 15516.51 2473.17 5206.71 12982.61 5417.19 1852.89 956.59 6551.26 3404.22 903.41 8296.55 871.78 4455.39 3881.61 8043.27 2249.93 5172.41 2435.47 2498.46 2650.82 2839.45 6833.26 6581.78 6982.52 3323.77 13780.97 12192.44 10252.48 1392.26 1667.73 18426.21 19597.7 22884.95 6365.27 2160.66 898.97 1343.49 13761.73 15901.49 2236.3 5008.74 29346.5 1643.91 6155.97 9057.25 8702.25 8960.51 8931.99 8703.92 9125.33 8714.39 10051.27 5-Hydroxydopamine 8687.97 8745.18 4156.27 7731.94 8327.88 10710.68 12412.55 11348.73 11821.1 7866.75 5886.07 7934.15 7945.52 6797.6 10310.67 8328 6009.68 7737.72 9608.55 10909.93 8689.62 11256.66 6530.19 7489.61 11688.52 20028.74 8460.75 7757.81 16773.01 6364.47 11159.86 14881.37 5429.66 10847.27 6975.67 11827.44 8177.38 7074.53 7177.76 17900.3 12585.08 13836.89 7817.36 4135.27 10816.5 5091.2 11308.62 8070.68 2466.12 12586.65 9260.71 8992.33 6646.34 7301.78 4454.13 9722.8 2473.1 2421.91 9010.57 8167.63 4861.44 8768.96 7652.64 4758.17 4783.59 6251.31 10669.94 7941.77 6690 9674.31 9644.87 9620.09 7043.67 5799.7 8781.38 7470.59 5069.68 7479.28 7274.3 6586.11 7294.03 7691.88 7483.09 7469.56 Grayanotoxin I 7397.91 1829.95 1228.17 7851.83 1674.36 5008.49 16625.31 8485.39 7224.74 1204.35 16275.46 4824.11 1830.8 685.49 6697.3 3361.72 28990.96 6452.67 2209.79 29644.91 3436.58 5953.33 6691.48 1258.81 5823.5 9424.17 785.58 2157.31 9403.1 4043.98 5764.99 4440.03 5081.78 10018.78 10630.9 3389.11 17759.45 4356.9 1760.29 10727.37 6509.87 15287.61 5944.26 14180.53 10697.73 17547.1 12514.38 6066.73 15293.91 17098.92 1854.48 7866.26 5099.6 10482.06 1999.04 14569.41 13453.35 16487.47 21822.3 10568.26 12898.22 1005.42 15637.54 27861.48 29752.86 6666.51 25486.61 3551.36 17837.28 28229.07 38463.09 13158.67 26806.75 19922.66 15712.2 12563.93 10521.62 11024.36 11047.15 11133.16 11244.81 10239.64 10898.12 10342.61 alpha-Phellandrene dimer 1287.97 862.42 1850.74 3661.09 6651.56 8284.21 9172.11 2395.51 1944.3 837.95 1460.01 1499.77 6480.34 1431.51 1668.45 1227.46 2070.21 2184.25 1925.38 1875.44 1419.74 1016.85 886.54 1902.39 1600.24 998.29 990.76 1868.78 1363.81 2295.12 1661.98 2343.96 885.16 2189.95 2169.13 1437.81 1542.43 1623.37 1105.13 1460.64 5008.26 2086.3 1137.29 1240.21 1341.37 9111.9 1602.39 3112.75 1137.03 4525.98 2145.71 1249.02 1458.9 4031.78 1948.37 1017.72 1266.17 1708.79 1230.52 3412.77 1464.3 2138.13 1074.1 1422.1 1271.1 2206.61 1056.13 1177.6 1460.41 1121.02 1563.72 662.8 1356.94 2153.79 9423.2 2816.33 2784.45 2677.98 2780.64 2669.93 2688.72 2700.09 2795.39 2671.17 His-Thr-Lys-Lys 8649.14 10950.04 7102.17 8498.1 18528.59 14692.92 7631.31 5490.86 5939.9 7023.69 3336.44 1937.07 13208.24 8107.36 14614.81 1447.78 1031.72 11399.07 5976.24 12496.01 5329.42 10351.08 4149.31 4341.94 6260.9 9233.82 2602.14 2741.46 5010.24 3366 4196.19 644.27 1983.93 9479.61 4032.56 9782.33 10557.85 16602.86 2903.39 2636.21 6929.64 4965.26 3796.26 3566.06 6092.05 6906.84 6078.05 5228.45 4275.86 9437.22 7938.06 11206.21 7312.78 10582.19 8148.86 14879.55 8171.37 3727 7021.74 7991.07 2976.56 2422.87 9754.52 1926.74 1463.16 7412.06 3189.14 3213.29 1247.07 2028.16 5047.58 3867.53 4373.69 5851.81 5033.07 35910.78 17483.56 12760.22 4531.96 6335.23 19526.65 36621.95 32329.03 1066.09 6709.72 14339.85 22367.82 26873.5 31156.35 2318.77 28205.87 3353.52 30285.11 51588.24 3648.85 23191.63 22280.35 11880.42 20171.12 15464.88 7174.83 6975.3 6147.7 6766.38 6983.3 6712.75 6948.19 7009.61 6647.53 Ile-Val-Val 597.14 2800.85 2005.74 1759.92 4105.02 1641.32 1299.35 5624.82 6145.92 2906.08 400.04 1464.03 614.22 915.25 5689.55 1394.59 659.41 778.93 2631.21 3057.18 417.02 946.13 494.89 926.48 6425.62 8397.3 3737.39 1193.71 6678.5 606.86 1145.49 1617.25 3667.18 891.88 3201.71 2095.13 4004.45 1007.07 665.47 6817.7 1016.43 1314.69 7732.67 682.49 1105.23 333.75 1619.25 454.46 1235.77 1437.63 1405.83 329.35 531.14 3473.66 820.73 471.73 1634.4 7312.27 1635.73 2435.91 408.12 996.56 9177.19 6656.04 7938.72 1654.1 808.36 565.38 857.19 4628.85 13000.15 568.73 1726.81 9514.54 787.71 2105.48 2477.93 2132.8 2375.9 2357.79 1900.56 2270.14 2220.48 2324.76 1-Hexadecyl-sn-glycerol 3-phosphate 315.58 136.92 298.26 6666.75 1730.86 1372.54 1660.49 196.07 302.27 289.13 311.28 549.48 2786.11 551.26 592.86 483.74 583.55 340.57 601.99 433.42 330.75 494.48 92.96 268.71 203.2 570.49 638.19 198.35 655.54 347.38 992.07 292.45 122.37 419.24 313.85 373.03 391.47 1251 673.26 393.98 2923.57 818.24 469.59 395.88 552.94 1878.14 402.31 599.41 613.71 593.08 1723.42 193.38 105.22 949.91 1944.22 467.7 568.27 354.34 567.54 2154.62 114.83 2427.55 839.58 354.22 240.72 647.4 318.55 407.74 153.58 542.77 275.68 148.18 452.11 243.12 967.17 3211.68 3324.81 3330.55 3263.43 3291.98 3225.23 3335.75 3222.56 3081.78 methyl (1S,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 152045.88 114446.26 59971.24 212788.11 1048780.95 445982.77 362904.42 197993.23 215826.93 132384.87 100202.39 219274.74 376612.07 89637.52 167635.18 397083.11 98491.45 159644.59 221437.83 196983.93 250520.79 153182.24 89493.86 86384.04 195077.59 160828.57 158903.94 78844.54 283103.23 197039.74 165482.39 426556.96 139030.63 185889.38 139283.51 151495.59 146624.91 111600.05 70776.19 79373.08 232604.69 310546.57 89276.3 68510.43 255901.06 364918.43 151516.86 117436.33 295178.16 399250.28 250551.18 122264.15 113988.1 275517.44 239912.55 125502.49 40495.64 39903.04 223478.36 251410.6 83685.48 114739.03 169929.47 114987.24 72728.05 309531.98 155272.6 102368.35 90879.5 154561.96 125640.41 145025.18 99229.86 135148.59 232959.94 218622.63 219103.25 217576.8 219094.57 220657.8 219091.26 219061.07 217227.9 215213.48 Asn-Leu-His 566.13 380.93 363.54 7822.08 41423.9 33500.49 25873.92 699.24 727.15 506.85 463.19 151.44 1705.91 727.32 554.58 650.74 2836.71 409.34 793.69 517.09 626.13 868.18 254.18 949.55 424.46 416.15 667.82 142.73 402.84 646.43 528.87 2147.93 230.89 282.42 710.13 427.42 1049.24 216.48 953.02 647.77 622.08 765.54 1119.59 305.52 342.13 864.95 402.37 647.98 803.8 678.42 644.3 1064.26 932.65 732.44 1603.78 483.56 930 170.12 552.35 162.1 218.42 360.87 356.35 949.55 271.17 863.39 595.99 2164.7 238.97 275.48 337.77 312.44 627.97 1296.27 1710.61 1899.71 2550.95 2207.73 2962.6 1650.65 2942.77 2440 1938.02 1855.99 2-Aminopropiophenone 6369.15 25032.15 44975.72 31750.97 8271.98 13626.16 10904.05 5733.93 2650.01 7335.8 2515.82 6625.73 19653.24 6775.79 5009.43 7690.11 18169.32 4912.13 23222.74 12111.35 1799.62 17261.62 12004.69 14139.85 2668.36 2567.4 2415.84 3825.69 9733.6 4970.31 1828.15 15645.07 9974.77 8543.67 9558.82 4425.34 3330.1 23330.24 4427.9 7759.34 1601.84 2978.29 8237.79 4093.08 9045.62 1934.34 3417.93 11757.95 14747 2779.81 1807.84 22880.23 5352.11 6156.04 5321.95 26327.67 31264.09 30077.49 5417.65 38409.61 11433.95 25591.56 3504.53 6245.71 6159.93 8344.22 2850.35 4801.26 3219.19 2799.08 2130.7 10546.07 492.33 22222.04 4279.84 10179.6 10189.46 10175.74 9818.66 10127.43 10299.95 10125.99 10442.65 10125.57 NCGC00384512-01_C20H24N2O2_6'-Methoxycinchonan-9-ol 361.16 555.62 182.06 14839.66 9245.56 22747.11 26522.23 786.9 469.95 377.83 319.51 247.23 11614.74 1217.85 390.33 2720.52 1470.07 590.32 181.13 406.54 791.54 2624.25 711.65 197.14 210.01 572.79 493.93 395.88 1272.89 197.29 412.96 1349.89 749.2 1244.53 214.91 271.76 471.44 1096.4 733.77 728.64 7038.07 548.6 782.55 868.26 182.33 11946.22 774.7 1557.17 616.73 2289.4 765.86 538.98 1025.28 1403.62 3255.8 656.05 1156.02 767.6 641.06 984.51 734.91 789.94 733.13 1413.82 1068.98 1339.15 737.88 728.29 924.95 474.24 725.89 491.39 797.78 1044.85 2287.72 2348.5 2453.2 2254.06 2263.35 2355.7 2350.26 2354.9 2354.98 1851.17 Lys-Ile-Ser 8638.31 12763.34 13558.53 12767.51 11462.17 15119.44 17661.47 20306.14 10115.35 3232.17 15965.75 3538.72 7633.09 12017.12 12830.85 9805.53 8847.65 9288.9 8887.04 15394.54 18460.34 10876.89 6607.68 11789.96 9877.47 11999.4 10775.18 8405.51 5321.48 10901.16 11195.23 11569.36 9141.74 11509.41 10923.69 11124.33 8651.15 10060.32 10726.67 11891.96 13090.64 5354.06 11327.51 10521.25 8601.2 9980.14 15439.22 11291.9 14500.01 10564.41 6131.78 9209.44 10635.92 7858.39 15092.9 7386.21 9746.32 13688.3 10584.74 13227.11 10772.41 11181.02 11286.02 11166.07 10275.69 11031 13152.21 11642.44 14884.91 10373.48 12206.64 7362.26 11767.35 13611.67 11142.76 8571.52 9531.11 9430.73 9495.93 9764.92 9751.3 9713.68 9744.58 10113.29 Met-Ser-Gly 47107.49 70338.06 163609.54 216467.17 52529.71 21038.67 88908.83 56383.67 48746.46 53420.53 84654.43 82146.4 62688.35 97278.97 84694.57 106757.65 65042.03 78355.7 42272.47 47094.05 30486.27 29520.97 67409.03 93238.48 52580.38 52051.17 52231.99 41355.12 61497.44 12580.66 61588.4 32389.48 34511.89 201568.67 159397.23 44960.74 59578.96 60424.27 66888.64 136768.02 29672.7 35119 117219.3 166131.78 57617.53 64254.8 59266.68 64610.02 32812.73 42015.9 52893.56 89335.48 135531.6 139527.6 82085.93 109061.85 199550.51 171528.67 42823.93 48602.69 88811.06 137323.61 135715.88 181424.54 101116.4 102016.38 61489.12 70374.14 98113.26 70278.42 40658.97 63241.3 127216.97 207956.13 160067.82 78013.5 76729.58 78026.23 77932.48 77451.17 76614.36 77486.51 76612.51 78099.01 Leu-Cys-Ala 2232.73 2863.87 2175.25 2514.19 5891.7 867.43 442.09 336.76 313.94 602.58 1606.67 2813.95 994.63 1019.46 5570.19 2752.83 1649.56 2934.76 2707.68 5248.35 1636.16 722.5 1427.76 1791.21 5846.9 4051.32 1841.91 1777.34 4340.07 1824.64 3440.24 3992.83 2260.43 1732.17 2023.42 540.46 2207.94 3101.45 1720.18 1700.49 778.38 2841.82 2946.85 2181.14 5451.85 598.34 328.67 2132.73 829.87 2463.31 392.12 1304.91 1674.55 2442.79 2081.4 5001.37 940.94 1507.73 719.54 1892.3 1532.56 641.96 1054.13 1022.35 3929.04 2509.87 9891.17 1242.93 1888.95 5675.83 2734.11 1996.05 2288.53 3180.64 2698.59 4397.95 4414.05 4518.09 4437.15 4474.57 4743.75 5171.51 4735.4 4761.39 Val-Pro-Val 13267.79 13314.64 9096.54 7466.8 1354.45 2265.05 2930.01 11357.36 12661.8 14324.09 11748.49 9831.72 6245.64 13262.89 10505.19 8540.65 9224.24 10269.23 10359.1 10302.8 8732.96 10297.64 7557.79 13646.99 11205.67 14596.89 12812.42 14442.32 10488.41 13088.54 10636.97 8800.73 9761.16 11332.72 12232.98 11845.29 13837.61 14250.95 14446.17 15637.1 6985.85 8804.95 13053.31 15325.94 10670.79 6799.41 10682.51 10451.56 8766.32 8655.98 12087.05 11263.31 12118.66 10801.37 9443.45 13201.04 13281.95 14633.55 13141.84 13060.22 14099.6 13635.32 11866.76 11716.04 11055.42 10397.91 12658.63 13297.33 14452.68 10659.11 12472.2 13342.87 15622.4 13582.98 13730.99 8390.2 8291.67 8188.3 8203.75 8387.36 8178.96 8389.58 8211.89 8382.65 7-[(2R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]-3-methoxyheptanoic acid 11213.54 12555.46 10095.88 7755.05 4609.89 7414.49 14756.34 17620.52 9948.82 12165.39 12978.73 8502.81 7889.25 7236.43 10565.63 16652.31 11950.99 8035.8 7967.8 15487.78 12743.4 8183.54 8037.37 10790.23 13899.04 9841.43 14109.61 8692.58 15476.76 10069.35 17334.64 11673.62 10132.94 10800.64 11245.21 18425.49 10276.03 11460.14 11573.26 13225.58 9622.07 12526.9 13891.34 10008.63 16369.32 7999.19 14959 11170.87 4240.35 6435.04 12989.16 7805.46 8477.63 9643.24 14799.6 12362.79 10339.82 10909.05 13213.86 10323.69 8931.13 9254.45 10730.94 11138.32 13466.93 16467.92 10187.49 9830.48 11252.72 15617.36 11426.96 9525.12 9215.36 9025.55 9280.29 16720.95 5181.18 3836.39 15759.16 12296.5 15507.4 12000.94 16856.32 20404.9 13743.02 9206.97 3938.54 12272.85 15189.87 10910.26 7451.6 2561.96 10584.47 10200.19 9068.24 12268.74 10586.74 10854.73 9822.65 5950.15 11193.61 11880.66 11100.52 10954.62 10883.2 10357.32 10802.93 11066.25 11236.27 Asp-Asp-Tyr 961.9 13676.7 199.39 765.68 3128.96 181.78 1270.31 8154.98 11989.09 1994.49 866.18 426.16 396.7 1028.42 9958.39 662.37 304.47 11333.4 7128.32 10516.18 1538.09 2395.63 1009.5 1277.54 8920.11 10686.17 1706.33 1377.34 1317.14 1976.99 8912.44 1145.68 11578.42 393.13 848.84 7624.42 14092.45 1340.29 2421.13 2922.77 816.35 7427.95 6542.54 639.35 13528.88 1950.6 36850.02 4268.33 445.07 19946.22 337.93 4678.85 2788.85 2509.73 2466.19 4319.08 1410.12 2174.76 10070.57 900.62 5443.58 1634.23 1032.79 4498.49 12858.61 3936.46 1120.28 1039.53 8561.77 6844.38 17699.83 5712.21 5180.18 1452.35 338.69 9903.03 9904.87 11901.81 12074.01 8314.45 8488.04 9541.65 7559.56 8051.44 4-(Isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide 18536.73 14948.58 6013.22 2972.19 16248.44 9737.73 5649.34 24412.41 20288.5 13333.25 2273.67 12362.26 15604.77 10858.15 17941.64 11654.56 5811.89 13003.09 18613.17 20045.05 19464.44 11194.24 5524.6 4250.18 17908.45 17834.97 4282.37 3580.26 27078.87 10868.65 17367.4 15515.83 8583.79 8481.59 4943.76 25022.8 16446.12 10996.6 5267.7 5226.69 25598.99 35182.35 7188.74 5711.89 16603.84 14596.89 23829.33 13952.3 13741.58 21418.32 20030.51 15582.64 9127.87 12016.91 13350.39 15804.08 3816.61 4382.61 15070.39 3284.89 3748.85 3014.48 12045.08 9238.95 5489.49 20608.75 20420.49 7287.05 8805.46 14205.89 15082.16 10867.67 7342.85 10438.61 9617 12848.73 13071.03 12852.99 12855.66 13064.76 13069.81 13060.74 13154.65 12085.77 Gln-Val-Ala 7712.71 8916.73 9555.1 4391.84 9457.88 8191.81 7150.46 10065.03 10897.01 9534.24 3013.84 6683.21 5136.6 9536.55 8795.72 10346.54 8079.05 8618.55 9670.5 7935.66 7034.58 37829.25 6375.84 7543.62 9247.86 8370.57 8639.88 9330.9 10600.01 7730.21 9016.11 10463.86 5338.69 8355.11 7460.64 9454.54 8310.34 6667.13 7687.16 8079.8 7743.92 6081.37 9307.4 3895.95 8257.57 6324.34 7873.65 7932.32 6964.56 7782.85 7659.66 7565.7 8250.49 8560.9 5903.17 8059.71 8964.49 8245.61 8095.57 4640.5 8966.65 6507.16 5721.93 8279.24 8544.74 7979.21 7287.69 9311.21 7807.26 8373.98 7826.28 5704.68 5373.06 5775.26 3652.58 6802.38 6809.79 6801.66 6653.11 6873.31 6086.44 6643.81 6639.85 6653.05 Gln-Leu-Ala-Pro-Ala 3378.37 3274.25 1069.23 1489.47 1891.06 2544.39 1956.27 3666.91 6584.57 997.31 2243.66 1385 3168.4 1204.88 3467.88 2151.7 1260.34 9205.79 1997.98 5485.09 3570.3 8498.52 2968.04 1655.45 2893.84 5236.17 711.52 452.78 9711.44 6500.3 5154.14 2727.54 2020.65 1153.31 2608.04 5964.18 4249.24 3014.9 788.23 3672.4 4102.78 6764.38 1116.84 2011.39 6054.64 1339.51 4009.49 3663.24 4562.71 3954.08 3304.39 2321.53 1363.17 6345.22 4616.8 4549.06 1767.8 1865.11 1518.5 2498.07 2313.98 2230.49 2308.4 1910.64 2117.14 3032.86 4835.78 1824.36 3351.27 3149.56 4178.29 2369.03 1774.87 2160.54 2187.39 2890.04 2299.51 3244.98 3156.4 3360.02 3269.51 2910.36 3503.86 3329.18 Thr-Ser-Gly 1996.58 1458.09 7169.26 5024.32 928.6 31768.03 6904.43 4510.39 2645.15 2724.19 2138.87 1911.67 1455.2 2125.26 1493.83 1174.73 1658.45 805.81 2272.59 2520.65 2208.07 20869.77 11943.14 16574.32 908.72 737.03 3004.8 2747.7 2872.99 1066.3 560.97 3330.67 2822.73 19229.85 2524.34 435.66 1133.66 15312.16 1531.1 566.24 1496.92 3418.17 1922.98 1125.8 1452.9 1012.66 1198.94 3321.89 1289.86 3561.45 2214.84 2040.42 2645.28 3550.48 718.26 1316 3101.23 1815.9 1489.01 15154.21 2131.28 11944.41 685.39 1999.57 2961.14 771.57 908.71 1366.59 2140.15 745.19 1267.88 2733.76 3230.62 2377.31 3714.74 2898.03 2614.99 3531.51 2746.5 2634.33 2848.38 2629.59 2991.97 2933.4 N-tridecanoyl-L-Homserine lactone 22064.46 30539.93 56003.67 74100.54 52775.86 72471.37 56911.98 22729.58 10308.09 23188.19 11615.93 38024.91 109595.16 46005.28 16831.95 47254.44 69924.48 15100.76 31040.34 9315.03 18509.18 43161.88 52783.8 47897.23 19416.96 2243.32 10587.42 13124.25 39471.57 13701.56 14443.94 38282.69 17947.92 19967.71 18966.48 25475.31 13822.14 22768.57 23862.46 13923.97 16921.27 20908.36 17169.98 57960.19 22650.32 36485.34 19460.17 44860.56 34855.32 47895.14 19739.89 30345.15 28817.67 20318.43 23837.98 32893.09 92310.35 17087.73 10507.29 20767.11 46218.18 49027.92 17641.99 36338.31 12026.17 44186.6 36393.39 33688.01 29500.98 12319.02 11697.65 13195.39 13898.74 28482.01 57008.56 3574.03 6930.67 3178.77 3723.02 3302.02 3532.18 3448.63 3946.33 5266.16 3851.48 3199.0 3414.92 3108.64 3345.76 3498.9 3003.83 3496.97 7663.27 4840.0 4532.63 2608.79 3430.7 5089.8 2302.64 3101.52 30086.92 30081.9 30083.93 30199.58 30034.49 29596.84 29892.01 29959.89 29887.66 Gln-Ala-Gly 9869.15 7776.12 6406.34 6488.94 14872.17 47337.76 17985.93 12876.6 1371.35 3215.91 6856.58 12486.18 9573.51 9013.9 11567.19 14645.66 8969.63 12275.27 22404.49 14159.56 9114.4 25149.58 6653.61 8251.98 9765.49 14550.19 9571.7 9558.38 16116.86 12540.77 17042.79 20155.91 14378.03 9459.04 2886.75 8527.16 10460.36 4464.61 4680.84 3448.2 17033.71 2298.95 16284.61 2745.68 17666.16 14585.29 6056.83 12581.22 11177.48 16915.1 8000.22 10074.53 6860.09 1388.16 4034.57 1959.73 2633.73 2571.58 4145 17058.55 7616.69 2572.8 7836.19 17845.21 1248.66 4944.13 13342.91 3044.97 4737.59 3307.24 10089.28 2431.57 3111.21 24511.17 6551.29 8671.62 10623.24 7727.25 9009.47 4633.77 7435.18 8054.7 8492.44 7991.84 Leu-Pro-Asn 3456.52 3777.84 697.9 2116.99 1628.74 5277.29 883.83 2438.08 2678.59 2456.01 1466.03 2653.79 2970.54 4006.38 2139.5 2439.82 2163.76 3546.16 2615.35 4061.01 3087.2 4191.46 855.5 1898.6 582.07 4154.78 1673.07 2962.13 3826.06 3434.04 3815.89 3632.27 1939.57 2960.79 1923.29 5162.09 3268.52 3407.84 1843.74 1377.66 4035.58 6923.34 1637.67 2659.18 4292.1 2695.9 3552.36 2788.65 3223.76 7816.57 10099.2 5506.17 1524.38 2678.91 2202.64 3271.62 972.65 961.59 2180.58 841.63 1827.06 1573.87 5793.38 1173.71 1020.81 8571.34 5554.29 2584.98 1939.86 2411.12 2160.78 2955.25 754.7 1913.95 1743.66 3243.37 3379.86 3255.48 3294.67 3387.9 3812.95 3119.09 3355.23 3242.88 Gln-Ala-Lys 1527.52 398.65 1316.02 816.88 1017.12 746.93 1714.17 1026.83 902.04 1070.38 599.42 736.74 3800.65 365.43 921.57 845.93 402.42 645.4 632.53 1967.29 437.3 685.43 401.55 333.03 702.12 868.48 576.34 842.1 595.46 1657.79 615.37 599.21 1328.23 818.82 498.49 794.39 710.3 1419.59 682.51 993.35 960.42 499.15 439.72 303.5 548.63 966.65 425.55 766.31 594.68 702.49 990.23 1094.83 1548.37 3027.33 643.18 1132.93 348.25 271.41 463.82 1155.16 334.19 301.54 1027.6 1057.63 771.19 953.99 947.1 322.89 461.67 1088.15 477.39 1781.25 571.72 814.92 767.91 1151.97 1276.38 1021.24 947.72 1204.73 1172.36 990.49 1196.14 1234.1 Buprofezin 7955.06 7019.75 1766.65 4711.11 6712 13538.37 9404.87 6058.9 5895.06 8418.76 9277.99 5629.59 963.16 4723.14 8862.12 8647.14 4171.11 13075.86 3087.99 6659.36 7002.01 6975.87 7911.78 2262.37 1644.25 7871.26 2501.08 2238.84 5470.62 1848.45 4930.79 9409 6738.47 7695.2 5611.31 2344.63 12109.32 13398.5 7054.56 6091.65 2449.46 9728.04 4835.82 6794.27 10112.72 4814.92 3019.52 6199.77 1705.1 6432.94 12561.37 10638.69 4949.78 7125.1 6959.66 8763.72 6791.76 7193.55 11742.54 9674.45 7899.8 5074.7 10134.48 11181.77 7300.6 9431.39 9819.45 4238.29 4147.11 8210.61 4526.89 8189.48 11169.02 9515.72 8148.28 7753.37 7973.84 7974.24 8107.11 7922.17 7405.01 7846.85 7882.66 7972.77 Cys-Trp-Ala 554.03 1532.24 687.1 637.76 1344.8 743.23 829.45 2278.8 1567.41 3535.18 2609.31 4367.75 621.5 1372.71 2484.4 1319.31 585.31 1616.99 1737.84 2483.01 1090.26 2485.35 1905.83 1694.01 1234.46 1487.8 1076.89 649.53 733.99 502.97 1420.16 2188.89 1500.22 2648.03 844.68 1915.29 1650.56 1370.94 1792.89 1233.55 1319.48 4152.08 1933.81 2418.15 3009.34 1602.37 1761.23 1080.62 3053.05 2280.49 3046.53 1798.61 1584.24 1069.68 3152.33 1618.38 746.34 937.24 1651.53 454.79 1056.91 2321.61 3140.36 1628.71 1411.38 1366.08 1317.78 2065 2089.35 814.19 972.22 1719.17 477.36 1842.97 1763.49 2227.41 2173.2 2130.36 2235.72 2127.94 2254.42 2227.47 1988.81 2106.04 Methyl 4,7-anhydro-2,3-dideoxy-7-phenylheptonate 1314760.64 1277882.61 1419106.08 1284976.43 1367541.24 955932.18 410549.11 575712.46 1225719.91 1082685.82 150730.98 614962.71 679174.22 1031343.05 1012483.29 939504.63 884140.63 986593.59 1042793.54 887946.43 433245.05 501241.55 615451.31 1254035.55 1407701.61 1311448.11 1333270.56 1310932.1 1365705.59 1084057.44 1078437.27 1223577.45 601744.57 1337961.2 1192439.03 1325814.54 1193380.96 652292.09 1161803.9 978846.91 894054.17 971409.18 1196913.29 1033222.92 1153002.16 858159.09 1173994.37 1098427.27 766878.67 922724.07 851927.84 948338.68 1042657.73 836970.92 378351.71 1027423.92 1000922.17 962658.47 1016478.13 685384.56 938741.74 925873.69 984761.08 997978.5 1078361.49 1036893.43 903583.24 1168200.76 1069778.44 1195514.23 997948.94 985757.99 637294.45 805961.12 977989.95 1015105.64 1015095.93 1014432.13 1013686.89 1011680.15 1017263.97 1013690.17 1015096.95 1015095.76 Ser-Ser-Thr 23545.63 3099.04 3105.07 3979.47 1826.84 2732.35 2612.89 3214.22 2083.65 2968.05 579.15 1457.85 1530.75 3039.88 4004.12 2332.46 2107.17 2364.25 3073.28 3393.06 1679.84 1369.51 4100.82 2666.79 2796.04 4379.51 3456.82 2551.44 2739.57 3231.82 3795.07 3178.31 1598.9 3070.58 4061.74 4054.33 4251.01 2856.8 3642.98 3232.7 3180.94 3592.34 4614.57 3632.76 3935.44 3007.05 3779.41 3473.25 3436.83 2855.14 1923.48 3805.73 2272.55 2887.99 1322.03 3792.5 3896.69 3362.64 3019.01 16855.79 3340.71 2283.68 2706.54 3290.64 2539.65 3790.36 25217.11 3149.74 2771.73 3494.97 3977.75 2870.43 3194.12 2548.72 4017.74 2880.02 2964.5 2922.48 2719.09 2869.55 2963.49 2879.21 3026.63 2973.59 Cys-Pro-His 2628.17 1750.52 605.74 965.42 1627.67 2289.5 944.85 1495.32 3020.08 347.29 738.26 584.61 936.12 1123.67 1824.48 1309.73 1217.31 2783.27 2381.71 6135.54 3179.05 1276.69 529.94 758.94 4900.98 916.18 1591 509.53 3158.77 783.28 5800.51 726.28 2645.24 335.34 758.07 2599.76 823.58 1769.06 605.1 447.53 1917.21 4412.2 428.43 829.71 6030.96 779.57 1050.91 1619.8 714.43 946.07 546.31 1925.68 389.49 835.19 962.59 1090.93 895.83 600.19 768.13 1479.26 731.28 1034.7 793.33 458.56 623.76 1652.04 2843.14 506.94 1329.04 4015.28 4084.25 367.63 1066.2 933.85 975.54 1642.72 1486.17 1625.68 1625.71 1653.19 1598.53 1623.23 1475.13 1436.24 Garcinolic acid 3309.19 1074.63 3433.26 6629.91 610.37 2796.85 6997 652.35 2000.11 3024.5 418.07 10764.01 13214.5 11434.36 1314.41 12867.02 372.06 1030.9 14163.95 491.47 2674.63 1342.01 2557.59 2697.09 898.84 2099.87 2980.42 2592.61 799.49 1498.54 628.44 719.09 3554.33 11834.59 2829.84 1093.87 5639.53 10821.52 1867.15 4150.04 3882.82 1968.2 2677.22 2364.79 787.56 1473.13 1391.35 634.44 919.2 1455.64 987.04 1218.87 4717.78 6587.56 4446.37 3075.91 4818.39 3227.93 1017.37 936.35 3243.57 3420.97 5262.64 5123.11 1536.24 4612 5401.85 1447.07 791.52 1548.29 2622.06 5071.04 5774.57 7181.77 7802.74 3884.13 3884.14 3309.71 3874.27 3771.06 3808.27 3760.17 3863.65 3758.23 Val-Leu-Asp 7920.58 11391.55 6763.05 9378.15 18218.26 712.83 12124.42 27059.59 23652.15 12474.03 10894.95 8789.17 8661.17 3037.63 9204.23 15385.77 3426.99 14783.15 11709.39 16345.8 3722.84 6169.95 4735 4884.66 10546.9 20278.42 12060.78 9805.35 19494.35 1247.96 8764.95 11560.49 9206.8 1815.72 14318.99 17047.28 13949.97 2391.89 7254.29 18170.06 4663.19 9862.2 16507.64 6335.86 13728.45 8904.64 12895.29 9370.12 10973.04 12013.01 2374.03 3369.55 14679.63 17283.28 6158.57 11536.61 8033.87 9003.04 12558.15 3622.52 2916.92 7145.53 15606.44 12430.76 10985.79 4817.55 8171.41 9192.75 7635.58 14159.94 19579.07 5736.57 13530.89 21361.81 9811.21 8488.53 7556.38 7669.1 7919.33 7074.61 7093.97 8174.52 8495.88 8259.17 Met-Thr-Met 10356.77 2754.49 5779.23 561.59 2435.1 2697.68 8458.16 8865.68 8590.99 9256.14 5208.82 5146.84 1619.84 10208.46 9184.11 17338.73 3471.23 1054.11 4072.65 2076.53 3610.87 5286.22 4304.91 12017.01 2596.35 1391.48 5037.78 5988.98 1759.38 5822.83 6858.25 3971.18 13249.89 5281.15 8823.48 11569.22 2923.25 2263.07 6559.65 8704.2 2890.09 3259.96 8889.97 10775.55 9510.43 6300.1 8995.43 11977.81 5978.48 7530.14 8071.24 9611.01 9820.6 8091.95 4947.16 10250.78 10063.53 9441.38 3954.62 9763.96 10053.14 10536.87 10845.81 5254.62 9112.54 8521.47 6769.91 10002.95 8080.9 10934.28 9758.07 8604.63 8429.03 11122.21 13162.94 6370.7 8789.71 8156.18 8792.76 8158.66 9084.27 8813.26 8808.52 8818.81 Irigenin, 7-benzyl ether 2735.21 2562.99 990.65 2113.51 2894.23 1545.77 1361.04 1730.64 2305.69 2624.69 1230.18 1877.72 1590.78 782.53 490.34 2130.73 488.59 2463.4 861.28 1491.75 2388.03 778.78 1052.5 1535.23 1505.72 2426.65 989.92 1099.36 1921.01 1705.72 2646.14 1902.43 1594.54 608.19 1677.96 4737.02 1594.7 1667.29 1404.26 3088.66 2945.17 2406.2 928.61 1949.51 2508.01 2939.78 2948.42 1920.97 2185.26 1945.21 1128.02 1054.04 2963.5 1577.46 2110.29 942.47 695.19 1389.53 3409.14 836.31 1132.71 1017.63 1510.18 1959.3 844.56 2516.85 1944.52 1453.22 2958.37 2350.32 841.55 2003.26 1196.05 1993.14 2126.8 13449.98 15740.54 12414.52 15939.47 11083.75 16574.61 14953.2 13024.89 14998.62 10055.02 12266.03 13141.6 12133.84 12691.68 9561.71 13338.66 15232.14 15108.33 15069.29 16837.1 14848.43 12921.73 15344.28 13940.68 19625.01 2992.54 3174.98 2619.72 2539.69 2780.74 3090.04 2772.64 3647.8 3040.29 N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine 320.22 2139.67 1250.9 1400.95 4041.5 2829.92 3488.91 3292.9 1943.01 2399.3 3156.18 1923.41 4153.67 1339.53 1327.88 589.62 472.44 1057.37 1630.2 1195.85 3104.29 2740.03 1484.75 2702.92 1072.2 564.72 1476.19 1377.56 4533.49 1184.09 482.26 1256.7 1223.81 6331.17 2944.91 11436.24 2376.35 17805.05 12701.13 7526.87 6378.15 8052.82 10756.51 7987.76 6016.73 3501.03 3983.83 8472.26 6877.82 5448.67 6159.24 1386.81 6670 3531.61 1565.72 3978.53 4193.3 3449.69 1877 10101.65 4106.11 6884.09 4366.79 1279.18 1230.6 4947.76 2660.99 10743.43 7804.36 2468.88 3599.02 2995.75 10556.53 5689.07 2319.82 203339.21 163949.81 173773.42 181961.43 182848.18 140891.67 184692.34 187067.33 176353.28 179924.92 149088.18 198102.81 188893.48 188012.2 149555.4 145612.04 184250.32 176514.22 202241.02 197195.08 177124.23 194490.2 176948.77 183564.47 194259.15 7197.58 6462.14 6761.46 6654.61 6430.59 6480.85 6895.31 6444.74 6027.3 Ala-Pro-Met 5908.09 3868.48 6427.26 3483.56 14467.18 5290.41 5381.91 4616.86 2469.37 6558.9 7219.97 11422.65 584.61 9732.37 6533.91 12869.62 4522.35 8741.43 10031.55 1512.7 5005.9 5716.75 3476.5 4363.75 3622.63 7918.56 4941.73 2129.37 5525.33 2771.05 3859.47 20006.31 10500.5 5953.44 9522.16 4148.82 4238.45 498.05 4184.95 2009.24 3474.62 5424.88 7846.24 6125.58 6331.96 8746.89 6008.53 3381.47 4616.34 11826.33 7852.33 3355.18 8887.95 7103.45 5048.2 3159.75 8105.51 6122.76 8826.35 6196.74 7798.8 5439.14 8529.2 8011.82 5067.62 6448.84 4584.87 6229.35 4871.33 4409.8 5415.15 12027.91 4608.49 4661.49 10326.75 5761.09 5821.02 5758.01 6062.49 5715.92 6842.97 6040.97 4484.83 6167.93 His-Gln-Ala-Arg 1105.19 663.31 3322.6 3022.4 2392.09 1940 3598.77 1998.96 1871.9 1528.86 1222.74 711.55 9087.09 7751.76 2336.11 1109.2 3143.61 1575.27 1458.99 960.12 1306.26 3742.17 291.32 1822.9 2198.27 2110.97 331 1196.01 1778.67 1127.37 559.61 1066.07 6727.05 1689.73 847.29 7793.54 820.47 335.89 1425.99 1414.55 4196.09 4731.91 1087.93 470.49 8542.07 2292.43 12053.77 4167.36 4603.22 8738.34 2000.72 5859.55 2217.65 2362.34 7037.01 2358 1377.14 1604.41 8176.45 4340.95 781.17 1128.62 7705.4 3431.87 719.87 5584.81 1985.07 1601.04 2403.38 2531.25 1500.85 1794.67 2341.98 1952.12 2178.82 4377.7 3411.27 4067.2 4130.05 4050.39 4447.34 4338.35 4109.96 4331.54 Gln-Lys-Lys-Leu-Ala 3465.9 2493.79 1308.65 1445.73 1001.2 15851.02 1843.14 3008.54 2238.75 3871.28 1627.42 2429.53 634.64 656.52 655.71 4734.45 2234.1 935.67 2098.35 2047.05 1492.11 2202.47 2143.4 1903.08 890.26 457.51 408.45 1442.93 2919.36 1687.17 4903.92 1333.25 1673.18 12042.09 5990.59 10032.5 7296.66 9617.48 9350.56 9939.84 2914.82 7420.45 7736.79 4821.62 7069.6 6544.37 6966.5 8468.31 6725.65 6575.87 12335.18 7768.33 9803.33 9168.63 6178.49 7341.34 4287.45 3218.2 8701.35 7134.11 6150.9 3442.48 5035.81 12538.4 7534.77 11632.63 10318.64 3328.6 3461.26 9658.22 8195.79 13052.7 5008.01 8006.26 4314.2 8592.49 8742.25 8581.91 8966.87 9128.84 8832.76 9014.3 8947.79 7588.89 Linsitinib 5942.27 620.81 560.91 762.1 3176.04 1604.57 2090.8 7737.41 12341.6 1926 278.14 744.26 339.65 1708.31 2333.79 1165.07 253.94 1699.5 2443.97 467.66 1655.68 1429.4 1007.95 1812.52 14130.13 7867.16 2556.94 2671.42 5879.86 3660.75 7525.96 6613.87 417.51 1833.14 1491.37 4057.47 5659.01 2333.41 380.31 1550.06 9281.12 10300.6 1130.44 1806.57 4752.67 2575.71 2659.71 1009.64 3615.95 7660.61 9142.53 262.9 1279.9 705.43 3643.3 2270.58 941.55 800.89 7241.38 982.28 1560.73 1195.27 987.39 1199.24 1747.51 7269.96 260.54 690.59 1225.74 6181.47 3619.79 3795.65 1282.29 865.31 325.46 3331.25 3964.73 4106.9 3239.98 4093.06 4835.56 3875.21 4132 3837.54 Trp-Ile-Lys 22147.11 29639.19 29434.02 29283.6 7883.84 19036.66 11105.3 23268.39 16013.32 12239.12 15512.22 18147.95 36338.21 37194.74 27496.28 25002.88 25217.77 29193.73 27070.26 10883.43 17480.85 26146.13 14239.75 23979.88 8823.24 13497.3 8966.92 7731.89 23445.24 2129.5 12274.36 33473.98 9888.79 10108.99 16400.64 21790.55 5539.51 12240.52 7027.32 16024.25 20641.91 16866.96 24580.96 31338.37 20409.09 27440.93 13893.91 33967.01 18915.64 47797.81 11198.11 42031.47 26266.71 38770.08 22738.24 32828.12 29463.79 23349.51 7802.77 37956.89 18628.08 9042.71 22924.79 22573.21 19598.08 19946.18 40013.16 11726.7 21930.57 10956.24 16250.34 15707.25 17161.41 34017.32 28178.64 17964.35 19290.58 19161.01 17421.86 19372.64 17902.75 18764.91 17287.58 18759.57 3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid 61223.68 39634.18 10784.21 8799.76 60643.53 64761.27 9345.41 304998.06 54479.63 132127.18 18424.79 44224.85 31116.09 176703.76 2001.15 65162.15 9009.31 181659.09 798112.13 157814.25 133042.13 208434.91 87343.05 64972.45 184204.94 74188.09 10072.99 28832.07 296472.68 50444 98968.7 668437.6 376885.55 66022.68 15044.47 296799.13 421558.08 59600.64 32237.72 9486.86 44755.21 228550.7 206901.06 69972.45 283961.68 38890.35 269911.37 218631.46 194029.16 240877.62 148251.3 28445.51 60754 4380.18 96996.92 263524.09 3421.6 58829.53 73287.38 2898.1 34275.54 15749.22 159145.83 165745.71 172668.67 57921.1 89127.73 19239.1 19362.43 393573.36 47639.64 125512.45 220189.05 23214.26 11313.42 162678.63 163628.25 164612.9 163297.51 163480.3 162656.06 163643.09 162655.11 160813.69 N-Oleoyl-L-Serine 18727.45 24571.58 14021.66 54916.28 13958.64 4611.56 24657.05 11266.02 10531.8 10531.56 20377.21 8698.01 25701.57 25445.82 25387.56 17269.18 18385.92 23810.69 19227.29 12079.13 12354.09 9687.99 24606.32 10970.18 10236.4 16250.56 36795.43 15775.68 10832.66 7260.45 15930.45 2579.34 12386.19 15014.36 46840.78 11825.72 19435.13 9648.44 25097.98 38468.66 17141.46 22898.46 28268.1 25179.85 22236.51 23964.75 12321.88 11639.01 6403.07 36062.2 10427.91 20591.19 18057.2 42660.25 17354.84 26402.23 17476.72 11882.64 10474.84 6005.77 20151.82 11758.99 32983.95 30020.13 20241.29 27505.12 15396.65 33552.63 36649.81 11249.3 7847.04 26266.42 15199.3 37759.24 58059.7 19815.17 19449.52 19485.47 19451.7 19361.62 19488.07 19045.33 19473.01 19372.75 Ala-Val-Ser 19306.45 23125.81 8660.62 4698.33 24106.22 3112.91 9516.56 30070.14 25437.32 16607.17 8310.36 13204.05 2480.06 11829.06 40983.73 16044.64 9467.98 12072.74 17493.96 37976.69 19723.54 2529.04 8291.09 10994.7 23738.69 24884.35 6605.52 10541.21 22722.73 6798.13 24998.68 24792.84 14901.06 12774.03 8427.02 16908.25 24410.17 1875.71 11593.76 3825.98 23641.8 33107.59 13310.24 7192.72 1278.67 14961.8 28117.99 17306.2 8792.96 4720.43 18222.47 18829.59 11509.37 2430.51 9173.58 18242.59 3748.68 720.98 26023.58 6183.62 7393.06 11232.14 20007.43 3708.51 3401.23 28033.86 18667.01 12034.88 12650.89 27154.35 13670.48 12517.89 765.29 2615.6 13605.24 13619.17 15808.47 15411.41 16135.05 15243.56 13685.55 15409.16 15789.29 15469.42 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 11482.59 23718.07 13901.51 22425.34 24241.33 17586.04 10602.34 9496.38 9959.76 10615.32 7372.03 11045.39 12446.85 18530.49 10913.67 437.16 9638.41 11466.24 13336.51 551.3 18394.45 18786.98 18906.3 5562.19 15340.4 13491.57 6408.37 7579.26 12596.81 9474.84 10411.81 29494.52 9214.47 19643.04 12737.01 19276.18 12817.17 23562.66 8352.39 12212.29 29505.42 29854.6 9750.42 11927.27 18624.14 12576.44 10594.12 15657.58 22210.4 31966.56 23062.38 22139.31 13027.78 20177.32 8349.34 17345.72 10388.88 7362.96 5451.3 9348.08 9422.96 7763.17 8330.57 7316.67 5547.96 17123.26 26513.25 8078.87 7982.44 7831.56 12367.28 11810.31 8410.77 19434.1 14364.85 8260.32 25759.9 8640.31 6120.7 12408.22 32546.28 47390.03 49195.39 104735.41 92784.89 71848.42 31744.02 30710.98 97294.25 110541.06 3135.87 47624.8 48224.07 19170.91 97355.82 55428.01 40914.92 91421.22 74634.05 59085.7 18632.22 18165.24 18816.55 17479.64 18777.99 18156.56 18145.45 17935.53 19416.93 Deoxyschizandrin 21718.63 52142.76 21329.14 21209.38 41241.35 63707.65 26068.06 49358.55 65561.64 21706.84 23421.53 7654.24 3809.27 17293.44 48921.94 32989.98 19001.41 32603.96 27599.26 56551.85 53583.4 49838.45 16343.76 14841.04 39791.11 66663.95 38867.29 1182.48 61718.37 3253.52 51578.92 9025.12 35553.7 22277.07 7618.92 37858.22 43196.12 54731.35 9307.41 19360.6 48983.85 43275.96 23428.96 14993.34 38131.39 16084.1 73625.08 23849.69 8470.86 52999.22 13550.42 46102.12 17528.03 17203.88 34201.05 52069.69 19237.63 16103.09 38625.85 45238.01 15422.17 22506.44 38105.32 23734.18 19629.38 44694.75 64382.49 17890.15 11196.21 49592.03 52152.44 39076.56 17522.57 28376.47 23674.84 33040.36 32997.63 32540.05 32559.59 33254.72 30963.23 33016.55 32883.33 32302.76 Pro-Lys-Arg 1115.24 43.52 1014.05 53731.16 441498.68 152209.71 152813.47 5730.01 43.89 55.55 8321.61 2112.68 26230.6 11650.92 128.07 20876.25 3152.9 97.95 58.91 50.18 2354.01 10578.75 10290.56 8976 2731.24 1079.39 2853.7 1449.78 1253.04 779.61 38.78 2736.16 4148.87 547.43 214.99 37.88 559.41 983.52 126.67 476.65 158153.99 13092.41 15584.69 157.71 51.44 8623.41 83.74 35.79 9037.41 461.59 1180.46 141.52 764.2 2432.06 5660.95 45.49 10762.06 11259.94 3403.85 28126.31 106.72 3549.89 60.43 204.49 107.02 3756.12 235.03 975.39 894.46 117.1 137.2 1237.61 10913.14 316.92 5941.79 32430.6 32736.58 32513.59 32222.52 32706.27 32429.04 32423.12 33731.03 32664.16 2,5,8,11-Tetraoxatridecan-13-ol 422.91 1690.51 769.28 689.86 704.55 2399.5 1089.67 364.88 418.56 841.83 716.34 1170.65 738.24 1363.68 1412.73 566.46 591.65 2323.06 2775.14 4026.12 1582.42 2346.93 670.78 348.19 459.86 1085.83 851.37 873.73 2308.59 418.19 3641.32 2501.6 1149.22 1126.74 1075.04 716.54 924.49 1492.76 931.02 700.59 907.24 2596.58 846.84 444.62 3114.19 1292.29 2235.72 1594.94 693.92 2517.03 935.43 1629.17 536.5 1610.52 536.05 2204.28 850.46 587.94 704.59 964.09 362.84 584.71 1580.88 980.69 634.2 564.9 3613.66 1300.06 1149.86 562.83 1340.86 943.94 326.07 1900.04 771.43 1551.37 1546.2 1619.49 1596.3 1569.49 1791.63 1631.13 1630.49 1257.27 Ala-Tyr-Ser 524.55 952.44 1240.6 13443.38 10543.34 14823.21 6624.48 286.43 667.06 688.49 400.31 883.54 6089.76 966.02 495.9 1094.17 959.49 1617.29 624.48 635.47 752.82 2233.55 649.98 730.92 267.93 440.21 372.22 1023.23 1148.97 895.76 247.71 949.69 599.29 3193.08 529.49 212.41 460.91 670.8 331.82 319.9 12642.11 435.63 193.21 525.91 243.49 10518.78 568.51 948.43 603.49 242.49 759.79 622.45 661.18 2617.87 3981.87 958.61 203.58 393.19 657.15 537.6 458.5 2343.03 2344.68 1607.34 518.95 902.79 856.79 645.1 1172.16 718.32 988.26 1452.14 560.84 909.86 650.97 2481.92 2719.08 2750.95 1016.21 2472.03 2545.11 2715.96 2755.33 2528.92 Ile-Leu-Val 140.27 1643.09 230.98 43951.33 107396.06 53355.13 86986.72 1994.61 1249.33 1068.37 836.74 1047.17 666.98 1285.85 1959.54 821.5 1355.63 1325.51 1564.31 1065.54 763.44 251.25 385.95 1656.91 3387.91 1565.42 2014.04 1127.75 3254.24 190.53 1114.51 1795.8 259.74 4008.06 1453.45 3595.98 1699.38 710.01 647.77 1823.54 16516.35 4262.21 895.36 1061.65 1263.79 17687.6 2590.98 1332.67 195.07 801.18 1127.1 714.97 1081.7 3431.21 14781.15 1594.74 854.51 161.91 1892.52 8899.71 855.18 89.08 1984.79 611.49 385.44 2250.1 1485.23 1518.51 2112.58 2324.17 813.15 1499.89 3183.8 736.09 1427.8 13019.86 13117.69 13017.71 13035.94 13135.63 13114.77 13116.7 12695.46 13017.43 Tyr-Val-Lys-Ala-Leu 1584.25 1161.79 792.53 594.22 606.44 1386.6 8494.97 1231.61 3551.84 1595.69 1072.64 892.54 3979.65 489.73 1923.58 2354.74 1167.28 1070.99 660.38 790.49 2122.37 747.95 1487.55 1904.3 753.87 1467.87 1620.11 852.06 2537.33 2049.74 857.59 15865.39 1598.43 984.8 1364.4 1771.06 394.66 1684.61 566.95 952.54 3414.92 1027.43 975.17 780.8 569.19 2004.32 2206.17 585.92 1366.72 754.16 604.13 2290.27 781.03 1490.28 961.05 1769.57 575.87 678.52 1771.15 385.03 999.56 631.57 1198.33 1909.08 1159.41 1306.45 1826.91 996.39 714.45 1948.66 826.07 560.61 1445.72 1110.88 1405 2107.87 2262.18 2201.6 2116.49 2126.56 2102.65 2069.96 1959.26 2201.39 Gln-Arg-Tyr 599.28 10442.37 2169.68 8538.01 22781.63 26468.78 14798.34 13748.72 12061.78 7062.13 453.57 4291.42 1324.09 2354.67 16589.25 2585.08 2139.44 1351.72 5727.98 35716.11 1394.57 2763.58 925.42 5877.44 15120.84 18144.04 6507.11 724.27 23318.57 3647.8 15666.38 7625.85 10074.93 2440.55 3864.39 13466.53 8153.68 15391.21 820.31 1526.18 20786.63 19126.11 2423.54 2281.88 11375.85 3021.09 19984.57 11857.32 374.39 9852.13 6371.49 11872.35 4314.46 5272.14 6619.46 6994.22 2585.53 562.52 7971.87 18524.25 1903.99 1846.08 5591.08 3424.9 3337.23 6854.3 18009.42 572.2 2758.91 15636.38 20191.55 5656.52 4867.04 5148.53 7399.38 10686.56 11428.01 10881.46 11143.35 12241.82 11413.79 10759.46 11125.39 9681.67 Arg-Leu-Met 799.95 779.01 1068.72 1813.3 21217.95 18167.02 15022.27 720.47 840.15 689.08 663.44 465.02 4268.92 1213.43 1253.34 1356.11 840.16 680.42 1005.05 1613.79 904.12 2114.8 1583.44 468.25 636.93 1293.59 1327.13 673.47 1414.18 689.82 530.12 2430.87 696.89 1583.85 502.12 1306.33 1446.78 1128.24 1261.48 531.78 10790.12 1350.76 379.76 1001.24 1455.28 2696.13 715.72 1274.42 1281.44 3153.25 1661.8 1035.83 765.91 981.65 458.96 902.8 465.73 264.22 815.41 814.21 271.1 819.21 496.65 1086.02 400.33 563.97 1085.05 1277.01 1177.03 1125.08 266.42 501.22 944.5 2127.53 976.43 2229.22 2492.37 2249.76 2126.91 2257.99 2252.34 2145.65 2129.8 2155 His-Glu-Phe-Gly-Asp 3219.76 386.78 102.87 108.96 443.58 43535.09 1752.56 384.65 158.46 11836.26 115.94 95.06 121.42 2070.16 260.52 155.63 124.95 124.67 121.76 234.42 167.85 12060.97 345.42 450.55 165.03 12629.41 227.1 140.07 184.27 131.32 408.92 266.83 3034.08 2761.3 407.29 423.5 362.03 15226.94 439.31 176.19 896.46 3334.06 149.03 253.27 643.99 176.2 635.29 199.79 77.01 239.98 2867.49 363.18 228.71 302.07 1367.71 170.7 93.3 111.19 334.39 15550.24 135.2 121.99 292.39 194.5 422.37 1904.47 469.57 437.14 318.29 474.54 322.77 10046.22 474.41 124.25 459.3 2801.16 2697.4 2760.2 2810.88 2795.51 2568.47 2713.95 2794.72 2736.25 Cys-Leu-Trp 11586.12 45828.91 4407.7 689.54 13956.02 27709.69 1456.03 11879.82 7152.82 19465.23 5478.91 5477.93 3623.02 7026.41 60475.07 4021.35 4080.39 15921.76 3530.45 25390.76 11968.3 2567.37 7670.2 1670.59 10941.94 11943.22 9070.42 6890.3 8763.54 524.7 16542.73 14010.55 56167 13969.7 1915.7 1872.61 11166.54 30062.85 7629.43 4517.26 6010.48 21361.78 7189.02 867.4 3754.7 6880.96 18004.94 6871.19 4992.15 6439.64 10237.73 28055.13 2229.51 8263.19 15068.33 24606.84 5877.51 2845.55 19827.75 4592.14 2421.89 2703.12 30995.65 9589.51 6556.07 8568.79 43363.6 3162.65 954.97 17424.09 47220.08 3047.46 7473.87 3880.02 1577.09 8913.71 10660.17 11224.93 10659.24 11331 10837.8 10547.75 10329.45 11766.27 Leu-Cys-Ser 1603.19 895.43 373.36 219.53 1570.41 13980.11 4297.19 1422.49 459.22 10921.54 1859.09 273.63 197.33 325.03 474.25 157.29 612.46 229.38 1391.22 2772.91 1262.72 6845.64 279.51 1287.5 282 11081.66 926.94 2062.68 264.58 1688.64 1568.17 2516.2 3543.34 2571.28 809.98 531.14 455.61 11355.03 988.21 455.4 331.93 1183.59 335.96 1590.02 517.13 845.85 277.98 501.15 293.74 603.56 2323.33 669.81 2149.73 439.55 1973.77 616.86 183.78 691.24 442.79 14348.29 824.46 800.59 294.61 1365.56 325.58 1941.72 646.68 385.86 297.99 201.03 160.54 6284.86 366.97 809.51 385.18 2693.16 2604.42 2677.9 2612.41 2606.92 2675.98 2352.81 2692.24 2600.41 MG(0:0/18:2(9Z,12Z)/0:0) 962.37 1524.01 4582.38 2123.21 1475.54 2411.1 526.42 1765.88 677.45 2183.3 959.87 522.56 593.86 933.22 555.49 7296.2 4046.03 866.09 677.1 499.83 1050.37 12790.83 470.92 2582.15 1137.04 533.65 1406.75 1002.73 1077.99 1109.63 536 2157.32 839.12 481.14 973.59 1073.47 1238.23 1638.16 1409.39 406.07 606.55 2197.51 831.33 1236.32 766.92 8802.4 889.87 994.74 732.57 1106.47 301.12 619.45 3258.12 470.34 583.94 834.97 13993.1 2465.16 779.58 2323.66 1641.56 1799.36 1359.22 393.24 499.8 465.08 594.5 960.63 2534.84 762.78 1363.41 355.09 1199.04 6232.61 1497.44 2294.97 1977.99 2211.14 2032.55 2041.84 2096.91 2176.07 2166.64 1994.6 Lys-Leu-Val 1108.22 521.03 622.25 823.59 1489.82 1353.62 795.03 1217.54 2000.45 1859.88 1495.96 1709.44 2147.86 386.43 2829.07 4198.35 1026.9 984.3 3196.91 2135.6 1368.61 1136.58 1655.07 1610.28 998.12 2052.45 4069.72 1953.06 3558.31 1837.47 1378.56 3064.51 1132.71 6255.71 2355.53 778.41 1043.21 1513.86 1139.66 1644.43 1329.1 2109.18 2975.08 2076.25 1243.14 1658.87 1700.24 1646.81 1709.2 2517.76 1929.69 997.68 2619.89 3775.71 920.1 894.77 1623.76 1861.9 1563.12 1463.59 864.02 1915.66 1023 9553.08 1913.33 1342.88 1770.53 1341.21 1774.11 1853.55 2281.43 1827.86 2546.87 3560.3 2698.08 3589.93 3131.57 4159.18 3464.17 3097.3 2723.89 4017.09 3204.9 3387.25 Ala-Ser-Lys 608.49 1201.26 1176.78 613.58 417.58 5207.04 1187.2 621.95 1443.82 1854.21 1288.17 402.13 630.75 1039.86 1506.2 1644.09 1113.97 1163.36 1187.62 1869.01 1119.75 605.66 745.62 550.13 1373.47 1984.65 403.52 947.81 3387.7 1425.4 2059.29 1972.18 588.28 367.31 1442.04 1400.8 2698.74 2287.49 408.41 1296.44 3278.12 703.82 1028.34 954.9 1491.44 2697.13 1673.45 721.68 386.44 2910.99 1326.15 1323.75 904.49 372.54 897.08 2239.31 988.43 1436.43 1614.83 5148.12 509.23 713.83 2054.31 1856.94 820.27 1479.2 1901.3 1120.25 935.49 1417.57 2782.61 778.6 964.55 866.45 800.65 1719.74 1725.01 1661.32 1636.98 1710.16 1709.68 1636.47 1674.78 1649.99 Ser-Leu-Val 5423.48 8782.62 4917.21 1882.55 10125.18 63098.72 27457.11 6277.61 8473.21 5573.52 4670.47 900.81 1376.77 1575.76 5906.75 1371.72 2357.33 6076.58 3733.41 9967.01 7284.14 12280.82 4320.74 5790.26 6834.73 7781.53 5401.01 7166.59 11509.05 6343.05 857.8 50704.58 3712.57 6947.46 5076.11 7624.42 7898.79 5958.23 5515.76 5589.73 12667.88 8316.17 6714.37 4058.64 6699.18 5205.14 10254.7 5881.69 5524.51 7774.85 5562.68 4288.17 5455.69 6737.6 4978.05 7287.17 4992.58 2092.51 3550.8 5502.36 5756.94 3844.12 5451.78 3322.82 3412.26 6224.76 9622.42 4609.03 4154.55 1324.11 6329.28 5000.66 2713.67 5294.56 4189.66 8779.25 8800.34 8841.11 8848.97 8527.05 8841.35 8841.1 8451.79 8816.38 Asn-Arg-Ala 13433.34 13855.33 8518.71 8841.35 14918.4 23693.72 17903.37 18204.52 20463.77 16809.98 3313.41 2164.7 2803.63 3141.32 7020.64 9674.43 5767.17 12731.29 11947.85 29870.39 13298.22 10723.07 12356.01 11335.44 8181 15848.71 13191.34 14469.4 4633.13 2959.34 18601.85 15988.39 8360.26 19675.7 9745.62 3569.85 13074.67 15940.6 10264.45 9808.28 35414.43 25190.63 6126.94 5542.85 26703.31 11732.16 1610.31 4179.77 4492.89 1899.93 18507.56 16609.81 8896.09 9269.28 14815.82 11113.67 1823.91 6574.61 8217.16 16385.04 7204.94 11938.63 6289.85 4633.44 4292.95 20143.63 19116.43 10511.41 2262.62 12548.8 11611.05 13284.55 6361.21 9257.87 7807.02 11105.38 9963.73 10638.52 11112.3 10916.96 12101.93 10555.89 10631.64 9558.35 6-Aminopenicillanic acid 328.18 204.06 415.72 382.86 1270.6 404.47 1541.57 615.37 410.58 399.15 567.66 411.04 837.82 973.92 333.98 1313.78 240.95 416.79 306.77 333.64 1285.34 158.32 263.02 790.34 398.46 159.03 714.15 806.07 681.87 442.78 336.62 172.37 536.84 2022.77 580.97 406.21 436.96 546.83 576.68 531.1 334.62 455.46 179.65 275.6 580.64 236.97 856.1 350.88 623.48 439.06 476.1 746.52 677.09 422.5 447.32 2061.41 371.95 669.69 1021.49 457.8 167.16 894.2 341.82 456.7 249.84 325.37 463.91 316.92 687.46 725.35 510.29 480.01 418.62 552.08 276.49 1335.68 1353.16 1475 821.94 1503.01 1320.99 1458.04 1471.48 1631.53 1,2-di-(5Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine 6610.56 13293.3 460.25 9182.81 17274.6 4657.33 30740.64 23887.8 18823.68 18477.36 15482.22 958.38 719.54 13215.87 7572.57 1018.68 13268.71 13915.85 14343.46 10565.82 15782.67 8216.45 15368.44 12513.64 16951.11 9040.08 11637.19 10802.82 14671.95 14360.46 12525.87 1266.6 12378.37 28019.51 26269.03 31871.38 20176.12 15538.89 23439.93 19807.8 28094.14 32141.02 22101.78 20962.4 43451.99 46763.15 29949.59 30100.62 28409.41 72263.82 20220.06 25495.42 20524.25 32910.12 18561.05 19048.47 15316.95 18404.27 16374.52 10515.06 12797.22 13445.22 16414.16 28234.11 22297.99 20450.61 21981.62 20919.29 25982.96 20687.79 19174.82 26211.47 34879.19 28832.87 26159.34 27116.7 27272.94 27268.27 27272.16 27069.81 27072.14 27391.13 27065.08 26940.6 (2R)-2-azaniumyl-3-(methylsulfanyl)propanoate 12215.1 4207.95 2016.97 3558.12 11879.65 3248.96 8690.08 12650.06 8339.13 7002.95 4966.09 14137.69 10719.45 6408.4 899.09 5969.67 5027.23 1499.02 2486.82 1247.85 7495.85 4453.64 5670.89 6627.39 9240.01 8604.76 11488.81 9192.8 12666.89 2228.53 9660.5 19356.01 5229.42 9972.51 5976.93 13203.54 7499.88 7037.31 5465.7 3540.57 7075.03 24032.16 5661.89 5597.68 10685.48 9505.78 10649.68 8550.33 12148.56 10582.4 16626.07 8677.79 3387.67 5015.5 6326.41 6501.99 2588.24 2191.73 2977.94 3699.61 2888.2 6255.68 8388.94 5599.19 2978.66 11986.39 3050.32 10040.66 7299.47 9826.01 9273.07 9003.02 3099.82 5334.63 7885.54 8030.03 8183.9 8243.42 7900.57 8202.91 8206.84 8242.48 8454.21 8177.28 Lys-His-Tyr 1440.51 2564.03 848.15 1015.6 3857.79 2406.87 6419.46 1280.22 2533.64 2397.29 1980.33 1619.42 4834.93 12340.22 1769 2038.09 2061.56 1118.69 2563.05 1022.35 1199.46 2822.4 2878.2 2777.24 1805.82 1061.85 986.82 2451.29 2119.57 2191.13 10478.4 15491.84 1454.5 1182.61 4892.97 2060.57 1592.36 1811.62 456.22 3692.62 2322.71 1123.89 5969.23 2508.59 7299.85 1013.63 1624.12 1921.91 1035.4 1828.81 1376.53 3754.07 2808.35 1035.41 1919.6 2699.71 1481.6 1311.63 2884.97 2000.43 4313.43 3513.81 3634.33 2228.24 981.64 1841.76 2760.31 5089.44 2500.28 452.21 1597.29 1375.67 1614.31 2017.58 1340.68 2512.29 2541.17 2321.52 2077.53 2069.18 2530.34 2580.81 2531.34 2139.98 Val-Ala-Val 3410.51 9304.45 8162.94 10072.21 2605.13 21619.4 13422.96 13472.35 13374.09 11296.32 11229.37 11440.34 14558.23 12104.38 2538.57 11850.91 7908.87 11961.51 16620.06 18600.7 14425.88 9597.39 8574.9 1817.78 11191.15 1867.78 10887.57 15181.35 17732.39 9039.33 13524.03 24655.66 9810.14 16003.63 11902.56 14953.43 5770.64 13971.68 9713.52 9526.4 20202.04 17758.2 10472.67 8567.82 14516.55 11883.89 14790.77 13494.04 10426.12 20096.16 14197.58 14382.95 11175.41 16807.49 6258.65 10590.46 7640.14 7502.25 9927.67 8328.88 7525.02 7492.49 9130.4 10897.7 7620.01 13084.32 12859.82 9411.11 8816.81 12052.54 11009.99 11421.75 8860.44 11923.52 12759.1 12881.84 13023.41 12912.92 12883.02 13026.52 12604.49 12874.92 12883.82 13246.68 (+)-Blebbistatin 34344.39 24257.62 10664.66 13211.61 23110.39 33165.85 21646.83 41476.37 47965.82 33099.6 18137.87 28444.35 17428.05 22458.73 33861.61 29522.85 19118.74 29183.15 32272.58 47750.15 37686.79 22399.92 12076.2 16077.06 41332.69 33028.21 22267.16 28789.55 46280.03 29937.69 45048.95 31303.74 23426.37 16642.77 15151.05 37530.68 35542.77 26507.94 19928.99 22838.18 48944.21 47819.68 16595.81 16813.45 34377.41 23227.08 45563.09 25276.27 30292.14 36065.76 32555.2 16998.92 16096 21376.79 31077.37 24157.06 9585.57 9862.94 32468.15 12141.43 12713.62 11853.19 23870.25 19090.6 22080.52 34875.62 34138.49 27340.56 28949.73 40741.47 42011.31 25044.54 28988.68 25900.2 25022.78 32052.58 31744.2 32825 31773.69 31746.47 31829.71 31744.3 32055.57 32053.01 Etidocaine 559.97 1491.62 1106.26 944.89 1001.55 1380.23 1309.94 794.09 1041.61 1102.42 1080.91 705.75 2102.31 2213.37 1120.75 781.35 361.93 4086.43 1661.74 2251.91 366.14 963.8 884.86 1070.14 344.13 798.62 1337.08 965.76 795.85 373.81 4954.62 8107.12 821.85 451.78 757.97 1398.59 877.9 613.33 419.96 381.14 4579.26 1796.69 456.87 396.76 3426.29 2353.55 1244.51 1068.65 531.21 3344.21 986.75 1725.12 615.66 1310.97 815.15 1775.27 1262.68 878.01 882 816.86 954.8 1081.09 1257.55 420.39 514.14 1403.09 3448.19 480.85 857.58 440.39 359.06 471.56 408.39 1058.46 605.22 1497.76 1531.22 1563.91 1573.05 1509.29 1518.1 1685.63 1493.05 1340.25 DMABA-d4 NHS Ester 4771.09 10887.19 2762.31 2278.15 2050.69 12519.68 5986.28 5137.34 12730.39 5343.37 2466.81 6275.18 377.79 5499.41 8544.19 2400.98 1385.13 16830.32 9804.96 28563.29 6022.42 5110.02 1040.6 2129.2 9841.32 12038.2 2527.75 1959.78 15479.89 962.18 15055.26 9640.85 8294.16 3250.81 4369.92 10164.23 15758.14 9651.82 1679.8 1716.41 15464.72 15138.02 7764.66 2967.11 18052.1 1562.33 16796.37 2032.12 1760.26 8273.74 4191.78 7310.04 5776.07 971.53 5226.44 14017.92 1133.82 4338.54 14840.23 4155.09 1814.02 961.05 5237.8 3784.01 5330.88 8840.51 5500.97 4604.66 3460.18 12380.2 10390.34 8371.77 2950.66 3110.88 2812.91 7377.56 7447.82 7337.91 7816.24 7388.64 7626.54 6421.09 7390.8 7466.07 Ile-Met-Gln 10249.81 12733.89 1724.46 2118.13 9285.32 5778.95 748.58 4875.17 23079.81 7778.41 3202.6 2776.24 1922.56 1819.57 17806.09 5544.62 2438.18 11266.66 12225.33 15011.26 15529.42 2226.62 1117.87 2585.04 21645.48 11282.07 3135.36 3170.81 13756.02 3385.69 14808.89 12603.78 9136.25 877.69 1470.26 15991.65 24446.23 2778.98 666.85 4215.8 13638.11 28885.19 10184.89 1880.5 29860.39 2323.19 39426.82 6983.26 5941.56 10838.92 981.22 17851.97 2788.94 2020.37 16122.83 22156.56 2407.62 4743.62 29895.21 7303.22 6450.64 669.86 18409.18 10357.68 9595.15 18831.2 32172.89 5689.62 8730.1 30849.11 22296.29 13362.84 7310.49 2473.63 1300.47 14855.35 16544.05 13415.58 15302.11 15370.21 14834.84 14790.59 15396.01 14954.8 benfluralin 24136.02 8367.39 1908.07 425.37 3157 699.17 1630.04 7837.05 24771.92 10298.55 1770.3 4983.85 470.82 3077.19 16134.02 10088.41 3962.41 8781.02 10797.86 25105.44 12184.04 3139.95 2522.43 3628.02 1439.11 12068.37 3853.85 5042.28 15457.33 5478.34 1890.77 8558.08 10427.54 2332.08 1084.91 3237.17 5609.87 398.43 2364.82 3006.12 2747.33 16894.2 2285.41 2450.75 3711.29 1846.81 18082.9 10681.48 5600.14 11949.79 8201.78 3783.83 1188.64 3149.92 10562.87 5297.42 3446.03 2381.13 12405.46 535.33 2847.51 554 6246.44 3482.43 9589.02 7639.18 8274.46 7100.92 7336.01 14855.38 28359.5 8508.88 10649.59 3537.22 3423.06 8012.97 7968.24 7931.01 8065.07 7987.08 7926.44 8043.25 7906.75 7475.7 2-Hydroxyimipramine 15961.37 26235.09 16722.35 12855.88 33945.59 46206.21 15841.83 28287.3 32885.22 13213.87 13705.15 11284.96 16731.65 11321.1 27361.34 16686.5 13387.02 21474.85 11022.73 41108.13 21202.99 13512.94 6102.24 13766.95 29028.46 36812.21 8486.17 19945.36 28155.62 2351.71 16036.24 10526.58 19405.42 14380.34 1817.32 26001.86 24974.57 27757.28 8973.22 11586.08 45192.5 40278.9 19885.4 14214.04 34361.22 9861.06 29744.8 10397.55 11912.65 16369.26 18627.46 32431.7 17129.39 26043.2 12989.5 26382.59 13098.32 11758.29 20025.51 23502.2 12052.03 5486.48 14085.35 18409.38 12562.72 20635.23 31530.51 13656.8 12201.72 17527.28 31595.14 3469.81 9128.94 21300.33 18349.35 20999.31 20825.74 21002.3 20912.17 20614.1 20874.14 20999.56 21047.14 20920.76 Ile-Gly-Leu 2564.92 2373.42 586.71 19234.72 17747.88 22717.59 35890.54 885.19 2498.74 1401.49 1047.45 1937.71 9040.34 1489.88 2770.24 1619.58 1201.52 1729.12 2104.35 3506.07 3827.5 2320.18 798.66 1049.33 2951.05 1999.12 1440.47 1028.79 3137.57 2191.66 2990.6 1887.14 1875.89 2675.3 1094.88 1998.53 2279.17 1339.82 1612.22 1845.81 14157.55 2504.29 1218.66 764.82 745.61 14840.89 3338.89 1157.9 847.9 3452.53 2787.05 1702.24 1758.27 2283 5170.15 1203.79 336.26 536.02 1549.16 3670.72 809.17 1902.78 1500.38 1134 832.51 2744.77 2762.98 715.96 988.74 2103.1 1918.23 1773.09 1564.14 978.21 1045.32 5518.48 5543.37 5461.06 5590.6 5489.02 5529.18 5458.85 5186.18 5488.83 Trandolaprilat 797.25 457.93 222.68 6550.99 49424.9 40173.76 30190.43 1416.55 142.78 340.52 238.75 540.13 4340 156.46 928.8 3323.14 1143.78 345.98 312.86 955.48 798.32 350 136.3 185.98 150.43 707.89 203.07 196.19 622.57 497.17 323.55 695.42 122.54 130.86 373.21 376.3 455.02 572.29 402.33 126.49 11780.61 2780.37 123.53 112.57 521.46 3763.56 726.89 447.14 247.2 988.65 1678.26 506.53 248.19 2713.67 2276.49 571.79 803.51 562.57 833.71 2119.22 155 336.96 447.03 116.82 496.41 1338.21 1469.19 665.81 705.48 771.81 748.5 386.29 1481.06 93.09 1629.13 3800.69 3758.13 3711.82 3713.12 3791.96 3756.71 3584.37 3757.34 3689.04 Arg-Phe-Gln 2091.14 9267.67 9687.28 11804.71 3236.28 41492.45 6753.97 2720.75 10215.82 1122.01 384.96 5056.78 22579.55 8043.97 21794.93 6599.68 7670.12 1284.96 8858.87 14239.1 1622.21 5399.09 5001.34 477.48 9327.33 5700.16 1212.94 410.51 15216.67 6038.74 2501.54 3157.54 1857.96 8082.64 964.76 7292.62 14257.3 16674.35 929.52 5375.32 7261.83 2120.64 7504.27 6759.03 7994.31 1687.62 3388.11 4451.05 846.27 11087.89 7920.52 14178.97 6101.42 18972.86 14751.55 19991.22 18004.76 10866.08 12591.24 25778.88 5692.62 5901.87 20804.13 10696.6 3948.82 2038.96 681.52 6215.26 830.63 10908.97 7943.17 7612.85 3032.33 11937.91 15219.24 10658.77 11119.13 10914.83 10929.89 10647.49 10639.07 10640.32 10917.27 9265.75 Arg-Val-Arg 11674.12 2142.86 10058.47 11509.91 2540.48 4416.97 20484.09 19689.78 11507.28 9597.43 13836.94 12535.72 11929.99 11792.51 12974.61 10998.56 9316.06 8928.63 10815.31 12550.41 15381.06 7869.07 1869.35 2224.56 1054.9 11979.85 977.91 11239.54 10852.39 2709.24 16083.31 18035.13 9467.09 8275.7 10255.29 9194.8 11352.87 7063.7 10643.12 11321.58 14167.59 6268.91 9005.21 9238.79 5036.19 11068.43 11450.7 11101.38 11700.3 10741.32 11268.97 8328.42 5575.63 8383.88 15999.05 10835.11 8043.91 8437.28 10668.33 9117.28 8291.2 9596.36 11215.49 9398.76 9688.79 13590.76 10825.86 10108.46 13098.93 10672.41 10714.81 7237.46 8009.16 10835.42 11490.26 12078.28 13044.9 12446.4 12182.18 12439.94 12089.93 12185.27 10726.53 12469.96 Lys-Leu-Gln 16666.76 4509.34 3221.57 4792.31 167580.24 109493.92 12563.82 11991.92 1680.09 4548.85 2340.72 5648.05 5234.02 1948.66 7707.39 6471.4 885.63 2299.89 4592.72 1351.05 6058.46 6731.74 5678.86 3270.29 5403.85 2386.2 1886.37 679.9 5841.89 4416.96 2195.61 6799.22 818.57 4122.92 4377.76 1386.07 1263.88 6020.98 3126.15 1846.43 10864.86 28774.71 3835.09 2805.59 2785.22 5180.46 1099.98 1759.6 3349.56 4738.93 21310.67 6099.4 2985.21 5019.49 6141.32 2181.8 1833.69 2498.09 3242.55 1504.73 1576.13 3547.01 1374.61 5130.63 1032.45 8501.21 2697.95 3464.51 2845.35 3589.09 1292.25 1064.96 2703.9 3171.53 2355.81 3588.83 3573.57 3630.73 3604.49 3571.06 3627.22 3900.97 3702.94 2731.97 Isobergapten 5143.76 5510.44 3808.48 3882.34 4331.86 3407.98 4346.85 6490.29 4664.61 5922.41 4409.5 4195.17 5219.81 5798.18 6063.39 4668.12 5037.4 5026.81 5529.84 3059.2 1845.78 908.12 3790.43 4298.3 6044.5 4745.78 5329.07 5209.24 5678.75 4435.09 3035.24 4693.3 6568.71 4325.3 4299.44 5051.99 5011.99 5061.14 3672.78 5908.96 3138.34 5298.74 4731.04 5121.11 4702.36 3913.29 4570.34 5939.88 4059.87 5117.35 3991.19 4803.65 4062.07 4088.24 5325.13 5269.47 4010.81 4108.02 5166.47 3984.31 4075.63 4899.69 4588.16 3991 5573.78 5531.66 4104.57 5300.13 6305.61 5604.03 6136.91 5420.33 5114.92 3951.62 4829.48 4592.67 4710.74 4706.37 4677.76 4872.09 4624.94 4710.31 4676.25 4473.88 Lys-Trp-Phe 1009.21 2901.62 6480.83 7000.61 2589.49 1846.07 1774.7 869.83 727.01 1642.63 1640.34 1969.78 3232.37 2556.06 1081.57 1265.86 4556 928.9 2852.67 4221.05 788.08 2472.99 3128.59 546.55 632.7 2664.9 895.68 1308.94 1048.82 1762.67 883.67 1072.22 1661.58 751.02 4780.46 1289.67 1115.06 2053.04 2300.24 6762.49 533.18 1046.24 9521.5 3234.61 1055.94 3140.49 1559.61 1712.35 560.33 2638.4 1722.62 1212.17 480.06 860.61 1428.47 2579.46 6827.82 3102.4 1271.92 704.03 2166.33 8920.47 2102.71 7887.39 6937.23 2170.35 619.82 1794.33 494.38 1733.64 1991.53 6918.47 3036.34 3237.78 5399.81 1724.91 2046.33 1876.21 1960.99 2249.21 1707.65 1540.19 1878.34 1994.52 His-Asp-Glu 7099.38 2275.22 923.6 1113.63 1182.6 1303.86 406.72 4814.07 5695.42 454.08 881.24 450.99 933.59 1390.39 4236.91 2219.11 461.34 2848.18 354.86 3647.03 6501.69 1542.1 1241.65 985.67 4753.86 5476.99 424.44 845.37 4691.65 4777.71 648.07 597.62 5219.15 1108.9 886.86 2248.05 2968.99 355.89 1099.34 2227.54 976.14 545.41 1191.47 482.07 537.43 1109.35 9081.46 5569.75 5437.25 3005.34 522.31 442.35 378.98 926.99 1502.34 1052.68 790.22 754.05 2820.55 1219.28 353.87 928.87 4568.34 2673.56 3707.51 662.21 1118.44 2348.12 2891.44 3252.13 6983.89 501.84 3851.25 972.57 2127.29 2568.03 2546.12 2607.27 2540.83 2538.45 2537.72 2701.69 2542.09 2650.47 Val-Leu-Arg 2740.06 504.14 2764.62 2833.39 3844.55 1790.94 711.54 3168.98 1334.42 2359.58 2126.17 2128.93 4232.71 4575.37 1321.76 3030.63 516.03 1584.71 4780.03 15671.22 802.63 669.36 3281.36 2674.87 3757.44 5370.18 3329.6 3168.18 2175.31 845.58 13899.63 2639.75 12312.57 7716.49 2809.87 3182.78 2063.85 2919.57 3226.62 2684.56 17650.06 2181.62 3188.01 2301.89 1764.5 4001.34 1367.56 2120.71 4248.64 1811.95 4164.36 497.08 5216.44 6066.88 4455.84 981.22 2011.24 945.55 1012.48 1668.54 1612.55 2678.36 1973.5 2443.33 624.35 3410.1 636.63 2267.66 1802.09 2202.47 1403.67 3872.58 2087.72 3513.3 2987.07 2734.19 2803.01 2490.32 2860.54 2732.26 2730.22 2664.08 2797.48 2803.88 2-Monoolein 26919.6 37647.45 8407.9 9158.96 21899.66 35281.43 20916.19 29528.54 34197.46 20362.21 11097.25 20409.09 8347.52 9849.74 61801.09 10226.44 8881.07 38198.85 21782.49 70784.08 30873.68 28878.05 5646.48 8686.62 21704.67 33962.94 11237.73 9763.37 21452.54 8971.13 32077.34 17868.05 32719.13 9547.48 7966.56 23585.33 31428.84 27404.09 6692.33 15484.16 25293.54 43007.61 11715.76 9910.83 21594.34 8866.13 25911.44 24566.33 4725.8 23313.64 19795.97 27550.38 9332.66 15037.59 24064.67 31466.16 8891.55 11498.42 30135.19 23836.09 11074.83 9877.95 30694.53 13888.27 14912.2 30826.48 43461.5 9151.93 13234.66 42228.78 65096.44 28393.55 13532.32 17041.04 13372.92 22125.59 22116.67 22497.05 22135.29 22122.5 21989.36 22484.01 23375.02 22490.3 Repaglinide aromatic amine 2925.47 3369.04 3316.72 1726.15 998.82 8267.68 2143.98 4018.52 3000.56 3944 3580.17 4231.53 3785.72 3976.61 4241.21 2626.32 4673.04 7186.94 6220.44 3312.84 6873.16 4922.05 4547.35 2579.58 2445.47 2013 1393.78 3708.23 1040.53 3361.16 4595.1 4887.08 6904.23 3824.78 3437.07 3678.53 4347.34 4915.84 5212.31 4229.22 3489.93 4828.77 4414.76 3918.8 5830.67 1249.72 3561.14 3960.74 2754.61 3068.84 3143.08 3352.19 3034.78 2937.33 3043.9 5231.93 4132.13 5795.97 4544.19 3960.97 4608.64 4710.05 3676.02 2352.89 5014.51 4163.72 5677.66 4593.79 3773.95 2759.85 4158.83 3859.73 3076.71 3537.97 2783.32 3211.42 3570.48 3571.49 3570.22 3604.3 3781.82 3804.41 3575.87 3679.11 Asp-Cys-His 2259.53 2956.99 1418.27 2257.52 1563.95 2647.77 781.4 3339.63 3801.35 2417.8 2243.94 1824.16 1029.39 3374.7 2436.29 1178.34 1436.07 5386.87 4650.48 13410.87 1487.1 2913.84 2421.95 1993.01 3127.35 3306.52 2071.8 1488.09 5327.43 1339.3 11337.09 9740.86 2990.62 789.66 1346.99 10577.5 1627.66 6963.05 860.89 3008.63 6503.47 2316.61 3041.31 836.32 11373.82 12675.69 7657.16 958.6 685.14 1106.35 2236.69 678.17 2976.65 913.07 2184.79 973.21 1841.58 1652.15 868.12 14634.93 837.16 1553.08 1481.24 685.02 2690.85 628.39 1689.88 925.13 1034.25 1625.67 1533.87 2256.04 1663.44 852.27 2257.19 1842.06 1925.27 1794.14 1728.68 2009.48 2007.73 2240.77 1693.17 2071.84 Ala-Asp-Phe 312.03 144.04 120.29 245.68 703.62 190.5 247.97 263.25 168.67 103.81 373.83 334.88 260.57 204.87 198.16 204.89 278.23 329.49 154.28 311.63 254.66 148.15 120.09 229.02 124.53 295.08 260.83 318.64 740.2 126.22 557.11 511.74 137.58 250.53 188.7 216.52 270.75 358.18 209.13 198.31 125.36 307.71 254.74 213.1 230.62 113.48 191.42 208.95 85.52 180.74 196.16 272.47 237.53 165.01 149.86 225.39 250.44 202.95 199.29 173.64 270.32 238.58 103.06 146.11 274.79 158.97 363.39 221.06 309.66 183.51 357.77 256.1 198 203.31 238.8 1409.35 1511.79 1550.24 1552.39 1511.55 1562.09 1544.04 1551.37 1551.22 Dolastatin 12 858.02 764.84 441.85 10411.24 4146.05 7144.74 2652 3538.61 3650.56 2391.98 6901.38 830.93 4562.93 9047.1 9853.89 2592.25 8518.26 621.33 1675.69 10136.77 1142.76 469.85 596.51 374.25 326.05 541.27 8524.13 1533.69 11323.71 473.39 480.62 6048.46 685.16 10118.82 4713.44 5946.8 5223.61 7241.62 4454.09 3041.18 14494.33 14975.2 5643.64 4425.68 8838.46 9555.97 8081.51 11152.98 9749.92 29833.86 9855.62 8884.2 4499.9 8048.97 4679.37 6139.9 5327.17 3236.1 3710.74 3796.47 3303.67 2628.2 6270.86 5292.84 3092.63 7056.15 11305.44 3949.99 3908.91 3644.56 6238.37 4457.06 5018.53 10128.01 8305.94 4268.01 6504.8 3674.02 3577.77 4195.51 4323.96 4160.94 4061.9 4128.63 4662.29 3745.75 3830.51 4179.17 4193.17 4126.99 3170.34 3769.69 4132.7 3900.62 3888.74 4332.53 2056.91 3961.1 2493.18 4037.76 8702.49 8981.46 9565.45 8759.86 8891.72 8731.92 8747.97 9039.5 8648.79 Dioctyl phthalate 1202.86 1439.53 116217.73 1947.94 8436.34 6653.82 17369.29 87069.25 59214.63 3658.63 11897.87 28295.13 2134.1 1257.68 13704.75 33110.79 47283.24 1690.42 67708.34 8732.01 38542.61 961.19 42634.88 12415.09 72097.68 16672.87 15302.22 1013.61 38370.29 1399.1 8044.34 1786.54 17371.92 14729.86 12321.86 24563.94 16767.33 9877.4 14685.08 4860.65 3133.74 35529.75 10627.16 2140.45 5829.4 12167.47 24022.58 38431.58 134481.39 26709.96 73430.94 68216.51 70247.56 15494.48 69496.48 5426.43 143670.86 7520.15 13709.09 10956.18 71291.94 25066.12 12050.69 55467.25 45377.96 17684.36 6119.41 13308.11 8261.87 15286.8 11550.39 27571.96 15783.26 47310.53 24831.67 20074.62 20319.92 21091.95 20227.58 20937.55 18100.56 20852.96 20959.89 20205.23 7-[(1R,2R,3S,5S)-2-[(4S)-4-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybut-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid 275.16 175.11 301.37 415.49 539.38 554.52 292.35 294.63 328.62 298.1 644.92 347.35 357.72 265.51 263.34 620.47 510.09 221.24 179.65 327.88 603.21 559.51 362.11 302.23 389.19 279.01 351.77 306.62 258.7 369.07 187.38 377.03 254.5 468.07 447.49 1369.53 874.6 415 228.57 1424.3 1149.45 2079.4 201.72 366.41 889.62 1552.86 1360.45 452.33 760.13 2164.12 949.32 661.52 455.06 1339.86 1968.44 1423.29 833.71 649.35 320.56 604.07 1992.69 828.15 2068.35 257.01 1099.89 475.24 899.17 325.96 186.75 1051.89 760.26 3194.56 405.8 1559.67 738.54 1513.02 1447.68 1521.61 1546.07 1591.39 1591.73 984.09 1517.47 1434.27 Glu-Met-Gln 503.32 526.17 470.15 618.02 1008.38 1581.51 677.1 468.9 1240.17 210.24 520.5 1265.55 470.91 1179.41 766.1 801.55 385.63 263.14 959.57 1086.24 1631.96 624.52 203.13 296.91 592.26 809.86 452.72 211.07 1204.81 823.32 963.86 1300.69 482.02 860.33 581.71 947.68 795.5 1196.04 494.19 631.15 1649.42 1829.28 1315.21 1148.17 2083.24 963.08 1592.56 1366.42 670.25 518.25 678.42 1555.04 761.94 818.24 796.4 1381.46 857.04 525.91 604.42 757.98 484.4 726.35 1215.45 1402.97 677.29 1270.39 1067.79 511.1 450.69 569.03 703.77 969.53 752.91 2509.85 1016.69 1976.6 2055.29 2224.91 2244.95 2063.04 2188.4 2222.54 2243.5 2552.77 myo-Inositol 1,2-bisphosphate 13308.42 10661.08 10571.87 12922.89 9519.8 12087.7 12871.33 17622.46 15212.52 14556.97 15007.86 13724.89 9557.39 15274.64 12906.22 13217.4 15730.94 11859.21 12168.16 10305.41 14930.6 11603.82 14415.11 11594.26 13562.76 11559.83 13841.8 14989.12 10512.76 13721.58 11377.07 9154.59 13572.93 12294.75 15851.89 13853.53 15691.63 12885.94 14781.41 16972.34 12699.85 11053.03 15824.59 16344.5 14150.1 10282.84 14450.71 15221.14 13851.37 12144.71 14922.28 11602.96 15289.32 10683.25 12819.9 8469.77 13447.24 14368.64 12579.35 13518.55 14237.01 13123.57 11883.2 14797.49 13142.12 11856.9 11253.57 9468.22 14169.57 14232.09 11080.86 13669.51 17344.65 13519.69 14195.08 12179.14 12140.28 12428.87 12083.34 12172.9 12798.92 12451.14 12185.68 11806.49 Indoramin 125.84 66.61 3661.03 5518.62 41283.57 57548.31 25523.13 602.56 1030.8 71.13 834.51 1584.29 230.15 118.94 512.24 875.07 70.26 2066.87 2524.35 478.16 81.71 4671.75 1738.46 83.09 135.53 430.17 79.44 693.93 123 455.63 499.33 163.39 948.13 183.48 120.34 117.56 115.07 645.69 174.72 1125.96 13951.6 1476.54 1416.5 1095.32 111.43 2725.5 368.46 2705.13 86.45 132.83 562.41 92.31 98.63 370.74 176.34 1672.64 71.15 1036.01 529.47 2268.63 1082.39 564.71 133.32 2414.95 551.83 488.36 1740.56 110.11 1552.11 131.87 508.32 1247.67 832.35 312.18 1003 3889.28 6402.39 3429.75 3898.44 4248.49 3969.99 3954.32 3336.52 3385.16 3985.46 4877.78 3178.91 3829.52 4647.95 3480.26 4288.27 4244.42 3869.19 3942.11 4020.97 3733.76 3924.79 3983.16 3938.92 3543.13 4887.89 4874.38 4655.45 4875.34 5062.86 5062.73 5017.44 5633.9 5056.02 Stylopine 25071.51 45799.65 18523.02 16923.49 19714.38 10319.89 18130.72 24487.61 12526.67 42645.07 15936.16 22357.41 26822.97 30699.79 36692.11 26506.63 20359.21 29084.36 40639.49 6539.37 5042.05 15203.66 20584.68 27108.53 42124.99 21428.79 46429.96 33209.13 40817.65 1588.17 9814.94 28633.51 27713.03 17464.15 15929.99 40100.8 24900.09 21914.56 23208.75 37021.92 8516.5 22011.19 22242.74 22610.98 18877.1 17126.28 22683.56 52702.49 22598.04 26602.43 16963.95 30621.57 21999.46 21772.06 20864.49 37957.57 19362.16 22823.24 27887.01 16864.24 19159.42 23026.49 23952.5 16636.32 32360.28 30412.76 14472.37 44479.12 40305.48 27835.06 23984.63 38807.19 22461.77 26357.13 24563.34 24618.77 25219.2 24902.43 24629.65 24898.63 24900.6 24618.96 24766.76 23561.63 Arg-Pro-Arg 11858.99 14409.8 13333.75 17948.71 3165.04 21397.97 4896.57 5207.77 3763.5 6563.34 11573.01 8274.92 16266.01 22200.09 8714.86 2771.37 15059 17109.57 14814.12 17054.29 5680.89 3750.7 10150.53 13090.52 2103.68 15739.74 1983.69 7373.9 11309.75 2472.69 15171.61 15806.28 7817.86 13557.69 9889.62 9733.64 7929.79 12446.49 5448.33 10200.63 2968 12038.65 11707.6 13842.48 10156.23 16672.4 9571.21 18584.25 8057.23 9909.82 4142.35 22066.69 13662.42 21624.63 11397.3 21580.21 18728.95 14711.16 4185.44 16283.33 12137.9 8683.97 13069.3 11557.19 12755.69 11739.03 20579.25 7244.33 13095.58 9894.53 8016.4 3877.95 7807.31 18451.95 14965.99 3547.41 1854.83 3929.34 3756.01 2288.56 1841.68 3331.76 3764.83 3496.92 2893.28 2382.54 2780.54 4746.2 3183.44 2482.3 2653.16 3803.63 3399.72 3566.63 2959.52 2818.33 2763.22 3828.83 2870.26 3142.52 9484.93 9822.12 9788.86 9109.02 10247.71 9541.37 8846.42 9287.53 9727.84 Gly-Pro-Trp 18466.86 11040.42 3865.63 8898.48 20281.69 5058.86 2379.53 16632.65 16620.2 16292.6 11870.4 2530.03 5216.95 3103.5 18741.27 6900.12 4695.3 7147.43 7193.21 1031.84 10084.05 2498.9 1392 7102 19349.94 16265.59 11174.21 15259.81 5606.79 2331.4 1862.96 8348.27 6682.92 2901.92 5199.36 15364.61 10649.51 5857.26 8851.55 30236.29 8575.52 16514.42 4684.6 8226.26 8586.79 3362.42 3532.19 1680.69 606.8 4086.81 11207.2 5870.96 1955.53 2934.98 15895.99 10582.73 5016.46 5521.16 16999.59 2401.5 8056.58 5531 11281.42 5602.22 5084.24 17352.96 11606.18 10683.6 6914.54 24344.03 11228.63 9083.12 9603.57 1612.3 5284.28 9863.48 9796.3 9195.19 9309.59 10076.05 6499.59 9343.27 9185.04 9776.46 Arg-Gln-Tyr 24369.38 14831.52 880.59 508.4 26382.18 16105.09 2370.42 43787.11 33832.05 14445.82 11638.44 20193.14 11710.5 2832 31986.75 23748.38 4627.16 37126.58 36137.73 40383.88 41677.77 1104.99 11488.92 12685.94 35935.01 25620.66 7082.05 7998.19 45807.91 39496.87 32310.67 43121.52 20988.86 19957.88 8639.87 31573.07 30353.54 13465.98 9724.37 8960.09 20591.13 53831.03 19107.69 12345.72 39965.64 6567.17 33394.3 21581.7 23508.95 40181.42 37910.97 23595.26 13260.4 11145.97 28581.67 19751.37 1327 6619.1 37897.1 4999.38 10334.29 4824.24 28440.64 15525.48 12592.77 33380.75 25582.67 11437.84 13624.06 39181.16 20498.22 19931.63 24297.25 19195.88 14980.05 23761.03 24058.27 23770.94 23744.9 24059.81 24651.66 23856.97 23567.39 24072.07 Phe-Phe-Glu 545.62 336.22 2774.5 1104.76 3993.65 447.36 2247.5 2360.94 1629.69 6985.99 2951.66 1793.99 8294.38 384.23 3599.54 6446.91 20187.38 522.11 2426.18 629.78 2179.48 523.01 634.29 2041.36 512.86 296.18 1011.55 564.12 2715.42 1641.58 1768.1 265.5 7863.64 1218.1 1707.93 1201.04 445.54 3734.17 1051.66 1082.9 1246.94 1998.63 812.41 1590.68 253.64 4689.54 5156.72 2376.37 1409.49 253.93 2178.2 1490.69 1875.14 2211.71 1740.2 2996.59 22569.06 551.61 5803.97 910.04 1583.39 2521.8 374.83 769.24 268.1 2438.48 932.14 2558.25 1346.66 278.3 861.79 1136.76 1008.49 753.69 1812.58 4383.48 4050.43 4009.21 3925.9 4030.31 4035.35 4062.06 4065.5 3864.9 Tyr-Val-Arg-Lys 1396.42 14045.16 2378.91 3288.01 25537.87 20740.35 4511.19 28131.43 41063.28 7726.2 10338.54 9103.31 1526.75 1528.91 13766.11 1798.35 1105.96 21832.12 11183.1 23061.58 19419.46 933.72 412.86 1152.49 15112.81 1883.32 529.82 3925.79 20125.97 5806.19 27250.56 14298.23 861.11 11313.02 7368.42 11287.78 15080.84 20928.76 7444.71 7376.79 22564.42 15237.49 7207.18 6780.63 27541.39 13510.22 20627.52 13448.68 2604.87 6367.06 6510.84 10514.33 10446.9 10557.16 13547.56 11438.8 1740.78 6532.04 19581.69 12080.18 6662.21 1813.7 13502.3 11289.88 12793.08 8953.42 12119.73 7817.28 9626.15 15865.33 28144.68 10703.29 5672.29 10359.8 8620.88 14480.28 14733.19 14483.98 14523.66 15268.24 13864.29 14469.3 14515.11 14774.16 Ile-Ala-Lys 1782.23 400.01 1672.49 1069.35 3217.03 1447.96 1074.61 5363.56 5006.23 2512.6 488.07 1026.39 1239.54 416.12 5918.07 1566.97 685.88 3168.79 1810.16 5115.25 399.13 732.99 491.1 886.29 5368.12 5336.35 580.88 420.07 4274.59 1252.61 404.97 739.35 4275.39 556.13 2351.65 2700.54 2946.07 1207.54 432.33 3007.23 2320.51 2449.92 4419.83 959.8 2051.79 1458.66 3298.32 503.04 478.23 796.48 1547.65 1028.94 879.13 1416.37 2016.63 1138.29 917.46 2074.94 2763.79 1869.2 841.77 659.15 3171.21 2194.17 3566.55 2067.78 523.09 1696.35 1456.65 4039.56 5759.79 448.93 1775.19 3425.58 1022.59 2242.77 2284.31 2241.61 2277.63 2215.05 2272.61 2447.04 2247.89 2276.43 Ala-His-Ile 6283.35 4099.14 863.65 7318.99 7159.68 11765.26 9760.99 35380.43 22793.8 22899.89 9465.08 32736.28 3011.69 4836.03 4021.08 25524.24 2127.34 44762.43 37509.56 41083.5 32951.54 989.37 21321.01 4763.08 2826.63 4362.25 838.62 2047.79 45661.94 1054.06 25589.63 95672.27 44435.38 32815.95 5003.38 23827.68 20433.92 12529.95 8523.38 3582.55 17470.91 35148.61 10398.26 8874.4 38766.92 21462.36 23367.65 18743.86 40976.12 29571.23 39640.96 15493.78 12444.71 10521.82 24046.59 17834.36 2258.29 7226.17 36330.33 7386.25 6111.35 9829.77 28752.7 11443.69 9218.54 16581.57 18614.81 3669.34 9414.39 20228.67 13519.07 20093.62 17928.64 14052.73 6398.47 28125.01 28958.54 26252.72 28413.71 28915.84 27673.54 26179.95 29054.67 32239.12 Tyr-His-His 30602.04 6138.65 657.24 4907.88 41982.28 20569.43 717.29 63360.54 53246.79 25244.55 447.73 19723.74 1124.51 15177.25 43328 2077.45 11116.46 96921.42 56596.89 9714.07 40426.01 14683.59 17715.15 13110.53 58282.89 45810.97 1601.12 18637.49 54342.69 24213.05 90405.73 31973.25 37837.04 16265.84 1233 55765.47 54825.92 1697.93 885.16 4674.57 2392.51 49851.38 1847.57 1865.91 76086.64 13370.14 68869.78 26333.02 12453.91 47952.98 35495.14 18324.07 16342.13 13958.36 21473.25 6411.01 598.12 1274.08 79741.68 2413.42 954.79 1642.46 19314.3 10807.3 14436.01 5282.6 29067.51 3748.8 6293.16 59196.98 36539.26 19905.07 21732.7 3273.39 2375.07 29630.61 33386.24 29693.22 30363.53 30344.5 30438.81 29623.62 29494.04 30147.15 Benzomate 13242.88 17488.08 10541.96 8636.03 10581.32 14817.83 6230.91 8492.83 10936.48 14285.82 561.32 6801.47 8611.07 8792.78 10471 7506.53 6143.11 9935.36 12191.22 10948.91 18652.98 11656.84 8269.1 10058.51 10224.7 9553.75 11944.76 7793.23 11785.69 7693.64 10098.72 9028.61 5463.62 12581.01 11007.78 16546.13 9121.01 8955.78 11245.06 8374.5 6042.4 8149.31 9499.48 8325.7 9151.03 6185.24 13216.04 12656.46 5334.05 6088.58 5321.83 7890.42 8897.24 6099.93 4655.98 17745.18 8800.73 6655.7 8484.25 4307.97 7255.25 9064.9 7417.91 7956.77 12043.57 8306.58 6739.62 15796.05 10431.8 10506.31 14119.28 9097.39 3950.6 5838.01 9520.35 10622.41 10528.15 10422.8 9909.02 10233.53 9894.3 9221.55 9221.16 11595.73 scytophycin C 4918.69 9899.45 7064.77 9697.29 15840.68 9028.4 19637.68 12815.77 12334.5 12783.39 8623.11 3688.35 9133.06 3946.83 5834.42 7601.57 6385.88 3725.61 11442.18 1490.85 10423.77 6113.34 4396.36 7460.84 2779.92 1439.3 7292.08 7068.44 2379.48 13059.1 7699.74 19737.54 1730.54 11639.6 7836.02 18154.67 12153.59 10738.95 7155.1 7548.13 20157.23 13983.68 6988.52 6530.38 14159.76 8337.18 23594.99 11242.22 10531.19 18504.23 10835.85 9473.88 6789.25 8226.06 8325.82 8219.01 7019.24 5036.17 9508.3 9342.81 8337.89 6967.12 8499.35 7719.49 5320.5 10185.2 13495.99 6222.67 7623.44 10948.44 10718.81 9813.2 8061.07 8904.79 10231.92 12231.04 12916.08 12237.84 12275.12 12425.95 12433.21 12228.45 12344.35 11686.74 His-Asn-Gly 7370.08 11510.08 13059.72 13944.25 19548.78 2000.43 8835.77 10403.81 18009.44 8619.77 11458.72 7425.1 14397.33 14948.91 10219.63 10787.03 8665.95 2343.37 15563.16 5753.86 12276.53 3009.98 7259.62 1468.53 19362.37 7204.44 2553.11 10845.32 19363.63 16843.45 14135.37 17868.9 4091.25 15350.66 15117.35 15942.93 14757.79 12645.32 6472.04 15121.87 15251.53 18858.48 7660.93 13659.74 12927.3 15762.71 9862.81 10540.79 9073.15 8859.58 13127.91 12369.86 15443.29 17053.72 7081.74 10045.77 10981.62 3267.98 10337.58 17672.27 13556.06 4070.59 11762.87 14816.7 17464.55 14029.77 15683.14 10102.64 8913.76 17613.53 15539.82 4829.38 16341.21 17412.63 13889.27 13528.45 13570.46 13049.35 14023.3 6536.04 13620.15 13782.58 13913.41 12012.99 Pro-Ser-His 11478.4 2034.68 10141.62 5205.43 2503.91 11940.17 13734.04 15141.64 11263.43 8348.8 14069.49 8919.63 3557.71 13114.12 5556.7 13950 11362.79 6958.73 4821.34 6459.66 8895.62 1189.77 2382.08 13942.68 4971.52 7682.06 12384.16 3323.26 2555.19 1422.94 7839.35 10042.93 1272.21 7123.57 12645.79 9330.82 9173.47 9471.17 12522.37 12356.52 2647.97 8875.07 10517.87 6945.63 3027.26 5400.24 11681.79 7703.08 8403 9093.59 7732.65 6020.42 8441.95 5981.91 8089.83 3089.96 13403.96 11012.62 6840.94 9819.08 15916.69 7214.74 6854.67 8539.76 8842.25 5183.17 13438.7 13216.73 8883.45 3271.13 10462.83 7998.69 4194.66 11120.33 15050.74 7606.52 8210.53 8171.77 7328.12 9819.32 7135.92 8223.28 7861.92 7898.79 Lys-Ala-Lys 15192.73 16330.87 3234.42 32983.55 20288.84 58568.03 132359.01 30621.35 13503.69 5630.55 9935.18 14054.86 15289.21 22210.45 17263.99 15675.45 8479.26 22756.05 30996.15 9546.13 16284.97 5034.54 10141.24 9381.85 17562.58 17352.53 11911 6120.55 16392.84 2258.33 7077.4 17787.13 6942.4 18403.41 9756.06 43532.07 21034.9 7377.18 8747.37 6188 4456.52 18540.74 12580.63 6645.19 33840.33 73223.4 14960.71 21034.97 27203.71 30959.44 39378.34 26039.23 47317.85 16934.09 18931.77 14113.06 6248.36 2078.82 20719.78 12172.29 36376.1 21088.99 23957.97 13662.09 11453.32 20524.7 10881.32 8059.12 7328.56 36843.5 15689.76 7680.51 15457.43 5714.98 12300.51 26200.6 25392.06 23768.11 26237.07 25984.22 25243.08 23585.95 23624.24 23882.72 Arg-Glu-Gln 7618.92 2510.4 704.6 1800.01 655.21 980.36 4865.94 7572.52 11272.19 2101.15 311.97 8564.1 6034.34 2122 7478.08 5116.86 856.97 10098.29 3205.57 4368 8181.28 574.95 506.67 3424.23 18055.21 4142.99 2419.82 711.55 1436.33 12537.1 7568.45 8726.01 2731.04 2120.32 1468.55 2711.42 4400 1755.59 552.25 7068.09 15296.5 8835.35 421.57 2066.34 6495.25 2190.09 7336.06 5742.98 4079.6 8756.91 7886.15 843.74 547.3 4001.89 3450.7 2655.05 1230.85 1531.69 4163.73 1008.56 1132.04 472.53 786.7 680.48 856.68 7588.7 1508.25 835.5 4114.94 5369.5 6979.58 5569.35 3245.39 1853.96 1118.22 5919.04 6196.02 6103.51 6104.02 5898.07 6014.78 5811.28 5933.38 6264.29 His-Gly-Tyr-Val-Glu 17320.88 22393.06 8266.74 12015.88 11434.31 20796.99 16570.7 16068.86 11093.4 13868.11 12400.64 18910.29 22565.32 28909.43 9792.2 17011.19 10350.97 27516.35 49812.16 5799.69 10634.06 8856.08 12402.86 17396.87 22855.67 17628.44 15350.35 8730.02 28652.45 2459.32 14293.06 39457.35 12163.54 688.16 15646.95 18449.98 17121.64 10727.27 5324.68 3940.3 16298.83 14612.31 3325.39 6094.03 13197.34 6358.08 11554.82 14283.9 3441.14 31650.51 24372.6 27383.26 14284.44 1544.36 19937.92 15490.73 2189.28 2808.9 13346.75 9662.42 11104.12 4606.36 16038.94 13439.58 1048.56 18072.08 10421.85 7588.39 2410.18 14807.73 10239.43 11223.24 7346.7 5588.42 3311.96 8899.8 11110.89 8809.45 11560.73 12724.48 10525.68 11905.43 10995.45 11644.04 Gly-Tyr-Asn-Ser-Tyr 3945.57 295.25 120.08 156.86 293.4 98225.7 2117.13 909.63 1055.6 26404.24 206.31 223.64 103.59 143.69 3331.64 110.96 171.46 3544.48 1008.97 3017.82 3874.87 22883.83 72.28 1370.78 490.8 26259.55 1135.65 209.87 352.15 185.45 123.8 951.71 6459.47 5327.15 251.36 680.75 326.32 29392.24 911.25 292.49 153.89 7270.86 59.99 190.58 590.14 163.58 457.29 329.29 543.77 793.8 5459.13 748.73 173.94 87.77 2152.52 93.3 52.14 169.36 4749.99 34601.78 181.89 326.99 1011.71 5381.69 173.82 3853.92 272.37 168.23 350.99 240.65 80.63 21456.38 491.37 138.8 195.08 6304.78 6483.3 5710.26 6089.26 6235.07 6166.63 6243.78 6065.15 6065.14 Lys-Met-Met 1163.7 1323.45 9188.13 3109.32 1666.46 2370.7 2002.69 3172.11 2040.91 2002.22 713.82 3243.87 933.49 959.4 1229.9 8919.1 5966.61 902.21 1910.98 1975.8 2492.23 1498.76 7909.91 2265.97 1761.29 1356.58 1782.38 3001.35 2454.25 1422.09 2180.91 2675.42 1906.8 6174.6 6831.91 2045.29 1710.87 3286.22 2159.01 6078.42 2251.95 1656.9 5805.26 5060.56 1672.04 2331.89 1842.56 2389.14 1602.51 2667.11 1575.6 1526.78 4640.68 3959.46 1737.5 1239.59 2921.92 6272.67 2270.31 2368.19 2422.76 2242.46 1310.63 2943.23 8863.59 2036.68 2290.22 2393.71 1220.94 1047.53 5074.11 8131.74 3722.77 8466.37 8675.43 1780.79 1704.81 1984.68 1714.19 1788.36 1871.45 1704.15 1690.22 1447.67 Glu-Leu-Ala-Met-Met 12246.13 25291.58 7530.23 5834.62 1664.56 33012.96 5765.34 737.47 951.19 18376.11 485.16 1125.43 1089.21 3357.12 1393.78 3148.06 935.96 1013.48 777.52 1404.21 9011.91 16471.29 7382.28 2216.57 1247.83 23988.39 5335.56 360.19 1095.57 509.11 1180.75 1915.18 16346.79 7635.11 2216.3 569.94 4760.92 20053.42 1798.47 339.2 1480 19726.51 4505.56 1126.91 9466.69 2376.19 6769.02 2021.45 1261.4 2896.92 13720.91 40325.79 2827.4 1693.88 6338.82 21811.44 2983.27 4372.3 10128.6 14905.94 386.45 5770.73 19262.78 5303.11 3366.74 13430.64 29734.65 423.63 481.98 4235.22 20640.93 16130.33 4121.82 5837.91 1285.5 8820.13 8518.14 8666.27 8796.85 8851.95 8798.82 8302.78 8813.64 8112 Talwin 16310.21 28858.01 12082.37 17695.33 7221.9 13861.28 13011.18 21534.22 23084.81 17741.13 23071.97 12896.32 16665.32 16258.6 32639.96 22081.76 31577.9 34203.13 19539.37 34887.6 20808.45 13762.32 10618.4 15819.71 17906.12 31559.08 21371.77 14832.67 17126.64 41764.16 28123.68 18899.36 43095.6 14873.98 21572.33 15721.45 35916 36236.75 17098.73 35369.22 30845.93 14534.82 16889.95 21378.3 17609.59 11258.77 28152.28 29057.57 10114.3 19462.49 17444.5 21455.94 13906.73 16744.1 17753.42 25853.96 26222.1 29246.92 38194.7 41811.97 25067.12 15296.79 24905.21 32097.98 37589.45 13916.82 20492.2 13172.65 21293.14 28958.6 40639.49 28063.17 28990.15 29402.62 25066.67 21461.86 21481.66 21466.66 21441.84 21033.77 21310.84 21306.76 21461.45 21308.29 His-Gln-Thr-Glu 5019.82 23981.12 37790.02 16417.57 12275.44 6030.41 28452.87 10592.28 19146.63 46210.91 39024.09 24507.93 30599.3 27405.81 8062.08 38789.5 35093.82 6807.1 61716.61 11085.04 3739.41 8907.34 10176.54 41226.15 7022.06 33759.96 46428.64 46028.63 41510.71 9242.89 39687.42 15454.63 21019.08 55704.13 55098.29 29442.8 30869.32 39689.22 34310.48 44442.94 31345.2 31250.23 51802.99 39159.08 34196.16 39492.47 43439.7 58452.34 31160.59 52713.52 21691.77 39882.89 57747 55770.4 17412.83 31150.59 33950.47 17854.41 13139.79 9859.5 27189.91 43234.57 25028.63 62611.16 42814.78 36453.51 20679.62 30994.47 38862.5 31482.25 31006.5 48125.72 46337.35 45543.8 36296.31 35452.48 34808.43 36253.14 29252.59 35358.2 36551.89 34895.05 35924.84 34873.17 Lys-His-Ala 1785.19 1376.91 1191.61 1045.07 1444.07 1591.44 2296.93 2237.94 1044.18 2263.91 538.41 687.1 514.16 646.11 1113.64 1386.16 1058.49 935.09 1236.59 1158.07 2309.69 696.1 846.03 842.64 1501.79 1526.35 461.55 865 2655.6 522.68 2366.53 446.2 765.74 718.49 1018.88 551.84 1633.73 642.97 978.12 682.17 412.34 1117.6 1033.69 885.44 724.46 1104.72 4345.63 972.39 709.94 605.12 909.34 1687.69 959.2 578.54 1321.13 1550.69 1074.52 1034.84 1294.59 690.73 828.86 818.4 1165.35 1310.81 893.95 473.26 903.05 780.79 890.64 957.74 3075.72 1839.18 659.45 860.4 502.41 1229.85 1188.77 1309.59 1184.16 1257.29 1201.8 1228.66 1211.29 1233.96 Pro-Met-Asn 6910.55 5594.68 15717.89 14428.43 13320.06 7779.75 19723.68 11014.29 7164.22 9250.07 5995.14 13506.77 21927.04 12164.93 5694.87 4763.5 2571.97 12240.43 18393.9 8875.98 6328.04 29477.69 10442.54 11349.31 16746.79 5780.32 14065.48 13933.75 5363.7 4883.24 8615.76 12470.2 7599.57 5329.24 12861.79 7117.95 8031.05 4945.71 12668.15 9194.03 3104.36 9174.41 16571.43 10384.45 6873.54 19339.88 4646.25 13473.12 16886.97 15046.13 10721.52 12171.98 14920.67 13467.25 9512.99 5638.81 7964.53 8784.8 6938.71 13945.78 4766.86 8658.5 8584.91 17339.74 7260.15 13588.45 2856.77 10746.97 3652.95 6570.96 6400.8 9490.48 11327.68 6486.07 16160.67 10381.47 10412.82 8871.47 10365.51 10868.12 11742.62 10540.06 10791.25 10435.04 3-Palmitoyl-sn-glycerol 2875.36 6681.34 5900.95 3283.35 3097.54 2733.52 2386.78 2548.77 4015.62 4889.08 1770.04 3426.14 6818.11 787.52 5169.21 2098.82 4828.47 4433.31 7026.11 6686.75 6901.1 338.42 671.97 2433.94 750.25 2217.94 1599.77 1175.51 2057.48 3450.32 2291.22 3002.79 8144.07 5707.42 3590.39 6136.88 4579.14 6075.71 5371.99 4321.48 8689.43 6039.12 4802.13 5154.45 4522.25 3058.15 4498.42 5389.87 4885.41 3285.19 8642.31 3968.66 6235.83 1002.61 2930.48 7278.2 4721.35 5498.19 4512.39 2884.57 3636.51 4339.54 3833.74 4957.64 5578.32 6279.71 8624.85 9329.4 3611.91 3719.54 5459.81 4064.08 4092.99 4631.33 6563.41 7268.91 7701.01 6951.27 3544.06 7203.35 7832.78 7815.36 7846.74 7572.74 N-(4-methyl-2-oxochromen-7-yl)icosa-5,8,11,14-tetraenamide 3066.7 2305.76 1258.92 1992.47 36665.19 7229.96 5507.7 19832.78 4724.11 2202.32 1895.78 4225.44 1752.97 1215.28 1276.05 3674.01 1122.3 25759.84 20676.27 1510.8 5176.2 944.57 1337.91 1237.52 3219.67 16544.03 1602 758.21 3767.59 1009.03 2645.4 46580.45 35505.27 1297.7 3545.67 10950.16 12071.11 2311.17 3878.33 2532.21 32603.41 10960.51 5457.71 3478.02 17990.71 2787.32 9797.58 7103.71 11289.17 15714.89 4959.49 5810.08 3224.12 1680.09 15725.11 10978.68 1743.85 969.46 34905.56 3937.99 2697.99 870.75 9627.82 5487 4157.12 11612.31 6004.73 4750.92 7342.14 16531.35 10474.58 10908.91 6275.46 4484.79 2098.02 80531.52 49498.66 51607.11 49576.17 26536.0 31238.81 14361.35 35583.18 36301.69 3367.48 3067.12 13472.47 13207.52 35300.69 9920.58 28433.24 12178.89 77791.73 27561.67 6900.4 41217.65 8613.44 41530.65 30534.63 70149.79 9705.45 10824.32 10734.13 10603.4 10459.78 10419 10829.66 10534.35 10767.11 Desfesoterodine 23215.67 25574.17 26756.21 7604.62 3104.97 6637.9 43306.71 43258.68 24309.07 22347.54 33463.42 23894.08 6756.68 2043.77 34428.28 6434.32 25897.58 25213.34 3847.37 75209.1 32317.48 19558.57 18501.63 32301.29 22779.91 25929.44 23946.49 23611.3 26021.55 22794.13 27795.64 36545.97 24308.17 24840.05 23506.4 25329.02 24355.93 24146.79 21161.88 22886.94 25947.5 38404.67 15572.37 23959.57 16805.35 29149.67 7771.73 24234.04 20463.34 15078.43 24965.88 25395.01 23996.85 26233.95 33054.49 22809.91 22017.6 20558.37 29995.58 23921.16 25346.98 21955.73 27267.44 18895.91 25295.76 17213.28 27475.57 20802.48 27380.97 27312.23 22274.9 23362.61 23129.89 23126.62 26543.16 10980.47 23123.62 11213.18 11289.69 11017.66 11155.38 11326.83 11035.92 10519.14 11437.14 12882.87 11072.0 11376.02 11288.08 12633.78 13177.12 11516.06 10786.62 11710.0 13171.23 11488.74 12583.93 10179.59 11167.65 10946.78 19494.54 18647.66 18348.71 20910.91 19562.53 18381.44 19584.93 18734.01 19658.1 Methyl 2,5-dihydroxycinnamate 871.11 1534.19 5994.46 543.45 841.6 918.81 3445.38 3824.42 330.68 9850.25 4291.52 529.05 929.77 1672.55 2743.83 6433.09 22672.55 1150.92 890.25 1237.01 725.74 2450.02 402.53 370.73 3242.03 5362.64 1590.5 2088.22 3912.77 393.69 2371.69 411.41 16339.25 2166.47 1655.93 825.74 754.91 4521.65 1292.15 880.53 1794.66 2814.93 1423.86 3758.42 2354.85 4020.86 4592.14 864.06 3140.18 2044.05 2194.32 4461.24 2904.39 1321.02 1398.56 4943.84 15425.82 626.71 9014.22 1024.64 2120.49 673.12 1858.47 637.04 1891.55 3358.63 2291.94 2809.74 4583.1 1259.87 1220.25 5001.88 1159.91 2538.5 1093.39 4408.5 4179.03 4391.07 5216.77 4383.12 4379.23 4145.13 3696.33 4145.38 PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 12889.56 12466.01 12549.79 551.56 494.68 721.21 611.92 2366.8 14416.72 2067.59 479.73 12598.56 15472.07 13212.82 13582.1 426.65 11895.42 14248.43 460.79 14690.24 14127.14 14088.01 10749.18 12142.38 14622.63 957.28 1848.48 12110.38 15658.98 11903.92 7509.17 10136.31 11453.78 1623.48 762.12 1195.86 520.77 2314.91 956.34 964.04 5896.16 6337.66 867.16 1297.2 8217.65 3561.06 2669.53 906.24 11033.08 13005.87 6735.75 2386.22 643.98 4045.2 1142.49 2436.45 559.76 855.47 491.89 660.65 1344.38 641.65 1746.4 1577.66 645.47 6889.39 10345.81 1885.16 1280.12 1119.95 3211.51 1956.74 3137.43 3477.35 2900.33 3055.15 3105.99 3190.24 2912.55 2953.32 2923.91 3106.55 2944.66 3038.48 Arachidonoyl Glycine-d8 5494.03 11452.26 10012.24 11055.83 3885.47 15032.84 4267.49 6067.96 9787.44 7071.82 3181.68 3683.06 6112.51 6060.35 12319.85 9708.06 15367 6959.98 9771.19 6337.64 8376.9 3961.72 6976.14 5992.2 4288.69 8569.74 3841.1 6642.54 6841.9 12254.17 7849.06 8347.96 8462.93 2794.86 7245.8 3635.35 11147.67 4721.93 1505.35 23750.83 1660.95 4483.6 1288.57 2071.01 5491.7 5646.06 6715.68 7236.5 3613.41 2405.35 2489.96 1509.9 4138.96 1386.41 3961.66 12771.41 4899.39 2561.33 18961.56 13419.52 11679.05 2576.38 4324.07 1812 9246.06 10118.8 1681.12 976.39 4418.92 3593.47 6830.97 2667.91 4506.86 3238.66 6091.51 4021.24 3455.43 3977.49 3834.66 3637.44 3591.02 3831.2 3610.94 1843.64 Ala-Arg-Phe 6572.41 720.25 1740.4 1544.59 1593.97 1794.19 2658.77 9090.95 846.77 6080.77 1146.91 4306.54 3738.15 4955.32 11693.47 1558.5 2582.92 15063.66 3466.53 15617.98 8403.36 800.63 598.65 1004.74 10509.51 6824.16 3420.71 1169.1 2727.3 4943.51 9414.61 15209.43 2446.17 3835.69 440.45 14471.3 9613.28 3389 1342.35 883.14 8461.27 9671.66 4834.46 3841.49 11719.1 3382.65 14981.28 7825.55 9050.36 10380.5 4488.07 5740.03 3720.59 3123.62 3713.15 6611.87 1702.62 3664.69 12272.18 3819.5 2300.87 2324.21 5800.11 4790.08 6392.07 1575.38 10018.85 1366.99 1625.22 12046.41 4844.42 6612.69 6529.72 750.18 3866.59 5986.33 6123.41 6589.02 6178.64 6171.94 6081.69 6080.75 5985.86 6028.45 Norfentanyl 1171.1 940.41 795.47 654.15 1960.88 2112.25 1436.68 1920.64 1801.14 1030.99 561.26 954.75 1465.75 871.7 1064.35 1642.09 902.27 1807.54 1781.27 1952.97 1649.24 787.16 714.55 866.9 1679.6 1597.38 1121.28 1148.45 2803.84 1291.43 2057.27 1682.24 565.87 1090.51 1053.27 2649.42 1410.7 1176.14 1089.14 896.49 2550.03 2433.96 893.24 1192.77 2039.57 1686.46 2841.22 1555.11 1374.31 1971.41 1144.6 816.95 1063.66 2033.33 1059.06 1238.55 655.41 902.55 617.87 1282.6 601.8 693.91 881.88 711.26 1146.57 1494.93 1686.56 1171.96 1349.11 1199.61 1414.69 514.88 760.25 1716.99 1133.03 1630.56 1623.83 1597.77 1624.88 1615.04 1624.42 1564.87 1602.01 1632 Halopemide 6681.3 665.71 957.64 632.07 692.04 1815.31 1631.24 4589.01 2457.76 1444.04 1080.59 1047.61 1025.64 1428.89 916.7 1045.12 689.29 4180.73 1849.43 2170.28 3667.33 443.47 1427.35 601.83 1925.15 448.42 1751.84 1371.84 602.58 749.36 701.15 1448.64 1465.14 1306.4 447.46 2732.84 1236.53 574.46 1253 2012.88 2412.29 1061.62 1124.05 1534.28 1319.62 971.51 13483.55 2445.83 8165.5 3987.79 888.83 1247.33 1346.37 1058.58 1434.92 1110.63 1339.61 1146.29 2105.86 1052.96 1074.28 1492.25 2209.7 1690.42 3324.28 1306.75 445.05 2373.93 2721.99 2358.95 6725.58 2293.15 2978.58 695.45 2248.72 1534.56 1219.31 1674.05 1621.57 1534.62 1507.76 1533.93 1619.72 1966.6 Glycerol Tributyrate 5701.07 21704.58 1207.37 3978.84 10414.81 4519.34 1956.45 2666.91 2882.8 3370.88 1145.71 4801.11 1349.55 2298.13 2448.89 9894.79 3012.54 1470.9 7400.81 3871.09 5687.62 1985.33 1685.75 1266.98 547.11 945.44 4301.84 3807.41 2313.62 2602 2019.17 1845.34 2980.04 3504.24 3242 1097.1 574.83 1075.81 3916.86 783.51 4356.68 4249.2 8677.13 858.13 1859.57 2466.47 1686.14 4424.33 4379.42 6380.02 3903.99 4000.27 4996.53 5079.07 2732.72 2297.68 4066.81 4569.01 5834 1626.9 1913.27 3043.63 2537.61 2614.95 2331.77 1383.62 5449.12 3319.36 1804.83 2321.3 3003.6 4491.99 1154.92 3470.83 4829.8 2296.65 2477.7 2136.5 2396.23 2639.9 2252.49 2556.23 2555.83 2684.96 Pro-Gly-Val 603.39 929.69 713.71 488.8 2145.49 938.74 767.61 1641.41 2784.47 1003.83 899.87 1087.87 371.3 929.18 860.9 1036.75 711.45 743.48 755.92 4389.31 1251.41 1006.35 430.23 1132.18 1969.36 987.07 402.43 1167.07 829.45 677.06 2393.44 1093.11 1606.39 732.95 521.14 450.58 2109.93 985.14 658.31 698.22 4235.01 2279.58 915.87 938.42 1146.61 949.68 1779.31 550.62 635.31 3667.5 592.63 3883.71 454.32 1356.49 1513.66 2181.88 652.19 816.64 1395 10450.44 447.89 930.49 1082.21 1032.49 1110.99 1430.76 1162.45 656.1 1296.57 1667.18 594.68 332.04 787.74 1056.05 670.17 1367.23 989.52 1603.76 1106.32 1229.01 1361.74 1302.78 1215.82 1145.8 (2S)-2-amino-5-(1-aminobutylideneamino)pentanoic acid 3903.12 3986 9826.9 3806.54 6431.27 4540.52 4944.73 2200.38 8810.89 3515.28 1979.11 3566.4 4464.63 5140.19 6253.63 2537.74 9663.12 2237.01 2609.09 5459.15 1920.82 4550.6 2550.07 4921.45 5410.27 5816.43 3444.4 5688.15 5422.31 2962.5 9583.94 2550.41 2476.16 2797.43 6468.7 4661.92 3469.4 4167.43 5658.04 4144.28 11744.22 11449.29 7728.2 6871.77 10087.24 2666.47 2844.03 1577.14 4945.99 4675.36 6573.75 3775.67 3693.69 2381.41 4771.64 4266.94 3120.54 9261.18 4612.54 4634.5 2019.23 4976.44 8956.34 5434.7 4740.1 3376.49 3028.95 3862.24 4279.39 3209.51 3253.8 3340.27 2869.04 5377.63 3009.35 5023.45 10456.75 5845.09 4669.04 4942.17 4661.79 5527.93 4970.6 5547.91 4452.31 4955.19 1291.7 5359.27 4611.76 4732.34 3293.22 4466.33 4467.99 2810.85 4670.55 4954.7 5217.52 4891.35 4766.92 5029.81 6440.63 5871.46 6050.25 6435.87 5945.82 6599.96 5690.5 6431.37 6448.87 Hoiamide C 6488.98 7140.54 5605.54 8050.04 10571.61 8452.06 4605.62 8011.71 9819.86 3173.85 6627.97 7152.82 10561.71 8660.37 6172.6 8648.08 9450.44 15786.18 12166.98 6628.32 10710.52 6781.18 2943.54 6552.54 7572.49 10982.22 4236.31 5380.08 7727.46 8896.67 12703.58 20540.99 6638.02 5000.3 8082.2 10005.66 7266.35 3262.18 1901.62 9124.4 16501.83 9006.62 6698.22 5808.85 6884.84 874.77 11881.42 5569.67 6049.42 20563.26 4418.46 9821.44 7949.75 13706.05 1977.51 13184.4 8470.19 8532.83 5195.7 6967.74 7871.74 1798.34 10807.51 6654.2 6552.76 11299.78 12122.4 7761.31 11773.36 6939.44 7405.29 5746.1 8427.32 9036.29 9999.96 11031.32 11335.81 11588.18 11006.02 11006.75 11030.55 11360.46 11351.08 11047.63 Prostaglandin A2-biotin 5424.73 3161.11 2078.84 4228.02 2601.55 5133.41 3347.71 3390.36 5774.44 3175.72 6797.06 3000.19 3058.21 2054.5 5188.74 3932.73 2284.77 3837.57 2162.75 8028.17 5807.98 5460.09 2463.19 1985.13 3257.89 5219.62 2173.57 11054.99 1824.99 3164.78 5645.45 2491.01 3697.22 2896.32 1880.22 1389.36 9466.03 1522.99 4043.38 2706.76 4118.08 7273.27 1573.67 2723.94 2585.53 5652.17 2875.37 3964.86 3966.56 4743.37 7793.77 4709.43 3398.88 9206.91 4543.52 6502.85 7228.66 2441.96 3949.27 5510.95 4223.58 1833.14 4520.72 4623.21 4099.37 5870.35 5353.76 3222 2858.85 4990.86 3655.69 5298.28 4297.62 5025.05 6088.96 6299.12 5920.95 4992.77 3996.32 5335.54 4663.9 5023.39 5477.84 5457.72 (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid 1502.24 2726.36 1550.15 567.69 2450.89 4490.7 1927.97 3860.95 2605.99 2534.03 2464.54 5681.61 3017.08 3806.27 1205.82 5479.16 926.79 6099.12 5951.41 1356.94 1209.13 2239.06 546.63 1439.18 3084.6 921.19 2080.99 2945.41 3511.87 1985.76 4534.51 11367.29 1126.1 1595.57 1463.88 4409.58 2768.07 2442.03 5121.11 754.53 3914.59 6671.87 1497.8 2223.05 5348.15 3056.38 8334.93 5054.77 3329.07 7048.98 1945.7 2968.75 5839.35 4485 2495.51 1676.76 305.2 1534.92 1232.72 1612.04 1357.56 411.74 1286.8 746.34 503.17 2775.31 2471.21 2438.31 3316.2 1464.57 2470.99 1936.65 2672.75 3403 1401.89 4445.92 3847.41 4263.6 4227.12 3855.62 4168.09 3840.97 4162.25 3837.41 ThioFluor 623 26373.08 20611.96 5472.5 5225.39 22350.39 17151.31 11720.27 36304.4 38906.39 17622.96 10661.68 10712.73 8420.87 8277.53 29034.64 17246.76 10555.98 25240.02 13284.2 43620.7 29009.32 6063.26 4134.95 8662.39 26497.24 23091.4 10337.66 16045.37 35402.63 12079.4 33840.94 11343.94 17623.3 5073.28 6700.18 22682 32984.45 17071.7 10213.03 14652.59 24962.18 26078.31 9537.94 8960 28231.93 4781.76 40513.22 19109.59 9430.82 23879.28 15665.87 13463.47 7702.63 7812.11 20482.19 15343.25 4567.94 4778.13 26632.48 5436.81 8916.15 7246.72 16453.67 12622.16 15168 20124.83 29249.02 11336.91 18780.77 33460.39 36877.6 14027.1 24056.87 9760.69 12536.08 20475.35 20465.52 21069.36 20181.53 20471.79 20359.86 20186.82 20180.06 20472.29 Cys-Thr-Ser 976.98 3322.66 5813.83 415.96 4742.4 4560.16 8574.97 3008.47 4015.68 11888.84 4578.87 2966.45 6074.05 3093.49 9773.51 5900.7 3748.5 12479.47 7795.61 5452.23 4692.31 9066.44 5069.4 5584.92 6592.42 25393.23 6651.58 12215.83 22304.64 2845.95 2804.5 6642.73 7269.4 7120.63 3490.4 7849.51 2079.45 6299.95 6577.47 5925.71 58518.26 2068.6 4288.39 2810.4 12432.83 2854.53 13698.43 4375.32 2630.02 20381.02 480.75 1784.89 327.31 2497.74 4074.74 2321.55 434.34 4127.58 1967.57 8322.28 2129.35 1383.17 4612.16 3764.86 4489.46 3823.41 6784.37 2852.31 824.68 5646.99 10591.52 13407.9 28468.77 2427.43 4824.44 8958.41 8193.54 8200.65 8096.02 8352.47 8187.06 7794.35 8187.06 8357.15 2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid 47.06 13.9 2.28 2.46 40.88 2.28 169.07 2.2 37.17 10.3 2.34 2.29 2.28 2.28 17.37 11.78 2.66 2.51 2.28 46.56 2.25 17.18 28.79 2.32 2.27 2.28 2.25 2.29 13.87 2.28 2.29 33.79 2.28 14.08 30.18 2.28 52.6 2.28 2.25 33.7 384.57 27.13 2.29 2.68 2.33 167.34 11.85 2.28 2.28 17.2 35.48 32 2.27 2.26 18.99 13.07 2.43 2.58 2.32 2.32 15.48 2.28 22.23 2.28 2.31 35.95 20.77 2.28 2.28 2.22 2.28 11.49 24.47 2.28 2.28 104.48 63.24 104.46 103.86 103.61 97.79 104.7 95.08 97.54 palmyramide A 31465.28 1147.79 8367.77 551.03 15476.12 7647.87 33685.21 29839.24 40814.34 34154.69 12092.15 5709.54 1070.16 6545.14 1054.9 5628.91 7967.9 481.49 7443.73 1764.53 26538.94 6222.2 440.55 10205.91 433.78 7710.66 5517.66 7882.38 11657.72 6557.01 528.63 26248.25 1011.93 33944.38 20314.63 9808.01 28399.99 27496.08 21396.81 17057.17 51781.98 33721.1 17495.84 14392.65 35938.6 21693.17 9211.57 13062.08 2648.27 1275.29 25572.91 29631.53 16404.4 21135.88 20954.86 25421.75 14036.87 11017.01 23716.56 22159.86 15262.38 18730.37 23431.53 21536.35 13894.33 30335.89 43282.68 16523.92 15814.83 26729.18 28026.2 31664.03 19586.98 20536.55 22669.11 26074.94 25989.72 26057.72 25778.92 26071.41 26059.15 25448.71 25774.48 26068.37 Ser-Pro-Asn 6057.5 23004.97 10154.38 12272.28 3172.57 19991.42 4082.11 11859.37 1718.63 6630.39 1087.78 8664.45 6594.16 9183.75 15410.1 2390.24 8448.83 9338.41 19521.15 22071.53 4704.9 16575.57 11626.65 8004.27 1165.16 1924.4 1823.95 7183.95 13102.82 7891.04 1438.12 8389.81 10165.89 13319.62 11888.59 942.13 15422.1 1697.74 8346.41 5365.47 7271.57 7568.49 22609.91 557.56 2066.65 1906.88 28259.46 24691.09 9051.07 3249.52 6268.05 24080.34 17653.25 8035.08 18214.27 16897.33 8753.23 8448.8 9518.97 7463.13 1031.13 13032.6 13100.09 13516.55 13856.23 1393.71 20472.73 1614.75 2208 3658.53 13664.14 10414.77 8813.51 13177.37 5199.93 10285.62 10287.13 10292.41 10084.21 10304.39 10292.54 9699.61 10092.5 10116.17 Dibutyl adipate 8588.33 5959.28 7185.5 1470.2 3485.18 1584.49 2347.3 2640.06 8479.62 10941.12 2979.09 14715.98 13749.92 13478.22 9056.69 5581.37 1263.83 4622.85 2749.44 5944.91 13531.42 10135.98 4947.12 19677.62 9178.59 3311.32 11200.76 15320.72 4260.41 2215.32 6572.16 5346.9 2126.01 11229.66 2581.21 4381.73 5160.19 4850.69 5469.41 5832.95 1704.06 9641.85 5409.33 23345.21 6664.57 5153.46 3306.98 5062.27 1441.55 7720.38 6417.1 6719.48 10477.78 4795.78 2702.04 5747.77 9386.55 3207.91 1730.13 13543.57 6312.97 10186.63 15922.18 7484.69 4464.05 25666.56 17343.42 11520.36 8805.14 4274.13 3954.28 23707.87 3519.95 3552.21 11772.53 3078.72 3660.3 3684.65 3025.69 3549.79 3585.59 4508.72 3369.31 3626.77 trans-Resveratrol 4'-O-glucuronide 2159.98 17170.64 8145.24 1249.72 1782.56 625.01 2203.49 5405.79 14224.13 9494.57 9134.02 1190.74 3304.05 2228.59 9077.44 10865.75 7775.51 6228.13 12028.39 1314.04 1971.76 944.22 1849.81 7875.35 2862.53 4510.72 1186.65 1891.94 1191.63 578.6 1149.09 10434.1 692.62 2317.78 6577.88 5894.02 15737.27 5397.66 5460.82 23145.36 1991.28 4734.72 5025.51 5419.6 5485.78 3543.97 5401.84 646.19 3091.43 9417.78 6490.74 9441.02 4216.68 10023.76 10192.86 12414.81 10963.96 8112.2 4039.61 1633.94 3417.78 2634.02 12940.56 16540.71 9537.1 17684.91 8358.37 8138.98 11063.28 10574.02 14842.63 12305.52 9220.85 10989.01 12292.54 7873.03 8683.04 8038.45 8954.13 9114.91 8693.03 8674.55 11274.7 7596.44 Asp-Ser-Gly 17760.75 20406.12 26990.48 15925.85 20705.36 29029 25346.67 31089.45 35819.27 34315.47 42292.35 51555.74 30113.18 28503.16 23228.48 55095.44 37291.32 22835.2 61398.91 33939.27 27014.33 19462.39 28044.75 32632.67 21840.61 25493.25 36932.87 35741.54 27056.26 29742.24 29870.84 66398.31 14057.82 26657.94 33583.01 23210.86 20947.27 21544.15 27361.61 28684.13 28556.66 34076.32 38759.37 27173.46 25712.21 19507.81 29448.21 49570.57 33037.08 72334.51 18914.5 21472.8 30012.6 37239 15496.27 20412.79 18791.31 19730.96 22727.56 9127.2 25864.84 25794.26 19059.19 31994.22 32547.41 22818.67 29038.57 34217.47 32505.63 23425.23 21586.94 37234.43 32927.54 35799.29 32502.44 33211.61 30966.04 31612.88 30879.75 30948.16 30767.73 31254.56 31870.75 31659.11 Lys-Gly 45759.64 61097.86 145004 109992.02 44784.79 1705.91 58676.05 41912.63 34991.57 38287.59 62660.61 45743.94 37222.99 57550.7 60510.12 67463 48453.66 52203.9 31603.14 35410.95 20398.57 7850.93 43609.67 69861.43 43489.73 36042.51 43882.07 46484.63 32541.65 17232.54 58789.32 29321.89 9185.91 100037.9 107125.55 42861.09 52454.47 24473.38 53663.58 84175.57 14182.83 24993.32 76827.93 73386.01 40348.76 54081.87 41002.53 44939.23 31642.79 27909.33 46610.48 57974.33 77714.82 89200.2 54654.35 72530.96 143745.77 104646.89 25919.9 45140.74 58529.14 74930.98 87906.8 142701.42 67593.4 72365.71 48203.06 49772.52 65811.77 46646.18 28719.9 42909.58 93404.07 115233.22 98048.41 57748.15 57806.02 57021.31 58810.99 54213.12 57745.2 56461.42 57790.79 56871.83 Antanapeptin B 1246.08 956.61 932.69 2883.14 1020.99 2193.78 3533.47 2722.89 1383.26 467.22 2684.28 2003.74 1065.5 1169.55 689.92 473.36 308.71 394.96 2108.2 772.99 508.9 672.18 616.33 704.42 944.37 1708.76 717.52 462.97 500.39 275.97 1100.17 1570.58 1342.53 270.35 724.9 636.59 1724.67 1446.14 659.51 891.22 3025.61 442.6 1191.97 1184.31 763.66 1142 697.13 1082.44 28872.69 8030.27 5835.82 3693.07 1810.9 2807.55 6122.28 1467.94 3223.44 2469.4 3954.02 5741.92 718.63 3662.05 2727.62 751.56 1131.92 2606.69 1047.07 1333.91 1942.95 2138.56 1742.12 908.9 17480.72 44887.3 15273.22 4400.74 9852.07 3326.73 3507.74 4330.46 3066.27 5369.6 2953.17 5730.8 4773.79 5804.88 3555.03 5839.3 5739.2 6039.97 4721.4 4526.25 6120.62 4702.42 4906.5 5993.16 5163.4 3815.92 5438.03 5494.63 3568.35 3446.86 3853.52 3346.67 3300.58 3588.2 3014.9 3473.01 3638.01 Glu-Gln-Gly 1389.94 1456.97 826.17 1384.03 2058.29 2641.72 81.08 1110.48 1385.97 1337.2 1548.97 1414.41 656.44 1791.18 1945.19 1913.06 1368.98 701.3 2183.89 674.27 631.53 8685.3 764.12 1130.67 1359.93 818.62 1005.44 1046.26 619.83 502.25 5102.52 2564.76 1123.96 641.42 342.37 586.28 269.02 609.87 290.68 365.38 4255.79 2594.02 367.98 339.62 1029.22 118.04 319.74 135.97 274 8949.14 2453.82 331.23 301.47 602.25 89.78 373.08 92.61 183.78 227.25 1144.06 518.97 251.02 347.17 233.87 311.85 131.4 826.33 315.23 410.87 877.88 739.26 239.21 429.43 323.81 284.03 5750.28 6289.22 6034.81 6357.43 6333.3 6377.16 7126.13 6292.04 6367 2,3-Dihydroxypropyl 9,11,15-trihydroxyprosta-5,13-dien-1-oate 1819.98 9082.82 35527.04 5255.96 11100.16 10651.48 11571.21 4163.97 8772.68 6914.56 9098.71 13723.49 3375.39 11428.6 10562.36 110812.06 18857.5 758.76 4077.42 9445.84 2546.69 10691.2 7052.73 7714.7 4578.07 6619.2 2758.83 9282.33 3416.18 3129.93 2949.51 923.93 7507.77 10784.98 9963.92 8189.24 4235.79 11915.94 7851.15 10639.8 3072.79 4199.47 9496.48 9516.08 6210.19 6214.85 6108.62 9305.96 4157.51 11408.78 8690.73 13426.75 17612.72 13812.36 5476.33 8448.1 96729.04 10479.63 5481.24 14361.76 7743.95 9765.05 10548.68 17446.52 6505.66 11293.3 14261.49 7857.29 2481.25 4876.14 8540.33 6808.68 8899.27 34561.95 7241.66 11500.34 9992.27 10314.18 10125.5 9475.11 9992.87 9974.42 10461.66 10050.65 Trp-Glu-Tyr 345.94 3093.75 7665.6 7066.96 18432.64 352.85 374.26 1835.48 1822.79 911.74 5589.78 3004.12 6191.84 649.83 7375.2 5507.03 10700.01 8252.37 960.19 2565.16 1542.75 1151.18 4115.72 5192.47 399.91 353.29 4181.6 4241.59 576.89 3160.43 2026.93 1128.37 661.24 8724.7 10587.08 1443.37 3316.32 2006.44 4255.97 9222.08 2895.81 1880.69 9549.97 2058.85 2775.43 27113.38 2667.4 8365.77 3083.12 3335.85 922.48 2875.13 8300.39 16740.67 3733.93 5419.39 6436.62 19740.89 3890.79 14160.03 7574.51 1757.29 8588.9 22281.09 22869.07 3910.98 3600.78 933.3 4744.92 5155.81 7081.95 2418.85 9415.55 26066.05 11475.3 6830.04 7216.4 6854.9 6902.25 6632.26 5939 6536.85 6305.92 6798.04 Met-Val-Lys 3553.87 4190.27 3984.29 6531.65 93324.76 101032.93 69838.7 7309.51 6590.11 7073.78 2975.71 1147.33 4384.62 3063.47 3051.92 593.74 9917.65 2133.88 3083.02 2429.26 1623.75 5014.25 4127.52 9302.83 1452.73 3103.49 3413.84 3561.94 2569.64 7416.58 2080.44 2198.08 2081.76 11263.59 7895.61 6774.83 8458.51 939.92 15361.71 3411.01 2126.07 4610.41 16228.02 856.49 3543.85 3393.4 7948.6 8538.95 2928.92 4658.59 4164.69 10580.19 10292.18 5285.71 7645.1 6777.63 11279.11 7093.95 4820.06 6067.08 9822.25 7743.68 4385.93 12005.62 8147.45 6722.23 1396.08 4173.7 2683.87 6037.69 2663.64 5903.06 7710.65 5411.27 6966.93 4998.82 4947.37 4222.74 4954.82 4575.38 4921.14 4185.35 4618.64 4524.69 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 8675.29 8305.79 829.89 11018.35 84284.09 80342.07 56596.97 7500.1 10717.27 2806.91 4156.76 8520.16 16801.88 8104.28 7979.26 993.41 4150.39 5688.96 5372.3 2515.33 8279.73 7219.52 725.55 1174.75 1418.49 12632.9 6420.64 14748.13 11638.36 649.62 4861.58 4836.05 5544.98 3490.99 11142.3 4914.11 6132.32 1203.36 4907.69 7987.08 31027 9885.33 3764.78 7316.92 4117.75 24660.68 4448.81 9143.85 1161.44 5265.13 8958.71 4864.21 1477.68 8373.28 10380.63 3522.5 4574.9 4059.5 7385.33 2147.99 1133.01 4611.49 2105.74 2916.02 3245.3 8784.41 10377.72 7322.03 11653.38 6135.45 7033.11 4752.08 4503.21 6689.53 11763.45 3681.27 1492.41 4133.42 4740.04 3752.92 4398.23 5089.27 3145.27 3024.17 4618.72 1725.61 2437.68 2960.98 2408.25 2571.0 2332.15 3632.72 2206.18 2528.16 3038.55 2376.56 2981.14 2642.05 2954.2 2254.56 11109.98 9617.54 9953.99 10801.3 10879.37 13227.35 10414.42 9818.95 8665.33 Ala-Lys-Asn 3257.77 2681.91 1323.01 830.15 6408.27 1171 3489.43 12761.01 13990.52 7576.6 2931.52 20650.84 19064.38 13550.06 14039.24 4670.66 5346.42 28290.06 19831.29 27666.69 8350.75 38470.89 4456.41 647.46 7975 9726.2 2991.84 5620.68 20355.72 9889.63 17378.71 16901.41 9286.83 10432.96 3607.98 15049.98 10728.6 4976.39 4618.26 3465.06 28094.26 7255.06 4230.52 5366.15 20206.56 5957.74 27283.63 19140.1 7627.27 28495.84 8798.89 5591.07 1564.97 6767.69 7932.86 6697.01 744.34 2007.76 11401.75 5507.47 1936.75 969.1 7041.07 2514.71 5025.11 11184.45 11761.17 4409.22 3752.09 8023.21 10055.6 6432.39 2776.15 2522.89 2581.25 9106.58 10008.37 9249.38 9903.5 9877.39 9373.08 5783.44 9216.77 9687.84 2-Phenylethynesulfonamide 5245.01 10699.25 9728.62 11539.3 5422.14 6080.93 13168.42 7261.27 4188.81 12243.34 9724.79 10609.8 12782.61 14195.55 8633.39 7829.46 8143.1 6268.43 12096.99 3168.66 2523.14 9423.22 13003.95 15590.99 7810.24 3622.85 14691.56 11298.27 8111.05 2686.96 3216.33 6418.75 7605.33 10586.15 12479.4 9303.23 6054.11 7789.79 14997.29 13077.41 3743.37 5853.67 14509.13 10468.66 5362.06 8818.7 5167.64 14549.33 9675.08 5676.15 5219.59 9488.15 12594.09 11081.49 7592.2 8019.27 6989.18 9584.01 4952.61 6879.08 14987.66 17381.82 6606.44 8499.81 9109.76 8769.61 3338.24 12040.81 10020.2 5239.13 4418.17 10717.92 7098.51 9571.78 11147.94 3618.48 1018.94 3523.51 2280.69 4756.71 3246.13 2337.77 2592.61 2963.94 2956.18 1428.39 2824.12 2773.3 2936.7 3716.34 1132.08 2115.01 1923.18 1310.07 6748.15 2977.14 2787.08 4684.89 1536.12 4476.63 8188.38 8231.21 8199.68 8199.24 8200.18 8151.46 8152.52 8151.43 8178.25 Norclozapine 1798.3 827.69 747.99 585.64 7395.36 2790.41 380.9 3236.94 518.28 1912.66 675.9 1391.54 517.38 423.06 2551.64 1733.39 3635.29 887.95 4132.24 2320.28 2306.74 937.5 1235.54 3414.5 3510.34 1986.1 1921.72 2359.16 3947.11 6112.26 2276.38 3890.87 3011.44 786.47 1129.3 4350.36 4767.59 448.08 2859.06 2786.58 562.7 3536.44 1585.83 8407.58 1939.28 1493.91 1513.57 1593.04 8404.94 1651.93 1811.71 910.79 597.78 1382.3 586.99 614.07 527.45 1132.65 3545.72 719.32 816.51 744.41 2011.79 753.76 509.24 1344.59 2693.44 1441.99 481.49 409.33 673.24 1321.27 1340.42 5067.84 5305.45 1667.8 2209.51 2270.1 1906.63 2070.29 2939.89 1698.13 1996.7 2204.29 Hexazinone 2176.94 5070.52 709.95 2228.61 10130.43 901.51 4914.81 4863.33 2755.68 599.21 479.09 2262.56 2587.79 459.35 12177.82 7719.49 3528.34 11238.42 4897.1 6947.9 6386.32 2676.06 459.55 3175.65 4752.81 1676.32 2565.61 927.81 4609.72 1248.8 9693.12 5037.56 1678.05 1796.72 1934.76 4760.91 4571.1 1846.41 1379.2 2168.87 23031.22 9741.92 2746.96 1637.18 4951.74 1334.54 11092.11 3878.9 1882.4 3779.59 629.26 1316.63 546.26 2197.39 11498.48 7745.59 1883.95 2906.22 5504.54 2153.22 3456.29 470.21 4212.83 1377.67 1962.41 8468.08 2811.69 2252.36 8944.14 7603.77 1757.49 4861.87 496.95 3550.26 2134.81 4972.92 5013.59 4966.58 5007.59 4957.36 5129.36 4968.6 5014.77 5002.79 Pro-Asn-Met 24347.41 30922.73 26895.79 20601.49 5507.3 19774.22 11804.25 22995.15 17619.53 27431.46 23265.89 13179.56 8315.14 20692.31 19576.59 9691.54 16977.27 26614.37 20293.61 16831.68 19615.88 12049.54 17003.47 24102.39 19336.51 27408.02 26396.68 27861.88 18436.99 27581.4 24442.68 18276.13 15644.55 31457.1 22184.21 22537.84 27268.63 32770.27 34391.05 28389.5 13597.35 16390.75 28008.14 24565.83 16955.92 16421.02 19042.89 21780.87 7525.56 17731.83 18335.59 28173.35 32297.96 23057.99 18152.66 25359.26 21233.38 37740.98 26711.46 20791.92 28014.34 27463.26 19228.57 25867.65 37049.44 20346.19 27998.22 28175.58 22925.27 16967.03 26676.14 28923.39 14969.17 18974.88 17818.8 18789.52 19540.75 19748.39 19748.82 19530.71 20051.49 19526.52 19662.4 19717.01 Pro-Ile-Gln 1976.08 1583.67 1072.66 974.85 2984.02 2811.56 1030.14 2040.62 2598.45 1617.41 2952.66 1260.16 2337.98 788.71 1266.41 2483.43 1746.46 2840.87 2546.57 3935.2 1464.38 3241.27 2293.61 3710.13 2248.76 8934.32 1609.95 1771.23 1603.57 6121.13 7314.84 7033.76 1652.52 549.99 1860.59 2465.9 1830.04 1718.38 1550.21 3828.28 1218.84 2987.96 750.22 846.85 4163.3 2033.42 1837.07 3555.71 1995.31 1575.53 1794.62 689.1 2469.53 1345.75 571.25 4821.38 1164.72 513.74 3848.13 1503.85 969.71 4054.12 1738.83 1253.95 1076.29 1724.44 1382.53 1023.07 2250.44 3147.93 2335.72 1321.21 1947.95 1832.85 437.76 1930.27 1867.17 1941.19 2059.08 2082.68 2112.91 1798.51 1846.88 2098.81 Terbutryn 15510.32 17847.9 6243.21 1455.15 8552.96 6948.91 993.71 17695.18 16092.96 12428.29 8949.09 11648.94 4947.08 8477.19 19448.78 14176.34 6118.88 15089.99 27720.71 21260.37 19713.18 8343.48 8692.54 13044.63 19752.58 12434.78 11452.82 11853.53 24196.02 8875.18 13740.55 28504.2 17140.95 11012.1 12774.12 22109.31 15260.07 18440.42 7649.16 9441.39 12194.44 25044.64 13682.56 5134.85 20223.02 1240.07 12918.32 28778.99 10210.08 16488.69 15392.01 17529.1 8954.27 3199.13 10879.91 20422.52 5988.97 3588.72 16425.53 3917.41 4878.65 5885.31 2122.38 7837.9 6954.64 21516 22985.68 15805.01 11278.15 18216.97 11932.43 13351.84 3611.41 5882.97 4485.78 10642.63 11005.55 11007.63 10920.81 11024.1 8747.5 11006.78 10675.75 10690.66 7-(6-Oct-1-enyl-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl)hept-5-enoic acid 158.75 5742.4 58.84 18359.56 230213.09 200969.22 255875.01 1678.17 3254.18 4320.43 119.91 1598.57 8185.26 180.87 106.26 2062.35 204.8 320.52 65.54 301.73 53.06 9045.25 42.98 259.27 575.14 6793.51 1207.31 95.42 52.94 59.6 77.95 275.49 3932.38 57.7 103.78 8313.13 5142.63 2409.11 587.74 7985.78 39747.06 577.15 108.78 72.49 44.88 5061.8 6968.03 8079.4 7312.04 193.69 260.53 79.38 6143.44 316.94 7503.43 5704.66 106.08 93.11 257.75 3072.45 44.71 1509.45 394.19 50.81 6300.84 681.8 47.94 7485.73 6361.76 45.76 3543.64 3973.73 61.7 118.69 266.98 16163.33 16147.04 16123.58 16099.18 16099.64 16099.23 16144.89 16234.48 16163.86 Asn-Ala-Thr 5743.26 1690.1 5403.68 9204.72 8135.43 3742.69 12880.56 10134.83 7189.68 9230.52 9061.18 4385.71 17217.46 5152.04 5741.34 11142.65 6498.37 2991.33 12632.78 6247.87 6732.46 1074.88 5483.38 6835.58 3222.91 10981.57 6151.32 12023.34 10312.24 9606.05 5510.59 17068.35 6368.61 10292.21 12586.59 8259.45 6186.56 4989.32 8563.12 8636.88 7343.81 5849.34 6437.5 5022.08 8219.33 9156.44 7480.35 11846.19 6975 21139.86 6318.02 4802.47 14265.55 14387.42 5109.53 7380.18 7514.65 4986.87 6825.08 5429.18 8297.15 8805.62 3832.23 14193.41 11625.67 7192.3 7950.58 6235.15 9099.77 6567.53 8592.15 8521.75 9170.84 8342.1 9014.68 9372.64 10031.34 9857.31 9277.43 10614.08 9001.58 9378.89 9139.61 6975.35 Asparagylhistidine 1044.99 1240.95 1464.7 1379.32 507.91 1660.3 3464.38 1316.93 815.81 4954.23 1192.39 943.01 2967.1 1824.16 1731.7 636.87 639.61 1604.12 1742.83 2365.21 1304.05 2037.7 1010.76 683.45 1433.14 2010.85 1024.07 1344.25 1451.56 837.95 1072.09 2029.96 800.07 393.58 1486.05 4325.44 1048.84 4953.97 1764.1 1778.46 2984.17 496.62 1620.4 1434.53 1492.36 1445.58 2169.75 1399.01 877.27 1865.63 1227.68 757.89 1587.24 1727.5 2613.32 1343.52 2503.61 1385.36 2429.86 6379.75 639.6 1058.9 2842.15 831.78 810.13 1013.06 4088.39 2312.06 1541.33 679.6 1478.7 3214.95 939.54 1041.63 4591.62 2062.78 2181.88 2008.34 1790.21 2161.65 2196.21 2126.58 2219.37 2238.35 1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine 1832.23 3916.81 778.72 2696.19 1958.13 5780.4 3298.83 2921.36 4112.52 4136.05 2120.39 4221.52 1226.91 807.84 1389.54 3853.96 847.96 358.04 3678.51 1727.3 5811.27 2725.15 1350.56 2400.5 7167.16 1670.91 2704.72 2483.94 1058.2 3075.99 3738.28 5385.04 369.29 6677.28 3013.21 5519.45 3325.65 2005.29 2451.17 3087.06 6690.84 10519.29 4320.3 2493.43 8838.08 7678.54 7487.76 6707.02 3263.74 11563.05 3344.74 3565.6 4217.83 6513.56 4978.38 7201.16 2646.94 2412.99 2952.8 2030.4 3093.13 1830.52 4910.42 4983.44 2701.12 5983.18 8530.23 2793.8 3681.09 4380.54 4123.64 5432.44 4841.63 7792.73 7108.09 29973.47 10787.01 2378.97 7166.41 20358.89 67990.94 76250.51 68236.09 25553.89 111950.35 106831.53 76908.76 104689.42 44732.87 33197.35 51654.1 67606.02 79404.4 66660.03 51111.0 67205.88 136208.71 6067.12 6070.91 6150.69 6217.71 6033.96 6137.19 6154.66 6106.16 6066.56 Tiopronin 103024.36 110257.25 78484.31 80566.41 49508.61 94600.64 70069.4 92176.48 89805.02 13295.36 82122.13 80469.74 84028.73 92793.61 88522.35 103846.35 112013.9 108909.46 32439.25 46793.38 36677.75 78250.95 83461.43 96331.79 92656.21 91981.91 99074.91 55241.53 102408.9 92547.87 98623.36 86707.74 52484.22 77067.68 81991.41 92212.36 95231.58 97614.62 77707.11 97374.15 115087.81 100704.63 93130.96 73833.59 99523.21 85225.25 96842.8 86003.26 82111.81 68680.21 64487.95 62871.03 92267.66 67976.68 62432.54 24608.09 81579.25 84440.54 85727.73 80452.05 87207.64 61770.91 62326.04 81151.93 85327.39 64140.93 62236.16 60230.3 64129.77 69066.02 59742.95 55153.81 59436.46 57835.13 52197.25 65213.57 65919.92 69871.12 71682.15 67707.14 75865.06 71387.59 71945.07 71396.29 74221.5 69738.29 71706.59 71315.12 70656.46 66469.93 67897.93 65732.32 54181.42 66510.43 55359.62 66480.95 70079.1 57160.69 67251.82 70477.39 67571.11 69501.83 69446.93 65994.4 64377.16 66445.55 69460.72 69508.45 71298.4 CerP(d18:0/16:0) 4170.73 260.55 4159.08 22621.4 2559.95 5897.97 3474.01 1381.51 879.25 4381.67 1383.38 1075.4 6156.29 2378.13 2624.76 7007.66 2288.18 2776.67 3128.25 299.69 1965.61 2663.49 2746.33 1746.05 3299.17 2231.35 2131.67 1772.26 2496.43 3766.38 409.89 26625.31 4113.41 1873.47 5802.03 670.25 1902.88 1523.8 813.75 1367.22 6306.46 16770.69 1498.2 1188.66 1953.16 143466.91 3196.15 318.06 1367.61 702.72 924.48 1483.42 2195.05 2316.63 1873 654.71 657.17 1234.32 3056.23 371.55 1533.65 871.92 1973.91 987 1669.26 11899.64 952.23 170.64 1792.35 919.61 457.66 2012.12 1306.2 8498.44 6317.42 6404.52 6860.6 6870.96 7096.69 7032.39 7168.46 7116.4 6946.41 6935.75 Met-Ser-Ala 23959.47 17223 13337.6 8974.67 17550.67 14929.16 17700.03 23610.52 17569.97 16137.29 15727.59 17874.02 4262.13 9039.72 25838.35 4105.01 4553.4 16236.78 7360.59 25365.56 17841.78 57684.08 4062.59 15092.59 26444.3 24892.39 13460.13 687.06 20635.57 1373.73 23191.95 6707.65 12654.23 9689.94 9985.71 2587.9 27573.04 24945.53 10971.41 10590.83 7720.46 10144.47 4323.42 16196.55 21289.88 17567.8 6106.7 9852.08 8272.64 12288.2 15179.71 30011.94 5424.66 7500.78 16343.49 5982.96 8225.84 11407.12 8658.54 14766.42 11534.79 3452.03 6921.53 12673.64 995.18 7684.4 27955.96 5606.17 13471.63 10399.59 5212.95 9505.99 8163.7 3002.48 18987.52 12510 13128.08 13743.66 12239.97 12606.14 13142.93 13134.79 12401.99 11803.91 Glu-Val-Tyr-Asp 673.74 258.21 2304.98 52815.42 2344.41 3169.44 3247.74 2628.27 1208.42 1674.5 2745.97 564.01 39357.56 567.51 1988.13 11568.89 2164.95 1286.62 662.4 1816.55 1352.33 1529.82 2964.91 299.16 1152.72 339.46 2718.74 721.58 366.45 730.03 232.78 7459.49 1066.74 1296.72 34136.88 829.64 2799.17 1989.57 1055.31 295.01 3470.48 500.66 1557.99 367.67 576.24 73922.97 1827.78 335.1 1272.06 536.22 402.05 3910.13 542.47 1234.25 2399.67 2332.3 6455.24 272.65 1473.43 747.39 2456.68 949.95 3854.22 2695.33 1178.4 2958.32 3062.08 4070.48 2125.16 257.56 1435.17 1681.58 235.53 24849.64 5798.68 3963.04 3272.65 3669.1 4039.19 3636.26 3242.32 3844.98 3300.66 3272.67 p-Hydroxy rosiglitazone 448.22 486.6 810.51 496.66 570.83 8807.58 351.06 1068.15 1495.93 4765.74 688.46 335.81 345.19 433.84 407.51 414.49 581.12 736.25 1734.77 639.92 1304.57 6514.03 902.24 320.84 728.64 7484.24 445.85 316.48 433.57 342.35 485.86 1118.44 1442.18 633.3 1366.99 291.73 1767.28 7879.48 1583.34 917.14 8829.44 869.74 326.62 915.29 2124.58 400.28 278.47 2002.77 2354.45 3298.39 1005.08 1675.39 1846.06 1323.95 459.39 1310.03 1193.94 477.4 1798.37 7835.92 1394.59 1313.61 1446.78 1415.48 797.6 1118.12 2133.19 1062.72 570.5 409.13 1947.09 6146.87 1541.3 1174.58 1476.59 15914.94 19804.65 19928.55 14949.14 14680.48 16927.51 15995.54 15740.13 17772.9 15130.33 11593.25 13334.05 16815.57 13069.91 10089.33 14004.46 14486.85 15804.23 18112.66 29502.65 32722.94 28250.6 37543.04 35661.62 34745.84 2055.88 2221.45 2214.82 2096.25 2233.6 2265.48 2229.68 2116.09 1379.96 Glu-Pro-Leu 7460.69 5439.89 2130.02 487.84 9909.96 1485.78 2911.27 15110.66 12819.16 4944.45 4143.98 5563.1 5665.25 1203.31 3641.69 2608.89 1231.71 2261.4 6258.81 2158.49 10603.51 4163.67 2897.99 5503.98 10276.73 10624.43 5346.39 6226.07 8364.4 5066.18 4852.82 8466.14 2042.27 3353.63 1063.73 7876.39 10611.15 7208.87 669.61 4148.84 6714.67 10798.78 1097.35 5098.59 2809.68 2190.12 9312.2 3063.36 4701.5 2073.69 11502.78 7274.6 3791.99 6035.59 8081.75 2799.64 1437.52 2152.54 7917.8 1564.17 1213.31 5805.8 4624.74 494.69 1165.61 9518.59 6412.72 3483.89 4854.23 8764.68 7948.55 5940.01 3363.26 2566.3 2699.92 4991.84 6051.02 5700.29 5839.4 3266.47 5770.54 5400.14 5545.26 5859.04 PC(P-18:0/20:4(5Z,8Z,11Z,14Z)) 884.68 1399.28 1387.71 331.99 1179.01 799.83 2538.15 533.21 802.86 786.94 422.86 399.87 746.13 1123.09 537.97 947.85 549.73 179.47 1211.29 361.2 801.78 277.15 589.36 373.42 506.11 511.92 595.11 562.8 1177.22 729.94 447.72 245.1 441.13 4919.88 7745.49 3444.95 2954.9 1542.01 1637.25 4188.88 1322.11 2578.21 1909.85 3192.73 1790.71 1901.36 5230.83 4327.59 3079.24 1808.64 3249.34 2156.38 4109.91 11827.04 14817.31 3765.22 13294.43 4552.62 7060.67 1072.29 6035.83 741.61 3970.03 2584.11 2349.67 4606.81 1012.3 2356.63 953.39 3137.41 620.21 935.25 1379.83 30916.41 1274.29 198538.89 172785.91 130747.8 127569.42 165172.25 150086.89 137817.72 175341.92 219334.2 153401.42 239526.82 190104.59 166743.77 134966.51 178844.53 192186.31 163791.12 185165.32 181392.88 88248.23 5908.33 5700.04 5413.02 5380.56 5659.51 5673.31 5804.49 4905.51 5655.29 Termitomycamide B 15254.58 744.1 788.55 489.58 873.26 1816.19 981.08 13850.9 3566.18 13112.1 3793.29 12389.73 2619.52 8380.21 10376.61 507.75 1159.15 7391.41 16368.65 2673.87 12045.4 2291.64 2699.07 1920.59 14320.98 12496.67 17444.3 10756.85 20568.37 824.36 9333.69 3190.38 575.1 3168.62 1757.2 6308.62 7231.52 8242.46 1521.89 1186.06 6713.71 11522.22 1631.7 5150.78 14905.01 10931.43 18342.76 2551.61 4513.91 8971.64 12878.17 13801.14 4678.75 1258.49 11821.86 7278.43 2261.01 1124.49 14287.51 1975.92 1145.02 2260.89 4418.1 1822.69 1837.72 16195.49 7317.79 8829.3 8626.04 14487.65 13765.21 4955.85 16946.44 417.27 2013.6 8241.55 7950.7 7948.12 8371.76 8224.48 7982.88 7089.99 8227.73 7864.23 His-Tyr-Gln 2487.25 1159.22 2252.38 1491.01 1654.36 1922.64 670.07 2898.35 3916.88 10109.97 953.52 1795.36 1079.39 3260.47 2761.93 1077.58 1276.06 2802.69 1152.97 5573.3 1998.91 866.8 795.66 1221.23 2278 5582.41 792.96 1083.59 704.42 1125.8 1071.44 3198.82 1378.18 18039.31 3392.13 1738.19 2324.14 1284.84 1614.48 607.46 3289.79 1083.41 2649.09 612.91 1512.99 1148.26 1820.63 1829.41 863.08 4033.58 1328.19 867.32 1418.05 1739.16 1694.53 1173.68 371.72 1001.05 1394.85 496.76 1096.4 11924.69 2011.47 1544.78 472.24 3061.19 2060.86 1979.89 786.79 2923.7 1758.05 1982.71 589.92 998.19 849.64 4004.41 4071.41 3645.34 2607.5 3450.95 4589.18 3993.77 3883.84 4255.99 Thr-Pro-Tyr 572.81 516.21 631.65 1133.82 666.77 774.01 551.87 2575.04 1544.41 243.75 502.55 663.36 1145.03 927.16 264.62 227 666.7 781.7 650.04 1580.77 598.71 393.47 506.59 256.8 637.88 646.25 808.47 604.71 352.89 1139.18 697.84 597.67 552.47 272.63 294.64 785.83 714.24 636.33 254.36 507.65 850.96 1546.99 1313.84 210.85 390.56 483.53 804.45 624.83 1917.43 954.75 439.88 712.7 475.99 729.85 471.51 781.07 265.71 373.57 919.98 423.61 703.68 362.8 914 1668.73 507.6 504.36 681.44 363.38 412.09 693.39 228.81 804.33 606.04 222.91 615.41 1918.66 1593.44 1731.33 1618.29 1333.72 1443.46 1613.95 1499.07 618.29 NG-Amino-L-arginine 9398.29 6971.51 2660.23 8582.73 2912.48 5147.89 5062.98 4564.98 9684.2 2218.02 2660.67 4968.37 2787.29 12776.71 10936.85 8203.5 762.42 7190.56 3989.54 16056.1 6957.67 5773.94 10442.33 4063.25 12146.71 6888.45 4518.36 7705.26 13136.88 10634.6 32984.4 22509.12 14881.22 5186.59 2197.72 5229.05 11432.52 3729.09 4296.1 13677.51 18474.7 4769.28 2690.26 6266.68 14842.33 16443.51 12669.32 4138.64 4714.59 5900.6 7479.12 14584.25 7885.73 10470.36 1503.5 3273.48 10300.09 10504.84 4426.46 1936.67 13474.94 3779.72 18736.32 12527.15 2052.99 8405.36 20080.06 4997.81 7899.73 8052.47 4376.61 13620.69 1074.95 7165.9 7384.05 6229.08 6134.94 6908.62 6443.31 6927.67 6886.2 3787.2 7228.38 4341.64 Leu-Arg-Ala 4252.02 465.91 590.39 89476.88 321502.51 164377.8 176117.98 5118.67 539.65 416.52 485.34 2640.76 53719.76 496.35 3199.15 21661.26 6040.46 502.87 1021.86 362.59 2299.53 252.28 223.68 610.97 3902.38 2297.76 12678.05 1844.48 1802.79 3163.3 703.09 6918.36 182.52 3581.29 2292.57 806.88 2337.31 1266.96 556.14 3772.84 108609.7 32358.83 470.86 562.76 533.28 95533.19 462.14 415.98 219.03 5419.81 4440.63 1815.26 2180.31 11811.05 49890.71 557.43 798.99 448.35 4678.15 20175.73 994.92 4205.79 6192.99 3089.1 223.99 14696.53 569.42 697.96 2896.86 1231.37 379.25 2404.47 257.18 3214.82 17303.07 35843.66 34816.92 34689.07 34923.09 34465.86 34729.36 34818.11 34925.02 34530.47 Losartan 3-[(nitrooxy)methyl]benzoate 3544.45 1034.18 267.21 282.32 2930.83 668.01 800.85 8187.36 4066.37 1396.65 321.12 3223.77 598.66 2907.89 1328.69 789.82 482.14 2842.81 935.36 4966.57 6058.92 570.47 269.12 582.5 4438.67 1429.54 1259.7 6415.74 949.29 9455.8 1814.34 2533.73 842.17 734.9 974.96 10916.79 10831.64 2011.73 872.33 4089.26 16030.32 10035.07 1490.62 1434.14 7629.46 2857.55 9094.18 2577.5 6954.65 8152.86 8724.46 4562.18 1890.6 2602.2 347.04 801 411.94 1345.53 5232.81 2438.91 446.8 1964.07 2694.64 920.31 1125.09 2505.12 4114.52 4989.05 6172.02 6568.78 3350.04 6734.05 7606.23 1576.03 2111.28 4752.13 4918.23 4618.66 4773.64 5060.62 4583.09 4782.67 5063.59 5116.26 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 3246.6 2737.42 4304.52 5630.95 20496.28 26914.48 33009.1 2043.75 2046.29 1480.01 2110.43 2548.5 15040.29 2014.79 2447.53 4594.16 3221.37 3375.36 3518.71 2975.76 2090.33 2024.13 2031.95 1982.63 2152.48 3275.45 2693.7 2158.82 6487.93 4349.89 2288.41 5691.4 2089.77 20446.96 1511.66 2652.9 1758.16 3538.79 1831.02 1920.56 19590.49 9205.03 1330.31 1546.03 4013.12 25505.68 2922.67 1811.89 4267.29 13539.3 2852.69 3394.36 1900.56 5988.3 1501.72 2722.21 1349.08 755.94 1777.68 1754.94 1816.14 6994.35 1926.74 1748.87 924.18 7516.77 4362.49 1813.94 1533.16 1709.43 1730.17 2231.4 1532.75 10264.27 61224.03 4481.03 47652.37 2826.12 6134.71 8015.3 14239.98 17092.88 20384.88 22630.01 69165.07 4143.64 94698.99 90393.34 46980.6 102529.12 83971.61 26478.03 12479.83 47118.34 78734.31 39774.37 62309.96 62584.06 37067.06 7268.09 7950.7 8045.14 8113.2 7849.01 8091.18 9343.69 7748.27 7498.2 Phe-Glu-Trp 10097.81 502.44 21766.96 14171.38 11354.48 15096.34 19874.28 3457.73 3657.99 18053.76 23954.33 24135.65 21141.66 20973.04 9986.37 30415.26 18820.87 7740.98 32323.52 11253.55 12389.53 7032.04 24959.27 22142.51 5710.27 11116.89 31083.27 38986.6 1702.44 11849.84 8701.3 44756.67 7282.16 21069.82 24716.03 10144.11 2074.23 5940.64 25046.07 21428.52 9254.35 15860.87 29907.2 21769.14 9839.71 17306.59 12879.97 36900.1 24774.37 39184.45 2370.52 5542.5 30095.44 31253.75 3124.12 9761.13 15149.41 13742.21 3512.51 8240.93 20233.96 12495.86 10207.72 23742.67 19267.73 2009.14 8976.88 26466.8 24276.19 7646.34 5948.19 29389.55 22871.32 22774.13 27309.15 15868.04 12698.78 15255.68 15624.05 15359.35 17099.59 15938.73 15300.94 15692.44 Gly-Leu-Val 44543.63 53867.77 31295.51 38690.8 14919.03 98979.52 54323.56 61103.68 63274.97 49354.92 44138.57 47843.72 51226.37 37229.52 54579.07 57472.61 31419.81 44552.34 57761.59 67220.68 58225.59 47397.79 38214.21 45343.48 57967.88 58786.19 45772.46 59570.54 72820.55 28308.97 59637.04 70325.42 33494.75 60304.15 44080.98 66785.77 52892.35 56948.25 37821.27 36708.82 85506.51 82114.73 43334.31 35228.03 69703.23 41824.69 66413.8 48506.6 37312.02 67440.87 47490.29 53735.49 43670.85 55564.18 38284.97 44881.56 26268.65 26299.65 47748.75 38381.17 31764.01 30025.2 37922.94 42893.47 31325.55 56835.51 61378.71 41880.49 40935.55 48986.48 46378.74 50398.74 40601.36 44537.76 44879.66 54305.93 54483.21 56663.98 54099.21 53338.93 52859.26 52879.4 54590.9 53701.94 4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside 6792.25 1095.33 871.09 2593.25 9403.9 1244.59 1204.37 10711.05 6377 1590.14 3117.32 5919.4 2559.04 934.5 4912.63 2515.02 942.99 2754.88 1788.97 10408.29 7865.57 478.12 925.08 642.71 8810.16 5346.52 3947.6 4107.82 7873.18 4424.39 7148.55 1738.57 719.84 527.22 1872.94 9222.74 7722.12 984.74 666.88 2887.56 14904.45 14118.62 319.35 372.8 8751.12 470.7 4670.96 1132.82 306.75 424.01 12588.43 1828.61 540.31 2253.87 4725.8 310.23 919.42 761.94 6582.38 2257.56 1040.07 1327.26 2806.19 1107.47 556.86 5104.46 4965.68 502.35 1260.83 9286.01 5592.29 2687.94 668.3 1763.51 532.8 4598.68 4423.69 4612.68 5255.9 4370.41 4604.34 4562.89 4353.98 4349.35 Cyflufenamide 1581.58 2906.05 811.89 703.82 1328.12 1180.69 3711.37 921.22 1098.57 535.73 1725.54 1136.55 1827.61 601.66 482.39 3114.76 732.78 475.49 874.53 590.07 531.78 799.38 1961.49 508.33 1892.54 1379.25 1664.92 2378.57 983.36 639.42 945.84 756.15 1015.92 4360.34 1586.74 615.95 1028.6 1673.46 1720.57 1128.23 1003.54 565.19 792.03 1826.27 1780.48 2037.45 2176.82 1603.96 1075.85 1778.49 1043.94 1476.27 1628.95 1114.08 1196.07 1657.29 2573.6 997.86 1641.96 5558.72 1572.16 2310.05 726.9 465.27 1459.95 1173.58 637.78 1279.57 1071.38 689.97 747.29 2073.3 975.05 631.63 1120.28 1492.33 1789.75 1401.95 1221.93 1467.72 1289.5 1508.36 1042.76 1614.75 Amanitin 589.25 359.05 526.8 160.91 215.94 359.35 1696.19 157.07 273.41 134.4 231.09 181.25 175.95 294.08 343.4 265.65 1835 309.1 138.74 739.84 180.87 380.9 164.78 111.12 227.81 361.1 169.7 131.12 101.89 168.54 378.9 274.48 2950.73 1768.02 706.38 1501.35 563.14 3773.48 892.65 302.89 685.92 2981.27 540.74 4002.04 1711.37 3727.36 5140.83 341.74 2335.59 1793.72 4161.19 2868.4 1818.63 636.29 830.17 7029.18 10409.08 181.6 6411.34 448.83 2385.48 559.13 1178.07 481.48 576.8 2738.92 1546.3 3111.16 3080.78 536.81 1291.18 6066.87 229.25 671.8 561.77 1467.38 5813.67 1863.99 6480.91 797.58 6892.68 3251.3 3231.84 5037.26 4178.36 7870.25 3870.45 2233.61 3156.96 6721.66 7061.94 6690.0 6131.28 1813.58 6010.03 4723.4 3114.03 4868.63 4634.86 5205.91 3404.43 3376.34 3617.27 3671.42 3706.36 4406.88 3337.56 3556.27 2674.93 Met-Tyr-Arg 1314.1 4941.04 1053.7 975.96 1731.81 1384.66 377.17 3574.92 4544.54 1883.71 509.01 890.43 1090.45 455.44 4402.06 1967.29 359.85 741.73 1167.55 3790.77 4594.76 994.51 2280.52 2769.37 1885.21 2590.28 1213 465.39 2169.15 891.33 5979.71 964.64 1489.25 5966.36 1298.12 2867.64 1007.95 1488.4 1330.81 1951.67 7652.68 3061.97 1021.42 869.99 3667.83 1445.26 2088.72 1191.11 796.7 1867.08 2953.82 1966.22 1119.08 550.39 1680.89 377.26 1031.16 850.78 823.41 1589.08 1065.53 1236.77 2308.97 605 867.66 2204.67 5582.48 1245.96 1544.47 642.42 4535.82 2191.69 680.35 1152.72 1503.08 2974.07 2759.32 2963.16 3059.05 3018.98 2961.18 2790.44 1816.57 2655.43 Tyr-Ile-Ile 2665.34 453.5 3070.62 2680.99 2955.11 12370.33 4295.51 7961.53 9334.42 6161.03 2577.16 5055.67 6698.7 979.99 6179.15 4914.13 1526.48 1711.16 2908.29 1981.45 4944.51 5042.07 2142.25 4631.46 6382.84 8847.39 4299.32 5373.55 592.9 1565.25 9631.02 7184.78 3645.55 3151.05 3430.89 9974.8 7536.47 6244.6 3682.43 2905.16 9410.56 10953.85 2823.91 3150.82 8273.46 3128.73 9538.6 4941.2 1694.76 5228.46 2816.22 6323.99 2843.1 1716.04 4157.53 4001.7 2095.27 1695.23 6585.97 5541.86 2393.96 2228.06 4958.12 1328.54 2789.22 7505.15 9183.28 3654.28 3597.67 6825.55 5640.93 4719.96 2039.04 2358.84 4612.96 4751.35 5614.88 5692.76 5845.93 5793.81 5795.04 5570.51 5756.54 5867.9 1-Tetracosanoyl-sn-glycero-3-phosphocholine 1828.93 622.51 1007.79 1300.96 1318.95 2159.19 2565.34 2818.31 1221.91 1037.94 1661.89 390.75 717.73 1945.02 1736.88 6448.9 358.33 1254.47 661.26 838.73 773.09 1115.32 916.53 1208.91 1296.78 1816.78 541.18 1243.51 2748.06 476.94 2128.68 783.75 634.51 1793.06 1537.94 965.87 1121.63 2042.44 777.35 324.31 624.27 1142.72 981.15 678.51 2311.73 908.78 2089.91 394.51 777.95 1424.88 1264.06 1485.85 882.08 799.64 1155.75 1418.37 912.71 669.62 1060.86 524.13 1127.43 645.97 854.71 506.86 1235.07 373.96 1045.72 1418.57 1201.39 1013.66 920.42 1577.91 783.96 522.6 1212.12 1315.83 1836.9 1663.29 1924.39 1793.17 1766.62 1713.82 2144.07 1708.59 Arg-Lys-His 90542.07 2110.29 812.26 20731.61 68287.72 2704.32 17759.38 15461.43 59209.98 21466.17 49413.25 244060.69 128000.62 4006.18 20123.48 48626.29 4736.46 1442.79 7337.62 39756.38 32287.44 701.47 21905.33 51438.89 93853.02 8596.68 47912.84 107157.07 5211 49313.88 23387.59 78553.67 645.96 48445.12 6175.08 70848.32 47985.21 41080.74 66070.11 2167.17 80785.55 154819.84 523.66 14130.22 28108.36 50224.21 1366.12 5411.95 62980.29 20065.33 98928.72 3272.67 36937.77 77454.25 38317.45 45948.07 26940.27 22573.43 38352.04 22084.15 13481.22 28643.09 8575.17 29480.38 29827.44 71923.42 18755.27 56669.44 39861.72 29197.71 5722.1 36643.75 15405.46 41473.29 3946.67 41193 41730.45 40802.72 40715.84 41304.39 41317.95 40548.83 40573.45 40547.79 Antanapeptin A 3728.51 713.81 2192.05 3480.46 7211.08 2532.54 10356.79 4803.99 5980.8 786.52 1922.37 1749.33 663.94 700.98 519.3 700.93 305.93 240.22 1397.1 547.28 3550.88 975.06 1014.41 2454.07 5041.05 764.15 3278.5 5779.45 287 1372.08 3156.18 451.93 6299.13 24191.82 4145.96 2072.54 11638.55 18168.56 13131.81 1583.06 2553.84 30197.11 11234.24 4328.54 19790.21 8126.36 3707.15 4741.47 1249.71 5118.74 14809.37 19156.06 10239.87 11001.76 13996.5 3887.62 8313.84 956.43 16053.57 8736.45 10077.26 3023.22 14300.79 7982.84 3508.26 9903.94 7880.94 5573.76 4858.7 12658.41 7276.76 13708.8 11956.66 11430.82 8057.31 12380.14 12384.62 12404.64 12630.05 12089.24 12397.69 12396.43 11421.73 10475.62 Pro-Ile-Gly 3506.73 2557.41 503.21 1073.92 5156.52 815.78 1449.32 7204.98 5689.47 3881.79 1525.81 2585.17 1643.43 2165.21 913.42 8962.98 1302.01 535.18 1473.51 3118.65 3551.8 4391.11 2266.84 5747.35 1344.87 501.12 587.72 7193.72 11171 1906.86 3615.9 32209.99 1624.28 5992.26 735.09 1118.86 4539.95 3427.07 5494.08 1871.76 8089.42 3967.23 5524.06 1954.91 1571 4451.11 16415.76 7862.78 11100.77 15265.4 1012.99 2021.27 774.05 3117.95 2271.26 1842.23 919.8 805.55 2278.8 3023.22 2460.08 1758.47 862.26 2962.51 3816.66 2051.06 4431.08 1134.3 1492.17 3148.11 1738.37 2292.34 3700.7 2946.46 3143.81 3359.19 2203.44 3919.36 3568.52 3550.23 3490.59 4403.51 3656.77 3254.34 Gly-His-Thr 939.18 1378.86 473.78 224.46 215.01 7336.27 1532.78 1740.74 433.42 4773.23 115.41 128.42 651.67 428.02 293.69 315.05 302.84 538.19 196.5 561.74 846.92 3646.93 168.32 417.28 2499.47 10546.94 450.36 979.9 593.19 481.89 948.45 380.54 3356.02 303.68 132.06 1035.17 621.49 4902.96 304.64 115.16 888.36 1194.17 510.43 118.59 843.31 345.98 945.7 600.96 330.81 984.8 1249.11 1198.88 605.36 276.32 325.44 1100.96 167.72 196.41 764.15 9246.1 122.55 696.24 698.05 315.76 128.02 1571.69 715.5 303.2 307.83 850.65 425.27 3488.95 495.89 374.61 333.06 2805.47 2992.62 2232.64 2871.46 2564.72 3082.87 2637.37 2586.87 2870.78 Cys-Ala-Pro-Pro-Thr 5022.79 3261.99 1087.32 1247.53 4446.43 3278.48 2867.04 7272.72 4923.14 3106.34 1622.7 3941.93 2265.99 1548.13 4280.04 4849.12 2028.66 4208.43 5067.62 7436.38 4519.07 618.25 1489.93 2129.98 5372.95 4168.54 1501.01 1916.1 6305.16 5482.03 6480.87 5721.73 1722.47 1948.36 961.14 5622.25 5391.36 2978.7 2260.16 2708.67 4992.32 7006.31 3672.9 2685.65 3671.69 1194.64 5033.48 3721.36 1056.04 5769.73 6724.72 2244.62 2115.4 1267.39 5197.86 3540.49 1115.9 841.3 5661.67 993.63 1420.52 1131.34 3941.55 3090.56 3745.02 5343.31 2505.17 3078.41 3645.14 7208.39 4425.64 3006.82 4612.72 2051.1 1292.02 3696.08 3734.86 3681.59 3689.92 3761.52 3807.98 3962.13 3446.12 3710.43 Pro-Val-Val 392.83 205.78 201.1 3824.04 8299.43 2872.68 6372.59 1413.74 876.47 872.98 814.84 194.96 5165.75 400.7 1172.03 2816.8 1454.73 293.2 218.01 249.68 1286.2 250.86 582.55 360.94 273.09 269.6 368.85 402.47 323.66 632.99 234.01 487.11 702.49 1206.75 715.17 857.08 1362.57 762.08 494.61 289.87 10211.51 3397.54 771.35 964.02 796.64 4948.11 956.72 989.2 898.21 516.7 241.11 674.46 818.29 1073.04 4351.87 792.31 324.39 774.19 424.07 1977.92 658.41 463.89 677.12 924.95 203.78 790.94 404.14 412.63 321.99 212.86 750.15 333.92 778.66 1256.04 1678.58 2103.38 2137.69 2078.71 2033.85 2117.36 2137.23 1763.02 2137.43 2076.77 [(2S,6S,10S,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S,3R)-2,3-dihydroxy-2-methylbutanoate 129.73 154.19 517.56 6027.72 39334.35 48471.91 32346.35 656.42 415.52 721.25 64.45 368.95 518.58 111.26 253.94 1526.55 658.04 177.37 1678.73 195.34 222.1 5062.5 973.02 803.26 129.55 114.91 64.66 701.17 435.78 505.2 129.93 423.08 718.52 728.87 120.25 384.32 216.32 590.98 111.11 998.17 19020.76 773.45 767.97 940.84 589.72 725.87 248.47 92.45 137.76 641.29 255.53 174.44 81.57 92.69 358.98 107.45 353.48 77.39 101.62 1369.16 131.45 456.99 86.05 1811.59 86.49 754.82 1081.43 155.52 71.38 587.46 268.46 181.39 172.13 1048.67 134.93 4051.95 3983.29 4077.8 4041.12 3978.14 4057.52 4011.94 3995.83 3935.72 Asp-Thr-Asn 5834.7 6939.48 15065.07 19282.07 10832.09 9417.9 6676.53 1644.15 9184.2 6362.24 7235.1 3219.03 1007.62 7094.76 8854.46 11102.69 15370.48 6677.22 14256.24 11533.9 17433.66 5484.59 1372.88 6847.9 5345.09 4565.03 10147.04 5505.22 7437.21 1784.4 4084.14 9637.15 5909.48 1883.22 3667.74 8657.94 6844.78 10622.62 4656.53 4773.96 4627.44 8935.88 18961.13 10644.84 8117.6 7626.09 10689.27 3539.47 7894.75 3301.59 2456.27 6939.06 5847.96 16415.98 5880.51 8112.66 3073.65 11024.83 2189.65 2535.36 6289.01 1303.85 5368.96 15104.27 17876.13 5433.75 5675.15 6900.02 19285.98 7269.44 5979.53 6421.8 7001.52 2738.67 4787.4 7457.5 7829.07 7028.88 7517.87 6515.43 6934.13 7740.12 6914.04 7068.52 Ser-Lys-Ala 2100.7 2086.05 1163.89 887.65 2085.87 1595.51 1142.19 1376.19 6887.97 3560.04 1812.96 4121.4 1537.87 1543.08 2747.34 2462.18 1108.61 2750.62 2469.57 2171.65 3873.73 1805.35 706.15 1197.74 3496.35 5275.95 645.87 755.64 4068.61 696.19 2093.15 4603.09 2334.64 474.68 1955.89 5178.9 2765.16 1039.91 2959.54 860.14 6629.79 5820.62 970.81 438.62 2318.99 1761.48 3809.28 1820.76 1074.04 3472.79 2343.08 1064.39 1599.44 2185.66 3199.44 547.01 1189.44 623.64 4313.25 1583.59 1054.73 1358.93 3049.39 2669.01 1534.01 764.8 4334.76 1112.85 1054.73 2165.18 2281.36 2660.23 1245.74 2423.1 2906.93 2370.02 3181.51 3333 3172.63 3336.46 3198.62 2980.61 3328.2 3356.46 Glu-Tyr-Asp 446.15 887.59 532.44 668.4 2051.26 6207.79 3701.88 971.21 639.6 719.82 2160.21 406.98 3360.46 9344.84 338.09 398.05 9192.69 11148.57 3137.59 692.8 493.81 408.77 2336.99 1363.98 1071.64 3349.81 541.31 359.14 450.45 2219.27 1100.14 507.08 473.46 1873.1 1065.61 868.44 555.99 4646.29 1292.86 705.16 404.15 965.2 5404.28 4433.96 1548.04 4993.23 1935.68 2430.07 1049.5 3522.74 723.78 510.77 2270.49 3262.06 474.53 358.07 699.73 943.54 302.6 9854.43 2062.44 2280.55 579.16 470.56 595.25 568.75 829.89 1775.6 3620.04 951.85 347.21 2841.19 4593.15 1095.96 7325.74 1620.36 1544.32 1545.86 1653.4 1648.69 1675.79 1673.91 1544.58 1656.07 Val-Leu-Asn 783.59 1269.82 1176.01 736.22 5402.97 3652.08 634.06 5992.42 4121.16 1828.23 1681.95 1497.34 1535.3 1258.28 4170.15 1723.55 1042.39 2850.13 2611.12 438.62 2050.56 455.79 1240.46 483.15 6151.13 470.17 1557.51 1609.82 3463.94 1157.03 571.09 2385.18 852.03 1013.71 1204.93 1119.49 2642.35 1523.82 684.37 517.5 2069.97 5822.51 1374.05 522.73 957.79 1454.93 1232.75 2203.64 1987.39 482.18 3299.43 2068.82 541.37 1199.31 1172.87 1649.69 1476.37 815.94 3858.23 1097.87 926.4 482.16 2179.54 1345.1 1222.94 2945.67 2952.19 879.11 530.46 3740.91 2297.32 923.57 1076.34 888.26 925.05 1513.93 1505.31 1504.58 1689.1 1394.68 1595.56 1580.49 1586.58 1612.12 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine 568.4 6258.92 98893.15 286137.27 55417.45 11960.95 10519.52 4985.09 6063.63 9105.13 9094.21 936.12 2890.39 1007.99 912.33 2084.54 1047.84 1601.03 1205.66 562.33 617.15 1117.09 1167.54 5414.19 5764.64 1761.6 6196.24 5612.52 572.81 12979.27 6724.21 1300 508.68 4690.32 6599.69 4174.72 7615.03 11366.95 4787.4 7181.69 7324.75 3784.95 4591.87 11169.59 4995.29 2993.68 14607.86 17260.62 4135.36 4865.65 3406.09 6433.58 3828.81 4532.17 3705.15 8153.76 9707.87 7815.35 8531.3 7232.62 5113.46 3581.41 5406 7194.98 7199.08 6684.26 7930.97 4872.04 4672.18 7977.98 9794.65 6899.3 6282.39 7153 6845.19 4983.18 623.93 4251.23 4162.19 4328.76 3581.89 2875.68 3555.96 3239.19 2819.32 934.69 2945.84 2130.92 2180.71 2780.9 2902.73 2165.66 3391.39 3200.92 2549.31 2547.52 1299.74 7373.63 7480.95 7805.64 7311.19 8370.92 7743.84 7319.09 7322.16 7711.27 His-Lys-Ser-Glu 19745.29 6690.65 4318.16 2110.43 13186.24 27831.68 7923.12 21427.54 16502.32 10725.83 9863.74 23311.62 10541.32 8038.66 10443.98 8946.22 5442.56 12957.36 9763.1 8683.86 14686.87 1965.95 6348.79 10494.08 16397.43 10109.19 11450.7 9687.1 15990.6 8288.48 13905.33 14890.89 6103.81 6289.67 9220.21 23613.11 15324.97 6121.09 1410.78 10087.57 6846.21 9793.19 9518.25 9413.31 14958.45 5847.76 5113.74 2095.42 5317.56 9620.33 12983.45 8227.49 1390.31 4064.86 4423.47 5780.46 7322.6 6685.54 21221.81 5317.92 7107.74 4611 14096.02 2075.55 6207.5 6298.37 4662.6 6470.46 8271.94 22080.88 9376.65 1868.32 1705.85 4005.38 1204.83 5376.58 6637.05 5375.53 5994.64 9916.26 7040.33 8150.92 7528.64 6216.31 Trp-Lys-His 1117.29 436.44 341.35 196.38 1420.59 238.86 793.06 5085.67 3581.22 346.62 375.4 734.35 2287.62 1869.44 412.99 461.09 480.75 510.41 600.12 1864.04 682.74 609.66 390.09 708.74 1316.06 361.54 833.34 1635.68 656.32 510.52 1690.89 1282.97 585.68 240.58 205.98 2790.82 1446.62 644.49 827.89 1224.18 1036.25 3664.22 997.91 775.92 3010.68 854.46 1758.97 2564.67 5472.54 5597.97 1858.34 2050.27 430.4 357.6 4389.59 2890.51 531.49 512.53 7946.6 362.76 241.74 812.56 1774.57 1260.18 654.99 3436.01 1139.18 238.85 1466.04 2750.03 1432.26 2724.2 2748.31 768.99 672.76 3403.3 3605.36 3705.49 3416.6 3636.55 3962.92 3342.95 3526 3412.37 5,7-Dichlorokynurenic acid 11198.51 12468.55 7456.85 8955.88 6735.21 9847.74 4570.79 6933.91 20981.65 6403.87 14807.79 6255.72 2666.73 10041.52 23374.25 1316.18 22176.3 28940.75 9854.97 42918.11 9642.33 10144.83 1729.38 9996.49 9565.35 23161.49 7126.04 11602.73 8953.84 6717.58 32192.7 7304.55 45369.63 10146.69 13933.82 10655.48 21024.11 25721.36 12824.87 24254.58 4885.69 5146.87 8179.95 10837.41 13821.06 5743.92 22294.76 15897.63 3864.18 9652.58 1805.6 11051.91 1750.36 2522.95 3429.91 19857.67 6612.04 20402.42 15853.85 4743 15818.57 9782.88 16139.46 19632.31 43748.38 6756.9 10827.4 3109.44 23324.63 20307.24 39745.61 19679.15 33285.78 13722.35 9846.75 4018.94 4017.69 4029 2951.38 4024.99 3994.83 3745.75 3875.27 4037.3 Arg-Arg-Val 4549.82 4101.73 466.63 573.65 62252.62 28593.73 4167.48 127363.81 56984.46 4079.54 7844.08 23418.25 5227.69 8839.1 39868.49 19374.42 495.82 28526.75 13668.27 38338.93 98429.49 21132.94 13624.92 2477.53 100317.38 61164.06 1701.52 2722.59 49172.63 2199.52 62629.52 56085.28 16336.59 2832.66 847.69 41157.96 21275.81 14201.78 7313.79 7713.48 37789.5 74650.9 2450.86 1163.42 75309.24 8791.81 68269.74 47396.28 14123.11 2042.26 89625.28 25824.72 2318.91 2851.11 76505.75 25901.04 1727.67 843.17 59078.85 16608.76 370.98 1077.93 35396.8 1403.05 835.22 54000.1 54819.4 1432.44 5601.65 45399.44 37802.82 2442.71 1070.37 6773.93 1607.13 25373.92 25411.66 25181.68 26166.35 26485.1 25589.19 25609.93 28637.27 25459.92 Nostoxanthin 1203.85 1639.93 7670.33 3272.82 923.18 506.71 1340.99 2698.38 3650.08 2573.63 620.59 2449.06 478.1 449.86 2127.38 4114.52 2832.92 1083.86 2494.16 2096.46 6086.77 1024.39 2504.08 3604.84 1406.11 2581.79 1195.37 883.39 895.55 2700.37 850.27 2125.67 2631.11 8210.14 694.67 5006.02 865.3 636.34 1423.53 1596.33 1520.37 1255.53 932.13 1257.03 564.03 697.15 522.5 12549.46 1296.69 1029.19 494.42 800.1 6428.49 568.59 1202.03 1188.26 1498.59 934.75 2087.24 904.39 897.21 1373.27 1999.9 4729.04 710.76 1574.92 1432.91 1291.37 1784.35 1825.25 1694.74 694.96 1514.61 934.31 851.92 1823.11 1846.46 1487.79 1764.72 1771.54 1468.9 1630.68 1635.1 1506.17 Ergosta-5,22-dien-3-ol, (3beta,22E)- 944.58 1435.9 579.02 1517.6 1778.02 1969.86 2973.69 538.33 898.7 1641.12 12269.27 1257.54 954.01 2123.16 749.33 7171.01 936.47 1203.04 1682.64 706.84 3067.11 897.57 1169.63 1165.29 1230.49 2647.77 1611.17 1432.09 1553.61 720.74 1019.87 1552.47 528.38 1805.79 3424.9 823.15 1455.65 2921.51 712.65 1861.46 1688.19 1617.69 639.72 3017.53 983.86 2095.76 549.04 2512.55 747.25 1897.71 1300.51 1409.02 2625.72 2043.55 921.69 2046.61 1112.48 1642.76 1343.52 1616.49 2084.62 5401.18 647.75 1931.59 1523.25 2595.83 1892.15 3115.59 714.27 860.29 1465.83 2127.07 1256 1860.53 3637.38 1435.76 1279.32 1799.64 1397.51 1526.53 1406.48 1476 1384.08 1447.32 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine 2439.43 1176.81 2564.57 2728.55 2117.84 3454 3075.53 3222.97 361.73 2907.87 1465.54 2965.77 1055.39 2318.48 1957.01 1562.85 2118.78 2238.01 2773.91 2342.77 2132.44 2510.39 2420.66 2821.04 2227.62 2458.83 2944.3 2394.79 2524.99 2594.93 1302.35 2509.25 2248.16 4159.6 1605.45 3030.16 3216.18 1256.62 4700.31 4655.03 2381.66 1381.51 6583.33 5734.67 2622.62 4681.48 2764.79 5946.48 6313.96 6584.55 2988.84 2227.37 5491.33 6082.32 2284.69 2622.34 2337.48 2113.72 1552.45 955.99 3822.7 2986.46 2061.19 5587.66 4486.52 3428.48 5188.28 5798.28 6519.9 3009.19 2742.52 4664.16 7398.3 6971.75 7051.66 4053.59 4028.53 4026.4 4083.32 4087.08 4223.5 4025.8 4085.02 4025.87 2-[(2-Amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoic acid 116.95 350.84 1923.69 1225.19 1566 9370.93 3921.46 196.87 181.22 149.06 359.28 136 148.97 316.18 344.47 475.77 320.16 413.07 118.46 221.32 192.65 5535.12 139.07 1461.77 282.53 202.03 160.47 463.05 591.24 358.54 398.98 2268.57 176.07 1504.64 248.89 374.2 182.12 8000.63 176.12 299.98 229.97 205.61 154.22 400.14 476.63 178.64 403.66 500.81 205.13 427.14 265.3 577.49 401.87 496.04 263.47 791.22 4777.45 4307.01 148.26 6257.1 402.93 278.57 482.57 164.89 187.48 369.18 467.03 341.85 471.47 217.28 460.68 736.5 464.03 486.22 372.77 1728.2 1728.51 1753.02 1792.3 1780.65 1615.72 1729.37 1780.67 1779.02 7-Ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin 28643.71 25802.49 3303.62 15057.25 26798.21 27779.1 24809.07 41851.29 37429.09 29864.37 31095.9 34347.93 28011.07 31396.76 51609.47 29623.96 11604.65 31280.72 36252.15 31033.23 31810.8 17901.67 19688.68 16859.34 34393.14 34172.5 25592.28 30352.39 41146.29 15787.9 42517.56 44689.82 23627.8 17666.94 18300.91 43389.21 34859.59 16501.68 24591.16 25454.29 42209.82 61589.54 21388.03 22812.97 39266.52 30134.42 39809.06 28906.92 31946.78 43286.38 35748.67 28062.75 19463.98 26195.82 31446.9 24269.47 8223.42 8267.08 27659.95 11241.9 16248.85 16940.52 24054.84 19519.32 17133.1 34227.05 34390.86 24668.4 30560.93 35848.36 32695.9 29660.32 27077.61 21888.38 25787.04 32316.77 30824.07 30354.02 30365.2 30638.81 29526.85 30407.47 30823.55 30716.14 1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine 5679.26 19983.34 3076.78 5118.93 11751.44 5465.68 12220.88 15432.78 16012.48 44210.09 1513.47 12004.57 2384.12 6672.23 4322.88 51536.56 14971.89 4517.41 21395.44 4034.69 12109.92 1095.63 22435.12 26425.6 10029.66 4245.19 18033.92 4823.25 7557.77 5009.34 4810.65 12804.32 1491.88 12117.01 6101.99 8811.32 8555.48 5949.71 2493.14 2042.58 10965.7 8215.11 4430.37 7821.07 12466.33 4426.49 3109 7181.03 11008.85 5142.83 5495.22 25258.48 836.39 5363.13 10712.07 29891.87 3794.63 5767.09 4882.33 4632.97 4171.58 1951.2 5916.33 2555.46 5667.75 10168.61 16387.65 1854.13 1294.59 5998.09 5267.57 3443.24 2495.54 5425.22 4149.65 4770.97 5522.73 6244.48 5797.46 4484.95 4598.16 3781.72 3618.87 5033.9 962.82 1635.8 1009.99 2960.15 1351.88 3498.03 15512.38 4787.75 1068.83 3127.34 5281.69 18515.39 8721.32 5303.07 7049.39 9007.09 8265.1 9594.07 8450.61 7946.2 8382.84 Dipalmitoyl phosphatidylinositol 47789.59 75872.6 47444.2 61378.04 75306.06 99577.51 32566.83 38527.19 45598.14 45107.47 37971.35 62863.36 105113.69 88310.55 58410.49 68897.93 61714.79 93987.49 80383.93 89651.18 69848.75 58615.94 52672.51 29958.51 35558.86 74940.08 33760.88 42161.46 65444.1 74471.74 86467.34 119007.54 70209.67 77394.6 44395.14 62576.89 52806.09 82443.73 50827.2 45828.57 121756.61 121609 57007.1 49715.98 85264.13 58231.46 80629.74 79340.87 75456.85 165120.93 81900.57 101859.19 58540.93 81354.55 51619.35 79151.16 53667.27 44975.41 45591.15 44183.03 43211.13 36418.06 58882.89 48376.34 40757.1 79323.79 107636.28 54938.56 45242.16 40093.03 70065.81 47092.54 51276.59 91804.02 80706.33 5387.09 10712.85 7232.33 5014.08 4149.87 4689.79 5257.06 2776.35 3740.02 3984.27 4546.34 3781.36 3829.1 3118.66 3014.28 5360.94 3105.89 3625.49 3426.27 3450.81 3438.09 3825.84 2942.34 3220.21 2235.76 78057.68 83299.42 86788.78 82681.04 82093 83880.85 83805.44 82821.36 82065.61 Lys-Lys-Leu 1137.43 793.41 821.15 924.14 1759.21 1672.93 968.45 2668.67 3325.78 1207.05 618.24 467.02 800.45 1331.39 601.87 1231.78 713.2 2420.38 3791.51 4105.74 3190.22 628.46 744.09 633.99 2015.49 3668.25 672.98 921.76 2698.18 1658.23 5969.25 3498.08 2549.81 2108.87 2617.7 1141.79 641.73 2960.99 439.24 558.57 3242.87 1642.52 1004.05 1001.79 4270.26 793.31 2404.36 463.08 590.63 1651.71 1236.04 737.23 1257.71 421.65 382.85 707.82 984.54 605.83 3847.33 1422.37 792.01 770.55 1149.29 1218.04 1084.71 1555.11 815.52 424.19 608.64 1565.57 2598.01 1111.34 972.51 1025.12 1168.24 1666.76 1653.88 1648.85 1730.8 1761.57 1643.74 1342.32 1684.51 1673.98 Lys-Tyr-Met 399.58 4746.19 12102.19 11656.09 7379.83 1621.25 12771.33 2475.12 8127.19 650.47 6107.59 491.6 8357.15 5091.18 26451.3 7456.88 7762.66 5701.86 6761.06 1688.33 798.18 6872.11 4961.6 1245.64 5165.33 4220.25 820.87 963.53 2514.37 1586.83 2911.34 560.81 2445.61 16591.65 17696.55 2544.9 4193.46 4428.96 590.69 16928.15 1304.73 672.93 13944.06 646.63 2768.01 23900.44 8717.16 7014.5 1048.56 4685.69 3301.09 10685.27 11587.57 26073.57 4416.77 4997.48 11603.06 18960.73 10118.56 14371.39 12960.63 2130.81 17538.65 27375.61 34776.73 8037.09 3116.16 1469.98 5616.89 2227.27 5988.16 624.05 13761.63 25846.94 19252.63 6916.29 8445.49 7249.52 7280.58 7911.42 7318 3723 7852.49 8113.64 [3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate 1299.18 2377.95 1401.59 1822.39 826.57 2631.98 635.59 2317.39 3675.24 1448.46 3531.6 2757.09 843.91 3672.99 3073.59 4284.21 1262.33 3852.69 1358.93 2338.48 1836.97 1530.78 1219.78 1526.35 2655.89 888.55 1221.97 1019.86 2390 2290.12 3477.43 1151.23 1728.62 660.53 2671.25 1286.84 1106.14 2959.38 2419.8 1086.56 3613.31 2197.42 1584.1 962.84 3211.35 1369.62 3388.22 1269.73 2647.2 1271.02 4455.18 1568.7 2883.17 1466.39 2450.46 1051.1 1514.14 937.34 3211.48 482.73 3171 2120.16 2698.31 959.25 1194.76 2518.01 4358.45 1411.91 2031.75 2064.6 2609.9 1545.87 1747.6 2458.03 526.61 2335.95 2162.47 2752.56 2000.54 2302.75 2301.47 2076.41 2373.98 2002.18 Etilefrine 528.92 2845.2 1172.69 822.19 3265.77 1834.17 1763.85 5747.84 6091.85 702.13 1018.74 2005.56 1219.13 1151.6 8558.27 2595.82 1258.72 4287.27 2144.64 6569.85 1034.36 510.58 763.78 1107.68 5908.15 5748.41 1463.18 710.02 5093.15 645.56 745.82 941.88 4267.92 686.55 756.65 3619.92 3441.38 1501.83 865.82 10570.08 581.2 2341.91 5251.36 896.18 1073.11 880.22 2612.37 897.11 629.97 615.11 2008.22 861.39 1192.71 1883.29 2957 465.34 1133.18 2002.99 6461.75 2435.56 424.52 831.93 4935.76 12726.8 4858.41 2340.04 1133.26 647.29 645.55 4673.79 6474.63 1018.08 2247.51 5333.55 1288.08 2344.37 2405.91 2412.87 2366.03 2368.02 2412.77 2364.77 2412.74 2415.69 10-Nitrooleate 9352.58 15798.24 57955.96 51501.87 133596.51 113881.39 12128.05 6647.24 5941.93 4865.29 6536.82 15408.24 37779.89 14689.57 38840.83 135527.37 88015.24 30166.49 14328.2 13321.48 23685.17 5932.11 3808.24 24081.49 9203.1 8637.43 21288.92 6019.91 13889.17 6766.36 16403.4 25201.7 2893.6 9520.15 32423.05 10157.28 15142 10289.36 5766.9 25282.18 37651.35 14506.09 28157.53 18794.07 16058.38 9294.45 12284.65 10377.59 4500.79 116396.8 5617.59 15550.74 12799.84 89490.54 28783 48185.78 112291.75 45371.55 15056.42 61577.22 41464.58 22947.91 24795.35 58871.85 12509.93 40720.4 18176.79 11185.84 43898.75 12831.63 15700.76 11392.19 32612.68 37329.51 27633.06 25553.75 27324.41 27743.43 27463.33 27982.81 27624.29 27566.43 27475.78 27299.26 Tacedinaline 1094.59 2147.03 2260.95 1626.18 1526.92 1536.99 738.46 404.78 1702.95 1693.21 877.25 2071.65 1940.34 1902.92 2142.26 1157.24 1821.45 1758.47 1846.21 1763.03 952.27 1269.42 1260.21 1968.31 1492.03 1955.98 1378.33 845.27 1579.95 1884.12 2482.06 1139.06 1885.04 1649.83 2383.31 1049.63 1515.97 1166.36 1334.75 1443.45 696.36 1807.92 1530.24 1175.8 940.75 1366.36 1773.12 1251.07 953.08 1593.54 1300.91 1512.75 1168.13 1126.57 1151.31 1649 1987.97 1510.68 2092.9 1116.21 881.85 2249.78 2462.99 1219.16 2425.72 1662.08 1224.38 1346.14 1960.89 1910.53 1998.22 1987.54 1740.96 2004.21 1974.62 2076.65 1964.64 2036.04 1949.64 2023.46 2030.9 2041.94 1936 1805.3 Tyr-Lys-Glu-Arg 745.23 1024.37 804.16 847.54 787.96 1094.66 2945.12 4226.56 501.84 786.85 764.26 548.57 867.55 786.02 473.79 1006.22 1703.32 635.85 753.67 1010.64 362.14 818.33 531.37 658.8 984.15 787.94 542.66 609.43 741.61 715.31 559.96 841.94 590.34 712.35 362.71 951.23 569.51 714.2 1054.12 1345.52 924.62 1337.07 419.26 607.63 1166.07 1481.32 2268.13 745.7 897.81 954.07 928.04 810.33 1268.43 814.7 1362.04 830.54 639.64 520.09 722.05 819.09 502.38 892.21 987.89 379.12 814.13 526.78 731.04 1032.28 680.72 647.51 798.95 660.09 1677.29 950.07 1559.41 635.7 1153.4 1025.63 1143.95 1146.68 1121.97 1144.46 1140.01 1097.95 Leu-Pro-Phe 2989.55 7392.88 3509.44 5247.72 6634.65 9251.09 3229.39 8155.91 1025.29 3074.15 2883.04 5119.14 633.08 5565.69 4313.39 6341.05 5184.99 7606.64 1414.81 1373.29 10037.35 3750.97 2178.71 3438.82 6631.28 3838.42 3433.81 3314.02 18683.41 3721.99 10631.05 22056.24 3172.1 2976.18 6247.06 9568.92 5641.53 2693.92 762.5 6643.08 4593.36 7284.53 5094.99 2210.41 18693.8 978.9 5606.58 4099.38 2425.35 10711.74 3891.29 6117.48 4343.9 7022.85 1596.89 6007.93 6322.12 6371.86 3427.66 4505.31 4704.14 2120.16 7181.02 4855.2 7193.63 15560.66 18280.61 6417.3 5028.58 4545.73 7079.89 6276.18 6248.46 7441.25 4098.05 7151.66 7931.22 6899.32 7974.65 7894.06 9886.5 7975.43 7469.05 7883.55 Val-Arg-Ala 9257.97 7774.09 10865.63 50352.97 68612.26 73819.37 182532.87 4445.61 5410.29 6772.59 5292.36 10859.38 12963.88 8572.13 11364.83 8681.92 6156.46 8488.13 4993.17 6838.34 8605.78 8637.58 3535.59 5309.3 8628.03 11216.8 8297.2 8403.35 11062.84 4135.91 7475.81 18418.53 4103.14 11969.77 8019.6 12076.3 1888.45 5180.45 5052.72 3055.48 36623.08 14549.79 2905.91 8368.22 3210.49 42582.3 2691.85 8680.09 1645.65 10901.02 7667.79 13848.13 2751.93 14840.7 21137.44 7335.36 6095.31 4848.95 12103.65 7413.27 3196.63 6930.11 12697.35 5021.38 1902.37 15143.4 12635.51 6929.83 8026.32 3110.57 4104.28 5655.58 3179.58 4449.81 14691.38 25346.97 24366.83 25010.61 23092.83 21691.43 22937.53 21953.51 23367.11 23093.59 2-Hydroxysaclofen 7384.32 9849.98 5784.07 5420.05 6967.21 4657.59 6246.23 7517.86 5017.69 8889.41 5648.24 5631.75 5893.23 7273.21 9001.61 7151.19 6394.88 7101.1 8258.39 3410.59 3167.63 669.53 5166.4 7012.39 8764.54 6288.5 8255.88 7709.77 9410.29 6027.28 4309.68 6737.4 6918.97 5777.97 6040.57 8942.54 6656.9 7663.84 6933.58 8986.75 4551.54 8320.73 8135.14 7947.86 6652.05 6872.49 7376.69 10349.42 7472.45 7556.03 6141.36 7790.69 6441.81 6626.83 6655.97 9142.66 6083.34 6832.81 7958.65 6118.43 5497.06 7538.87 7013.83 6083.22 8328.38 8382.85 6176.44 9105.3 9061.24 8466.15 8094.2 9384.64 7099.09 7662.16 7081.74 7485.08 7204.4 7225.26 7245.4 7269.79 7202.93 7213.97 7203.32 7270.44 Glu-Gln-Lys-Asp-Arg 1068.19 409.88 356.28 501.75 1204.06 596.39 1196.06 2382.09 1793.5 1142.69 843.32 1778.8 569.33 525.04 1000.33 1416.12 810.15 798.37 894.57 323.36 1163.69 368.93 967.07 339.97 1050.57 895.23 669.4 765.88 1103.7 394.81 730.59 1421.79 878.8 3672.08 239.15 2570.57 3827.35 615 1220.69 1555.13 766.46 3443.97 587.81 362.72 3915.05 1464.35 575.69 1573.36 3693.3 776.7 3046.71 264.3 1296.54 304.17 7587.23 1514.37 766.54 621.88 2778.4 560.4 673.34 302.08 2274.1 2249.67 1211.71 2130.31 965.36 963.79 372.26 1199.31 322.94 2215.4 494.05 260.68 281.74 2459.27 2923.15 2733.06 2680.78 2501.36 2492.07 2442.54 2521.33 2689.76 Lys-Gly-Tyr 436.61 314.74 407.65 500.78 675.6 671.17 816.18 1243.95 879.74 1619.72 719.7 1111.93 1000.04 573.28 1182.85 875.72 585.89 1073.04 758.46 944.04 599.53 576.72 396.34 948.43 1488.88 711.52 1498.16 933.37 1845.34 814.24 1123.52 1554.14 341.06 243.43 1149.34 544.63 976.95 295.18 731.51 285.87 702.25 667.67 883.94 634.91 520.32 608.33 916.12 724.22 1508.49 2030.14 748.62 977.13 304.25 618.34 708.22 1604.39 360.4 565.29 1007.58 726.92 333.87 518.18 1580.3 538.78 524.5 679.69 1352.98 266.56 588.39 1665.02 1104.59 1205.79 768.45 242.28 313.74 1919.41 1441.89 1367.68 1750.53 1900.33 1566.54 1557.18 1674.35 1101.64 Deoxygedunol acetate 2356.83 764.42 2265.81 2533.01 1403.24 935.85 3219.92 2939.75 1356.28 1580.96 2428.44 1678.86 1855.34 2565.94 475.74 2085.55 1140.46 2402.87 1932.11 1698.84 797.28 1995.53 2103.97 2515.76 1017.54 752.73 2114.51 2035.16 3783.43 1617.95 998.42 13803.48 540.72 3609.18 1988.26 1032.21 1821.74 2650.77 905.96 2256.46 1403.98 2533.2 2496.88 2730.65 3545.51 658.22 4316.39 870.58 1348.37 2106.61 2008.34 2375.68 1069.19 2309.8 2170.77 2436.68 4827.53 1860.3 2281.84 2957.66 2003.28 1669.43 2140.42 3329.11 2377.73 3965.78 2508.56 1389.6 1465.6 2523.41 4398.54 763.14 952.58 1117.21 1602.74 5811.41 9511.84 6426.09 12892.29 4189.98 7277.15 9276.61 5681.94 5301.09 10078.75 6117.87 5230.02 5981.05 6100.48 6145.21 5969.69 8885.64 9695.33 4912.84 8676.65 6184.93 7078.88 12003.79 6017.93 6580.04 2329.14 2339.13 2229.7 2250.44 2212.47 2330.59 2330.92 2243.9 1998.47 Trp-Pro-Glu 17761.2 5719.51 2073.45 2897.41 11178.25 4660.73 6264.44 24350.05 37901.04 8626.24 5324.51 3282.69 6075.53 5223.21 18801.34 20763.34 542.58 16660.83 1123.84 13984.25 9243.19 3121.66 3441.53 5199.41 40387.1 4286.88 6317.11 7365.97 6187.05 23341.76 1507.16 3531.68 4157.58 3086.11 4227.46 4578.31 5742.67 4409.56 4298.77 6401.14 7034.72 19055.57 1999.69 685.54 12788.56 7718.47 24587.55 5405.04 25736.9 13319.78 16640 5136.61 2949.63 6808.54 8826.68 703.83 4467.9 2346.98 13512.07 2806.8 934.12 2620.03 2066.29 3333.18 2453.86 10456.29 8352.87 8070.26 10079.02 10434.22 15499.08 5361.43 2109.14 5104.81 725.59 5836.35 6115.95 3167.97 5938.11 5697.77 5651.74 6451.76 6099.96 6287.45 Leu-Ser-Thr 18673.31 8008.68 1051.38 6067.24 11954.34 21739.89 15943.9 32723.53 24377.86 21846.91 10574.45 14760.44 8637.55 16542.1 33394.4 16205.87 4239.67 50875.48 47174.57 18722.28 27352.2 24427.51 13143.53 11748.94 32525.23 17689.32 3607.25 10635.55 37984.31 13902.31 12141.89 47963.85 34558.81 13544.57 5779.5 36498.85 32724.16 11991.15 7327.74 7500.13 10748.31 31258.31 17327.8 9817.09 24895.19 7532.96 20520.85 16962.82 23042.5 21712.46 12574.01 21776.31 11531.29 2755.78 19528.08 18845.59 7386.43 6976.45 49204.25 4929.29 9554.81 7625.03 23482.3 18659.33 12755.24 8832.74 10196.68 10239.02 7608.95 30373.36 12987.1 17905.58 18815.42 10079.23 6213.38 20305.45 19799.69 19803.7 19793.01 20289.07 20455.34 20085.41 19790.62 19195.04 Arg-Asp-Arg 7050.28 7555.95 708.25 1683.64 7128.65 8607.11 2961.66 9391.64 10977.08 5958.08 8536.2 14344.3 11285 5941.81 18173.35 2654.13 2751.6 6725.16 14321.05 31193.51 10611.62 7980.22 4131.34 4804.15 12381.07 7604.43 1943.54 3904.31 18365.88 6679.1 13490.99 15536.07 9328.78 3358.44 2142.61 5688.96 13439.88 8724.09 3152.34 5042.88 9095.47 32029.09 4619.34 2586.25 20084.28 2081.92 20207.85 7264.52 4561.11 22562.19 9276.22 8310.95 727.49 8388.58 1400.73 18660.53 782.62 1325.37 6817.45 4632.54 2766.59 1035.33 8275.77 1207.56 3282.43 10094.49 17332.21 3828.75 2478.65 11157.02 7185.78 11285.61 2065.52 3561.17 3745.6 10201.84 9823.06 12258.37 10421.4 9711.4 9638.06 12850.96 11003.62 11409.25 Buprenorphine Glucuronide 700.26 829.82 6145.36 215.26 1036.07 1093.69 439.34 819.7 765.73 353.78 272.65 772.06 453.87 367.79 437.56 524.47 217.53 226.05 420.62 649.53 289.07 418.64 1091.36 5949.59 256.71 333.76 870.1 1077.73 1165.68 337.38 401.66 1132.36 397.44 1752.44 618.28 2967.9 657.33 1663.28 3628.04 1154.53 1291.42 243.11 1341.22 1091.61 1002.42 465.85 346.86 2186.94 543.56 2373.57 599.95 865.26 1754.17 1705.66 374.89 260.39 1180.37 1102.16 492.06 1113.05 518.52 1202.24 2085.89 961.5 952.67 351.27 852.13 1004.59 1355.25 806.94 994.89 1231.52 1451.1 1253.62 2146 2625.8 1970.36 2186.75 2231.32 1824.93 2086.15 2036.97 1817.45 2196.94 Farnesyl Thiosalicylic Acid Amide 2605.2 6434.92 3812.47 3823.95 10931.78 5307.93 11921 7391.65 1216.67 2822.22 2869.88 3097.3 1051.78 1965.89 2534.18 4168.48 2074.37 882.25 2081.02 1524.67 7432.06 3549.5 2729.85 7130.29 5916.27 572.21 2233.79 2154.46 7045.87 1756.08 824.67 2581.14 439 1712.64 2984.91 4023.09 6040.3 1209.23 2772.25 3898.07 11443.66 11326.52 3985.7 4002.92 4708.71 11599.04 7530.3 2667.18 3822.75 1261.06 2999.91 3288.28 1436.39 3934.42 10875.1 5449.3 3166.75 4648.96 4981.37 2314.96 5876.7 2461.59 5117.13 3155.27 3840.35 9956.33 3332.52 3276.66 3905.27 6385 1095.81 4248.63 2672.54 2183.54 1303.64 5990.1 5862.32 5856.41 5969.16 5969.74 6455.07 5806.13 5859.74 5856.47 S-diclofenac 9383.76 6682.35 8730.93 10900.64 12138.96 18904.17 13365.65 8794.91 6647.46 17749.39 15618.46 17057.91 27062.07 19077.14 6428.54 10640.44 11782.89 8631.23 23654.2 9254.52 7317.32 21068.54 15071.19 14859.12 1656.5 8388.25 14146.53 11504.45 17330.19 13122.03 10871.28 19448.98 7442.12 20597.49 14601.26 15046.5 4783.86 15263.61 20978.66 15877.81 23456.64 18703.56 18039.58 20363.58 12936.64 18313.49 5585.45 16559.08 16688.33 15696.02 14637.06 7726.01 19110.82 20636.12 18968.62 10753.14 10811.86 10413.94 8580.68 19002.59 15403.55 21398.09 2880.16 10534.09 8269.27 15105.34 7366.38 17882.45 11861.18 6143.11 6596.46 19339.8 16538.5 18524.26 12714.87 14177.22 14470.15 14304.79 14238.43 14485.55 14221.61 14478.68 14468.59 14390.26 Tyr-Met-Leu 2320.08 3440.09 9921.53 9542.19 1986.74 1323.94 4579.3 2647.21 1005.49 1742.7 6159.36 6482.93 4218.74 3574.28 5350.05 4820.76 856.57 4313.41 841.79 1980.39 799.55 1375.39 4324.67 4893.15 470.67 990.75 2555.41 2255.29 3289.47 2460.79 4615.62 3220.47 736.77 7248.79 6045.95 2154.88 1853.51 1786.91 3781.04 6988.73 772.69 1349.98 5385.38 4282.13 2880.95 7522.01 3576.69 3708.16 1402.63 1746.15 3522.7 4825.59 6648.52 9770.98 5546.49 4274.37 8205.29 7370.25 982.15 3099.18 3927.84 5912.32 9435.75 19999.5 5391.99 5170.39 4266.52 1450.64 4401.35 5367.22 3335.79 931.32 8065.85 12470.75 11835.91 5337.92 4918.22 4177.67 4846.97 4685.74 4922.85 4723.49 4983.47 4930.14 Deoxysappanone B 7,3'-dimethyl ether acetate 4957.15 3306.62 2149.11 5449.16 6521.8 7894.63 2074.25 3466.87 6171.86 1120.14 4253.26 5655.65 1731.93 4839.72 4417.24 4233.6 3683.53 2862.12 5856.44 6567.12 1496.59 619.85 3157.15 6767.21 7356.85 7542.02 2949.16 1528.32 4433.18 3514.41 4515.63 3331.94 3592.79 7244.2 7419.38 5552.61 8928.7 3439.27 6069.24 4813.6 2097.54 3640.57 2370.79 3633.83 8920.75 2255.61 6897.9 6513.25 5358.52 11471.48 4602.06 4657.59 3633.51 7500.96 6185.39 10928.18 3695.67 1254.18 16346.51 3777.7 4444.51 3991.56 782.14 4455.45 4794.04 6104.02 4084.63 2045.88 5868.94 3287.62 1589.34 6463.73 6713.94 7087 1191.08 5495.13 3976.43 3403.76 5268.85 4464.3 5903.72 4420.76 5270.6 5046.49 Carboxytolbutamide 15130.56 18355.3 11888.25 14695.78 16208.75 15056.53 16079.16 14940.73 15580.14 15219.73 14213.88 14142.53 16487.18 18446.55 12746.02 16162.24 11344.55 14811.64 17575.15 7551 13994.29 11423.68 12013.34 15908.67 15574.98 16581.2 15898.18 16754.37 18863.56 5301.9 14783.18 22737.47 9370.09 17065.35 15445.38 17464.52 13014.07 13262.45 13169.48 15280.26 9775.31 18458.87 15024.57 13433.91 15767.68 17251.31 13864.6 13343.57 15617.55 20198.71 16847.53 16761.18 14170.62 19221.87 13131.08 14464.72 11827.44 8780.84 12699.81 9135.06 10593.73 12802.76 12768.99 11540.68 10215.24 17621.89 9516.68 14630.8 14392.35 12945.03 13139.72 16764.37 14083.7 14154.3 16470.57 14514.46 14630.45 14631.21 14267.78 14500.33 14479.63 14484.08 14707.28 13756.88 His-Lys-Gln 3538.02 3673.73 3617.06 1764.57 3506.59 2641.89 8680.12 9326.64 2598.77 5031.96 7736.26 4629.91 733.45 4365.87 4757.14 544.61 1229.71 3920.93 3194.78 3382.28 6948.36 935.43 3493.8 1100.98 3972.97 489.35 1417.56 5912.55 3287.65 4131.24 4684.89 1758.74 830.26 4230.43 3575.78 4053.6 1997.36 3939.27 2871.98 5669.93 4479.89 4172.6 4526.53 5245.21 3700.9 5272.88 6847.84 5426.39 2627.96 1285.4 3605.13 2674.2 3604.05 4130.94 6015.99 3464.61 2784.83 3815.89 4111.25 3535.96 3620.29 2502.14 4494.69 4574.38 4355.15 3921.73 5979.01 3457.8 3475.61 2850.77 2959.49 3625.73 4133.24 3108.98 3145.37 4018.75 5816.27 3907.86 3631.04 3710.67 3830.67 4057.53 4197.28 4052.35 4304.39 3791.61 4189.05 4543.23 4427.16 4006.5 2608.59 3679.66 3935.29 4639.41 4205.78 4694.76 3685.07 4960.28 4405.42 4288.68 4042.24 2654.33 4108.54 3992.49 4072.1 3897.93 3894.65 4131.75 4110.3 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine 15730.02 14695.68 8701.29 11425.37 5279.62 3837.94 4243.4 8168.38 9830.8 1929.43 7551.72 1683.65 2335.74 5856.52 2008.36 4153.26 11306.53 3628.22 12458.87 1946.61 6800.9 2860.69 2016.54 1073.65 10001.11 12070.48 7689.64 12119.12 11935.48 9435.47 9265.27 11882.85 7017.69 3302.37 9983.21 5089.78 11987.57 12836.79 9779.78 11527.04 16860.65 8486.42 10132.88 14423.56 5814.04 4178.94 7792.74 5449.99 109868.69 12641.03 5090.86 12358.49 9756.79 12597.37 8383.25 15225.45 10728.91 11951.03 6962.21 8030.96 9288.35 10738.18 12355.35 14832.93 3799.84 9228.39 7933.08 8477.36 6354.79 9997.28 9597.68 12419.27 29015.63 20885.55 10082.45 10079.66 10015.66 10823.27 9769.89 10111.15 9888.31 9683.53 9173.23 9711.64 Arg-Phe-Tyr 1551.31 1005.54 4029.22 14180.6 62902.47 25892.52 21588.43 10050.7 11369.39 8515.1 9443.3 36123.25 11637.68 8699.59 3533.62 25504.28 657.12 19021.93 1087.08 2372.22 18281.28 1106.91 5495.05 799.09 15057.01 23390.65 11261.5 1075.96 27905.76 761.56 1744.22 36745.36 3174.94 21869.3 8331.96 5485.07 7449.91 11401.46 5933.45 566.22 5129.08 51044.22 1961.58 2102.06 13049.37 34451.65 4738.72 9262.02 17270 3047.69 52704.19 8848.55 7764.51 10725.18 16907.97 3355.47 614.85 1370.33 19694.27 11115.09 2990.56 10931.92 9439.65 9775.96 2955.08 14250.93 1538.58 5390.88 3568.79 839.84 2193.47 8785.58 12406.76 4945.84 8104.22 11609.65 11678.29 11321.38 10465.8 12257.84 10077.7 4462.07 11647.16 8316.12 5-Fluorouridine 4835.41 14407.55 9939.09 6597.3 9718.65 3423.38 19156.79 13675.49 18796.76 8505.81 6162.05 8830.58 6853.06 3307.44 6098.86 6082.55 5693.6 10716.87 4284.29 3649.24 6963.63 5415.84 4855.95 11855.65 12852.32 13741.9 11487.88 9464.11 8814.29 3093.16 3955.37 7987.43 6051.27 12620.02 7800.5 10108.64 12114.92 2922.2 2651.71 16703.61 4986.72 4418.68 10244.39 2457.63 3745.64 9059.75 11076.61 7197.89 2321.19 6562.11 6427.55 5828.92 14254.16 9649.39 6766.73 6078.93 8207.11 13084.5 5389.72 2686.13 4754.77 4642.35 6182.78 16291.99 9518.54 13109.14 4839.1 5570.16 6475.15 12475.84 6330.97 7712.98 11254.26 22339.43 12243.7 11626.04 1757.03 4212.03 13233.65 9140.53 4632.58 12770.91 12117.36 10956.36 6224.5 11214.29 4754.96 29823.65 20750.99 10319.95 28275.49 6298.26 33080.38 10400.86 18165.37 6019.73 24416.03 12520.2 19342.73 10298.5 10091.92 10546.37 10650.59 8945.69 11048.38 10624.92 10283.66 10408.23 1-Docosanoyl-sn-glycero-3-phosphocholine 38508.74 28739.88 21798.51 9431.12 3747.24 3211.88 1813.5 23282.6 26453.47 32902.41 21880.03 15078.65 12859.78 29383.2 24267.74 5264.35 17640.15 18020.12 3000.97 23067.9 19825.02 19169.01 24779.02 35527.76 32224.42 38865.99 28412.26 32990.11 4074.47 45778.68 18133.54 14567.56 19345.6 19448.45 25542.28 12855.85 32871.32 33234.64 36130.84 42298.32 3560.47 7107.17 31604.17 41550.02 13166.35 7383.38 11022.47 14212.74 3552.47 11157.14 9555.28 24398.41 34086.1 22260.51 1823.17 22313.08 20772.54 34366.28 30906.75 28479.67 28079.95 18065.32 24471.68 27644.92 33624.82 9356.52 20492.61 23214.22 14627.47 28111.53 31329.33 36097.47 17327.06 18864.26 19249.21 7481.74 8072.54 7655.18 9083.33 5772.16 8493.59 7247.58 7854.85 6748.7 Thr-Tyr-Trp 712.51 606.8 1430.41 289.73 651.32 1824.2 875.58 3165.84 3831.51 1772.01 553.18 857.06 543.3 1997.91 784.94 209.21 601.03 453.73 736.86 1011.57 359.02 830.61 779.97 613.7 746.72 1060.61 159.75 1341.83 894.31 152.19 1048.38 754.85 572.62 3888.25 927.62 549.61 980.45 2041.83 266.69 242.01 304.07 2540.45 819.39 1612.9 2890.14 1061.63 1435.79 413.14 2878.37 1875.38 3141.98 2089.12 691.81 2769.97 6294.08 4268.63 2692.66 684.37 1428.33 3484.38 1955.14 1017.23 1562.45 1332.79 754.54 1964.36 1088.94 1539.32 893.8 3079.94 1985.3 1284.92 1899.56 1853.73 1229.24 3424.94 3004.63 4037.6 4198.85 3887.64 3472.24 5002.94 5701.44 3249.23 Ethyl pentadecanoate 54025.08 287376.91 152221.8 121468.48 168551.06 531137.35 150853.64 121010.72 154389.91 84860.34 56664.31 105024.22 120763.69 49801.89 309252.31 134622.96 113949.56 182327.14 291815.21 298354.95 101500.2 243368.38 64845.6 186593.62 69792.91 58244.27 86698.65 51193.21 264620.06 246356.47 83796.1 401960.94 203443.02 122566.7 175288.15 126802.35 74300.12 117023.18 70227.17 177620.71 105552.54 97025.68 121063.67 68934.2 72029.63 70329.83 174638.81 661916.51 70740.45 134810.92 36241.32 72975.55 59594.34 112739.64 70970.83 247805.11 120221.46 160382.68 158443.78 351714.92 85223.03 155857.76 91459.45 226837.32 292272.66 108166.79 258182.23 92690.88 100803.54 172174.96 229350.62 95333.14 81317.94 251402.71 200236.77 156212.5 158079.17 156353.99 156451.57 155940.29 154433.88 156453.39 155938.3 156454.63 N-Acetylvanilalanine 6088.54 5175.17 1246.41 3960.14 6238.07 3713.26 5001.75 5996.3 3956.3 6043.36 6347.99 10547.86 6196.09 6602.45 7232.62 5547.2 5186.29 5552.84 9602.52 4597.31 1940.73 3956.13 5563.4 8249.28 6961.38 1600.69 7267.06 5348.77 7670.58 4168.74 4216.87 7519.47 4919.29 4466.97 5669.35 5286.17 4355.58 3792.21 6275.08 6393.8 2715.28 3058.08 7783.12 4827.76 5433.67 1867.14 7788.79 7232.37 6638.41 9223.9 5305.73 7341.64 5667.86 4226.42 4723.54 4051.4 3343.15 2413.85 4804.93 4713.66 7213.05 7492.66 4436.25 3668.09 2924.15 7796.58 4604.35 7215.41 5328.02 4543.5 3868.46 7437.45 3064.77 4393.5 3520.16 5058.44 4969.69 4976.71 5145.69 4708.43 5031.37 5028.37 5081.82 5077.33 Phenylhydrazine 13524.48 26807.34 17832.29 26115.2 25771.61 28114.04 44919.39 23692.73 12831.2 27304.47 23356.67 41763.17 49723.32 31185.67 27691.83 20772.55 21065.25 18969.95 45670.33 10408.72 6824.77 30782.72 29189.87 33084.42 21981.95 10037.84 32072.01 22334.36 34358.76 3657.77 9209.32 30760.87 26720.25 25039.01 27241.11 24655.86 15175.53 17297.07 25172.58 23232.83 8656.16 22513.09 30825.6 21958.7 18168.2 23029.22 19306.09 45825.22 27980.64 26180.34 13837.12 26031.92 27734.98 29235.78 16427.25 23887.1 10759.77 14476.45 15799.42 15171.77 33639.5 38119.63 13904.22 18958.23 17225.76 30565.24 10243.73 24451.34 20396.85 14236.99 14926.4 26747.33 13577.93 29788.96 25095.78 23039.54 23086.78 22877.64 23038.46 22877.56 23043.03 23012.47 23045.65 22905.77 EX-527 (Selisistat) 8179.34 6105.86 1979.85 2064.3 6901.69 7627.9 3693.37 10043.17 12901.17 6377.61 4675.53 4737.13 3073.77 3160.39 11353.98 1505.29 4022 6430.65 5804.06 10449.01 7588.49 6251.13 5138.07 4483.68 12590.77 10488.31 5765.1 4591.72 5980.96 3663.11 8667.73 6083.75 7604.1 5833.56 2201.21 5166.1 9983.62 7826.64 3134.11 3686.47 6245.06 14778.06 3484.73 1492.09 13370.17 4326.36 8087.34 3848.39 4567.79 7484.69 10284.09 10757.06 2813.06 5527.94 12022.75 9512.01 1793.66 2254.94 10911.8 1402.57 822.4 790.1 7206.29 1019.73 532.75 14365.77 15602.49 4473.26 1646.82 12278.6 11712.15 8788.33 5191.29 3808.03 1837.08 5978.47 6137.33 5983.8 6157.96 6094.75 6189.8 6283.8 6056.61 6038.32 5,8,14-Eicosatrienoic acid, 11,12-dihydroxy-, (5Z,8Z,14Z)- 28745.4 29168.38 58404.18 48059.11 60305.25 65401.07 20001.91 24302.82 6731.27 21138.96 15546.66 31656.97 56407.71 42758.53 21181.25 52534.53 60458.84 17762.29 32388.52 14494.59 27464.51 40012.09 41705.61 46907.23 20252.54 1701.84 14284.23 18260.85 35581.94 16044.62 17732.66 36225.29 13999.05 24689.67 25014.47 21397.07 16534.9 26043.19 24480.54 21695.33 19402.48 18128.16 26707.81 50696.5 21480.52 40258.94 14862.54 29179.9 15348.86 48903.27 19636.25 29808.34 25216.01 22309.86 20804.5 33215.37 74714.96 22459.9 12192.58 32656.04 48174.86 50201.95 21615.06 26392.57 16481.09 32811.09 36991.5 30997.66 28453.6 16430.51 7404.21 15761.06 19101.34 27555.55 35173.19 31356.4 33356.29 32778.83 32796.36 32088.35 32149.01 33514.03 34324.35 33381.93 Asn-Tyr-Val 3447.49 10390.67 1236.59 9789.32 19286.31 21925.33 13514.42 17388.43 18309.66 6651.3 12347.71 8328.2 11849.08 10770.9 22345.46 17541.91 7128.62 31286.91 30072.02 93056.64 8977.58 13554.23 2481.47 10455.53 9047.23 16336.26 3826.83 9734.71 20922.17 1471.62 12621.89 19057.2 18748.28 12183.96 4050.27 4487.38 13450.71 11873.55 9198.89 7580.46 6351.74 16716.64 4373.57 3292.89 17194.95 4937 32483.12 6933.96 10598.3 37975.31 10282.65 12739.21 2405.78 8122.25 1929.86 13111.41 7678.09 7343.13 6521.67 11563.48 3478.8 930.48 4799.36 8518.91 2908.21 8588.72 33090.81 8508.26 12996.27 3720.22 20596.18 16210.09 13393.48 2342.98 8821.45 10487.49 11101.45 12223.62 11847.04 11886.09 9477.11 10953.57 12328.72 11895.73 propan-2-yl (Z)-7-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoate 3299.67 1010.34 986.34 1290.12 481.12 2273.99 686.46 2133.15 2422.12 1046.82 394.28 621.69 419.75 2115.96 2326.14 1625.96 2612.38 3354.01 2559.77 4588.52 1912.87 1477.71 762.73 1279.05 745.5 1119.85 1152.32 477.45 4071.7 2569.06 4761.83 7526.72 1106.66 424.25 1120.25 2585.18 766.15 1785.16 393.86 1002.34 3919.78 5661.23 1199.68 1358.55 4944.23 1492.36 1147.07 1463.37 3465.05 4750.19 2277.64 2187.32 606.8 3040.04 1861.95 989.41 1045.64 1228.8 508.98 1151.15 826.48 933.2 1725.51 1072.6 995.68 5606.21 5088.87 877.75 566.52 1692.96 1426.14 1535.63 466.27 1551.23 708.6 2226.54 2540.61 2546.82 2392.77 2446.51 2541.39 2511.43 2557.08 2540.03 3,3'-Dimethylbenzidine 94330.65 118187.59 69071.47 75175.39 132346.4 196818.55 111079.2 130493 143674.17 102174.45 65945.62 75541.47 83292.5 70294.61 103959.07 90454.41 62793.53 96651.28 98464.35 130579.26 114481.58 76318.47 64132.48 91862.16 131879.27 140863.34 84536.93 92620.09 160296.78 44155.15 144471.53 115265.42 69200.56 94189.53 88820.45 145489.98 110859.88 120306.52 84601.18 72425.45 159185.13 172216.8 88857.68 69854.65 135732.22 74103.9 138439.7 87754.43 74095.06 120254.31 79974.92 111094.89 83131.02 98921.28 73267.03 101628.74 54896.41 45805.49 97569.16 85418.48 56282.88 57978.49 87060.73 78856.46 65748.14 126806.07 134979.9 73618.24 79734.98 113734.2 111410.49 103897.24 78060.43 84764.84 87251.5 101566.6 103308.21 102558.09 102553.43 102133.63 102287.85 100986.67 102556.13 102086.82 S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one 3286.73 393 1182.36 1365.66 529.11 897.57 1295.25 2949.15 417.35 1296.17 1018.73 1626.07 292.73 449.33 1921.2 380.14 1349.03 3127.45 1528.4 1136.67 3072.49 1008.58 802.71 1161.17 1056.22 1353.18 918.41 1238.22 2731.08 1407.89 303.33 490.44 1192.22 803.76 723.5 2594.47 1903.51 1239.2 779.53 897.22 3546.68 5397.91 590.9 1199.2 3193.49 1246.48 442.81 1192.55 1378.29 2862.95 737.37 868.37 775.55 673.2 2801.85 2691.89 463.34 698.35 3453.95 454.21 843.56 532.58 309.02 382.03 643.14 2770.79 1518.42 1409.58 1076.1 1716.13 1283.34 1325.75 1051.97 606.43 616.98 2083.04 2026.92 2023.45 2082.26 2086.57 1801.44 2027.34 2022.03 2082.05 Meglumine 485.51 223.67 280.97 494.61 419.23 363.59 355.37 437.99 422.66 308.41 380.67 314.58 288.94 406.08 275.54 301.19 273.8 196.09 235.06 300.38 361.47 499.48 332.79 336.51 243.24 358.98 330.13 433.13 184.26 361.93 219.18 363.2 278.48 326.91 341.25 210.88 248.58 418.34 313.28 232.33 251.19 272.34 305.26 316.36 290.64 395.87 213.96 206.19 230.84 327.17 212.08 351.47 287.48 311.81 426.08 331.59 324.72 342.22 254.97 263.99 262.35 214.16 250.33 229.05 311.9 273.31 322.34 336.07 326.35 404.61 348.42 288.83 527.83 400.8 247.93 870.91 919.89 870.28 750.84 867.92 895.94 878.81 896.44 876.21 N-[(3S)-2-Oxooxolan-3-yl]hexadec-9-enamide 2742.72 3832.69 3512.96 924.23 5725.72 5597.03 628.43 4208.91 480.13 644.73 3784.37 2152.89 3521.83 493.61 5298.03 42235.59 9298.76 6388.92 6520.96 3775.14 587.89 3084.66 3078.42 3987.81 3223.11 3426.99 4062.57 3624.54 440.1 2278.3 3284.61 4548.48 1261.07 2097.19 3210.5 1109.23 952.28 3168.85 3483.16 1407.36 4544.94 4048.52 2499.31 3672.29 4349.27 4706.6 2219.59 1970.67 2982.53 11116.78 3112.75 3485.45 2497.84 5195.51 2997.4 5269.99 3895.22 2963.17 1176.26 5180.98 575.75 2849.06 3587.61 3122.61 3299.57 4212.42 3624.03 3870.88 3128.44 1082.95 409.79 1565.71 2978.21 12389.2 1459.91 4539.61 4476.34 4528.48 4523.24 4458.76 4566.06 4537.75 4178.65 4488.32 13,14-dihydro-15-keto Prostaglandin E1-d4 1475.17 4258.06 12435.84 2968.86 7285.94 4219.05 4482.66 1496.77 4230.51 562.63 530.85 4370.42 2185.12 1602.78 7201.05 33092.14 16440.73 3548.53 3891.93 2010.7 4980.31 5981.56 567.57 3258.37 4338.86 7949.08 8890.28 2592.7 2810.06 5638.2 3088.72 3464.62 392.24 3154.41 4061.41 5092.7 8395.41 7516.48 1291.84 4249.99 8656.65 7228.11 7655.38 3673.97 5207.93 834.07 6627.43 1732.27 430.36 13570.67 521.48 6696.42 2017.48 4460.65 6597.41 10946.01 40935.12 2194.06 1520.13 10899.9 10874.3 2411.62 4202.68 13828.08 4672.93 6146.25 8866.54 988.18 1021.85 3666.7 12717.26 8170.34 6072.53 4235.28 6208.56 4780.62 2606.13 5537.07 7308.35 5963.46 5959.88 6186.25 6583.05 5210.69 1-Phenylpiperazine 3842.16 3565.93 3853.67 4627.75 4621 5401.89 6538.38 7803.16 3095.69 3233.63 6310.56 2679.22 2579.46 3684.47 3487.06 3594.31 3761.79 3086.05 3086.05 3118.72 4153.67 1497.83 2534.87 4301.81 4791.32 4208.4 3865.65 4201.01 3245.68 3913.16 3409.15 2924.68 2655.57 3364.02 4007.31 3458.44 3344.36 4008.02 3293.71 3938.47 3434.33 3298.76 3454.04 3414.16 3689.17 4353.36 3339.43 4226.44 3588.55 3739.82 2931.98 3338.57 3507.7 4090.1 4537.7 3116.35 3354.12 3464.92 3020.8 3391.53 3426.87 3497.77 3323.67 3602.83 3525.98 3842.79 4228.9 4529.62 3720.73 3840.96 2814.19 3558.02 3766.48 3352.56 4170.75 2460.97 6442.4 2205.22 2549.0 2678.01 2548.93 1347.92 2692.22 2115.96 1903.2 3353.68 2589.64 2538.98 2530.26 2438.74 3152.73 2312.27 2555.28 2643.32 2419.74 2427.37 2449.73 2019.01 2441.53 2491.44 3652.62 3868.76 3841.8 3814.91 3817.53 3894.47 3896.81 3818.27 3872.25 Val-Val-Asn 912.94 726.92 3209.41 2401.46 2726.87 2663.54 2911.35 2447.53 2639.92 1181.7 1841.83 3031.6 3133.27 3659.94 1942.7 1818.69 1516.23 2914.36 3125.48 1680.64 1777.74 1174.1 2532.31 4300.52 2721.3 2007.79 1066.48 3320.81 3506.8 4592.9 2124.24 2971.84 4822.09 2358.18 4602.23 1320.04 4007.11 7038.72 4071.05 4482.34 2163.13 1249.58 4174.15 3723.3 1925.37 2885.58 4173.43 4643.3 2827.93 5501.9 6967.84 6897.37 2468.39 1451.98 1458.34 1268.66 4157.98 4643.15 1330.55 1453.3 1159.36 874.84 6206.49 5876.38 731.24 4386.53 778.63 1209.82 2400.69 2728.01 3629.22 11230.69 3120.11 4081.39 887.79 1896.86 1877.88 2091.77 1913.13 1912.77 1932.21 1856.14 1872.43 1908.93 (3-Phenoxyphenyl)methanol 178.34 99.01 88.46 315.78 236.85 232.28 386.2 158.26 116.09 167.86 147.54 149.36 267.68 139.93 140.35 235.96 99.54 115.06 126.01 95.47 200.53 170.77 143.26 227.05 83.19 101.58 111.78 118.94 76.43 112.04 183.84 183.01 154.87 152.81 105.07 110.03 131.5 143.94 80.79 153.98 127.17 161.16 119.41 120.29 135.43 238.86 158.65 103.24 181.28 171.33 146.88 129.95 153.8 111.4 81.32 100.08 127.91 195.45 149.12 117.84 92.74 207.62 134.31 168 142.71 89.59 333.8 177.76 152.13 78.97 120.79 157.43 100.61 112.37 102.11 976.8 994.1 924.62 977.9 1003.28 1014.77 1005.17 1009.21 1009.54 6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile 26328.49 24144.43 19135.52 17170.77 25465.41 21326.24 19409.3 23728.57 24326.34 24714.01 19485.4 18370.85 15443.22 20276.7 23297.06 21747.29 19110.01 24411.23 20140.74 24158.15 23472.64 15178.57 14145.36 22148.11 26366.31 24865.66 28950.98 27242.95 24455.82 31471.06 26324.93 20529.31 21374.12 17710.88 16474.7 24401.22 26729.53 20161.99 23424.73 25377.99 30715.79 23172.57 20602.14 30061.21 22507.9 21256.47 23413.43 22699.74 22157.28 21810.16 22746.97 18641.61 16927.78 20160.18 22677.84 20731.93 14902.67 13405.79 23999.11 16608.04 9041.82 15582.07 22466.38 23679.14 24501.02 21474.98 25539.62 24048.8 25070.69 24174.97 28470.51 22388.94 26961.02 19751.02 22787.23 22849.16 22815.9 22848.9 22607.24 22593.22 22855.68 22593.85 22634.92 22592.98 Lys-Lys-Ile 848.66 960.99 2245.05 563.51 1962.12 6134.26 2660.21 8651.12 9946.43 5487.4 1573.57 7000.98 5353.47 1465.06 11008.87 868.72 713.63 652.96 4738.52 22383.04 5938.11 1511.54 1201.89 1030.58 1455.3 940 1086.22 3096.08 2261.98 5561.9 10143.67 8198.92 5718.01 2214.87 1883.91 12874.19 1024.91 829.76 2813.07 441.23 3953.77 5768.78 522.59 1385.69 1106.95 2897.33 5654.83 1401.01 2621.88 9436.42 3130.12 5030.19 671.13 1021.03 8201.87 7732.24 1080.9 851.44 8158.15 2799.92 867 1628.56 6371.44 2043.43 1578.76 9597.16 10236.72 2258.24 3771.41 3327.33 4165.91 1914.34 1902.12 3771.33 4725.82 3131.7 3274.58 3111.01 3169.86 3063.19 3323.8 3261.09 3120.14 3275.08 Phe-Phe-Trp 15048.12 29191.1 7131.18 6878.06 27317.88 30295.69 15978.75 27888.74 37085 20718.68 19242.47 16834.69 11438.02 18569.28 19957.36 24635.88 13202.24 29338.35 18676.27 42655.95 31463.87 42976.67 19381.48 19668.46 36334.52 34261.95 10930.23 19293.43 48433.96 19464.26 32746.16 28729.83 5397.46 29113.73 39550.15 34180.13 15677.49 26289.98 10144.22 17609.35 34147.36 77822.8 22261.26 17591.12 33952.51 13672.4 45905.06 16775.42 11142.74 19366.69 29513.39 13474.93 10683.31 17561.27 16131.52 26246.98 6983.51 11177.62 19375.34 12340.68 6646.07 6473.7 20327.37 18277.36 15058.47 22154.96 37974.29 19299.4 23348.33 25906.07 27747.45 26224.49 24590.06 17456.14 21338.9 15949.13 15834.42 17099.2 13222.3 16108.09 17274.85 17064.89 16250.58 14712.73 Tryptoline 336.08 3640.43 9390.14 7703.57 4489.06 14182.94 11401.73 3930.93 3973.02 4757.41 551.1 1098.23 756.59 2813.57 1117.68 10371.51 9374.51 2704.86 3216.21 28540.37 2060.39 11441.87 6868.66 8940.84 1498.71 526.56 5190.49 5567.26 13860.87 5205.32 588.14 20539.8 12966.84 13030.71 11790.22 676.81 469.11 20544.42 9824.77 2075.5 3042.77 631.91 2471.2 608.4 1236.58 432.04 4148.28 1532.03 543.11 13196.41 2439.39 868.5 415.44 2320.37 725.48 9169.5 4541.55 3459.59 1266.31 4554.79 6308.52 4781.22 1298.51 12762.24 15820.86 727.07 3400.27 771.56 3902.74 1588.55 17550.76 17555.73 9871.5 23162 14611.67 7027.56 6879.03 6877.2 6906.07 7028.07 7191.67 7040.64 6370.26 6959.65 1,2-Diarachidoyl-sn-glycero-3-phosphocholine 3144.22 2658.53 1242.06 768.06 2936.96 1836.44 4426.82 8145.63 4797.04 6446.66 4586.58 5360.44 3833.94 1020.01 3714.22 4551.03 1998.93 2619.16 3983.05 3367.91 2919.3 10333.69 3232.45 2186.58 10200.36 4681.22 5450 14765.86 7007.06 4577.61 3900.03 4145.24 2901.45 3053.14 1524.62 4018.01 538.64 2609.25 723.41 3811.71 2354.21 3349.68 1239.72 765.16 1734.38 6173.07 983.01 1946.39 2282.46 3922.76 697.37 3511.57 1666.91 9733.56 1678.18 965.52 2667.74 875.53 3558.23 713.21 2529.48 6928.86 3835.61 7411.75 2872.89 4066.07 2796.92 2180.05 3713.3 3481.51 930.54 2076.22 1373.04 4463.12 2584.48 3080.17 2502.16 3023.32 2842.77 2273.76 2292.55 1083.83 6996.63 1927.28 3761.61 3448.47 2020.88 2712.06 4532.92 3099.36 1350.93 1783.47 2808.55 4202.28 2276.49 2545.3 1966.84 3716.1 4143.47 4237.2 4210.05 3978.73 4292.37 3721.91 4289.06 5302.89 DL-alpha-Tocopherol 1700.05 21307.07 22990.47 32481.44 9612.73 60707.95 17029.72 30498.89 15714.6 35735.24 13085.44 35257.66 44908.78 97288.35 73202.82 23659.54 84810.16 66866.64 54318.14 101792.98 76765.44 27362.41 595.19 76567.01 1180.24 54712.58 31258.74 26968.99 37920.67 54788.59 105166.36 126042.43 16529.73 76870.22 16666.84 77152.61 46725.21 49140.97 37507.95 47373.57 85937.68 72675.71 57660.42 57348.53 30686.28 92779.44 132102.29 85172.64 45962.2 90156.33 30002.86 150689.61 97996.81 19013.95 58900.99 117718.75 82902.53 81145.01 51281.76 65161.87 4334.45 48254.48 42667.34 10196.85 36758.68 41365.12 94041.17 50089.27 47063.95 41638.08 26422.64 47220.88 40523.09 22438.43 101971.04 80317.9 79663.7 80995.91 81621.41 77217.9 72688.51 80888.76 71711.4 79483.52 Ser-Met 1872.78 173.64 182.55 44.69 153.9 14271.37 3718.55 152.42 247.19 9515.11 34.31 68.47 29.32 30.77 457.03 138.15 142.34 175.85 125.64 65.82 124.48 7292.37 32.41 54.03 179.93 11581.29 515.98 104.43 203.54 113.17 223 154.86 3649.32 1532.61 158.05 280.66 190.61 12668.25 75.47 105.9 423.77 2338.88 160.28 79.67 218.81 57.46 240.43 172.58 121.87 170.27 2317.19 58.79 134.21 157.06 1253.89 154.34 76.53 41.26 266.16 14381.14 115.21 94.56 140.1 154.58 158.52 1345.19 218.28 141.2 102.31 370.83 68.42 7346.68 67.93 160.59 188.91 2958.34 3044.11 2956.5 2940.55 2974.12 2973.97 2956.24 2956.42 2962.93 Ala-Met-Lys 174.61 88.21 184.29 12820.82 62626.45 74579.73 47833.98 1430.56 205.73 743.61 292.66 714.73 1340.52 526.88 559.76 5409.39 910.92 410.61 884.5 587.67 1160.52 1599.84 212.82 435.21 743.59 439.61 803.42 340.59 307.53 409.72 912.83 1577.59 896.74 265.8 296.41 517.52 231.51 1192.72 482.68 376.16 28413.02 2591.11 924.85 808.47 884.62 456.1 655.49 1213.68 806.72 2173.68 1652.67 207.53 1250.89 1520.39 1185.97 95.39 202.31 260.01 1070.92 1700.53 349.54 651.15 291.3 769.8 956.83 1334.85 242.12 475.83 301.81 396.76 149.6 572.31 408.82 730.41 1378.96 5133.72 5184.51 5668.49 4700.44 5387.94 3878 4255.52 3891.98 3858.74 1,2-Distearoyl-sn-glycero-3-phosphocholine 12138.48 7074.45 15707.43 12380.34 9541.84 9069.88 5779.82 951.3 950.76 322.61 882.35 313.65 8424.45 304.48 412.69 6343.32 21197.63 6276.88 10442.02 430.78 6443.62 8800.59 1044.26 4252.74 428.09 4610.07 4812.96 5236.08 4827.27 2769.29 4165.73 567.46 5388.34 10531.64 16163.74 8429.37 7639.25 6321.98 6911.27 7550.81 6359.85 9089.37 10881.04 5242.1 4706.64 7797.99 12209.44 13511.15 8354.4 8116.82 15774.4 4981.56 7508.89 56631.92 28054.31 6662.62 16101.82 6359.02 24777.01 4339.48 9023.01 5376.33 5972.86 8794.39 5991.63 10235.56 3511.34 5310.24 4659.36 5956.66 4305.32 5295.58 7037.99 33780.46 7917.34 4990.15 27877.61 11429.0 11923.55 6569.69 4538.41 5191.0 1840.98 3960.01 9044.16 30656.41 7437.31 19297.2 7575.5 9482.25 44141.91 8934.42 15705.49 25659.96 21433.32 29679.12 16424.87 29198.02 30040.88 60024.2 12979.71 12762.36 13006.01 12861.46 12857.88 12864.61 13009.86 13004.96 13114.35 Gly-Ala-Cys-Lys-Val 8185.75 7398.85 13106.12 9009.7 15841.5 8338.79 12118.47 9033.16 8674.13 24022.85 13996.52 7286.36 3375.97 8284.06 8175 9402.47 25565.81 7854.25 14963.2 9809.41 9458.79 7823.7 6655.03 7679.25 7624.59 10952.8 8650.69 10055.24 8101.88 8997.59 8287.68 8348.06 8774.29 4139.18 8221.51 9398.33 6451.22 12999.87 2758.8 7612.64 11891.08 9550.5 6136.72 10710.45 16105.47 10257.26 5131.58 1975.02 1751.6 9148.17 21950.02 8056 11758.73 36257.96 4211.5 6192.66 21473.85 3071.02 11900.06 573.03 9073.11 3257.97 9813.73 3206.74 5062.65 7972.94 5518.64 9316.17 6864 5408.07 6331.74 10433.43 4661.84 7771.16 6797.83 10244.72 10583.59 10567.68 10210.15 10602.61 10214.11 9950.98 11498.93 10328.74 3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid 4500.18 3009.2 3868.62 8031.11 6096.85 5074.9 4821.47 4326.5 4896.56 2304.14 3678.38 5309.57 7150.29 7508.17 2931.04 3308.18 1965.04 1503.8 2817.02 4627.63 10886.2 1446.91 3523.48 3769.22 4816.15 1224.02 2430.8 2238.13 2387.67 6583.68 4634.2 1017.88 507.04 3947.55 3456.17 3664.32 4614.88 2660.56 4149.67 2580.38 8204.39 5060.66 2397.36 8662.77 4028.9 5543.99 3725.35 2386.46 4882.63 3613.61 5012.91 5187.61 2002.08 1718.39 4597.51 6639.23 4692.22 2731.55 2402.62 2505.08 3048.77 6134.95 5161.49 3537.91 1946 3695.8 6540.09 2992.64 3538.67 7221.46 2870.8 2808.21 4029.38 3622.01 5102.09 4595.33 4701.2 4549.43 4518.85 4594.76 4597.31 4540.8 4539.78 4538.73 Lumisterol 3 1196.26 1790.52 1069.49 1524.33 5330.8 5905.17 897.88 1844.64 1867.81 2035.23 583.16 2632.95 766.28 2006.52 2677 3720.07 1407.57 794.78 976.59 713.83 3504.7 396.62 449.16 595.28 433.35 2834.37 728 1541.07 2931 1791.3 458.61 6089.15 389.43 4647.72 319.22 1245.41 1516.61 4385.26 1310.06 1009.93 2030.78 6248.07 1277.15 1850.55 606.94 763.64 2563.57 2661.27 878.39 5936.56 1482.1 783.56 1431.31 3941.57 2065.91 1545.59 1177.46 1023.09 2084.21 2341.17 1046.1 861.42 1434.39 768.15 1200.24 4495.17 2222.43 1414.4 1495.7 3113.77 2777.13 2035.84 1396.42 2606.66 4432.44 4088.46 2857.9 3263.3 2781.9 3060.68 2900.11 2317.9 3141.86 2726.68 (4aR,6aS,6bR,12aS,12bR,14bS)-2,2,4a,6a,6b,9,12a-Heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14b-octadecahydropicene 12211.27 12621.02 21443.64 21998.69 14484.78 22155.42 10089.73 11931.89 16603.67 7452.86 5432.68 2710.81 11789.38 1916.99 10960.57 22478.84 559.06 11603.94 20982.19 21780.54 14566.6 10407.74 10786.77 9505.45 13525.11 14118.77 9232.33 14178.11 18714.77 14536.73 11711.04 15045.86 8445.39 17092.54 14276.95 10979.73 10031.45 2415.71 8823.96 7226.4 9323.04 11242.98 18267.09 9595.53 13541.68 7844.06 18122.28 20207.17 12746.47 12438.09 4570.75 9556.37 14187.58 14467.06 11274.67 11598.37 15431.06 12441.22 6122.89 9778.4 12345.73 4521.47 16712.23 20880.83 13133.22 11585.78 11043.65 12415.64 9437.14 13738.08 11057.48 13780.86 6431.88 12936.65 15881.04 11133.45 11402.95 11417.9 11427.69 10339.88 11405.03 11125.32 11763.38 11103.59 N-phenethyldodecanamide 4721.73 2191.38 905.8 2428.15 978.81 2012.64 1019.62 2808.39 7467.2 4759.42 3437.53 1580.79 7857.49 7026.1 6981.45 3339.25 2545.08 2933.81 2059.46 1945.25 1104.41 2220.03 2904.3 6608.51 9144.2 8966.8 7610.65 4674.94 1730.73 828.1 1514.36 445.66 3056.04 2004.63 1636.87 2205.48 8028.99 827.37 6369.52 11198.58 597.91 1662.89 2339.83 5943.76 3461.8 4145.55 2284.74 909.08 3319.26 2557.19 4356.07 3002.28 5636.35 3622.89 13964.62 3119.8 1993.4 2279.9 1666.57 496.34 2058.77 1607.8 3802.81 3508.61 2203.87 10551.78 4241.09 4206.52 4973.75 2983.98 1412.59 6153.74 5750.26 4596.14 3499.36 3643.69 3424.28 3645.63 3726.47 3375.66 2883.08 3407.97 3731.5 3613.69 Fenarimol 19081.74 8180.22 3177.56 3562.7 14489.63 10521.25 7193.6 22801.72 24262.99 10973.55 7463.93 7666.11 579.37 6210.5 18485.79 10820.37 8049.66 16666.85 9559.41 25593.58 18064.93 4305.89 2858.87 8696.48 18532.11 13939.21 6613.76 9837.88 24199.92 9952.38 19551.27 9983.95 14180.22 3389.14 5597.69 16700.77 22704.4 10872.6 7311.62 9953.49 17493.74 16864.51 6205.01 6779.68 17883.99 3826.32 25175.56 13944.98 7736.81 15813.9 11600.35 10028.8 5209.55 6071.86 14916.93 10224.78 3299.8 3671.17 18414.58 4438.86 5199.72 3521.44 11594.94 8422.51 10976.22 14574.03 19542.73 9080.31 12859.19 20534.75 23738.75 11038.57 15875.26 7050.06 9366.01 14529.39 14103.15 14056.74 13838.42 13935.43 14123.31 13584.71 14118.03 13865.77 3-[4-(Hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methylethanedioatepyridine 2670.62 13846.6 3387.07 3032.26 5162.28 2751.12 9146.98 7503.62 25990.04 11524.97 5926.24 19699.85 13204.67 15502.1 21999.71 11168.83 10437.32 26897.42 16409.13 39507.07 9604.93 4374.74 6639.72 6885.36 10948.45 6179.69 1358.92 1791.47 29752.96 12155.81 49049.05 19783.16 12166.25 4246.84 2665.78 29432.06 16449.92 10623.4 4536.31 1280.96 38178.15 18528.4 10217.2 10767.44 36039.72 4650.29 33783.59 17021.9 7134.05 26420.48 13680.2 19520.61 6893.3 9458.4 11323.72 18997.4 7656.37 7368.55 13048.14 4669.4 4864.72 3420.78 8223.9 10767.52 15773.87 22209.77 36069.31 8385.41 11357.65 13225.32 16696.69 13196.54 6233.81 6795.75 13198.79 16492.84 17038.29 16909.82 16647.55 16559.56 16919.38 16632.01 16842.34 16902.7 Phe-Ile-Tyr 15151.09 11326.54 2609.68 4404.98 4537.75 40325.9 23756.54 4514.84 1567.83 2694.31 7409.73 5840.74 3797.08 1492.97 12633.01 3989.94 4385.03 3758.71 9301.57 5636.76 7508.18 1436.17 1000.4 539.1 6882.76 8004.96 1577.02 3020.43 2003.8 8473.71 10792.33 9111.2 3817.12 2111.84 3163.94 7275.26 6128.5 5023.65 5324.38 1171.93 9181.26 7398.22 5415.42 5371.69 4126.41 5946.87 4878.32 5309.69 8256.87 7912.15 5016.05 6077.31 6005.76 3272.87 4698.19 3937.37 2643.22 2840.25 5700.92 893.22 2220.41 1260.57 9379.01 5228.69 4049.71 8419.49 7758.22 3084.98 2519.66 6993.68 3580.69 2178.95 4955.23 15777.68 4749.16 6216.57 6010.93 5839.93 3519.04 6219.11 6282.93 6775.23 5774.99 5125.73 Ala-Glu-Cys 14784.01 12819.95 2044.52 9889.1 12193.41 4767.77 7773.56 10548.68 9259.29 9762.77 6221.43 6108.61 5750.52 8139.54 9312.13 10563.27 7626.04 7810.76 6753.78 6795.36 8007.95 5529.32 5378.91 9996.18 9061.75 7831.91 12583.37 12338.26 12673.2 8666.06 12497.99 2576.85 5167.98 6999.46 1899.57 9934.12 4822.84 10253.78 9607.03 10820.19 6266.66 8723.29 9375.25 7508.33 9836.95 8537.17 1996.99 8817.59 9322.06 8839.7 10137.7 9089.77 8854.37 4231.4 9162.41 10494.2 10649.6 9768.4 9523.65 9434.87 10223.1 2177.54 2971.58 9779.08 8778.15 10878.93 10654.6 10147.6 12131.97 9326.79 10223.27 8652.61 8242.48 9809.97 9124.04 9587.85 9793.66 9577.55 9276.15 9287.88 7489.28 9542.02 9793.95 9082.46 Lys-Phe-Arg 1216.33 765.72 1694.74 716.67 539.15 1977.95 5048.98 5261.32 4567.56 915.54 5459.61 1062.63 853.7 2829.1 772.44 4445.16 1145.44 4266.31 1605.09 2075.35 6434.16 1623.78 640.72 855.74 1970.36 885.66 802.2 676.27 2340.12 1609.04 747.62 6130.85 1800.46 3253.34 3515.83 4222.4 4273.21 3819.46 4291.07 3795.57 4301.81 5474.31 3547.78 3108.41 3469.02 4733.05 3554.96 5341.78 4219.11 3138.17 4463.65 4687.12 4050.35 2828 5169.66 2765.95 3896.02 4426.88 2825.61 3471.52 3011.36 4427.31 4364.49 5907.03 3051.57 3754.01 2761.15 3482.29 3285.91 2924.56 6291.48 3719.34 2828.59 3622.1 3079.07 3575.52 3810.17 3794.71 3670.41 3807.29 3620.24 3598.44 3631.76 4257.04 (1R,2R,4S)-limonene-1,2-diol 4621.58 3226.84 3890.51 4665.57 4336.31 7376.79 4406.2 4138.06 3315.81 4083.25 3911.92 3289.47 4189.18 4348.23 6022.91 5971.36 4104.52 5845.33 4122.64 2908.96 1954.47 3938.03 3084.77 3798.4 4007.86 4495.19 5879.79 3704.37 4019.22 6467.16 3204.47 4883.08 3716.46 5140.97 4569.58 4652.25 3892.09 5645.33 3603.01 3862.21 4167.72 4604.75 4030.65 4450.35 3814.58 3973.79 3989.18 4674.12 4545.21 4444.02 3491.02 3890.05 4334.56 4690.71 4531.08 5525.88 2842.15 3156.78 2598.55 6799.35 4642.99 3671.41 2388.88 6215.47 2283.45 2434.88 2278.39 3075.39 2867.38 3301.98 3659.97 3349.95 2866.59 5385.12 4531 4523.66 4546.81 4488.69 4491.49 4485.88 4541.31 4637.17 4314.38 4483.57 Beta-alanine betaine 2110.95 2950.31 1052.35 2121.73 2855.71 1047.64 2209.67 6013.66 5936.45 2466.46 2102.52 810.6 547.19 1557.69 4718.03 1926.86 669.11 2023.51 1006.6 3566.72 3905 2972.48 1120.71 1740.34 4305.85 4855.75 2829.35 1862.26 3824.51 884.07 2750.89 1933.07 3715.18 933.7 1255.24 3687.27 3299.17 2146.47 948.02 3237.45 3106.74 1795.53 1965.74 1087.5 5311.5 2603.91 3247.53 1893.4 2000.6 2183.44 1294.53 734.38 1729.64 1767.21 2601.28 1216.24 1762.79 1186.25 3283.47 1827.15 963.3 2445.6 3344.08 3605.63 3359.96 2845.46 3612.91 1878.24 1287.08 3379.54 5186.7 1882.75 2604.39 3031.02 2025.23 2539.57 2583.14 2706.34 2544.03 2056.11 2546.43 2626.09 2611.57 2723.46 5-Aminopentanal 2723.32 4574.28 1583.15 2618.07 5329.78 3022.97 1581.65 5848.08 6037.27 4091.08 2784.53 1484.78 2655.08 1095.74 5728.08 2611.23 1554.06 4502.72 6844.27 1641.25 2752.02 1354.05 1474.25 2842.56 4887.04 5016.02 4184.54 1319.49 5076.38 614.32 964.48 3555.62 4451.41 3130.82 4851.89 3366.03 4118.79 1103.3 1614.95 3426.56 1331.69 2477.33 4797.07 2007.39 2655.92 3873.12 3729.41 986.51 2166.73 2850.56 3130.11 2471.61 3125.21 5346.01 3381.29 5876.03 2469.24 3403.17 3923.54 7482.03 2849.46 1618.54 4015.5 2958.77 3574.15 3389.93 2446.33 1794.86 2555.76 5282.05 5106.32 2597.24 3275.86 5379.15 1745.35 2698.45 2787.7 2715.84 2710.23 2485.39 2741.66 2870.71 2765.53 2679.37 D-ribofuranose 5-phosphate 7682.51 9112.52 7330.94 9712.85 6543.67 3577.43 5437.14 8733.81 7401.14 2986.12 6963.13 5993.1 2086.82 7155.68 11015.14 10087.54 7594.45 9570.53 1982.14 4128.9 6297.83 4075.23 3609.81 7387.05 7817.57 1709.79 5511.05 5856.59 5176.18 6374.56 7567.5 714.73 2694.4 2042.3 4605.04 6395.31 8820.19 4487.76 8082.53 7129.11 5093.18 559.87 5680.52 7342.78 4849.87 7484.92 11607.57 8006.42 5291.19 2666.66 1858.14 8562.49 6204.44 7560.59 4185.17 10825.11 10714.37 8244.73 7641.98 5049.97 8179.26 8051.91 12753.43 13170.29 6940.89 9738.36 2754.33 7021.56 8852.54 6569.11 8925.22 6208.34 8100.99 11798.07 13314.59 1490.56 3100.09 2229.64 6312.47 6956.44 1278.92 9286.16 18617.68 7971.51 14558.47 7144.51 17932.14 624.65 4051.88 3485.02 8158.7 11453.84 13236.75 1702.67 19619.83 4001.61 6342.08 6357.26 6410.81 6404.3 6753.65 6546.61 5355.83 6335.89 6553.76 2-Oxosuccinamic acid 3837.25 1735.82 4300.94 4378.46 3084.14 4271.56 1693.79 4383.88 4906.53 5094.82 4900.95 4058.41 4423.76 3789.91 3637.24 3711.11 4626.53 3810.62 4923.82 3456.45 3954.79 4577.81 5461.48 3427.07 3546.71 4359.83 3619.91 4436.94 3947.06 3836.73 3078.48 2781.73 4598.83 4054.3 4966.41 5191.87 4792.66 4974.76 5254.29 4276.93 3907.17 4034.35 3786.51 4361.66 3467.25 3428.81 3822.96 5175.04 4780.68 3603.38 3953.27 4191.04 5796.79 4034.15 3763.22 2647.8 4215.23 4865.87 4873.03 4882.88 4868.86 3718.59 4446.58 4751 3950.77 3883.11 3523.19 3321.44 5116.04 5768.24 3882.72 4881.19 4842.39 4056.59 3896.03 4319.5 4286.56 4313.92 4375.69 4497.3 4314.36 4371.3 4375.17 4313.26 1,1-Dichloroethane 69521.76 103311.4 105274.26 100468.05 99092.08 79946.88 126521.08 109318.42 99439.89 88999.01 90367.26 96858.14 89937.62 100195.73 113971.76 77524.95 94864.96 77278.52 113516.44 111447.25 86081.4 95304.78 77392.1 101324.73 68685.04 103812.08 74266.1 94592.04 102746.66 88269.7 99697.38 97473.96 85471.09 70641.08 90523.16 83768.06 87901.11 91007.87 91962.49 92766.57 100915.69 116073.13 100995.69 117342.21 93813.99 106090.54 93109.31 98144.66 114751.29 84904.22 92491.55 107868.75 98822.25 107201.46 106580.78 108424.17 96709.88 94038.52 78956.74 93743.51 92409.58 111414.67 74227.35 99647.2 114464.98 76893.23 103091.73 107777.35 92105.91 115016.86 112600.87 77626.07 97729.76 90188.88 88369.37 96806.48 100557.43 83411.71 96637.34 94397 94433.91 96657.7 93258.61 96653.59 Quinaldic acid 6913.23 1881.11 777.65 1207 3470.17 662.25 1377.48 7849.65 5532.47 2786.08 1259.26 1135.3 635.73 2544.82 5422.32 3567.46 1735.53 5651.47 2580.67 5600 4397.43 560.49 682.43 1927.34 2754.41 5410.81 2332.07 4930.4 8478.66 4005.29 6196.4 4558.18 4127.68 901.32 1193.08 5670.09 4835.42 2260.24 1755.88 3599.91 3466.6 7580.49 1279.87 1211.54 5004.06 1336.04 5873.97 2158.33 5394.29 5122.48 3460.27 1229.78 728.1 1441.35 3686.91 1909.53 523.39 750.99 3217.2 504.91 772.99 1312.84 1808.24 1306.94 1380.01 5154.99 1615.04 2849.59 1338.71 5171.52 3850.4 3324.68 2746.61 1111.43 1578.62 2610.4 2770.59 2569.29 2628.62 2762.35 2780.12 2729.07 2579.01 2581.07 2-Hydroxytrichodiene 3727.85 3178.77 4154.05 4277.82 5530.97 3806.14 4778.29 2965.02 4502.01 3387.55 2725.66 3435.3 5719.71 5428.03 4304.95 3787.99 5146.12 4638.35 2911.85 4520.43 1376.84 4971.87 2133.97 4392.34 4156.85 2593.01 3779.97 4734.5 4966.82 4258.69 4644.23 3442.98 2667.27 3099.74 4639.69 5559.19 3258.68 2847.98 4339.23 4997.94 5004.88 4838.91 4642.27 5670.83 4145.73 5773.82 4546.22 3886.11 1098.99 4507.83 3519.73 2157.81 3439.16 6063.13 5484.18 3216.86 3721.07 4427.68 3953.54 5195.55 3417.91 3961.66 4390.67 5076.9 4881.09 4053.04 3238.72 4875.16 5639.62 4593.9 2545.45 3679.43 5082.67 5554.33 7536.42 4687.65 5002.97 4836.07 4727.71 4739.7 4755.66 4082.79 4836.16 4778.23 Fluorene 8038.37 6469.37 6020.67 6643.05 4411.99 4427.37 5054.01 7358.72 5941.22 6037.07 6162.08 4090.57 4252.14 5324.12 2954.23 5641.87 4762.49 2279.4 4900.55 2425.86 6964.77 4144.11 4182.91 4589.37 6087.1 5337.93 6004.24 4508.87 1182.8 4293.49 3378.93 4321.93 4726 5853.45 6388.57 4125.04 4815.73 4040.9 6029.78 8172.33 4593.35 4484.19 8690.51 5713.58 3708.04 2731.5 3777.56 4241.14 5248.92 4678.52 3953 3626.44 6453.98 5525.28 5068.99 2845.5 6267.12 6680.22 3180.42 5113.14 6041.93 5598.14 5225.54 3834.97 3691.55 4426.94 2094.55 4322.3 5517.38 4045.46 4273.59 3154.34 5021.96 3697.63 4288.16 4456.43 3586.6 4622.22 4261.4 4285.69 4255.94 4275.35 4460.11 4483.65 (3Z)-Phycoerythrobilin 2174.66 1003.16 3592.68 4372.92 1340.6 3375.5 1046.08 978.71 4236.92 1839.97 2380.54 782.69 829.96 5794.75 1980.57 1504.31 2215.15 1018.62 1514.52 2104.82 1289.55 5473.64 2382.79 2559.21 828.69 2690.06 964.88 1426.14 1600.92 2065.12 1794.18 561.82 1291.02 2347.47 4262.76 624.72 3480.84 4446.95 4203.5 3751.15 1442.6 1047.61 2175.61 2253.38 3731.62 3330.08 3134.37 2812.99 1222.97 1292.18 1958.93 1784.62 3984.89 2722.78 2759.01 2490.73 4051.71 5923.9 1951.71 2524.53 4419.52 3576.71 3875.54 5920.43 2676.85 2554.72 2841.88 2238.51 2152 1194.47 3753.59 1881.57 1756.08 1077.22 3854.49 2330.68 2077.47 2637.41 1972.53 2287.29 2133.59 2565.07 2444 1874.11 4-(beta-D-glucosyloxy)benzoic acid 1143.11 1420.14 1394.94 3764.31 2320.06 2540.81 2653.91 2969.38 4492.41 2922.02 3559.37 4249.9 5423.05 3305.68 3154.18 2515.1 3280.77 3459.13 3507.15 1514.08 3506.89 4222.39 5095.96 1194.12 1994.27 627.96 3608.75 3257.8 668.43 2626.01 1109.81 1028.37 2161.8 3416.85 3156.47 3093.84 2855.73 2621.46 3456.12 2731.37 6500.15 2807.32 1974.24 6171.32 3217.18 5208.23 2278.05 2192.02 6193.52 3122.54 2476.79 2418.59 4866.97 2830.95 3006.29 2507.92 4915.93 4000.23 2737.89 3323.21 3023.7 3452.88 5205.8 2829.34 3916.53 2978.65 4213.73 2384.59 3162.5 4193.51 1707.08 4550.49 5467.04 2293.6 3660.26 26150.12 22184.07 25465.99 26651.81 26049.95 26844.56 26714.69 25292.86 23939.41 24986.85 23403.16 25897.66 24050.93 25034.35 24871.27 14316.52 26049.5 26529.38 26739.9 23026.78 24081.2 22973.48 23667.78 22396.16 22776.97 4048.78 3856.97 4088.95 4029.83 4386.14 4068.81 3382.54 3856.54 4067.01 1-Behenoyl-glycerol 3902.91 4488.25 6302.43 1790.15 2828.07 3262.54 2466.88 3833.65 1592.8 1473.97 5611.04 4407.13 922.69 8293.14 1651.02 1994.25 868.63 3712.87 5173.18 3338.6 2367.07 1167.63 4332.62 4200.59 522.37 599.32 5632.01 8149.78 2050.01 9598.74 3863.43 4485.21 376.77 8443.7 12040.28 4727.96 11113.3 9251.93 16101.88 6649.5 843.62 934.54 10735.63 12906.37 3809.4 1942.15 2029.96 6416.03 5105.85 6125.5 10353.62 3466.24 8627.25 11911.99 6634.9 6807.22 5408.09 2868.28 3908.15 8825.08 3761.94 3481.83 4371.4 5014.75 6811.23 6832.64 9000.89 17896.68 13580.64 5279.31 1498.05 5114.3 10232.27 3789.25 7964.88 5307.46 7113.64 7178.26 4222.98 3364.76 5278.25 6215.5 6012.22 6206.65 N-Cinnamoyl Serotonin 2085.74 1772.23 3754.45 5986.64 2502.49 1711.16 3888.16 4058.89 3654.3 11079.65 6779.54 4989.5 4049.09 7988.3 2061.2 3685.41 3733.16 2687.56 825.76 1072.92 2648.86 5206.43 5485.75 6565.62 3336.49 3315.32 3268 6525.03 2340.17 1570.88 1540.02 2348.14 2959.03 4046.19 4951.05 4663.77 3408.26 4493.64 7348.43 6987.71 2497.52 1748.73 5454.96 6348.99 2352.83 5830.74 2044.21 3271.4 5796.15 2781.01 2081.11 4303.18 4903.8 5291.09 6680.8 3710.01 3028.22 7917.29 1835.58 4261.95 4772.57 5327.07 3857.2 3006.31 5840.37 5071.26 1494.53 4783.66 5319.57 2427.26 2802.15 6335.01 5322.69 4069.59 4845.7 2816.02 2727.61 3010.69 3012.44 3061.77 3036.04 2804.02 1810.44 2660.69 5,5-Dihydroxyleucine 5624.08 6310.16 6209.81 6397.38 6158.32 7862.17 5918.91 7036.36 6085.72 4782.85 6501.24 4558.07 11293.15 6684.63 4906.03 6394.63 4223.07 5881.99 4947.37 9464.63 7028.31 6161.29 5463.75 5283.54 4977.95 5697.62 5184.24 5556.82 5818.2 2488.67 6381.51 4839.69 4039.6 7900.79 5864.43 4700.57 5607.23 5503.37 7180.22 5322.86 6215.03 6255.56 5737.43 8057.68 5274.51 15549.46 5639.89 5747.06 5623.92 5785.3 7729.48 5879.01 6089.54 5918.36 3652.4 5211.04 5669.81 5758.5 5753.36 5106.64 4215.52 5547.12 6163.87 6010.56 6186.75 5400.71 7879.44 4642.25 5120.27 5421.72 4723.72 4996.81 11193.87 7100.02 6814.84 6388.29 6166.52 6495.65 6496.39 6394.15 6466.88 6394.4 6503.54 6388.3 [(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] 22-methyltetracosanoate 10311.65 1628.21 2410.97 1603.96 7288.38 3235.23 3209.62 19962.65 21233.76 3795.89 7175.74 13296.96 3619.79 9666.19 6433.59 12041.49 3826.96 3939.46 13398.37 1764.5 7169.6 5319.57 1412.78 2758.35 8492.61 10163.41 5850.75 2418.11 9418.87 2019.04 6875.48 11640.98 9881.66 20802.7 11926.41 12752.98 7876.76 4118 7765.72 6066.15 2401.53 15757.99 4495.24 7841.73 18742.05 4679.96 24728.82 6935.14 18962.2 22961.7 15323.57 16014.82 4237.2 18473.22 8229.92 16606.53 22104.03 7547.48 8725.91 3343.09 15175.46 14050.93 17413.78 8276.69 4181.21 16498.94 4545.09 10962.74 5329.27 14107.81 9668.99 4411.29 5124.11 4824.4 19029.48 11158.81 14719.28 9177.72 11255.81 9996.72 10856.6 12325.3 11484.42 12448.61 (2S)-2-azaniumyl-5-(hydroxyamino)pentanoate 3642.08 2338.5 3922.4 3348.3 4174.77 2340.6 1881.54 1026.38 759.29 2445.24 1691.56 1614.84 2343.23 2203.4 3523.05 2454.79 2619.54 1189.56 2914.65 1942.23 1798.4 1091.38 1016.04 3750.66 3980.52 4075.46 2794.32 2961 3272.05 2412.23 2189.7 2744.22 876.02 3886.75 1835.73 3022.32 2422.66 1401.03 2850.11 2561.8 2543.19 2775.85 2990.35 3311 2732.39 2553.32 3709.6 3088.06 1209.53 1414.3 2626.31 1702.65 1823.25 2342.14 1371.27 3081.86 2999.52 2848.15 2725.84 1579.42 3493.49 2562.29 1993.09 2743.77 2996.62 2076.28 1805.11 4228.4 1817.99 2608.97 2978.83 2084.61 1591.52 1999.61 3185.48 2984.42 3011.77 2944.93 3108.33 3072.4 2987.67 3042.27 2983.78 3040.12 1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine 764.53 895.57 901.39 348.57 1563.84 1160.6 1250.28 1636.98 1321.39 1233.08 350.49 365.13 1241.46 326.77 1515.65 1010.44 824.26 2215.81 2147.68 833.81 884.33 784.6 504.36 650.22 1238.72 893.91 646.08 747.08 911.61 515.49 1302.46 2314.13 1013.46 815.4 1082.1 1612.57 2418.67 2324.1 1910.74 2015.35 1355.92 1845.92 1400.43 410.52 742.62 1547.6 1442.66 1335.57 36444.51 5085.25 1458.5 2946.49 1963.08 1721.85 791.17 2206.87 987.29 762.45 741.36 1023.78 1744.12 1603.78 1196.43 2013.24 2926.26 631.12 963.85 854.77 2287.37 1815.22 3489.01 1037.28 12516.49 18506.26 5112.24 2720.19 2630.36 2193.85 2846.83 2583.9 2633.47 2687.49 2560.62 2558.16 L-rhamnofuranose 13723.65 10082.15 10833.39 12646.62 7644.11 12533.2 10947.89 6636.69 15233.92 13769.95 8414.17 7566.08 7304.33 14031.18 10027.76 15445.23 11686.43 7820.94 12288.91 6826.88 9922.77 13213.96 7377.01 12447.63 11438.16 12161.26 12671.81 15925.92 13041.85 14321.99 7817.03 6154.77 11259.97 6529.49 10366.35 14126.89 14019.25 14305.35 11364.28 13970.17 15029.74 10033.89 14027.25 12498.06 9375.03 10807.38 8346.42 15004.53 7078.27 7962.59 8072.83 7761.28 15236.6 11497.61 3646.07 6209.91 13747.47 15364.63 10731.14 14850.16 8866.93 4704.99 12183.63 5991.38 7035.25 6543.02 10113.3 10292.33 15615.34 1904.97 12874.05 14362.49 15343.06 5353.61 5526.55 10655.1 9971.45 10056.17 10018.24 10676.5 10160.99 10480.37 11540.88 11103.34 4,4'-Diaponeurosporenic acid 1327.94 467.53 6452.31 1171.47 5087.45 5234.53 11931.87 2440.21 19423.74 1415.06 11839.49 9063.4 12198.91 769.39 7125.29 8950.56 14334.15 13072.12 474.73 9362.81 3371.19 14143.7 12169.79 6276.48 1046.73 1086.77 11382.63 9575.88 7542.84 12999.69 10257.76 6261.11 12919.31 17377.03 9818.64 21980.64 25418.03 11254.89 22484.99 19314.9 15668.11 38347.73 25329.68 23489.45 24221.6 21031.47 26371.81 31162.76 22266.46 36788.06 46630.57 36253.51 28479.98 40517.89 36320.3 19977.87 18282.81 9091.46 23510.57 7301.35 22886.3 21942.77 21872.71 21865.63 20875.02 39430.04 29879.01 23069.75 20137.73 29344.71 22065.92 18938.69 38473.97 26185.72 32310.41 4992.28 4771.35 5698.44 4851.35 6118.64 2017.23 2246.0 7651.58 5495.22 1608.74 2608.09 6957.54 2399.82 2949.93 6489.8 4722.82 1963.26 1736.44 2201.13 1866.78 5413.91 9783.87 28512.28 26160.92 26553.12 25172.76 25498.9 27393.49 26537.76 27051.73 27073.32 Pentadecanal 528.05 2011.77 1588.53 7732.58 14958.68 28027.57 26916.35 1620.62 693.89 1617.31 353.05 2457.71 15846.78 765.85 2413.08 2283.78 1782.48 1789.2 1791.46 1018.33 1587.65 2284.38 638.65 1028.79 877.8 1932.96 700.75 1447.55 2086.79 3610.98 462.15 3351.03 591.2 3073.32 2637.53 1340.46 437.13 1436.62 788.8 3104.83 15194.37 3840.21 841.73 598.92 658.22 27941.21 1818.47 4428.32 269.37 10011.57 2867.26 712.44 1262.71 7256.2 3208.54 1973.01 1358.87 1283.87 2008.66 8523.95 524.54 4323.5 1010.67 1788.77 1747.19 3742.81 1867.61 1198.85 1518.68 1472.38 849.87 794.95 595.92 4015.69 28602.34 5037.26 4978.34 4929.11 4892.76 5038.68 4992.28 4901.51 4893.37 4898.29 18-Oxooleate 2629.53 3469.31 3037.67 3793.94 4705.8 3413.79 2757.45 2674.14 3545.77 1439.48 1704.52 2817.63 2656.1 2645.66 3713.64 5288.04 3279.96 5151.39 4361.99 4793.28 3105.3 1551.77 1383.59 3114.29 2902.45 2244.42 2011.25 2958.55 4609 1880.4 5367.33 7990.55 1668.75 2821.64 2896.64 2744.52 2203.97 1386.11 1456.51 2144.15 6487.09 3684.42 2396.34 2222.1 4360.56 1810.59 3941.35 4000.68 2688.86 10966.78 1540.06 2841.55 3057.88 4181.89 3337.59 3580.89 6090.25 2547.97 2101.73 2077.02 3267.68 1058.74 3143.99 4106.84 2698.35 3523.52 5556.8 3109.35 2733.14 3147.67 2123.42 3033.33 1572.26 4159.6 3395.5 3324.85 3436.1 3716.2 3104.09 3346.33 3583.58 3320.06 3445.2 3318.49 15-Hydroxysolavetivone 4264.32 9887.97 6485.13 8159.17 5066.29 6038.03 618.66 7940.62 1800.49 1157 8213.08 5853.47 4588.94 4596.27 17383.29 10593.6 14848.43 15848.91 6997.01 14148.33 9820.83 5214.88 3013.72 5755.75 5847.24 8963.33 9353.82 7355.33 6736.05 16293.58 7235.81 7659.85 13488.57 6334.99 12398.61 7189.97 19678.28 16875.72 9420 20596.13 10848.1 5761.98 5817.49 7714.32 5422.95 4753.57 9882.36 12142.83 722 8684.3 7535.15 8492.6 8249.7 7054.89 5586.86 13605.41 14135.16 13406.2 15298.82 16894.44 14415.7 8307.01 6559.22 15147.44 15982.49 7105.56 11589.03 7865.84 7631.28 14960.41 17400.21 11999.31 20975.71 17054.69 11391.04 9311.53 8976.65 8567.94 10609.35 9383.32 9355.05 9359.69 9343.34 8964.66 oxalosuccinate 56026.37 63144.51 66862.14 67527.96 56159.7 53397.31 86252.66 74900.25 69592.02 71081.32 65462.48 61268.8 58389.48 69568.18 80185.3 61821.8 71581.21 59765.87 61525.21 72905.62 67600.32 70044.79 66729.29 68376.55 61901.17 69277.95 63900.47 68918.42 70332.49 63313.4 55772.53 58583.61 66029.96 58177.41 77672.55 69661.98 68240.98 77175.39 73964.05 76205.92 72327.57 77930.25 74200.4 87580.63 66563.6 67408.26 65119.35 72287.59 80973.16 57661.74 69981.6 70733.03 71939.42 61558.67 62872.2 72510.01 69257.31 70036.31 67988.5 67590.89 65792.71 71901.36 60607.58 74859.19 82879.8 58600.7 64108.73 72983.8 66172.74 80232.24 74193.82 67294.76 75033.76 74035.7 63544.87 7436.36 7784.6 7747.23 8776.29 8075.47 8554.98 7808.46 7518.27 8660.5 8160.55 5899.32 7194.53 7766.2 8085.6 7835.7 6112.98 8341.06 7887.98 7938.67 5715.85 7071.56 6436.71 8234.26 7315.12 7423.63 72365.25 70393.23 67650.59 71048.36 69544.34 71172.49 70376.04 71048.74 67822.88 Fluoroacetic acid 7741.01 34481.55 19511.73 2233.45 21408.52 19382.99 20338.54 10466.09 26183.66 23771.71 26220.25 20612.2 14931.78 26391.06 5985.25 9562.26 20370.47 27833.77 24731 29319.31 8927.88 23161.81 21557.02 3731.42 2082.21 23266.62 21316.59 25370.73 19892.05 20004.34 28737.61 39491.27 21309.44 22388.95 28017.97 13030.52 29121.88 26372.9 17877.5 21082.99 29267.34 44709.48 27995.37 25697.15 25555.02 5766.25 23911.1 10919.25 26721.54 24378.11 29319.37 23969.46 26998.72 11814.47 6844.18 29029.16 6060.65 36521.25 36027.43 15968.31 23413.31 23817.71 30257.78 26037.22 26301.56 24825.01 31984.35 23408.32 24136.4 40631.98 33821.44 18270.87 24939.69 24569.16 6419.59 22553.68 22863.85 9122.22 26561.72 22493.24 25975.17 22636.25 23919.22 22497.81 6-o-Phosphonohexopyranose 2914.18 5710.89 3261.34 2469.84 1196.33 1033.74 1370.01 1226.65 737.04 3126.52 578.37 3323.17 7800.58 3006.38 3319.25 2173.96 1134.68 2080 3981.4 937.46 3058.4 753.52 1913.32 3344.61 4038.53 2108.37 4176.25 2524.36 3994.15 4075.81 1691.83 1487.96 1395.5 5033.15 1801.59 5759.48 3083.05 1828.76 3615.33 6473.6 3821.99 2507.1 1754.47 1594.43 1425.42 592.38 1821.79 3836.84 2558.67 575.25 613.08 1836.92 1280.01 585.87 3089.09 2308.93 3696.67 3225.57 700.61 895.84 1276.95 3892.91 1582.65 1046.41 1938.76 2478.65 2095.43 4374.78 5313.65 2437.92 656.63 1919.22 781.67 1311.01 1103.01 1711 2234.42 1302.15 2186.53 2157.71 2153.27 1913.69 1872.78 2297.38 indole-3-acetyl-beta-6-D-glucose 5403 7581.36 3844.12 2247.22 4720.88 3230.15 2695.21 7916.8 8181.05 6285.59 5456.66 5750.02 4088.7 4476.45 7710.44 6130.35 4252.21 4794.82 8509.16 7077.29 6518.67 3579.17 5046.75 6249.77 8039.5 5296.37 6308.72 6177.54 8909.41 5579.13 6684.25 8154.02 5113.82 2216.04 6056.8 6861.63 8246.83 3956.32 4510.31 5733.67 5867.85 8843.52 5875.36 4313.89 7174.92 4229.08 8445.88 6134.62 6105.82 6085.08 5455.27 5624.36 6206.49 5214.97 4915.94 5097.04 2441.12 3426.25 6625.62 4179.95 4610.23 4991.69 1861.28 6212.84 4378.92 6867.73 7511.68 5761.9 4605.35 5644.68 3858.36 5943.05 5854.53 4534.2 5548.68 5634.27 5538.76 5879.06 5467.92 4978.61 5524.45 5354.36 5852.25 5454.03 1-Eicosanoyl-rac-glycerol 1960.57 1271.87 616.77 712.06 2933.83 714.29 781.67 2015.78 2818.32 1627.86 841.42 1611.94 420.41 389.06 498.64 1189.42 1367.44 1583.67 1373.12 1849.24 2952.98 1233.91 826.78 734.67 2452.43 1386.93 823.94 919.03 2109.13 1253.09 3310.07 3820.89 880.26 1269.19 359.68 1758.76 2185.12 1752.39 661.84 776.66 1455.29 4014.45 488.15 514.22 2354.62 366.48 2586.11 1626.01 1165.42 3296.88 1902.31 1454.1 816.76 648.37 2039.09 745.27 626.98 420.86 1848.25 1343.77 810.85 661.84 1951.35 699.79 683.95 2247 2778.3 1330.9 1268.36 2352.16 2009.36 1482.4 1229.05 570.53 565.22 1835.35 1782.18 1787.78 1778.53 1857.12 1863.18 1865.14 1869.45 1367.64 1-docosanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine 3948.1 4602.41 3988.08 478.31 406.64 4531.41 2695.12 4646.56 3350.64 5250.45 6287.13 3444.04 2810.82 4699.54 5520.27 527.52 613.77 4375.5 1802.9 1445.47 4309.18 3714.46 1050.35 4129.78 4428.44 3149.78 2325.74 3046.92 3286.06 291.06 545.55 3901.4 3784.63 9548.8 8318.17 5708.46 7390.98 7411.87 6207.38 9595.1 1672.37 3841.72 7515.51 14588.47 3782.74 4044.93 6045.92 5235.78 4401.99 5966.82 20749.05 11166.35 7765.81 3910.73 10312.69 13384.19 12981.85 13734.8 6523.18 6288.41 10472.89 5847.98 22255.44 7952.54 9339.49 6687.1 6824.15 5487.94 9533.94 7950.22 9676.78 5365.76 17967.41 21321.17 11655.11 8484.42 9454.87 8421.79 11376.79 7777.73 8441.74 10590.71 8373.07 8263.8 1-Octadecanoyl-2-pentadecanoyl-glycero-3-phosphate 2939.14 421.74 1637.54 398.54 1522.87 1782.59 866.66 1956.12 2468.63 2125.57 2903.4 2729.51 1770.8 3046.36 1491.2 1567.71 1177.28 1150.41 3547.83 2921.45 2709.41 2059.52 3118.08 571.81 597.87 746.45 1863.36 995.37 715.63 1985.45 1567.65 3204.54 3363.04 3461.16 1913.08 2050.97 2232.39 1145.66 2583.22 2000.57 3663.95 3440.03 2649.77 2453.72 3480.08 1901.06 2746.95 2681.62 1371.16 5993.83 3122.07 4101.98 3145.29 3334.4 1856.45 3253.74 2026.06 1737.9 1703.8 2156.01 2065.7 1691.61 2600.09 1921.99 2141.38 4010.9 5921.13 2759.32 2640.36 1858.31 3152.23 2100.78 2363.14 4397.18 3715.5 3594.51 3679.4 3495.36 3589.49 3411.08 3511.1 4025.27 3592.36 3496.25 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid 2282.27 2598.5 2812.66 1508.53 942.59 10037.57 4076.8 3316.91 3833.48 3771.41 2868.08 1963.92 2112.1 3015.54 3183.68 1698.19 2992.63 4214.71 3727.24 3962.82 4233.17 4738.03 2507.02 1653.25 1732.88 3623.24 2678.06 2535.06 1922.86 2731.35 3455.27 3850.38 3607.66 2595.84 2690.8 7856.65 2734.8 3932.75 3666.95 2947.99 4699.48 3500.49 3292.81 8159.6 3092.78 2681.78 2596.95 3015.49 1811.43 3512.19 3294.54 2358.81 2206.26 2288.35 2099.2 3499.06 3009.7 3326.06 3196.1 5226.99 3189.08 2866.97 2526.55 2520.41 2438.21 3475.45 4963.33 3627.38 2748.56 1924.04 3103.86 2876.24 7792.73 4491.8 1868.8 24900.58 92205.22 77271.2 95829.13 79878.75 83786.36 69390.21 89111.05 25939.57 79140.18 90073.34 19928.63 85116.97 97937.06 90672.97 72178.19 83803.54 28937.79 101988.43 76772.87 97237.16 83577.57 111337.69 93972.91 108270.47 2270.94 2728.57 2647.4 2649.01 2687.45 2648.92 2723.26 2809.47 2652.86 (3R,5R,8S,9S,10S,14S)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde 2396.13 6996.46 469.08 3538.36 30376.16 9151.94 2176.88 2300.11 2953.41 3024.51 4410.52 940.47 1593.68 1502.35 4258.48 18498.63 5446.62 338.34 2994.54 2728.31 4151.01 2355.94 580.33 4374.42 2474.03 1951.28 3782.24 2283.28 3762.51 4501.31 733.91 2625.93 2919.89 406.92 3430.13 1638.58 2353.17 4981.92 2200.55 6834.44 4293.13 2225.85 3492.63 1580.78 1018.69 2972.55 1360.31 1232.77 2979.52 1546.09 3264.61 1755.79 876.42 2603.21 2495.66 6607.06 15514.06 5814.38 641.1 7943.26 8416.75 1845.07 1213.63 6508.77 6554.71 4606.36 922.42 3428.61 6955.01 1815.73 5616.49 1475.59 4198.38 5717.37 3752.96 4726.75 4598.45 4740.25 3948.4 4734.22 4691.82 4664.7 4726.29 4604.6 2-Chlorophenol 611.4 1177.37 1389.07 1391.71 1102.33 672.28 838.13 1405.22 786.16 1824.69 825.22 1546.64 1430.74 1415.63 1291.33 1225.42 1645.98 1262.21 743.32 746.27 586.12 1552.1 1394.16 2330.86 1092.77 918.18 2451.56 1698.65 606.78 878.27 657.51 494 1246.31 875.22 1686.92 1461.02 799.42 676.26 1908.63 1896.34 965.64 567.98 2079.62 1387.09 803.82 920.63 506.14 2276.67 1182.17 987.51 834.34 1763.11 1670.61 1986.25 784.1 1315.06 791.67 1179.51 822.28 948.23 2339.68 1891.15 474.57 922.91 1293.05 1243.9 720.25 1865.71 1840.4 721.37 792.23 1524.32 1171.38 2103.63 1944.2 1212.09 1246.5 1203.81 1206.79 1272.56 1114.05 1263.17 1263.51 1272.8 L-3-Aminodihydro-2(3H)-furanone 2375.23 5858.49 6026.39 5588.08 2102.47 5493.84 4671.61 6775.84 4324.58 6298.92 7403.55 4513.3 5635.14 5475.55 6092.42 5963.35 4718 3729.62 6057.88 5124.96 5477.1 7907.92 6325.55 5590.55 2963.09 4219.32 5746.69 4398.5 1801.44 6774.02 4944.62 3814.62 7488.66 5835.98 6379.94 5125.67 7169.86 6876.24 7330.71 6476.01 3258.42 2983.86 5857.57 6710.75 3320.15 10720.91 4117.91 5765.46 4624.11 4032.55 4401.03 9943.43 5974.41 8148.17 5581.6 5976.42 7066.67 10699.42 8032.11 6091.02 5042.65 6242.82 5483.47 6810.16 7772.01 5963.72 3540.48 4646.47 8560.96 5779.71 3635.07 4031.03 4650.46 2001.93 13265.63 3998.64 4193.34 3925.8 4193.05 4580.77 4216.38 3936.46 3922.94 4201.81 1,2-Naphthoquinone 1666.17 1506.99 875.1 1177.46 2070.17 3424.34 1576.57 835.12 3158.4 1356.82 1866.46 2811.49 832.52 2217.23 1216.2 3800.92 1113.18 1139.08 4034.69 2904.85 1491.12 1072.92 578.19 915.25 1603.9 878 2527.5 2162.49 957.45 1692.96 2398.87 2455.95 533.18 1419.18 1473.08 1138.13 1257.87 1740.53 3763.29 1233.85 1403.24 2093.32 1863.39 1251.82 1854.76 997.65 1948.85 3515.93 1853.18 4486.81 1262.59 1361.02 1497 1336.63 1452.13 533.25 962.94 1595.41 1364.69 535.02 760.64 1546.84 966.26 746.17 846.59 1061.05 587.98 527.45 1683.94 1131.05 857.96 1135.89 1105.93 1255.26 2332.04 1321.54 1417.44 1184.49 1341.61 1561.09 1421.6 1344.59 1419.81 833.89 l-Histidinol phosphate 77020.48 74325.45 87421.55 78281.11 81950.54 56757.12 91327.5 104060.72 103747.55 90767.09 51053 84019.32 92974.55 91346.37 90664 85942.11 78843.26 87816.23 101183.15 82838.35 101696.59 71962.96 86933.68 79770.98 91774.67 86494.08 88422.38 88810.75 88674.14 71943.54 71890.91 82012.54 85605.24 90745.18 82936.6 93650.85 82641.62 43740.59 77210.36 69119.77 66547.01 73815.25 86852.04 75017.81 77609.27 64755.65 93209.31 83035.98 58092.34 71492.83 61817.07 68043.37 79575.19 61799.74 78659.64 80383.64 76022.76 68662.93 81068 51334.85 67505.5 70693.25 69951.1 72881.06 75068.47 74399.79 66361.97 81912.6 75956.58 82919.53 70066.6 67060.95 45000.14 54481.6 71980.4 72877.98 73125.29 73128.43 73541.56 73524.33 73612.55 73230.9 73429.41 73538.42 L-Ala-Gamma-D-Glu-Meso-Diaminopimelic Acid 18242.23 32018.13 13637.84 18469.06 34293.73 17835.17 17733.22 26341.96 25396.78 11239.25 12049.29 20062.85 29909.34 23061.29 36843.46 39366.86 20997.32 40173.72 42275.45 60695.59 24983.67 12175.31 7779.05 23462.77 25892.38 23045.22 13367.22 12533.63 36106.24 19704.08 59734.24 60342.54 11187.39 10644.41 15382.68 21850.04 15211.62 5185.47 5218.38 14397.25 51425.98 34803.87 16468.01 13651.43 34340.47 15417.04 27897.51 25348.26 10815.92 85423.59 8761.43 16125.61 17108.87 27224.35 24553.39 30707.44 17315.48 16829.06 14099.01 17025.21 11278.58 7139.63 24591.8 18479.13 15063.12 32397.58 42994.96 16969.15 25689.2 22498.73 15816.89 18432.37 13139.52 30391.66 20594.38 23388.3 23153.25 23388.81 23688.79 23152.46 23144.89 23397.57 23392.12 22802.17 18-Hydroxyoleic acid 43764.48 51406.82 11797.65 38586.19 58196.06 47448.25 40387.82 42623.42 44084.42 12895.7 9389.97 13539.57 22402.36 37794.87 56376.15 69567.65 37601.06 53461.83 62901.88 66871.95 19028.08 14104.8 3606.74 23603.8 48638.56 41896.1 25392.53 28589.29 26175.92 19054.66 41591.67 57401.43 9403.36 12259.03 32162.32 45516.19 34089.52 9417.8 6664.6 12501.22 50210.97 49389.9 21527.01 44651.87 45452.37 18736 69423.25 52710.72 22773.84 58485.65 15559.99 27093.18 9122.34 15249.85 68447.71 53872.43 31385.35 21544.25 24939.96 21239.12 19535.21 15405.85 55238.01 17697.11 16544.43 44949.2 50568.81 53363.33 82731.68 70306.27 36189.49 44835.83 17359.74 36754.51 68403.67 41429.59 42975.9 42449.63 42975.38 42982.54 42386.82 42476.33 41786.14 43006.17 2-succinylbenzoate 2635.68 1993.03 4001.91 2201.8 2464.69 2865.65 3982.92 4000.83 3784.29 2724.57 2031.07 2496.43 1993.67 1653.84 3699.35 1659.01 2583.29 2103.56 1274.54 2622.2 2012.66 939.28 1461.28 2233.42 2311.04 994.41 2777.09 3673.93 2295.1 4179.61 2022.62 1846.8 2261.24 2968.49 3869.77 3058.48 3689.53 4141.53 3523.03 3971.26 3714.86 3731.1 3065.74 3777.91 3725.13 2094.68 3292.25 2292.85 3199.38 3257.6 3864.66 2430.51 3135.46 1220.38 3567.57 1884.6 3722.83 3244.92 3223.01 2367.62 2330.21 4103.16 1670.5 2407.91 4002.45 2910.25 3056.03 2888.89 3436.54 2350.55 3128.03 2612.12 3241.89 2388.32 4594.9 3612.13 3004.59 3123.18 3220.32 3220.19 3347.17 3275.82 3265.76 3154.8 (1E,2S)-2-methylbutanal oxime 1175.71 1274.15 1972.73 1035.99 890.62 3464.23 1534.58 1636.66 1408.27 3820.53 1379.73 407.55 1562.23 806.21 1809.67 6631.17 1333.12 1153.8 1407 1057.64 1304.07 916.31 1888.78 1347.78 2558.84 1001.15 1337.97 1256.75 1099.09 905.8 1257.26 913.11 373.31 6008.99 2116.75 2875.81 3036 3120.25 2886.81 5600.8 2809.72 1544.92 3579.29 1441.4 1793.03 1511.87 2424.3 2624.17 1367.31 3469.46 1180.84 14063.04 3504.69 1180.17 3000.44 1076.84 1061.93 14294.72 2893.09 2158.34 2833.36 2153.05 12278.41 4301.77 2197.14 2209.48 2279.4 1270.05 1183.51 1316.7 4886.31 1843.12 1596.36 1620.22 3083.52 3626.82 3675.57 3543.93 3844.5 3195.57 2875.14 3218.72 2761.32 4570.04 1-Pentadecanoyl-glycerol 14325.67 28146.36 96102.59 47571.18 37200.51 79354.7 78688.79 15564.52 10516.08 15655.04 16489.8 23299.07 41216.82 30367.68 35988.15 35562.82 36477.32 18300.71 50761.15 25931.57 37647.41 88863.98 29894.37 44043.14 8834.15 6284.67 10607.96 16251.5 60825.48 36277.11 29647.72 16670.71 41630.98 54277.73 43226.48 11077.42 15745.22 54291.52 27865.14 27619.92 32586.07 18740.46 37520.67 21067.55 32544.45 27490.47 14848.32 45053.68 5672.53 28853.08 18031.68 34925.24 33791.57 29895.61 6335.24 32200.76 7849.88 22412.3 8126.4 14709.4 15908.48 53663.92 24744.93 50817.61 39917.9 23529.16 41269.83 24883.3 24426.73 15809 16817.55 15125.49 8527.22 15403.45 29683.72 26756 27478.6 21097.77 26730.24 25854.22 25884.38 25807.18 25195.22 27586.81 Isopentenyl phosphate 239.97 163.86 179.15 210.9 263.42 3585.64 1314.17 281.93 189.3 189.97 248.48 186.06 261.31 202.13 297.58 273.82 196.81 190.63 155.71 175.95 126.28 826.27 164.24 180.16 185.22 215.44 231.55 204.26 120.25 323.12 179.21 507.48 184.21 221.57 124.44 146.27 214.28 153.72 148.04 174.77 196.13 201.75 174.9 146.76 176.83 136.48 141.07 169.58 126.52 237.4 183.94 184.13 155.3 195.74 236.25 150.35 128.41 143.03 135.35 671.05 146.14 374.92 191.39 209.37 139.82 141.71 228.91 170.15 142.01 228.85 159.97 121.93 140.74 157.88 171.7 645.32 774.82 804.3 700.95 792.28 802.69 851.43 797.65 776.38 Neomenthyl acetate 6015.05 2939.74 4720.9 5957.99 18334.06 11264.03 11089.23 818.86 5825.03 1440.56 939.25 4880.47 5138.8 23574.59 4697.87 3223 3853.89 5181.96 2408.68 7332.32 2464.56 6813.4 3777.5 5797.52 7249.26 4644.14 4700.48 8744.8 6747.02 3709.49 5863.06 2801.47 5369.13 3639.65 20384.02 5433.8 3834.49 3571.73 5356.53 24709.91 6359.14 3529.38 2551.61 6367.51 5455.28 6127.4 6676.48 3831.83 3591.15 7337.27 6110.98 3843.71 4404.41 7530.12 6499.1 3746.21 4218.66 4327.18 4524.19 6600.65 3476.65 7667.19 21412.92 4320.41 5685.09 5684.99 2624.88 5554.54 10677.7 5154.53 3087.67 2251.89 6703.26 5910.67 4193.46 5894.5 5894.75 5888.68 5672.7 5681.18 5485.7 5888.43 5890.17 6047.03 4,4'-Diapolycopenedial 2096.06 1812.24 2224.69 600.34 3523.58 4516.54 1028.63 4306.1 3546.97 5170.23 1907.09 1794.32 3431.67 2448.24 2717.07 3491.34 3788.4 2297.3 9857.4 8891.66 2219.07 2153.6 1313.4 3412.03 809.64 3081.35 5936.34 2413.23 849.58 395.29 1299.06 1165.97 3003.64 549.5 1317.24 1864.45 902.59 1020.08 1103.2 1005.03 592.41 1062.67 3323.34 1989.8 1249.13 1647 4345.13 2546.55 46889.87 8010.42 6012.62 4825.61 1459.83 3468.25 2752.06 564.36 1952.83 1699.18 431.56 2013.77 2189.03 3016.65 3061.2 770.01 2056.16 1885.94 4404.13 1480.43 1494.94 3573.8 3135.34 1337.74 13929.25 32410.4 8495.98 6074.5 9275.75 5479.42 6246.96 6329.5 7359.55 5944.98 5853.43 5560.96 5868.46 5439.85 6359.39 5597.39 6062.99 5844.33 6382.42 5934.6 5551.9 5417.92 5367.76 6365.88 6492.32 8080.54 6126.92 5766.93 3342.99 2956.25 2390.98 2747.61 3943.21 4020.19 2929.8 3263.38 2669.92 D-Glycero-D-manno-heptose 7-phosphate 2743.36 13108.58 10173.29 14136.54 3380.3 7641.52 3863.75 18136.6 9144.3 15527.69 11528.07 8135.52 5202.07 6670.65 2569.8 11562.59 9346.05 12315.35 2987.74 14716.04 10033.98 3348.22 2246.11 4197.63 11341.34 13434.21 7817.23 7252.5 9711.93 8269.83 11963.6 10066.26 13229.08 1639.62 9826.43 8252.25 17190.76 12126.8 7759.41 6552.7 3013.79 14236.26 7154.36 6035.88 15346.59 7257.1 7204.68 10616.25 14142.82 20780.87 6855.52 11606.02 6285.45 6939 4949.25 13330.74 4916.45 1082.74 14699.64 5915.66 7321.69 13923.37 13622.39 5928.23 7307.64 7360.4 14276.2 10952.68 12681.2 9139.33 17453.62 8707.65 21830.53 5898.09 8816.69 8284.9 8291.06 8208.19 8678.48 7046.79 8680.87 8922.94 8698.44 8304.73 (3S,10R,13R)-10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 39694.99 35121.49 31485.07 72461.73 43841.59 52281.49 52315.41 49449.77 33287.31 28684.22 33162.24 26243.23 40482.79 34571.48 30187.36 37823.79 29574.85 35014.94 38472.22 33907.49 39615.39 27444.77 20505.2 29760.24 31328.63 34373.86 41159.31 29218.33 39429.05 38595.51 37228.48 91312.99 21131.77 46541.28 131258.27 34999.08 30984.46 32924.96 27838.15 28938.22 47204.03 172839 32188.67 30146.69 37073.66 242188.77 40186.43 32829.2 26898.69 45479.12 39588.85 34019.44 37167.84 39467.99 37212.17 32513.35 30213.38 29850.2 26645.22 26624.87 29539.73 25242.04 34607.21 31825.23 29978.41 51018.33 34221.84 32913.3 33149.93 32827.79 31988.03 32189.48 29885.23 51496.2 38134.43 44765.29 45345.99 45011.81 45012.44 44828.9 46519.37 45289.34 45102.74 45316.07 Phosphocholine 11193.95 10380.6 5197.43 8751.96 8466.44 15412.23 11846.04 14899.99 14038.63 9829.72 8583.99 8051.79 7958.86 8377.96 10455.19 11284.45 7161.42 10895 10265.4 15818.63 10879.88 6699.93 6805.6 8204.21 11517.8 12206.18 7963.12 8865.85 13326.98 6660.66 13000.96 13109.35 7787.53 9015.87 8409.87 12294.28 10595.82 10709.46 7960.82 6866.4 14324.08 15784.44 8736.36 6917.02 13913.9 9401.37 12349.4 9711.1 9182.77 10316.8 10966.51 10211.31 8739.88 8599.4 7342.83 10093.31 5736.66 4440.74 8762.32 6206.08 5588.62 7655.49 8865.48 7409.01 7539.28 11660.11 12182.09 7453.9 8938.29 11340.31 9423.81 9372.69 5439.41 7756.28 6413.16 98269.42 102532.33 73038.86 25718.94 22121.81 143138.4 123455.61 82767.42 168196.55 188517.89 168979.6 239707.04 124776.35 75141.75 174360.03 86904.22 108262.94 117604.25 43677.42 119910.5 151832.72 132554.63 82924.17 139375.75 92620.29 10059.78 10506.62 9988.29 10103.25 10106.88 9990.05 9814.33 10066.45 9987.24 3-(3,5-Diiodo-4-hydroxyphenyl)lactate 19981.15 26831.33 16325.47 14098.98 14135.7 18201.31 13778.12 14450.19 15397.69 22012.4 9727.06 6076.33 6984.36 19069.29 17129.37 3552.9 14386.01 17114.69 13439.19 16219.56 13583.99 10586.33 8999.52 14385.83 18043.21 28286.93 18895.99 16282.51 18400.65 21168.25 20368.27 16034.05 12252.26 20392.32 18981.15 17511.6 18233.31 19345.13 18275.84 14957.45 18131.38 14148.78 17542.55 14459.78 13776.66 8336.5 15344.98 15257.37 9275.48 15533.52 15625.15 20900.3 14399.27 15075.51 13460.22 21417.86 13181.6 16675.2 18870.4 17645.73 12171.48 11256.51 14844.56 15531.87 14785.68 13673.32 15694.02 14005.11 14418.13 15461.68 20922.33 15836.54 11532.09 17064.6 12163.08 15854.86 16502.53 16606.4 16887.31 16391 16779.02 16769.69 16413.99 17833.34 (2R,3S,5S,8R,9S,10S,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol 2534.15 695.47 994.34 7086.88 587.73 513.59 17597.01 563.43 1053.12 230.82 2689.07 2434.33 2321.91 1320.89 282.53 14291.83 2553.72 1345.31 852.88 1221.39 357.65 636.67 1611.92 788.77 1102.06 415.85 2788.06 1571.27 1171.65 2769.61 1106.92 572.07 1621.13 2574.79 4374.12 1266.82 1267.8 1783.32 1507.18 897.52 4234.76 3334.08 450.14 1227.52 1493.32 36738.23 1671.52 1482.96 2503.41 1029.49 282.3 404.74 312.19 2251.8 887.4 1305.45 1512.66 220.6 1185.1 1367.16 1526.3 647.21 1127.63 577.08 1522.3 3824.83 1247.19 1815.2 969.14 1227.31 1360.71 1405.49 378.97 6794.67 1750.77 3443.6 3561.92 3320.58 3458.26 3342.99 3379.01 2635.9 3546.97 4118.48 ardeemin FQ 5888.48 4268.44 1388.24 1781.85 5085.54 2731.16 436.14 7561.93 4702.3 2263.83 2771.91 5797.65 680.65 3370.43 4873.62 9099.52 1278.9 4819.83 6535.76 7168.37 7169.89 648.54 1716.97 2908.1 7142.01 5443.83 5438.85 1871.44 6583.09 8882.55 2299.94 14329.03 5558.39 4782.26 2710.32 8625.47 4430.96 2249.51 2768.26 2141.13 7061.35 9413.71 4023.2 3199.57 9012.34 1667 4341.65 3332.12 7793.47 7684.97 8474.67 4965.18 2320.16 2227.54 8048.46 2299.38 2820.67 1308.41 7181.72 3061.79 3265.67 4303.12 4872.63 4346.58 2919.58 4337.27 1788.82 4470.89 3636.28 6640.31 6341.76 5655.72 4345.97 2478.87 1040.37 5317.54 5532.76 5673.61 4570.13 5360.65 5257.1 5562.49 5532.07 5296.77 Allysine 2331.14 2319.72 536.77 576.18 2268.33 771.24 3058.96 3264.55 3214.21 709.89 1615.13 2007.96 989.41 1171.22 565.65 1342.23 599.14 1496.46 1135.13 2723.41 2019 1227.9 776.93 1300.57 3194.05 2999.13 1471.49 807.77 2302.24 480.61 2635.25 1468.62 1176.34 1859 1048.05 2076.6 1976.88 1009.96 1601.3 1790.37 2341.6 3732.5 1227.48 523.34 1160.18 651.89 2753.02 1130.44 794.94 2223.8 1510.75 1172.09 960.24 452.43 506.81 1058.02 552.45 783.19 1455.44 632.03 1193.94 1200.28 1235.17 891.09 1195.41 1385.65 954.84 1265.14 942.12 2041.56 2364.33 1844.73 923.59 756.29 826.11 1334.12 1267.13 1304.98 1309.31 1266.96 1345.11 1333.69 1163.52 1298.67 Acetamidopropanal 1771.22 2528.45 1980.66 4492.32 3881.88 859.8 2366.31 2965.35 1752.63 552.23 1442.79 1013.8 1915.05 1671.08 2248.7 1792.64 1036.28 1286.63 1914.78 2356.48 934.64 751.39 793.58 3522.42 1108.9 989.33 1335.87 1578.41 1203.64 2176.23 3085 1828.86 676.81 2173.61 2264.35 1110.78 3089.53 468.01 1384.29 1860 2154.51 1989.8 2131.69 4374.52 1828.27 2715.55 2062.94 1779.04 1320.38 2332 1575.6 2199.89 1486.23 3097.81 1042.61 9987.31 2773.38 1935.38 1416.82 2577.9 2830.16 1593.47 2963.82 2530.92 1590.22 3213.83 1887.99 1634.66 3656.4 1667.69 1175.93 1837.36 1606.64 2807.04 3555.29 2461.08 2372.36 2444.02 2419.41 2458.95 2475.55 2462.21 2440.57 2455.36 epsilon-Caprolactone 651.23 1711.86 2680.47 3050.58 4629.73 5394.23 3230.92 7465.44 5893.79 5118.55 3571.02 18967.72 3147.56 5924.92 6878.44 4314.02 4937.77 6058.99 11597.81 2953.92 6381.87 3000.38 3913.63 925.06 5451.8 1745.04 4265.47 5082.2 6691.24 3603.78 2463.21 5852.26 5699.82 3876.62 3771.33 6129.32 7364.08 5183.8 5219.49 3411.79 8099.51 10916.88 5233.9 3993.6 5844.71 3258.7 7326.64 6765.27 5777.63 5278.85 3896.91 6412.86 2850.16 943.82 5957.29 4108.01 1174.71 2013.55 1391.57 1874.38 839.18 2476.4 1513.4 2103.77 5436.88 7326.4 5021.81 6667.1 5368.94 3644.66 4715.86 6852.96 1519.31 4300.2 925.78 3155.56 3224.64 3276.39 3235.29 3642.4 3179.1 2801.1 3282.44 3245.98 Oryzalexin C 8523.68 2889.76 9978.63 12579.9 15992.91 16304.25 3749.69 24925.1 1904.96 8641.32 2955.29 6824.02 784.95 979.57 12738.39 11995.4 2106.67 9288.73 5807.09 17365.19 14917.86 6567.21 7976.89 8830.35 2049.57 9316.04 12615.01 1739.41 8346.78 9122.79 1818.02 2061.99 10726.69 16938.41 7170.64 4725.2 11690.73 8510.96 8413.42 6169.96 7981.57 6941.01 14554.31 8247.33 7549.26 9814.42 16097.41 15108.2 33865 5168.53 11648.65 12842.36 7486.9 4441.68 11433.66 9667.42 7871.11 10696.9 5364.48 8622.24 8554.8 7223.1 13721.86 13866.22 10622.53 4298.68 15002.58 5750.82 11931.46 5295.93 7032.15 8981.74 9102.51 13195.3 7558.35 10949.5 9444.22 9495.31 10211.72 9496.91 10112.29 9547.05 9536.89 7683.73 3-Chloroacrolein 1526.59 2215.34 1050.99 3360.69 1544.88 858.47 1925.53 2026.41 772.38 1925.15 840.88 984.48 776.04 1589.11 2282.46 1563.76 997.87 1398.9 569.89 1081.25 960.18 797.05 700.93 1202.34 773.68 1576.36 2402.83 1497.85 1045.77 1060.19 1644.38 1571.31 798.19 1999.14 1632.41 1797.12 1895.93 2109.14 3194.89 2073.01 2601.96 2095.86 2273.52 2756.8 2437.42 2906.73 1814.26 2288.1 2420.13 1853.74 2196.54 3244.02 2342.12 2194.66 1624.96 1658.92 1482.72 2159.97 1329.88 1811.45 2168.61 2249.56 1837.14 2285.86 1847.84 2211.11 1814.62 1844.75 1577.82 2324.52 1380.26 2052.18 2717.15 3568 2073.62 2077.75 2212.56 2231.95 2067.03 2079.27 2300.35 2363.97 1843.01 2115.04 UNII-6B3F8QW8TU component NOFOAYPPHIUXJR-UXXFXACISA-N 3105.64 3203.29 11693.38 13536.24 34726.94 25712.09 2523.64 8145.33 7259.65 6917.84 5628.72 19786.08 9357.63 5406.33 2914.94 4261.01 5273.84 1965.05 6455.64 3631.95 5822.82 2387.85 2514.02 3952.16 3769.6 3725.58 4552.59 3251.87 5028.83 3585.33 4662.87 8855.19 2951.37 12649.69 19007.45 2195.46 5841.18 3389.11 7005.87 9105.35 1321.39 7690.16 3718.51 4781.47 4764.34 15743.19 1752.78 2281.1 5210.48 4209.91 2837.85 2911.7 2793.75 4992.48 5123.04 3787.23 3487.4 2537 3312.34 7492.71 5088.42 3956.58 5694.36 4475.75 4579.24 6300.33 4309.49 19189.97 4183.96 4092.8 4571.73 7668.81 3765.2 4461.02 5378.97 5899.39 5248.01 5311.42 5953 4187.54 6079.64 5255.32 6864.93 5703.72 3-Dimethylallyl-4-hydroxymandelic acid 14503.69 15672.4 3290.19 5336.56 2396.78 3167.13 1580.82 9923.4 7105.69 14125.23 10723.21 5968.7 5158.56 26143.52 6963.3 4076.07 7388.66 2895.62 7459.27 2628.89 2613.11 1410.43 4350.52 5041.69 9425.85 7173.9 14103.9 26321.84 5912.8 5614.55 6116.91 5779.66 3926.29 7782.07 7055.83 8272.82 12452.11 19318.8 19288.03 23350.45 1057.13 12150.36 13068.95 14032.36 8153.04 17450.59 5130.65 11340.73 3178.84 6771.23 21136.61 5374.98 13117.94 10501.08 16391.11 5926.85 4091.59 9067.6 13283.06 1969.9 11236.37 6934.7 13077.35 9363.34 8527.76 19065.46 5977.19 16971.12 10126.86 6999.25 3186.72 10607.94 8611.49 2011.54 6540.59 4905.93 4046.75 4914.49 3957.7 5271.32 3876.17 4293.63 5048.66 5007.15 Tetranactin 4272.39 3651.44 1580.84 2869.2 1238.32 1625.85 3723.07 2981.18 2056.58 3360.87 2339.43 2428.26 6257.26 10491.8 2545.64 1601.53 2854.22 3752.69 3258.25 598.85 1372.67 1765.38 4770.05 823.8 1873.62 3035.98 3276.96 4241.19 2747.79 3893.69 7229.77 11147.92 2438.34 6971.38 2773.14 4807.17 4005.2 7972.3 3760.04 3923.79 12513 15037.94 5482.61 4734.55 10715.28 8308.8 9141.96 8933.03 7752.14 26530.67 9843.35 13236.91 6823.18 9308.77 3561.73 9027.83 4667.53 3921.29 4009.52 3611.34 3370.62 2816.13 5020.64 4010.94 1953.06 8607.96 14100.97 4710.26 3446.04 2983.63 6777.06 3810.2 4839.03 11696.05 9044.09 6129.64 15829.53 6603.26 6780.07 6900.25 7291.85 7515.34 6765.54 6588.84 6304.64 11677.3 6705.32 6680.41 5159.2 5299.93 6346.15 6334.59 6386.89 6737.68 6349.36 7077.37 5188.44 6713.39 6753.26 6872.99 7801.42 9070.55 9324.67 8892.02 8701.11 8714.69 8949.52 8804.08 8979.48 2-Methyl-6-geranylgeranyl-1,4-benzoquinol 1043.97 900.27 673.16 1852.33 1202.16 6733.95 3076.86 2001.57 1679.05 518.58 1491.87 521.16 2739.73 630.94 2899.2 1948.8 2489.59 1587.37 1284.28 1867.64 846.34 1907.81 1433.7 1668.51 294.47 316.55 949.27 1515.43 2632.78 1767.45 3649.78 3675.87 3503.82 2001.46 2964.34 854.32 741.6 1069.44 1194.29 1972.18 4401.38 1337.07 488.02 455.01 1007.14 2794.79 1944.72 3200.78 1410.94 2647.5 1312.7 1772.08 1636.6 1116.61 1205.09 1797.06 1916.22 1987.7 1073.87 1456.67 1498.98 361.38 3219.26 1819.28 385.58 1850.41 5411.81 2357.21 1325.42 1052.47 1984.98 672.62 2120.97 2324.74 2357.26 3458.25 3149.67 2722.21 3079.05 3091.55 2972.59 3159.48 3113.25 3105.22 4-Guanidinobutyrate 3279.53 2768.74 3651.73 3425.37 3319.47 2771.65 537.38 1773.56 1288.39 2465.79 1680.69 1326.11 3082.41 2706.81 2990.19 2514.49 2376.15 1534.51 1627.67 1494.03 695.26 1331.04 1473.54 3097.5 2343.1 3642.18 3835.16 2670.58 2841.29 2184.26 2125.1 3715.32 784.72 3291.32 2381.12 3370.91 2799.19 1222.68 2707.05 2000.81 1411.28 2156.46 3044.05 2950.07 3398.74 1896.32 3322.56 1495.25 1475.57 1761.78 1667.49 2007.96 2806.54 1660.66 529.35 2374.47 2301.96 2414.78 2708.18 1348.19 2342.34 1832.93 2461.18 2688.74 3120.12 1768.06 2390.06 3343.25 1955.9 2635.11 2621.3 2415.05 1707.92 2208.43 2360.69 2879.61 2832.47 2998.52 2908.44 2870.82 2827.87 2912.52 2562.16 2905.13 2-Phenylethyl D-glucopyranoside 503.39 806.57 1826.77 3863.09 3386.56 1639.79 2829.68 581.42 1065.77 752.64 436.8 551.14 2076.82 471.46 904.54 673.09 1250.67 1230.19 1680.8 920.85 2090.49 991.76 2375.61 3335.25 1072.16 3105.7 1091.37 1610.06 4922.51 1287.27 1184.53 2383.55 683.15 5186.51 964.41 572.72 978.08 2295.19 365.07 418.05 2078.17 3677.21 638.04 685.33 866.81 1204.97 1184.37 2072.98 826.97 1667.11 1479.08 1390.46 969.48 4203.72 1108.19 3981.95 2012.92 1906.73 393.11 558.35 399.5 388.94 1186.64 2001.37 390.19 1541.33 845 3166.6 754.8 968.52 1258.27 682.17 1327.23 4738.56 4569.37 1837.68 2039.18 1502.52 2046.76 2522.92 1736.85 2105.8 1930.68 2125.39 1H-Indole, 3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)- 31091.72 37875.65 9725.52 11244.45 29636.8 42600.02 19383.46 32659.99 36388.2 22459.91 10967.49 14919.91 11796.66 11694.09 41847.97 16522.11 13319.7 34039.71 29428.12 72565.63 6830.61 23638.36 8453.78 11373.35 26656.52 32759.98 14632.38 8535.35 28699.69 11652.52 37591.46 24452.78 24651.3 13412.73 11282.59 24894.2 33338.68 30709.4 10262.11 13908.88 26176.4 38026.1 13224.39 8571.9 30590.24 16745.71 30915.4 22820.96 10009.71 22970.71 20209.19 28644.37 11730.61 14339.78 25450.14 35197.65 9046.42 10632.09 26541.98 25312.22 7436.18 11548.93 31843.93 16335.91 13928.6 33582.96 42581.18 11502.04 14005.45 36592.59 46535.95 28600.44 15088.23 17123.39 19048.29 24316.79 23578.13 23577.86 23438.19 23440.53 23573.94 23395.23 23392.99 22659.38 1-Myristoleoyl-glycerol 9404.83 12091.21 618.35 6650.14 77120.37 21921.07 17740.44 11102.78 10259.33 3740.47 2644.03 6508.8 7462.7 4020.53 21306.73 4959.45 5222.72 11196.98 9179.59 11190.01 13970.45 5562.48 4521.22 4116.15 14100.56 13333.53 9227.34 4437.05 11705.86 5082.73 6383.84 3562.87 3563.8 1958.06 4691.73 11912.05 8085.31 3063.57 1009.88 6149.29 18826.02 16023.67 1569.98 10523.42 3623.98 11231.9 15514.87 13214.68 5231.78 3257.95 1193.13 3283.26 770.73 7493.48 7529.2 9036.76 696.39 1895.28 10082.16 9313.24 2607.79 3567.71 7867.64 3850.1 3009.42 8427.97 11845.86 6811.74 13727.73 13199.98 8068.97 6863.72 2938.72 5536.62 11157.25 10582.48 10696.71 10573.86 10619.69 10627.15 10587.6 11091.09 10439.21 10566.93 4-methylsulfanylbutanenitrile oxide 6251.53 5014.62 469.58 1524.89 6555.07 13664.96 885.28 6733.01 670.24 4894.19 3558.55 2357.79 695.19 3276.26 10065.1 1448.78 7557.06 5441.23 935.84 8697.71 6511.73 5949.59 3944.74 3890.11 6132.19 3557.11 1316.01 2289.95 13248.38 2143.72 6005 4461.92 3636.13 4512.61 3840.82 3020.92 2815.57 5469.66 2640.4 1619.05 4607.19 6965.26 4589.14 2799.6 5318.67 1279.38 5151.09 4530 3769.43 5969.79 5759.96 4168.64 3409.67 2667.68 2819.16 2986.34 1037.47 3716.15 7156.12 3155.74 2278.78 3442.32 6465.41 4604.28 4261.54 8282.42 4019.61 2959.75 3858.69 3732.6 6599.52 5418.19 2474.62 4480.04 3286.49 5200.77 5058.6 4570.6 5298.17 5179.33 5034.55 6012.88 5072.53 5313.55 PE-NMe2(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) 937.2 2225.07 12513.27 1278.57 1137.88 798.67 651.03 419.87 2031.14 1138.4 1831.04 1303.93 892.04 567.29 457.13 896.25 1630.57 2298.83 602.26 571.14 1505.45 1182.66 1954.58 702.63 2246.52 2115.7 609.72 787.22 1546.92 1079.54 1320.5 1600.45 768.43 1088.78 1906.75 3253.73 1653.63 811.26 1785.43 1970.77 903.04 5147.17 1583.07 2084.72 3106.27 2835.74 2658.59 5304.13 3111.41 3859.55 8491.32 2760.42 2496.99 4079.87 4520.51 1058.32 1141.92 1435.89 1246.77 1120.12 3141.71 3207.18 1601.25 2259.85 1675.79 2944.17 838.44 1843.26 1115.26 4318.59 1291.63 1358.43 2083.58 1616.62 2288.37 2362.66 2562.41 2351.72 2345.44 2457.76 2360.73 2409.66 1925.57 2523.87 2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol 2158.09 5044.69 1358.89 2805.04 5572.73 1123.62 953.44 1248.68 2660.63 1291.78 1471.89 3032.09 3651.98 2727.78 12016.12 7044.85 3546.4 15542.52 6956.92 3600.34 5990.4 1415.12 1121.51 3710.86 5128.77 3057.29 3210.23 1876.82 3793.97 1693.71 7453.18 9988.47 783.88 2034.03 2091.03 4851.6 4819.58 1124.41 832.68 3476.88 9272.66 8764.24 1938.24 459.68 4519.67 2133.71 9278.6 3782.95 3011.94 5397.43 1392.16 1742.48 2446.49 2562.52 9477.67 9261.03 2392.82 7361.33 6081.32 1433.14 3347.75 1596.74 7820.58 3609.83 3991.34 5370.4 2525.68 3709.38 10847.34 18559.85 3097.13 4373.44 1322.32 2534.78 2775.22 4212.23 4536.29 4080.59 4049.74 3954.29 4263.74 4245.28 4284.14 4258.19 Neoagarobiose 2430.31 588.13 754.13 2679.12 610.35 401.2 3976.33 698.54 644.99 1840.58 4124.74 1570.14 1652.26 1747.13 1530.67 421.43 5069.99 1317.97 896.12 850.46 2359.05 1096.5 728.48 1416.71 452.7 985.52 524.54 483.8 1279.11 1064.26 1161.07 2069.35 920.1 2675.6 4380.77 1822.35 2636.64 2604.75 2599.12 6259.33 875.65 922.85 1715.22 2173.29 1747.36 3070.59 1523.8 1187.36 1312.42 1251.84 2668.66 1540.19 4514.96 5128.61 5717.81 615.12 2896.26 4900.05 1484.4 1993.16 3943.12 1128.41 2201.16 5352.1 2006.51 1543.2 2511.89 3867.47 3147.83 3169.9 2073.25 3226.12 4125.91 9822.96 3085.82 6280.73 7196.59 4811.65 4564.61 4139.77 4967.29 8019.22 9035.47 13376.44 7741.81 3010.73 17318.05 9421.58 7487.5 6883.51 3431.11 4891.78 2235.35 5042.42 12820.57 9671.26 9058.85 6836.07 12167.85 12297.87 3469.77 3278.11 3283.34 3558.02 3829.31 2131.68 3286.77 3376.45 3259.67 [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 604.5 289.39 273.67 331.97 4677.33 836.69 1260.2 1228.04 3042.59 1405.72 1014.33 278.67 723.6 7122.1 1199.94 1942.99 2052.35 1283.09 371.28 1927.91 1796.26 2578.6 267.74 451.12 525.99 1196.25 967.25 279.17 717.15 2360.42 766.96 2038.01 802.24 4102.95 1336.68 3315.83 1857.55 245.7 1421.96 884.64 3849.19 6461.31 1619.75 486.47 5986.6 2705.79 4308.27 2735.68 3054.81 13280.29 1481.31 498.2 1033.05 2757.34 2216.97 2670.64 468.97 317.99 2115.45 403.62 1901.72 590.91 1899.95 1657.68 1304.68 2504.1 3626.32 1386.68 1893.78 4260.17 2683.06 2712.59 2179.09 3113.28 3771.78 11039.76 802.31 3437.25 4372.6 5859.63 5459.22 5822.69 6114.14 7510.18 9290.67 8290.75 10415.94 8258.81 7197.57 1862.28 8703.26 8629.25 7617.84 9495.15 9649.27 9825.74 10535.07 9504.79 11506.3 4162 4090.25 4165.12 3999.98 4166.18 4088.26 4330.68 4051.01 4163.24 Aminoparathion 2664.8 2714.52 2367.3 3307.94 1502.34 2267.26 2698.25 2207.15 2863.89 2321.99 2246.86 2371.24 1268.95 2857.36 3044.96 3126.16 2979.67 2434.79 3031.54 797.42 736.49 1988.38 2318.55 3115.83 1668.68 2413.36 2950.61 2272.18 1183.7 3121.09 2344.44 2213.56 2861.77 2656.79 3118.07 2680.41 2060.92 3150.27 2815.5 3606.06 2981.33 2419.51 3165.9 2587.08 3091.73 1983.11 3151.56 2866.36 1959.39 2680.57 2198.82 2966.33 1863.43 2719.07 2500.11 2762.39 3214.05 2711.71 2268.81 3293.09 2209.77 2931.34 2396.37 2561.27 1635.29 1907.41 3350.08 2557.43 3248.98 2986.71 3088.99 3277.32 2764.05 3512.08 2862.99 2709.57 2682.21 2709.76 2785.7 2527.57 2689.98 2755.71 2715.19 2687.62 LPA(i-22:0/0:0) 643.44 795.39 758.2 543.44 470.36 1367.32 388.28 988.03 463.61 487.23 725.4 525.37 1021.46 796.48 599.35 359.07 942.96 670.7 473.47 1036.08 411.71 572.72 1083.69 811.62 541.55 1019.27 523.26 746.58 963.12 736.73 715.77 1137.7 759.54 965.66 537.29 710.69 1298.08 1251.02 1387.78 1365.7 1536.78 773.21 1084.34 1200.07 2084.29 1438.36 300.63 891.45 576.05 552.84 2324.77 2159.4 1639.26 1389.68 1283.2 1680.02 660.3 1089.55 605.59 925.85 726.91 699.52 1349.03 993.34 757.76 3053.82 2273.91 1165.77 612.25 542.64 516.59 582.34 758.7 941.09 811.61 958.64 1492.14 1388.52 1440.46 1565.87 1364.98 1376.83 1372.95 1441.44 5-[(1S)-2,6,6-Trimethyl-4-oxo-1-hydroxy-2-cyclohexenyl]-3-methyl-2,4-pentadien-1-ol 2057.42 3398.15 611 2070.65 2756.03 7791.69 2596.74 846.58 2775.99 773.72 1864.46 1691.99 1749.7 1530.21 2679.18 2556.62 1820.43 2359.49 1595.49 2858.18 960.09 3597.06 2320.62 1504.44 1375.1 3003.88 2323.28 1962.17 2776.16 2087.32 1724.51 1715.83 1227.67 2727.58 2532.63 2087.08 2673.74 3709.03 2395.02 1688.74 1209.03 3562.68 2683.59 1321.81 2540.3 1768.95 1151.58 1695.89 1472.36 3067.74 1226.23 2703.94 2664.96 2058.96 1464.24 3224.26 1269.31 1152.68 3427.47 2141.99 1732.74 1536.3 1908.67 2052.3 680.67 2089.95 1404.01 1696.46 1558.75 977.91 1384.29 2399.84 1605.11 912.86 1996.91 1974.35 1989.67 2053.36 2095.29 2026.73 2192.79 1977.7 2039.83 2054.21 [(2R)-2-nonadecanoyloxy-3-phosphonooxypropyl] 20-methylhenicosanoate 7236.98 2035.02 994.18 3143.78 9089.83 5446.96 2379.39 8834.39 15112.36 7467.34 3046.33 2989.07 4466.98 2710.71 7368.24 10558.29 1423.99 6732.73 3012.26 5091.46 7160.39 2750.25 3878.47 3389.09 2837.45 2013.56 2602.54 2405.41 5296.26 2566.92 8499.21 4787.98 2356.86 5014.13 2877.41 13813.46 5310.2 3459.13 10595.77 11387.65 2718.52 24987.78 1810.88 7998.92 18032.14 14540.7 21560.68 2801.39 8182.08 20869.69 22330.05 5766.27 18805.24 13761.9 20751.37 8268.08 3466.1 7646.71 16341.65 6620.56 13262.36 18304.06 15078.59 9276.57 5975 21371.03 1869.64 7791.64 10333.47 5578.67 13652.15 11774.91 5504.22 8828.4 5301.43 12793.39 12783.54 12823.12 12786.77 12832.02 12107.94 12058.56 11831.83 7624.92 MG(0:0/16:0/0:0) 9459.16 6039.27 22633.65 6869.27 2056.65 12272.09 6280.21 10558.22 3184.42 4234.05 5538.34 5208.81 2401.6 11931.27 1990.01 13114.8 35787 3944.94 811.63 1334.26 10028.4 4968.7 4375.38 378.43 9701.82 8338.3 3999.64 4565.5 9810.26 8135.85 24256.08 10442.3 5646.19 10473.68 5328.97 15475.26 4444.74 10821.48 7016.79 2342.68 6216.97 11575.45 7757.16 14340.06 14286.67 9910.33 5637.75 5814.88 9964.44 9019.71 28537.47 6281.59 13073.96 14267.55 7363.15 16585.53 3574.75 21122 16561.62 1413.34 5396.93 11619.54 10328.02 9454.47 11180.63 1063.28 30501.49 6684.49 4510.77 7536.86 8286.76 3226.7 3276.05 5318.1 17641.99 3581.3 1636.69 4074.8 3739.58 3191.95 5015.02 2809.67 4783.51 3014.98 4699.39 880.23 1952.08 1831.71 2402.65 1386.57 2489.55 2277.7 2279.83 688.63 1152.62 1240.68 1765.47 1620.85 981.53 1258.61 11373.91 10720.81 11041.32 11649.98 10876.52 11044.09 11645.49 11661.83 10731.11 7',8'-Dihydro-8'-hydroxyreticulataxanthin 41337.86 15331.56 16684.86 21470.49 22796.58 58980.66 28816.26 9801.4 46415.11 40924.72 15579.19 19444.08 37275.36 20418.51 19233.71 2815.92 26274.77 39157.14 43230.79 15136.3 11192.1 23093.92 16114.37 11413.55 15638.5 9901.72 14650.94 6099.17 52159.98 40474.45 10302.04 50970.55 22236.87 20915.01 17024.07 24282.54 26914.59 24262.03 18900.86 25751.6 4935.04 5660.68 25623.37 35779.28 48767.91 23685.82 39394.99 16908.99 40848.64 68840.5 40290.45 37496.29 35984 58157.69 48189.04 34355.58 36016.9 27485.57 28275.67 19373.31 20766.92 20373.93 32476.71 26361.56 2810.36 19892.52 39825.62 18442.46 16170.87 29660.83 26634.75 24692.35 21789.09 3189.69 26228.06 4377.44 4602.09 5494.3 4861.48 4726.82 4784.39 4620.24 4057.62 4598.01 4406.03 4824.73 4595.92 4271.79 4478.37 4274.63 3642.71 4293.09 4611.26 4787.31 4311.43 3943.52 4920.36 4085.24 4427.16 4496.59 13597.44 11384.19 14690.44 11186.22 14674.64 13781.33 11496.96 11999.85 14242.79 6-methoxy-3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol 13695.22 25115.92 3436.6 8622.65 32473.82 5755.06 9115.24 28344.86 18992.46 7469.41 8033.73 14402.28 14631.24 11291.72 48420.42 25651.44 11643.2 50269.25 30223.07 28036.74 28667.92 4546.76 3635.38 16210.59 27044.84 14491.71 11559.78 6825.47 27221.62 5902.83 35295.17 27807.02 5480.07 3549.72 8953.59 27163.04 22867.2 8621.49 2114.75 12243.14 53923.67 50056.6 13774.26 9310.67 26910.04 9520.53 50251.31 19591.83 3214.38 25549.92 6699.63 8961.73 7062.58 12821.43 40285.42 34399.54 7595.22 9210.55 23250.46 11008.83 14247.87 5197.54 19604.12 10189.32 11156.57 38127.27 14762.7 11496.31 31401 32696.27 10785.42 19860.12 8780.67 13432.01 11851.83 20126.2 20280.97 20077.21 20037.38 20037.48 20127.42 20059.32 19783.82 20083.18 (+)-abscisic acid beta-D-glucopyranosyl ester 209.61 301.21 2426.39 456.53 322.61 748 7040.91 302.97 380.29 5947.3 4039.82 674.51 387.21 213.58 618.58 301.91 375.56 469.76 396.98 387.19 419.67 887.27 356.22 557.18 924.02 339.35 243.75 850.93 624.37 299.29 708.54 874.47 665.77 3619.87 1830.4 2912.47 1167.09 16513.65 892.58 1438.91 9735.22 8357.71 3369.06 9099.42 3922.46 6740.97 8843.83 1361.86 4131.38 12126.15 9758.19 10752.98 7397.27 2852.43 2556.63 15284.92 1989.51 388.79 13284.47 2228.75 1614.77 177.13 9292.83 578.39 3271.3 5057.14 12347.61 6966.29 7245.95 1276.07 2713.87 6515.14 1766.53 5852.91 1148.5 7067.58 7489.98 7079.42 7104.45 6981.77 6179 7207.04 7130.04 7001.44 3-Hydroxysintaxanthin 46449.39 49669.37 38082.09 45815.15 50809.42 55986.57 129352.74 40239.26 26260.46 37306.07 44484.57 35072.08 264082.87 35379.11 37551.53 52138.62 48334.15 40382.36 42072.86 42263.66 39140.6 47319.72 42939.67 30305.56 9567 48489.55 49078.18 43601.04 45550.13 52440.89 23819.52 51526.44 49552.23 89517.08 49211.38 45722.88 41137.38 60359.57 42004.44 51179.55 48670.8 42218.37 10306.61 36884.98 35724.31 39733.13 37684.74 32182.95 28570.95 58885.64 27767.44 38997.01 33891.56 41151.12 35848.46 28596.06 43859.95 32333.47 40652.68 41734.2 44508.45 43030.28 36897.33 38196.41 24054.93 28200.38 33976.28 27181.87 31445.58 28593.89 31699.96 39729.89 28263.45 53390.04 95590.32 7661.53 8564.71 9479.3 8104.22 7766.91 7920.6 8094.02 6872.39 7809.82 7344.38 7076.02 7512.08 6542.88 6923.24 6432.71 5899.11 6782.67 7041.01 7456.52 6975.39 6251.72 7766.26 6728.88 7107.69 6938.34 49370.44 49268.85 49582.96 49875.64 49515.72 49880.36 49892.94 49796.2 46495.97 [(2R)-2-henicosanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate 2368.95 1603.56 683.13 2216.99 2871.17 669.25 1867.27 2268.12 3147.74 1644.96 4359.4 558.58 6085.77 1120.04 2947.3 628.32 1131.79 2006 3042.97 474.79 3879.1 2261.17 2346.08 1212.25 474.27 654.49 396.42 2078.7 2081.5 1374.31 2095.28 4791.83 1476.95 21876.9 17544.41 11234.01 10864.58 7735.58 11753.95 14744.82 8272.83 14972.85 15867.85 13200.45 10601.97 13663.24 13617.54 15400.15 4780.77 15319.2 22125.13 17482.98 20269.51 19281.88 19051.94 20355.24 12379.17 11966.47 17938.05 8815.25 12529.48 12293.53 21382.95 24810.73 12614.51 10016.46 10824.87 13467.53 12750.12 14886.15 15026.12 15259.41 21882.18 25589.07 22280.87 15186.36 14483.14 14602.27 14472.8 14718.14 14475.35 14234.38 14725.19 14732.36 PA(18:3(9Z,12Z,15Z)/20:1(11Z)) 1767.81 4340.3 2122.81 4306 3464.5 4457.9 379.4 2932.38 3320.99 3691.78 1053.57 5875.42 410.95 8110.86 5871.99 8012.78 5957.39 3504.1 7228.17 5670.85 5624.7 10427.54 509.7 3267.07 4003.2 5733.87 3665.72 1700.92 530.21 2763.14 3085.82 9931.21 415.1 363.43 1838.04 3814.34 2069.76 5141.79 3326.63 1288.47 7163.99 9796.22 4231.22 2584.61 10611.47 6382 8522.68 5234.88 1918.71 9178 1463.71 6871.01 3316.88 7107.47 7044.1 9410.52 2023.63 3839.24 1745.01 3834.13 2132.93 2702.1 7434.15 2658.29 2718.79 8570 9711.02 2239.73 5104.65 3404.07 1798.87 2899.76 1949.18 7308.26 4941.64 6001.14 6480.2 6570.24 6579.2 6477.07 6562.7 6544.96 6477.71 6759.78 [(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] henicosanoate 2132.1 609.74 1915.67 12795.39 17724.93 13511.81 17711.52 3141.75 2709.15 3201.48 1137.35 2954.13 730.67 1333.53 2002.65 4052.55 881.08 647.97 2797.69 2823.59 4459.41 1498.63 1868.69 1855.15 3580.82 2932.61 863.63 475.49 1706.12 2116.35 2419.4 3998.98 1473.63 901.36 365.7 965.3 1008.89 571.87 1512.29 1094.19 13618.45 1851.28 1323.42 886.34 1511.92 6321.02 967.79 1898.17 1613.15 3120.43 5868.31 1279.77 892.06 1662.36 6116.74 2137.47 994.31 893.39 2714.16 3696.92 327.98 1555.27 1953.74 361.23 1460.86 1993.2 1403.12 1612.64 370.93 2234.82 1433.24 748.54 973.45 1973.73 1448.88 7058.89 7416.6 7857.23 6702.96 6864.08 7304.83 6841.33 6145.42 7241.82 9,10-Dihydroxystearic acid 3046.55 5790.35 4537.89 6089.19 4882.72 5750.57 3326.3 434.38 3993.7 2065.58 601.72 2214.91 4017.61 4725.2 7876.72 43469.61 13599.68 4985.32 20903.01 5424.93 3977.53 2107.83 4109 6246.64 334.13 5135.03 4227.64 3619.36 4316.47 5472.9 6205.97 854.24 2389.98 3041.43 7163.11 4901.71 2130.85 2405.84 1321.25 2842.59 6410.08 5509.41 5672.83 4841.19 11316.4 2180.94 8035.6 5485.05 1812.12 21423.55 1869.22 4814.01 3037.81 4980.57 4785.12 11174.31 9273.55 5791.59 4149.34 9528.23 8008.15 3067.31 8314.73 6877.57 3942.98 8367.52 10861.46 4283.43 2996.15 7427.98 3972.49 4356.51 5689.81 15922.61 11592.67 8248.98 8230.01 8279.05 8331.38 7883.88 8255.9 8016.6 7972.31 8015.31 D-Glucosyldihydrosphingosine 125326.87 228819.03 23430.8 24736.14 117085.93 134282.33 22342.39 170031.83 123913.69 95406.54 14189.9 39458.05 44991.43 39460.73 176781.57 21742.29 24260.82 65185.46 55632.21 107136.67 146445.8 87843.59 19081.75 18241.01 118456.24 120774.76 26271.19 15308.27 78015.15 16893.55 43399.69 35826.07 56961.01 40514.88 17586.6 89347.83 145415.76 73884.86 21637.72 33772.44 45376.23 150694.49 22652.76 23146.47 46024.39 24691.53 57927.53 69333.37 31291.68 53523.71 82535.25 149841.4 26303.88 29693.48 172364.74 211022.81 19505.72 28766.8 105770.51 89496.52 22987.31 24300.52 150055.87 30443.75 24207.22 202653.52 164029.44 26917.47 41815.43 181255.81 109701.41 85761.5 17158.33 44819.82 36199.84 1736.15 935.42 1742.76 1262.92 1320.42 1330.9 1806.53 814.39 850.12 779.56 813.32 1151.38 1037.1 1263.89 1399.69 872.51 1738.63 1606.24 1429.9 1336.94 1400.04 2176.04 1271.0 1528.89 1196.0 70008.92 70001.85 69022.45 70523.81 69910.96 69346.4 69004.62 69897.05 70064.98 3-Dimethylallyl-4-hydroxyphenylpyruvate 1336.26 6128.53 2875.96 5134.53 1331.07 2160.16 5387.98 7574.47 3617.69 10025.14 7184.54 7152.17 3471.05 9597.64 7001.72 8624.03 8857.31 7364.86 10599.1 9494.97 9183.26 4146.38 8846.1 3163.12 5158.05 7750.42 5212.65 4351.62 6168.05 7477.72 5403.07 5510.52 13094.11 6365.51 5907.99 6916.08 7359.83 9777.37 4649.65 9546.07 7571.75 2705.43 5269.22 7545.46 4757.6 7347.43 4969.8 6546.56 456.32 5933.53 6686.5 9560.1 6217.35 6834.58 7051.69 4959.61 9526.84 7183.3 9010.45 6511.3 8897.95 7727.84 7800.45 8331.15 7358.44 6576.72 7454.84 6469.41 5522.56 6831.75 6880.28 7125.65 5460.5 4498.75 8015.33 7622.68 7525.15 7577.54 7527.53 7829.28 7804.99 7806.48 7803.47 7922.61 2,4-Dinitroanisole 627.46 1060.01 631.83 1221.52 1629.55 1202.6 1046.82 1848.46 590.5 752.04 971.42 993.8 1741.32 2201.19 2260.58 1489.89 1184.4 903.14 1496.73 864.23 1634.21 1756.69 492.35 589.32 1209.03 1047.79 1248.13 565.7 589.69 1016.65 1457.65 1179.92 873.29 628.53 1223.71 1229.62 950.7 691.61 655.29 1268.59 1134.31 993.8 2021.93 1115.15 1601.05 1155.92 1368.58 1823.74 700.47 1371.43 885.85 833.7 1108.41 1971.15 1364.24 1615.78 1233.55 918.72 1050.46 1044.77 862.69 1187.33 1020.77 1129.46 1239.69 678.07 905.23 626.81 585.67 741.39 1084.51 1135.35 896.55 468.04 1175.19 1303.58 1005.32 1456.97 1344.6 1358.04 1322.65 1237.66 1206.05 1293.36 (3S)-3-isopropenyl-6-oxoheptanoic acid 1476.94 992.01 3568.38 2928.83 4467.94 1232 1386.66 6529.9 6763.24 3840.46 5754.97 8568.21 7262.78 6534.34 11128.96 9286.69 5986.52 8668.65 9617.06 10848.42 6977.85 5525.01 3291.38 4881.08 5571.12 2940.54 3505.04 2882.43 6150.04 2048.39 9162.9 10626.56 2539.32 2134.49 2168.8 3910.86 1069.85 1266.39 2737.44 4113.56 15993.65 12275.01 7259.48 6296.16 11471.66 7304.1 8937.51 8649.05 5254.54 16077.29 1243.13 7329.42 6068.9 7942.59 5806.12 10047.82 5271.63 2534.04 3677.15 6645.51 4684.82 3658.83 6943.79 5454.09 4068.82 5480.05 9765.45 3877.03 7002.3 7150.47 5189.4 4589.6 6642.76 8698.28 7232.51 6498.92 5840.67 5388.69 5853.85 6136.53 6132.81 5885.8 5879.94 6456.76 2-Propyn-1-al 4072.63 3593.32 3582.29 4240.13 4092.65 1876.3 4245.34 4456.55 3613.51 3456.26 2152.84 3268.73 2869.98 3474.4 3571.53 3203.79 4004.03 3340.96 3864.13 2953.39 3655.74 713.77 2782.74 3041.96 3426.81 3259.22 3602.89 3525.92 2125.17 3444.4 4001.78 3172.86 3158.16 3489.11 3374.73 4406.12 3870.76 4270.88 3387.1 4767.5 5131.79 3902.48 4495.05 4620.76 3385.54 3507.52 3329.63 4674.02 3859.35 3304.01 3983.88 3651.07 3569.09 3550.84 3531.14 3950.08 4648.42 2716.72 4272.48 3538.58 3371.81 3419.82 3568.47 3785.51 3463.7 2974.61 4321.34 3746.57 3359.15 4141.93 3610.25 3948.22 3012.77 3890.46 2420.99 3533.83 3562.67 3569.81 3566.76 3516.19 3749.85 3481.19 3467.07 3509.86 gamma-Glutamyl-alpha-aminobutyrate 2458.33 3225.02 2963.82 2254.2 32394.19 3238.64 8373.83 2535.2 9366.46 3842.3 1468.75 2664.27 2939.4 1385.24 3547.78 9937.62 1343.59 4563.75 1157.6 3504.37 2676.02 6292.2 2218.26 600.96 6526.62 2230.75 7079.3 898.44 3614.23 545.3 3363.56 1050.93 3985.71 6170.96 6143.84 7027.98 8103.46 2548.46 2460.65 5512.18 832.27 5295.31 6891.81 3312.26 5840.16 5428.55 1718.86 3674.26 5834.48 3174.72 8029.59 2481.87 5215 10889.16 7208.06 6629.36 6319.71 6543.83 12062.92 5250.72 2823.07 5991 8973.9 7955.26 6536.28 9868.54 3389.47 3306.85 3417.51 5626.94 6149.9 4529.09 5185.1 9034.71 8725.87 1456.23 1655.55 1034.77 1359.45 1193.61 1723.37 1103.41 1527.16 2038.66 2159.35 1906.1 1505.0 1935.63 1775.72 2091.72 1797.44 1748.97 2122.49 1319.56 1892.05 1824.01 1908.86 2129.77 1522.11 7264.7 7220.91 7191.9 7552.79 6945.6 8944.7 7391.79 7663.24 7201.39 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol 85783.4 98078.93 198370.43 116871.76 50974.91 58466.59 74984.35 123349.26 194544.06 182618.69 125201.85 184112.26 133121.45 174537.59 97248.21 154983.89 241889.7 78142.45 240975.88 139233.56 119107.07 114946.3 150480.73 158023.3 281466.48 185131.09 128138.13 356103.73 118339.49 192637.92 246959.89 136548.84 75179.48 154017.25 422048.56 98165.9 97748.68 73391.81 288953.04 161240.2 68762.84 109604.1 177544.44 127529.92 247075.26 111293.85 119717.21 182699.95 282154.69 174132.06 346275.05 85347.65 164571.91 179863.49 282167.47 76531.24 90951.1 193259.05 206220.99 168600.58 197285.68 100246.85 245557.54 194312 300663.36 110102.62 96852.74 267433.8 127970.9 112000.92 86171.89 142153.29 147703.46 158644.13 184542.91 183256.53 170941.65 183724.5 174412.94 170408.89 180798.61 177813.01 170567.84 170478.58 (3R,5R,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol 16398.63 29154.48 8544.78 711.73 51552.65 50933.26 7241.7 45197.6 50760.77 3781.55 1570.5 47771.74 6621.46 771.76 42000.59 1328.78 8910.64 30369.07 3115.17 49905.02 68003.5 16073.71 9813.34 2183.81 42982.91 47500.91 10013.84 904.88 46966.96 45847.27 38828.65 54677.12 47384.38 4842.28 4668.87 63408.75 21648.51 43990.61 2627.13 2720.45 33694.71 33831.37 4210.8 3220.55 62972.91 5005.87 61707.04 69228.16 4621.63 5395.02 28982.19 35369.59 5740.45 10954.35 46590.7 56335.92 5676.12 5786.57 47555.94 30406.85 3415.45 2778.33 40092.88 5952.12 2887.93 49306.36 54759.86 5185.49 3731.97 56914.67 43147.69 5695.62 4395.6 5754.55 6729.61 27294.29 27597.47 27450.92 27291.99 27607.5 26482.86 27596.83 27348.41 27289.8 (1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-8,9-bis(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5(10),6,8-tetraen-16-ol 19582.76 18196.45 14661.48 22615.24 715.61 16982.05 27550.24 26571.32 16112.19 20750.35 11909.09 12536.25 14629.56 16166.19 16407.11 14947.19 20219.09 15782.64 19065.79 15261.95 15429.11 11389.78 836.6 17900.56 16514.89 21181.66 16255.4 15340.24 17473.24 12125.9 13652.19 18444.59 12606.85 19782.07 16901.99 19893.3 21667.38 24963.49 16926.35 20234.61 16486.98 15409.75 15143.19 20416.66 16187 14928.42 16177.35 16567.19 45102.98 14431.02 18555.91 18060.67 15152.39 11506.11 21024.62 16464.01 18142.04 15594.3 18024.72 23671.5 20016.13 16506.59 16786.6 17954.67 14749.39 14709.52 16684.4 15446.14 19642.04 14995.01 15294.37 18736.45 38689.23 53623.1 21978.55 3430.67 9311.12 3266.6 3425.9 3447.7 3205.01 3782.73 3448.69 3949.59 3977.98 5523.77 2358.35 4469.25 3406.6 3508.37 4985.77 4883.44 4072.78 3629.59 2880.19 3698.66 3379.11 3279.36 3744.37 3185.07 17028.19 13836.65 16218.41 16658.74 16081.46 15784.7 16662.35 16712.77 16718.82 L-Fuculose 117898.89 294724.56 244744.33 101654.7 127564.39 43015.35 63651.59 140458.67 98999.13 172210.6 13200.96 116429.6 270146.69 126857.73 67508.15 45258.17 54756.65 97294.53 170740.34 44650.41 206283.38 28509.37 91649.74 159391.16 197794.56 100425.26 194192.65 175500.9 169441.66 194235.5 106893.31 98961.84 28116.12 226339.93 60742.01 313216.62 85314.9 28742.35 206261.27 358780.82 145994.98 85042.66 87796.84 80593.19 84808.46 76688.63 70175.71 142151.97 124807.91 55799.87 74072.72 81204.77 122796.79 55539.05 235721.97 106504.45 148172.21 82006.18 59723.12 43293.35 140149.79 231357.28 42549.23 40516.46 34803.45 120574.05 126181.63 264037.16 368572.82 90416.86 37385.83 61167.78 33195.63 59006.24 40242.36 85323.42 85311.6 84867.02 85771.09 84873.03 84853.22 85072.95 84342.4 85241.23 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione 69574.41 70626.93 131619.58 128808.31 41556.81 47898.88 95236.16 95415.52 55173.96 127384.95 125496.4 112993.8 184512.92 153916.76 64465.03 123560.18 94770.09 54458.24 152457.12 1452.16 56161.26 78173.97 166806.16 145934.85 85797.24 94532 147165.14 167560.01 81115.08 21171.41 36832.54 199241.05 40918.58 195337.1 145718.31 87629.89 75524 71652.74 163103.85 120514.04 17236.8 115567.93 165860.68 131584.11 62547 123181.29 61260.02 131163.19 106725.96 170807.47 75104.38 102544.14 181308.55 181699.25 64254.03 88210.26 118108.36 104545.04 55574.08 60649.17 120416.41 146390.53 65779 125776.01 68373.78 100322.09 28008.82 156401.41 142732.01 67689.3 49020.62 153469.68 113426.24 124632.46 158427.3 100307.75 100736.01 100302.5 100679.7 100304.82 100533.54 100509.14 100682.73 99384.13 5-Acetylamino-6-formylamino-3-methyluracil 2397.09 718.83 2185.72 1451.35 7057.97 1788.03 5766.37 10240.88 5699.39 3917.77 1050.61 2941.15 1749.81 1220.54 3070.43 3309.87 2072.44 3796.38 1755.94 6380.78 3697 2897.32 2810.1 1748.04 3831.32 4112.47 1467.78 2210.55 9865.59 667.99 5843.37 1315.11 2945.68 3433.8 1092 5223.53 3330.79 2615.69 2325.03 1902.43 3676.58 1117.38 1729.12 1018.82 3689.57 7163.68 2802.54 2958.69 1654.78 2543.49 4168.92 2475.42 2000.52 5233.16 3472.07 982.18 2411.74 1141.71 3061.98 1906.35 1010.53 3248.63 2694.68 1612.09 2607.72 2953.37 475.96 2852.7 2091.16 2236.32 4185.08 2543.98 1310.11 3335.12 4183.68 6913.37 6505.17 6418.22 16214.58 8838.48 8162.61 13202.23 7315.13 5485.58 7244.48 5825.67 5091.62 5974.51 4303.65 7090.58 4283.69 10047.99 11325.14 4516.54 7842.78 6937.39 7360.64 9276.11 7492.2 6627.48 3969.21 3954.25 3957.1 4248.11 3808.3 3806.98 3806.23 3955.64 3942.39 Ergosta-8,25(27)-dienol 168943.34 138845.86 147753.54 23523.31 149502.97 645460.41 6210.16 16431.33 220494.89 182449.54 9476.95 368460.74 206125.15 263291.93 119759.61 104057.69 188147.18 121403.05 295084.68 366069.34 361181.55 247132.14 166370.6 32895 70555.48 262438.06 58149.33 113633.67 254498.39 246885.85 526522.49 376347.56 186779.87 114353.28 96174.95 193657.9 116868.28 256243.33 67498.73 105457.11 241398.4 209304.78 153882.77 104665.98 241948.12 115027.67 152457.22 256108.36 170417.91 348232.35 735327.29 258544.33 165534.52 234139.05 224721.05 187841.81 133094.27 73835.3 167270.71 106255.51 58933.05 52516.07 95424.44 108993.81 198530.19 116544.58 388192.31 172255.83 144991.45 102106.48 248235.72 144924.4 124932.67 145025.34 53489.64 176349.39 177280.13 177069.89 187503.06 201397.77 189547.34 179925.2 189613.82 172040.08 PE-NMe(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) 3361.81 1460.34 1116.38 1916.97 1879.74 6004.79 719.94 5478.96 12248.2 500.51 2575.09 1797.62 3458.32 1416.29 3638.71 1085.95 1123.65 345.4 3086.56 1504.51 4948.06 435.74 1873.65 1263.21 6509.33 2525.84 3939.9 2263.84 5528.05 2028.34 2589.85 5146.91 584.2 4198.57 2717.99 3736.41 3433.31 3552.79 2468.51 3356.8 1741.68 5948.5 6149.06 4182.81 3511.27 3636.44 3124.23 8474.81 7599.13 6866.04 3507.63 6271.78 8052.55 12826.75 5595.92 2790.08 3556.66 1384.11 2024.55 1070.56 2698.03 1962.4 3050.71 6504.48 2508.85 4075.15 3963.77 5390.25 2075.37 5204.96 1787.59 6384.34 3773.78 9401.48 6209.08 6073.29 5613.42 5287.17 5459.02 5617.47 5611.74 5440.03 5622.58 5524.19 2-Ammonio-4-sulfanylbutanoate 3160.07 1454.82 757.45 588.05 2516.29 6429.5 899.64 2552.76 1508.84 1628.41 1499.56 1286.97 1195.67 844.65 2195.7 2512.99 564.99 2433.66 2405.51 5411.97 1991.86 2109.88 1139.71 1303.27 1088.72 1045.23 1427.15 1228.62 2632.94 1335.29 2386.1 1895.18 1026.54 973.34 1198.32 1605.33 1976.04 2387.49 944.58 399.67 3916.65 2972.94 1368.86 1620.57 2073.01 1228.54 4024.7 2643.42 1197.68 3327.08 2296.98 2005.77 624.73 1205.23 1573.06 851.75 874.11 772.68 1538.92 406.83 615.35 990.1 935.69 852.98 2805.07 2598.77 3202.69 707.98 1733.91 1996.44 2000.68 2825.06 1629.69 1395.38 1603.6 1917.38 1785.52 1922.43 1905.45 1884.89 1816.94 1815.55 1787.88 2010.41 PE-NMe2(14:0/18:4(6Z,9Z,12Z,15Z)) 455.86 769.32 553.42 772.83 682.56 651.41 522.25 491.11 379.63 608.9 214.21 647.01 727.83 274.3 470.8 1472.14 787.03 313.68 379.14 279.51 406.71 586.18 203.45 672.9 525.23 437.01 632.01 804 368.84 457.9 304.33 359.86 623.26 555.47 621.37 731.26 621.66 655.87 231.08 262.6 4627.17 916.17 435.44 302.1 374.11 404.31 596.06 950.36 868.89 829.5 497.54 489.79 242.53 519.1 325.27 540.44 1065.88 505.91 548.39 906.49 783.38 217.78 625.48 521.14 320.12 889.71 520.39 840.96 553.13 593.72 230.15 232.26 626.5 667.86 203.67 1410.28 1351.83 910.43 1534.96 1325.51 1412.71 1301.95 1416.65 1323.11 (3S,7R)-11-methoxy-3,7-dimethyl-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione 15672.63 6328.11 1011.14 1585.09 3764.66 1172.39 925.57 3920.1 13394 5900.68 2228.26 3595.77 1808.18 1723.74 8718.04 7094.92 1348.54 5586.01 5271.86 13250.33 5863.77 403.26 1055.53 2423.62 1804.03 6234.19 2287.37 2655.93 10706.07 3708.69 4907.58 5334.76 2313.12 1698.97 862.88 1257.4 3001.07 568.79 1528.52 1418.29 932.2 8795.79 1820.78 976.05 2236.78 1027.14 10799.51 5774.56 3259.86 7763.97 6023.74 1650.75 1928.34 588.66 6255.61 2692.12 1103.33 1025.55 7021.68 507.88 1529.05 473.19 4130.85 2299.03 4859.77 4757.76 4591 5199.07 6388.99 8936.69 18479.13 4688.93 5708.36 2197.05 1242.51 4719.74 4874.16 4812.58 4802.96 4869.54 4729.09 5203.52 4464.07 5171.71 Myxochromide S2 10994.99 842.65 557.04 12098.56 804.2 1284.54 17032.03 7814.54 17608.68 13780.55 387.69 790.85 815.45 11249.4 608.14 542.41 6144.43 711.46 670.24 728.02 543.64 370.96 987.26 366.86 385.77 623.97 10403.69 10322.04 6701.11 4294.98 11031.93 835.31 471.4 16249.74 9204.45 3991.48 13452.32 12279.71 11417.43 7137.88 25451.98 20696.05 6055.88 5708.29 19680.83 8664.81 6479.68 4209.1 3947.05 4160.8 12275.4 13149.82 6884.75 8393.48 8693.07 12064.56 5752.29 5012.14 9985.89 10021.2 6363.4 8424 10427.56 8487.41 5493.12 14561.75 19734.07 6997.03 5882.97 11805.14 13673.05 13229.63 8423.07 9078.2 10195.94 11541.45 11696.07 11702.1 11471.8 11695.82 10596.95 11700.05 11537.29 11535.77 Indole-3-acetyl-beta-4-D-glucose 1025.02 2260.57 9350.65 7132.99 1336.82 1422.86 8219.25 3308.43 3795.53 7774.65 5481.54 8194.94 7552.63 6861.8 4364.96 10079.04 7470.05 2766.2 10094.94 1600.9 3440.77 3573.22 5199.12 8875.1 3520.57 3661.3 7405.4 8176.5 787.13 3753.41 2860.36 12756.57 945.86 9232.88 5682.7 3969.05 3464.81 3884.87 7822.75 5536.51 2567.73 3202.87 8633.45 6640.08 5556.77 763.12 6060.39 9388.59 7790.95 14481 2715.69 4806.53 8121.86 9017.47 787.25 3370.26 8024.99 5026.55 6199.83 3606.9 5559.6 5500.79 2621.74 6190.03 5263.81 4469.39 5017.38 7664.95 8522.69 5863.04 3473.64 6298.2 6871.97 7264.35 4334.15 6235.73 6215.59 6741.88 5203.37 6292.07 6118.04 6085 6289.83 6080.97 alpha-Tocopherolquinone 50969.13 40243.15 44035.97 32585.36 40172.64 214400.46 34888.3 34528.31 76505.12 60908.81 37230.69 137475.79 100483.31 89019.95 42064.82 48857.45 56891.14 48454.91 120509.45 210151.76 141712.3 87032.66 58677.67 11858.07 24332.07 78605.93 21702.69 24299.35 90112.55 94895.88 198153.16 166382.31 62522.59 39517.83 35893.22 49166.26 38209.2 80681.02 28286.49 58576.37 117097.76 99872.72 66273.25 43269.55 98398.46 12245.75 45162.78 101429.92 68897.74 197685.36 199047.49 66693.68 46256.94 102224.91 57088.54 73115.85 41170.39 10267.54 31208.95 32256.6 19136.8 18032.9 31784.7 38711.19 61045.57 44959.68 136108.22 70112.61 46617.38 36486.82 82522.77 46913.62 50479.3 60379.63 37492.27 56363.95 57652.2 57621.09 58550.75 58056.06 57899.98 68840.99 58639.51 56119.47 4-Carboxy-2-oxo-3-hexenedioate 2949.8 3690.38 907.02 587.61 3041.7 702.56 4479.86 6711.06 3530.25 3546.64 7154.68 3496.9 2960.7 3599.95 3553.04 3306.04 3813.74 3800.11 3825.58 3872.91 5214.53 3985.09 1254.27 3154.1 3288.65 4052.99 3694.47 3238.43 3282.28 2289.1 3787.9 3669.33 3780.9 4196.34 3705.62 3335.91 3952.13 3664.39 3234.44 3726.05 3623.15 3108.25 3623 3062.36 3566.94 2361.02 2896.89 4164.52 3068.38 2938.96 3550.34 3245.47 2048.48 3557.12 3932.24 3883.25 3198.06 3857.48 3459.57 4027.77 3725.68 3644.9 3654.16 1740.85 3661.3 4175.16 3678.29 3525.23 3362.07 3196.22 3856.42 2073.69 3562.82 2726.96 3369.31 3534.36 4686.87 4345.97 3729.1 3546.11 3923.67 3904.47 3425.38 3260.42 3766.47 2652.29 3244.93 3189.25 2985.7 2925.08 2190.02 3129.27 2893.46 3158.64 3191.38 2879.89 3051.32 3027.82 3004.16 2452.81 3142.68 3193.75 3188.17 3190.02 3232.1 3165.32 3188.9 3362.27 3230.59 trans-Hydroxy Perhexiline(Mixture of Diastereomers) 5744.28 6817.23 4364.64 4516.04 12519.08 11571.7 9181.03 8996.08 9250.01 5663.55 4956.84 6325.19 6986.03 4618.83 7943.3 8455.35 5631.35 7672.65 10553.02 12322.85 8192.91 5940.98 4451.37 5988.93 8385.58 9116.05 7127.49 6886.69 8686.86 7573.57 6919.69 7653.02 4792.9 5411.18 5183.07 7136.51 6847.05 9041.3 6329 6016.32 10689.49 11420.1 6235.8 4785.2 11156.54 7892.88 8866.14 7250.17 5200.64 10384.34 6064.38 5883.97 5860.02 7363.3 5417.57 7264.97 4570.3 3619.71 5317.36 5392.87 4265.72 6052.4 6789.56 7584.55 4062.55 8689.04 9011.45 5341.49 5887.85 7900.31 6144.8 7103.54 5519.95 5635.31 7497.47 7775.89 7758.08 7755.12 7671.54 7669.15 7541.12 7669.54 7688.68 7755.52 [(2R)-2-(18-methylicosanoyloxy)-3-phosphonooxypropyl] henicosanoate 2572.92 4548.93 1650.42 1635.96 1693.47 2082.31 828.46 5315.2 2261.34 1584.91 11999.07 1993.77 7861.21 1526.72 569.55 3466.9 1121.23 1667.66 2039.66 2531.46 2512.5 1875.1 1693.5 2446.92 1766.09 3527.3 1948.71 3656.9 927.38 1776.19 2038.66 1769.13 881.1 1997.81 722.66 1282.75 2285.99 1708.44 2098.2 1258.52 4094.15 1926.58 1448.13 965 496.64 583.98 2815.82 679.77 1486.19 1549.21 3279.95 1386.17 1500.1 1087.99 569.12 741.38 1809.39 552.3 1839.57 1051.71 1460.12 1427.47 1455.87 1323.5 1467.24 1893.3 1976.86 580.69 2525.28 2423.89 2735.65 1504.62 1590.02 900.12 1091 1488.86 1713.72 1923.91 2077.4 1844.01 1884.15 1720.7 1756.63 1544.01 Ent-pimara-9(11),15-diene 5619.74 6303.48 4374.77 5101.15 10409.55 11923.85 9395.93 7851.62 8576.63 6324.26 5121.37 6576.3 7973.38 5115.61 6323.04 9301.79 5737.94 8321.84 11147.27 11527.25 7738.96 5544.74 4334.45 6533.2 7231.51 8208.94 6988.82 6796.53 9978.77 7801.88 6875.42 4962.2 5170.81 6243.65 4676.83 7890.59 6680.88 8606.89 5771.79 6271.59 8976.12 10383.2 6187.69 4835.27 10556.08 7479.71 8710.25 3449.86 2962.43 11014.35 6527.41 6042.11 5824.14 7724.57 5263.95 8334.47 3649.08 4495.42 4914.55 7680.27 4752.6 6394.08 6182.9 6420.66 4012.89 7985.02 5905.41 5881.81 5674.14 6485.07 7353.57 7783.13 5363.03 4989.63 6463.27 8340.58 8237.88 8238.5 8254.28 8240.99 8235.55 8192.7 8573.08 8267.68 PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1274.48 5451.7 1663.53 628.08 1687.47 2690.41 1533 2392.39 1534.23 2377.3 1154.02 2349.57 2013.98 2182.48 6417.04 959.71 4518.14 11613.52 13338.97 2383.07 10205.77 669.91 8941.56 9885.68 1886.37 723.41 9945.76 588.07 12758.63 1986.54 418.21 2911.95 8642.74 664.53 1372.66 474.56 2436.52 1726.2 1369.15 2062.75 1597.17 2414.26 2005.64 927.88 747.68 2792.42 2859.29 2463.94 928.94 6699.97 1939.41 1136.78 754.02 2720.42 1917.84 8014.12 3061.89 573.69 3132.99 818.81 1042.37 3049.1 1076.78 2045.72 2368.27 3607.64 931.08 4598.79 2649.31 3290.73 4628.32 702.29 2054.71 1732.63 6190.84 3129.4 2958.27 3275.08 3407.23 3101.73 3024.18 3401.26 3081.1 3195.73 Glyceryl erucate 6313.56 6733.88 5490.32 21175.83 7414.11 16720.84 9805.23 7855.66 6574.57 5320.12 6748.29 9000.15 9161.1 6242.67 6768.01 9770.63 5801.57 7471.87 2609.9 9068.72 8008.58 5978.32 4380.24 5531.67 6323.83 6787.99 6411.34 9095.05 5561.2 6887.29 9865.05 42596.08 5101.44 7675.04 6709.93 6774.75 7509.22 6816.25 5788.54 5288.38 17002.26 22825.85 6287.07 6943.53 5993.06 23314.83 6263.89 6174.99 5985.69 7299.63 7811.19 6277.39 7648.86 1541.71 6122.5 6666.77 4851.43 6842.21 5205.1 4913.89 6375.77 850.01 6754.24 5117.76 4874.79 21523.47 6153.47 6349.78 6531.23 6431.61 5923.41 7569.4 6648.07 4432.17 7660.1 13330.31 10405.67 11289.49 10671.28 11385.64 11491.01 10705.32 11532.95 10857.62 (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione 39623.76 44996.67 43257.86 22849.22 12474.41 5507.92 11723.3 26467.58 14709.16 8657.23 15506.27 26197.33 26203.64 23758.62 21116.54 24156.79 20441.98 14341.8 19563.74 10312.62 34222.41 15298.77 9901.69 23912.09 22200.3 18824.85 22035.39 39175.27 27123.72 38522.04 27559.07 40668.87 5157.62 16990.32 17833.61 24589.05 58703.76 19747.96 24389.16 17240.75 26772.46 83848.07 27308.35 24512.67 25419.87 23338.53 28879.54 26919.6 38962.86 64196.67 67679.48 44247.09 33776.97 43741.94 38097.38 18632.52 21106.78 5572.84 25912.57 15829.9 41533.41 35789.08 26836.66 20898.35 29499.53 51109.55 32272.03 24438.01 39766.9 34258.46 23822.59 15004.12 44446.43 44262.68 22326.31 34709.29 32665.75 32648.19 35562.06 33656.47 35002.13 34964.87 31160.42 35066.98 PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) 1690.68 2289.46 1481.04 2097.14 3151.17 2540.52 1382.99 2536.97 470.66 2250.41 1997.18 2623.49 3942.24 2167.4 2699.73 2556.68 2002.18 2841.28 2931.77 3802.02 3693.25 3961.13 2159.47 1977.63 2061.42 2063.76 1713.26 2057.93 3481.54 3332.14 2322.57 3624.7 2747.32 2316.06 971.31 2586.75 1253.87 507.43 1628.52 515.09 1617.39 2644.48 611.98 614.41 1367.05 461.91 2607.85 2203.35 1920.95 3274.29 926.41 2349.44 2739.59 3189.75 654.6 2379.65 2138.28 941.11 496.81 755.23 968.52 437.71 2669.89 1056.57 1265.9 1702.04 1145.06 717.35 556.75 2607.91 1225.41 1830.25 827.77 3216.02 1169.86 2215.93 2497.86 2570.83 2489.92 2564.5 2566.34 2651.85 2512.15 2488.63 Precorrin 6B 77965.14 97490.69 66066.67 72543.86 105416.07 120328.19 131681.16 63495.96 77463.6 84426.14 54160.84 78723.64 100668.03 100778.79 84104.87 90698.15 82597.3 99501.72 108766.13 113055.95 103759.32 76055.32 71830.14 46562.45 62345.05 103402.63 63272.72 64802.1 102973.64 89761.71 109404.58 132690.28 70520.56 71392.91 42386.62 65909.31 34743.83 182421.08 41651.66 30575.29 103911.2 127266.14 51305.38 124245.23 86793.12 106659.48 120281.87 49278.3 78030.56 127988.09 111435.51 118931.48 98381.83 43248 40827.17 138067.49 267173.14 15773.05 273481.4 34179.68 56166.71 19738.43 118707.81 13759.14 48816.77 112061.14 125823.27 110548.23 131344.92 44053.71 66976.07 142889.94 37216.6 70109.12 28916.13 119028.82 118626.75 117870.56 118712.89 117909.4 117894.15 118725.79 117899 117569.44 m-Xylene 1692.07 570.19 3511.59 3233.28 3063.51 2696.5 4692.71 3191.52 2937.45 3263.3 4345.81 5520.06 5335.73 6729.98 3137.75 3695.57 3840.99 3886.79 4582.33 9166.35 2728.22 3704.38 4011.54 3962.48 1567.88 3831.76 3354.14 4083.28 3219.74 3896.34 2543.51 8521.02 2030.67 3891.13 5360.05 5241.33 2097.13 1531.64 4090.69 5680.83 4502.75 2625.44 5400.98 5921.86 1020.85 3438.76 4545.04 5903.56 3205.82 6382.27 750.41 1320.09 3243.38 4316.84 2143.11 4664.89 4868.83 5027.01 1711.03 2152.22 4417.69 2931.74 1779.1 7477.97 3861.01 2422.58 1286.47 4904.6 8867.18 2098.82 1445.88 5246.03 2237.54 7078.05 6828.19 3210.17 3377.02 3269.18 3643.02 3482.38 3484.14 3477.51 3470.95 3374.62 (2R,3R)-2-Aminooctadecane-1,3-diol 34249.1 48004.51 13509.95 20950.42 16540.44 12831.4 35184.78 37438.51 53840.4 17708.24 15521.14 28266.13 16465.93 15867.78 43575.78 35290.99 18243.41 32670.37 69913.91 102212.91 32924.95 10558.96 12537.14 16060 27659.29 28978.42 36413.52 27607.74 41203.02 49007.44 42963.22 52535.74 27562.16 26814.61 16725.55 37051.74 26934.12 9857.7 17693.82 14211.98 33647.62 41048.3 30106.16 18525.77 31008.37 14754.54 40234.86 97376.11 22368.3 45943.3 15119.71 21542.4 22443.05 23472.37 18433.61 32726.26 9128.55 8468.97 26423.48 16119.63 21268.91 8752.31 22609.32 25927.9 22379.12 17155.67 47929.21 37725.77 37750.5 33242.21 52354.1 37818.57 12728.97 33011.48 28688.94 30311.35 30129.43 30310.01 30166.59 30285.89 30374.01 30307.62 30309.14 30166.68 4,4'-Diapo-zeta-carotene 1539.82 19685.22 13519.06 84557.68 22493.13 25795.3 123781.18 12246.45 13145.92 12349.88 32703.48 13990.76 154913.43 15690.99 13142.72 12412.37 18895.38 3570.53 15230.07 16798.87 17134.99 18201.63 16402.86 11405.15 12799.72 20418.94 21692.01 16659.47 10144.48 23458.25 14985.93 26705.99 20203.02 55788.57 11564.31 18278.42 16389.31 23022.04 14077.61 19623.49 22505.94 24847.77 11161 14822.46 16455.47 38524.5 16154.86 16091.51 4042.97 37929.87 16297.07 17335.46 13138.48 18940.12 4293.64 16680.52 18990.6 13307.34 15706.23 17968 17524.87 24354.57 13838.55 14105.12 13188.19 50302.94 14535.24 12511.26 11777.49 12952.52 13743.36 16051.17 10236.16 31764.55 75990.34 23055.85 23417.44 23729.02 24661.16 23915.28 23417.8 23687.1 23411.26 23398.35 19-(4-Hydroxyphenyl)nonadecanoic acid 8936.56 11016.17 3207.18 5724.88 12659.13 15914.72 6523.01 11511.37 11630.94 6153.8 3561.53 4599.73 1617.49 856.36 10633.88 5014.35 2443.06 10215.8 7679.23 18521.73 9010 8504.71 3138.04 5236.54 9132.37 10925.93 5181.22 4025.3 6741.17 2580.48 11683.17 8709.91 6762.99 5361.72 3457.7 7771.56 11143.57 8158.06 2950.03 4714.95 9332.14 15528.63 4634.44 4536.38 11495.89 6825.34 8410.54 7118.7 5381.86 7962.87 5794.22 7756.45 4213.22 11295.48 9903.93 10977.29 2978.6 3209.06 8386.59 7495.53 3860.84 3872.94 10718.25 7514.86 4472.06 9735.1 14116.57 4308.23 6662.45 11549.81 12528.71 8006.8 4654.5 5718.72 5274.31 7242.05 7397.75 7239.09 7467.23 7327.85 6930.93 7242.08 7446.29 7453.83 4-Hydroxy-L-glutamic acid 80445.43 97239 74550.74 111332.08 78482.43 81082.67 58992.44 19488.81 74576.69 82847.18 57317.52 45035.48 59197.63 20964.56 21629.24 74205.92 78265.9 73756.73 75621.21 30079.64 70306.67 19942.89 21260.47 70821.15 73128.24 84563.52 73120.75 110923.98 112537.01 65098.55 74849.29 76162.57 60174.94 70185.58 71358.11 35842.18 82432.44 66024.89 70601.68 111028.45 81702.65 67904.74 75203.94 30617.89 114106.73 67374.62 71587.62 62544.19 74976.45 111022.59 61612.3 63624.06 71775.07 55807.53 88203.96 68242.19 24115.1 67404.86 68529.26 68125.76 65173.81 15269.2 62922.43 26064.54 20409.71 60369.22 19639.7 65052.32 65009.98 54957.1 11647.03 70958.52 71862.32 56384.59 50503.1 61659.97 65984.14 56626.19 26014.24 65066.96 74579.33 64789.53 66120.13 65793.48 3-Sulfolactaldehyde 10245.82 13005.7 13752.31 12199.17 14399.94 18637.06 16447.81 16703.69 22228.17 19850.27 13418.24 16033.6 11562.7 19711.78 7182.57 32372.31 18379.92 24676.46 24245.25 8244.55 24133.46 13516.08 18842.21 22456.33 11309.95 11711.76 12818.46 11964.35 24464.19 22127.54 10330.65 22445.3 17500.74 14078.75 14692.2 15933.24 26670.25 23411.4 13569.84 6680.13 22872.5 24686.7 30708.69 18555.3 14136.95 15938.77 14140.88 16827.14 25418.39 16260.73 9478.18 16028.33 6369.15 5004.59 8799.81 14926.16 14856.17 15414.72 6886.87 8060.87 13912.45 15853.92 15883.61 5563.85 18174.92 10198.92 6656.88 13720.82 15193.25 10066.57 13175.47 8240.45 12053.13 22868.48 8560.12 12037.95 12038.03 11962.45 14329.12 12586.95 10375.79 12556.38 12835.05 12456.35 [5-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid 11372.6 4450.41 483.88 5601.44 10771.18 5429.79 3160.89 13807.3 4078.73 2677.38 3980.12 8830.59 3870.1 7242.34 5776.89 6102.77 3932.78 10283.05 8348.25 6138.02 7905.1 2417.61 1294.52 894.02 16456.66 5533.41 5312.13 9783.02 9542.43 11402.54 14927.05 10377.66 1231.41 1324.45 1930.66 16538.54 8674.56 1510.68 2610.42 6676.53 18439.16 15619.84 2936.05 4026.92 11802.99 4250.8 8290.01 6297.73 9695.32 8581.56 11714.87 2625.06 1673.43 5029.76 6136.38 2044.47 1401.65 1012.71 6401.13 1273.28 3428.61 1371.22 2168.38 2065.09 774.32 9790.58 2991.67 11120.24 10381.83 8313.15 2151.51 6590.21 9675.69 1843.15 5111.44 7784.39 7842.69 8090.96 8098.05 8071.43 7965.17 7756.99 8414.4 5103.21 brassicicene C 26548.25 39926.37 35301.4 10112.69 12829.8 17412.37 14390.18 18902.4 56321.26 27011.95 12234.39 8055.92 2490.75 1080.73 5931.79 62782.93 23892.42 1404.35 40074.71 23594.64 45487.65 2902.28 38972.33 14193.58 22008.84 48268.91 28861.29 25457.38 1758.44 31369.44 31543.97 11946.75 1996.94 4223.55 1533.65 5233.6 54664.69 44140.07 5234.42 15734.63 5956.02 5648.83 96351.06 16339.32 1260.95 32801.13 977.47 90406.11 1238.94 12720.51 7520.96 3174.63 9969.85 17646.55 2919.58 62333.13 27668.29 2179.14 5920.86 13211.65 6008.07 15715.06 3600.98 37594.84 9286.16 1621.46 36031.73 38188.61 13146.67 16701.77 55639.9 27639 29130.73 2461.98 1423.44 13329.94 11153 11200.27 13646.39 12771.79 7706.61 12513.02 7367.61 12517.25 Eudesobovatol B 12960.62 16267.04 14693.75 10813.46 20025.94 14110.11 14870.31 24822.86 14106.52 15631.82 29570.43 20991.35 15772.26 19573.36 17202.31 19050.57 17088.92 16291.06 4049.92 24155.48 33997.76 19030.26 19367.26 19177.46 14031.95 16140.34 15958.43 11943.75 12957.85 15603.11 18846.08 14628.68 23008.18 28988.8 18282.84 15689.27 12738.48 20175.77 14868.63 18412.3 26122.27 17798.33 21421.09 16310.91 16481.87 13946.8 22897.25 20171.85 11099.53 13088.63 11692.33 16771.6 12281.77 20117.68 22171.88 15996.9 4717.99 16200.29 16777.68 19814.27 20104.18 18749.62 23810.41 16468.71 13317 20198.35 15011.21 20789.02 18024.39 18299.92 18108.18 18506.19 17049.98 18796.44 12917.38 14308.82 14228.01 13635.9 13903.06 13266.25 13956.3 13466.74 14226.86 14240.95 N-Acetyl-DL-glutamic acid 1003.52 4406.88 2186.52 5547.67 4186.93 30513.12 2903.31 2771.7 2287.46 1225.58 3644.54 619.93 2088.19 1731.86 6505.39 4744.18 3954.35 4786.81 689.58 4505.17 657.42 2134.61 904.07 1260.79 1369.76 2230.72 753.64 1240.14 1617.57 2002.03 2266.74 1922.81 605.81 842.22 1713.15 2016.93 4541.32 2062.39 3608.18 5551.76 1390.57 1853.28 2344.12 633.09 4336.42 1374.06 4131.63 3109.91 1075.85 2496.82 1035.4 3020.87 1557.52 4554.58 4869.44 6139.31 5793.59 3522.63 1815.48 1391.5 1571.4 1433.74 5245.95 4711.32 1567.44 5662.71 909.4 2058.72 3936.81 3727.84 3552.15 769.48 5534.15 7486.33 8715.35 2303.06 2771.35 2347.83 2321.93 2165.39 2124.4 2385.69 2245.75 1839.47 20-Dihydrodydrogesterone 1772.36 6446.91 5118.03 3670.7 695.17 24273.31 3456.31 1250.92 7998.05 4050.69 5841.97 3883.92 5287.1 4934.39 5437.19 7965.83 2025.03 3646.44 2249.52 2658.67 4076.43 1498.73 8429.67 4952.77 3517.33 5655.71 4585.85 1332.88 4548.18 1313.39 3112.85 3769.53 4232.44 13874.99 5416.68 5365.78 3906.48 3131.95 5865.02 3504.57 705.22 8388.95 4784.59 5254.1 3458.9 4115.85 3586.91 3762.42 7354.75 1168.21 3414.63 5238.65 7189 11138.45 671.58 5015.58 4336.65 1570.99 2857.36 880.16 4199.98 3721.26 5954.19 5326.43 1705.03 511.88 7396.79 7924.02 2989.42 1165.68 843.11 5885.9 3713 4690.93 8147.1 4328.65 4142.65 4231.95 3872.85 4686.71 4311.28 4308.58 4139.05 4214.15 Tuberculosinol 1117.22 611.16 254.47 232.86 584.56 1109.97 1031.17 1191.23 644.79 432.07 245.89 262.03 364.63 314.16 419.61 198.03 1554.3 338.67 368.24 771.68 666.9 425.46 253.01 269.99 460.2 368.58 254.64 433.39 234.67 545.88 560.81 305.79 256.09 253.02 563.62 616.92 794.63 718.59 347.55 456.67 770.52 689.04 395.86 449.12 588.99 332.69 503.09 634.13 273.91 683.44 381.1 343.31 617.24 708.25 632.95 405.76 217.69 760.52 333.41 266.97 509.12 431.81 1192.85 441.72 313.75 928.72 228.16 403.51 488.18 622.95 524.64 445.75 243.17 635.04 688.2 1299.76 1238.43 1179.82 1250.7 945.52 1305.29 1301.95 1297.34 1294.75 (1R,-6S)--6-amino-5-oxocyclohexyl-2-ene-1-carboxylic-acid-ester 19033.5 21124.72 21245.32 23808.55 20732.35 19088.2 18519.54 21976.67 21947.1 22886.91 27019.11 23372.59 25496.24 22655.2 23384.84 17748.6 22192.01 17861.37 17654.98 18819.56 23259.54 20439.1 22762.69 22017.89 19846.25 22381.98 19368.9 20895.7 16547.84 21294.3 20092.26 15788.24 19179.46 18538.26 22307.31 21962.54 19251.03 23655.11 20337.34 22780.75 22239.24 20101.2 21981.7 26142.25 21046.44 24195.49 20881.98 22322.42 25987.77 20363.69 20143.99 22386.13 22089.38 17392.33 16389.33 21738.79 22480.77 21283.23 20862.23 22196.13 20602.58 21113.03 20149.07 20540.09 23915.53 19531.4 21210.86 21685.12 20648.46 21363.76 17198.93 19914.65 20805.55 22963 19869.9 21327.4 18881.83 20863.72 20874.59 20847.25 20890.52 21323.22 21323.28 21843.22 Zinc bacteriochlorophyll a 2118.27 3086.51 4455.01 1803.43 4114.14 3661.82 4165.05 355.04 6438.86 6379.23 396.71 2857.26 367.99 526.7 9642.7 342.06 8459.27 985.05 2068.48 1215.28 5577.1 373.28 751.97 349.42 488.3 10266.93 3428.73 938.58 11318.85 8356.52 4325.41 3458.9 341.57 3592.76 3600.93 20476.55 6120.58 5590.99 1774.13 2285.59 9841.39 10793.34 3051.69 2215.9 6455.82 2917.39 27708.31 9042.62 6847.83 18485.29 5798.97 5547.87 3660.5 5370.75 4546.32 4559.47 2373.24 2256.83 3955.94 4084.21 2198.32 1824.2 4242.04 3945.29 2422.46 6553.39 9768.15 3041.41 3226.11 6805.4 5191.82 4574.56 3969.54 4778.3 3904.59 6880.34 6937.11 6788.98 6805.54 6876.48 6791.75 6788.07 6825.69 6804.55 PE-NMe2(18:2(9Z,12Z)/20:2(11Z,14Z)) 834.56 718.38 568.8 785.34 1667.13 627.59 736.38 1293.32 533.24 311.55 920.38 1187.32 2013.64 729.65 939.59 348.06 538.47 354.09 644.48 394.29 1333.16 1946.13 691.43 620.96 846.29 696.78 765.5 460.5 1465.27 1594.61 637.31 1018.6 677.99 1079.73 632.96 688.14 775.73 1021.62 755.4 813.28 512.45 1004.75 350.28 693.12 1462.17 624.83 689.52 1037.77 597.74 1451.75 602.7 730.43 1082.16 1441.84 954.36 839.57 442.59 418.18 344.81 540.13 791.62 602.13 385.38 857.42 723.56 949.74 321.4 400.22 441.43 817.77 341.6 945.76 681.39 987.55 474.51 1303.99 1312.18 1253.42 1305.74 1403.6 1313.72 1266.98 1270.9 1311.69 4-Amino-2,6-dinitrotoluene 3058.27 9556.02 10185.78 10842.8 4262.77 2589.49 9108.72 3262.38 3451.94 503.71 5938.13 5561.81 6226.77 6342.19 6440.93 10544.88 8809.38 1016.55 554.88 4100.01 4158.46 2814.71 534.18 9616.68 4378.05 3662.22 2987.6 3799.89 4187.49 3204.49 3783.66 836.05 4609.01 920.19 2917.36 2633.22 4646.92 1371.79 8760.12 4904.14 3488.42 6857.17 7504.32 8941.3 2981.47 6336.1 4315.57 3315.44 2635.58 1249.99 3908.84 8193.5 3483.45 1588.46 9878.28 8054.25 16878.31 8303.09 1138.89 6374.31 10438.34 4337.08 11638.72 902.01 1579.59 8329.72 5629.77 5637.85 7128.96 5441.36 7470.79 5717.23 5437.92 3156.54 9298.28 5105.82 5049.31 5172.65 5211.58 5038.01 5027.33 4475.42 5209.02 5049.95 N-Acetyl-D-mannosamine 6-phosphate 7870.44 8718.58 8853.71 4693.75 12344.54 2399.67 4704.21 7354.64 7152.1 6522.31 3805.98 2912.91 3400.84 7112.97 6248.5 6004.64 7836.11 5118.83 6763.07 5328.52 6275.73 3697.48 4044.53 3349.58 7008.45 10242.7 7304.96 9299.67 13654.72 7672.56 3865.55 7787.92 3222.83 3250.51 8592.85 6086.38 8642.42 8753.98 7951.64 9428.07 8943.27 8742.98 8100.56 7235.24 7676.47 3048.39 7641.65 7956.46 8385.49 2157.64 7961.82 7080.62 9179.33 8482.32 6502.66 7769.25 8656.36 9220.45 10129.62 7200.29 7119.62 7708.66 8303.83 7529.83 7889.43 7491.89 7721.4 8568.57 7276.3 8436.86 8260.22 11374.27 8067.06 4553.4 8225.5 8741.85 8581.83 8486.38 8482.2 9034.25 8723 8738.58 8505.77 9303.15 Tangeraxanthin 12812.04 10028.92 5221.25 1593.37 10623.62 9600.06 785.37 2261.25 6340.77 7237.45 2746.24 4918.49 2560.9 1041.89 4193.14 1950.39 1930.54 1598.51 2020.66 1325.31 6216.61 3826.5 4147.87 3496 12720.33 14483.01 5868.46 4319.43 5498.21 1039.67 3339.04 4576.48 3544.29 3367.18 4977.79 5160.2 5937.56 10805.6 3714.23 3491.82 2452.68 1442.14 3403.18 1617.3 906.35 1407.67 874.22 1994.16 1919.8 1834.95 2250 2320.43 763.29 1407.62 2192.81 1754.14 3423.36 1858.6 2128.29 1268.8 1525.18 2474.5 1503.39 1395.83 3097.58 7004.52 7101.54 3812.45 625.54 3401.28 3051.7 2446.14 1523.22 1232.64 1192.03 2129.58 2213.56 2010.96 2281.32 1680.13 2151.18 1950.14 2061.57 2014.03 13'-Hydroxy-gamma-tocotrienol 5555.81 11372.96 10275.86 7529.85 14498.52 41268.87 6274.65 7767.74 13487.1 12623.51 8909.47 10267.44 12303.62 10225.07 11850.57 11983.73 6514.53 10372.15 15211.46 19119.97 15668.75 14758.26 10455.74 10205.59 9106 11670.55 11343.21 14140.21 12716.74 11664.51 12010.35 17386.22 10071.83 17016.63 12458.01 12206.97 6563.42 22104.26 11736.95 15007.13 12383.49 17827.95 15156.6 9992.92 15616.19 3537.05 13024.67 13254.34 6739.2 18321.13 12110.76 12713.04 15395.6 23803.9 13217.08 18756.22 9504.95 12418.14 10806.37 10377.85 10466.28 7160.6 14569.38 17587.15 10034.24 18649.01 26475.81 12590.53 7700.85 10715.34 14115.21 9956.55 9885.94 20102.3 17770.17 13205.4 13916.53 13734.26 13738.15 13730.21 13737.74 13991.19 13921.11 13887.99 3-Ketosphingosine 1174.83 833.05 2217.73 2484.41 2141.69 5038.64 884.31 3164.81 1308.86 1723.78 855.68 2305.13 2190.64 3260.39 2354.15 3370.11 7027.03 6156.53 2793.24 2333.05 2330.76 1492.13 1846.25 1471.2 837.13 1377.22 1013.33 1186.02 1629.72 1352.61 2081.17 1071.51 1403.21 2196.49 1401.54 2732.24 933.61 939.84 1181.52 1457.54 1733.7 2542.49 1851.8 2444.89 1545.64 1854.71 1108.45 609.83 2066.56 2154.59 5381.01 635.06 1195.33 1479.62 1902.7 3073.81 2149.12 3636.04 2691.65 2885.16 2473.97 3237.8 1439.9 2394.76 2091.5 470.68 2165.51 832.9 1139.58 1286.77 1794.06 1171.33 1663.59 3423.35 2311.22 1809.61 2080 1811.43 1936.04 1802.18 1882.49 1778.46 1874.5 1759.45 Cyclotricuspidogenin C 549.94 517.2 336.54 1301.78 1654.52 706.69 894.91 979.5 2251.88 509.61 1542.33 456.19 1097.05 1372.84 987.43 1191.04 374.92 284.73 1865.5 2303.01 3269.02 2930.31 775.75 715.11 1914.87 1742.39 485.8 1590.81 2748.78 778.72 1242.06 720.31 1578 924.39 365.39 348.55 497.15 4432.47 392.21 1885.01 1892.82 4504.69 886.29 3463.97 971.32 682.88 503.7 2134.18 1011.28 295.05 610.26 993.22 6271.03 525.21 920.08 926.25 600.72 579.16 3192.93 614.71 7768.57 1219.88 591.31 3413.3 673.94 1306.21 396.32 610.99 739.34 552.86 996.95 1764.31 637.25 545.22 1019.36 1557.87 1404.23 1498.24 1418.32 2045.97 1741.78 1724.07 1680.7 1330.64 {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 36610.1 38664.29 46819.58 40654.7 31602.79 40167.79 52659.18 72626.45 45597.02 57878.7 72622.47 39865.82 33191.3 59087.93 46493 46556.11 43555.21 44472.79 45463.69 44967.31 49511.3 41911.61 40718.78 56295.6 45635.03 45561.05 55263.1 53319.83 44445.52 52141.08 42462.72 48548.56 40924.74 54373.23 56230.59 22823.42 53033.2 54587 57770.16 63969.63 41845.02 20524.4 60026.45 58939.88 44894.97 29044.94 44101.05 51656.38 48206.51 20219.24 41894.18 47986.7 54749.98 52663.04 52912.99 51643.44 52734.12 63001.25 38378.88 55107.97 62683.53 30711.4 54941.54 59021.83 60278.27 44764.95 35096.03 57894.95 62246.52 51081.09 45908.93 59295.52 58538.72 59584.74 61838.32 42659.88 27988.97 42679.33 41017.53 42677.62 41476.49 43528.49 41316.3 41306.82 (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione 201864.51 120381.73 85576.68 88527.78 87279.22 53821.85 50217.91 130563.62 78786.87 63636.05 114743.1 235741.11 127826 141013.75 121817.27 153813.72 166766.46 137683.69 117142.2 113122.98 128628.3 35522.02 69318.43 103057.55 135269.52 140157.21 112040.05 167522.42 131400.71 189807.38 134353.78 229645.83 69247.36 65561.29 185536.62 145649.3 161663.75 133351.84 122111.93 109645.18 151170.2 316845.54 131330 151455.29 138285.88 143539.54 127126.87 138654.2 98585.23 209422.38 402401.45 255156.61 161570.71 490578.94 194394.24 120894.73 71668.91 39518.5 137434.15 91028.77 133659.66 186694.42 105289.87 108668.63 121267.76 272372.86 238252.1 118902.04 159479.63 158464.22 94899.65 86623.32 190199.32 99633.47 118232.11 132349.61 134222.95 134315.51 136278.03 134478.03 136447.25 137135.56 135805.17 134973.07 7-Oxostigmasterol 3837061.08 2163001.06 410234.22 849488.18 1505931.69 305096.26 1113509.9 1443789.22 1056859.08 1390982.13 636345.1 5031998.13 6341576.6 9218651.46 2065385.34 623237.68 1259467.83 2507681.28 1640931.67 2898504.83 735808.76 2884381.54 751781.17 3799019.96 2807494.31 876008.41 817985.32 2262034.38 1655021.9 1595551.48 1089568.22 1980644.49 6261685.99 50916.14 2941454.92 1031126.94 157863.62 1860206.27 1258670.76 6648888.37 548097.89 1363671.95 693387.13 6330693.46 3988981.99 549801.61 1198836.78 364305.81 829571.36 772633.03 2403502.27 759424.9 2254934.35 2416250.51 4852067.43 1993702.81 621449.02 1180943.8 5990133.94 2585145.24 1886668.43 5311219.72 1250917.63 364935.53 8263632.39 998930.92 1352161.61 1605577.1 2898783.05 1167950.42 618906.59 621198.78 1795959.5 5945059.51 3742021.73 2492598.95 926700.44 2505144.61 2527709.48 2581727.02 2199128.73 2356402.03 2530920.26 2366832.06 magnesium;3-[(3R,21S,22S)-11-ethyl-16-(1-hydroxyethyl)-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid 1927.5 2338.78 8482.19 7192.65 5555.53 12112.36 4243.37 2307.86 2298.07 3200.65 4542.79 9941.05 3563.04 3782.69 1608.47 1463.31 8089.11 2553.56 1763.82 2931.56 3120.07 12452.14 1287.49 2019.56 1513.35 3401.33 2894.25 2323.46 4211.43 1927.98 1148.62 7927.92 5406.48 3799.76 3940.86 1611.64 1617.02 5777 2777.88 1324.37 2236.9 4512.22 3187.93 3592.86 1445.26 5852.94 2217 3427.7 3650.37 1911.58 731.12 1900.22 1044.38 3815.36 5223.59 1282.56 3510.85 2770.83 4948.35 9402.12 4251.21 3536.24 10632.12 1984.43 2228.13 1937.04 703.21 603.88 1962.22 644.39 2263.58 885.57 3406.31 7733.48 5709.44 3041.83 2849.31 2818.57 3109.08 1472.02 3209.66 3057.68 3313.42 2867.73 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol 4439.18 121.49 791.52 14774.22 2054.39 5160.01 4499.03 1097.87 217.25 333.48 4302.02 1764.51 8868.29 1332.5 1984.86 15515.4 1335.77 1281.12 2315.14 1166.5 220.59 708.82 715.1 1385.74 1356.6 1584.8 3337.91 1794.89 1387.02 6253.85 750.07 14120.08 609.73 6294.05 11322.17 736.84 1119.31 936.6 1788.05 1394.31 7975.12 9534.01 1224.46 757.68 632.33 58434.71 736.82 913.15 818.84 5667.73 1193.21 1085.44 1226.61 4150.69 662.16 835.49 753.53 1323.71 517.74 860.98 774.88 1161.45 922.58 1647.37 2640.76 1378.68 1109.96 541.76 1776.65 693.08 823.81 1115.52 950.69 11459.38 5803.65 3095.71 3360.41 3394.33 7598.18 3232.96 4062.85 3716.6 2927.64 3132.23 4097.07 4077.1 3067.63 3778.39 3009.72 1716.27 1309.7 2071.34 3409.07 3151.97 2942.85 3589.75 4535.6 2963.53 3324.03 2457.33 5912.49 6064.72 6073.58 6044.11 6072.96 6049.37 6138.59 6069.8 6035.31 5beta-Cholestane-3alpha,7alpha,12alpha,23-tetrol 3545.46 680.83 11452.87 8085.73 29152.19 48338.57 20022.46 3407.91 2190.97 4435.43 2306.17 4916.37 6003.6 4242.56 6435.22 8988.3 5557.58 4078.72 7334.27 6811.75 1270.75 529.55 4914.34 7145.62 1324.83 6731.99 4879.59 1814.82 13630.88 14310.86 1946.97 800.92 5998.41 7103.1 5054.54 6931.65 3648.09 6017.47 4648.17 1761.73 9255.31 4636.51 4617.98 769.66 4500.24 14789.6 11716.9 7968.85 8622.16 7596.85 5517.83 7119.95 8830.69 9335.58 3431.52 7766.76 10723.97 4447.52 6165.57 13721.63 1746.08 9278.5 5597.82 8305.96 4106.05 4039.1 4330.5 4524.67 3841.22 10419.72 4423.28 8580 4738.38 5757.13 11162.33 6692.91 7040.6 7143.37 6963.31 6926.68 7065.62 6910.04 7002.48 7075.77 6-Methoxy-2-octaprenyl-1,4-benzoquinone 2323.97 3290.88 3296.46 2310.43 1860.02 4092.41 794.72 1123.53 2174.96 2927.89 2702.02 706.85 23128.94 957.38 2254.37 689.09 3671.34 1420.96 1674.35 1645.08 2489.97 21059.94 1206.74 1441.3 1761.26 1809.03 1947.64 18103.71 1079.39 3772.42 19347.4 688.16 5093.51 2370.15 2010.42 656.11 3330.55 4122.89 3190.32 3553.8 3556.54 2574.25 911.18 683.78 1608.88 1438.25 1467.01 992.5 1287.06 1567.44 1950.98 1635.29 867.49 1948.66 1683.39 2357.66 1403.91 1926.95 2424.87 3444.39 1297.14 2085.35 2480.96 1436.36 2554.43 1048.3 2993.1 1240.58 1669.51 1829.9 3946.2 2199.64 1318.92 1665.86 1520.8 1539.06 1538.14 1443.22 1534.78 1221.5 1535.84 1563.1 1404.26 1563.17 2-Hydroxycanthaxanthin 1089.4 467.81 754.29 1109.43 1274.21 1564.15 1687.11 342.06 406.49 477.37 364.48 1169.27 1136.72 396.97 981.35 1048.29 411.09 4205.03 1398.07 692 543.15 4016.8 509.3 998.15 1142.21 711.74 1091.35 930.61 1141.47 529.7 432.77 1740.3 4734.5 476.71 1641.34 734.23 798.63 1434.18 1529.27 634.17 1577.87 1604.69 559.63 477.92 1344.67 596.4 671.55 1089.25 1914.95 1291.37 1579.21 988.85 584.78 868.46 1641.75 479.86 1179.71 653.38 446.52 1096.03 536.03 1505.33 479.29 527.2 709.79 1114.68 3020.64 1321.8 1138.75 666.03 330.42 788.93 2023.87 1031.43 968.7 1425.54 1011.13 1253.8 1281.57 1363.99 1366.47 1386.4 1226.79 1221.7 5,8,12-Trihydroxy-9-octadecenoic acid 773.05 502.94 3782.97 18201.18 59613.85 96718.03 40351.59 2019.36 274.39 993.22 990.16 3801.62 13770.55 1283.37 436.57 1886.25 97.46 675.01 2254.91 140.56 4151.32 3807.46 5078.01 3876.32 671.74 102.9 94.23 789.38 5750.37 219.96 811.02 1826.38 1834.69 3497.73 1040.17 974.4 1596.08 2096.23 3720.48 1261.97 23223.35 7565.53 2510.25 888.63 1396.07 17363.73 1057.34 300.7 3308.2 1438.12 6128.65 4481.2 3030.46 2423 7973.07 1117.99 1433.34 655.5 640.6 966.04 3019.56 3200.75 2714.42 2209.34 424.61 4186.83 1078.47 897.03 588.03 732 351.02 1055.57 888.26 2147.45 1421.79 12077.34 12141.9 11995.58 11996.39 11806.91 11995.72 11991.56 12078.92 12115.96 PA(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) 2953.14 5919.47 1850.18 2674.8 3939.85 3395.32 1750.8 3250.16 4594.78 2335.47 1630.97 2793.25 7379.68 7045.36 3772.08 3424.88 4939.05 8450.48 2765.34 3154.93 2749.75 2479.1 500.64 2450.67 3372.84 4017.42 2771.66 2809.11 6136.54 3849.19 3840.01 4099.84 4291.34 965.22 2844.29 4769.21 1442.25 400.39 2604 2789.45 4028.02 5753.12 3023.13 1514.66 4716.41 2080.17 3110.5 2352.39 3469.63 8573.67 1685.89 4774.9 3591.59 7272.84 5163.42 5553.95 3690.78 4341.2 1685.74 3287.28 2556.75 2571.69 4199.66 3111.91 2891.99 6422.89 6562.62 3259.33 4431.54 3431.04 2748.3 2742.32 3506.23 4490.51 4964.76 4647.59 5359.03 5010.22 4695.14 3575.87 4478.97 5070.63 5080.18 5012.76 3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 11966.68 11668.18 5565.92 8050.88 7856.22 12775.15 10227.17 11231.59 11242.47 13094.71 10175.3 10662.15 8882.79 11540.88 12906.49 11125.8 9123.22 11672.71 12183.86 8307.99 13176.74 8256.29 7457.61 9330.13 8697.23 13124.62 9597.25 11906.41 12799.05 5991.58 11506.13 13748.26 8645.63 9809.23 8450.79 12070.75 11746.86 14116.6 12206.98 11027.86 13971.56 16333.44 10841.81 11249.32 10768.74 10592.21 12827.61 11917.29 11999.05 11961.12 10680.54 10971.45 10391.45 11924.49 8456.9 10816.06 5623.62 6323.91 9097.3 8918.82 7837.8 9768.64 10777.71 8098.46 8254.07 11943.62 9392.22 13136.72 11880.81 10220.36 12679.52 13193.24 12470.56 11215.15 11161.83 11467.51 11515.98 11460.73 11462.3 11254.7 11473.58 10818.73 11281.61 11470.15 4-Methyl-5-cholesta-8-en-3-one 4358.55 4593.96 3828.95 4603.69 4618.65 4561.61 2962.59 4476.52 4594.64 5366.01 2965.49 5918.52 13186.27 7390.47 7519.71 5089.66 4267.93 6313.35 5531.27 4392.8 13371.5 7126.92 3469.33 3343.58 4987.35 4847.79 2237.28 3325.76 5819.21 598.13 3843.3 3216.1 3932.19 3478.47 4028.77 3848.23 3194.71 3553.38 2604.77 4265.64 5479.6 8862.45 3180 10542.8 5301.87 10620.03 7627.97 7592.8 3201.09 5908.62 7678.12 6593 4602.04 4777.66 6685.95 9535.95 3628.23 6804.24 626.72 7938.22 3750.71 2169.43 3741 3762.59 3462.73 3221.35 3673.51 2799.91 4968.6 3758.09 17476.61 3342.9 2511.06 5355.62 6933.28 6987.96 6197.8 7251.29 6972.91 6765.94 6999.31 6747.36 6754.15 6796.26 2,22-Dideoxy-3-dehydroecdysone 3062.22 3004.95 1261.71 1240.56 19647.24 5713.84 3278.23 18205.74 11755.7 2818.83 6016.01 6065.38 620.12 1727.01 2605.78 1358.61 1862.58 10960.72 2958.91 653.25 23198.05 6603.28 668.85 2327.31 17264.15 16289.63 2148.5 1586.97 3340.92 9186.4 14597.69 19999.29 10233.92 2931.34 3552 9385.18 8229.69 5679.74 5095.09 965.72 10210.29 26334.67 6428.07 1729.92 17612.8 1214.76 17391.72 16589.4 6892.76 6048.21 16995.09 10604.21 2840.88 5261.38 17888.84 8459.94 2825.72 8088.5 27225.7 7675.62 2567.74 2908.14 10856.33 2661.12 1426.54 11616.83 5181.2 2054.93 1273.9 11967.09 5999.58 2913.17 2286.87 7323.93 2666.21 3901.88 3871.07 3354.04 4560.07 4275.46 4104.8 3638.81 4731.76 4195.2 4229.39 4295.65 4446.13 4744.88 4026.24 3660.96 3798.54 4728.76 4827.11 4311.09 3671.34 3847.42 3679.88 3871.26 4579.86 4399.17 9974.89 9777.54 9845.54 8499.45 9931.8 9754.03 10128.92 10598.84 9931.09 5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol 4842.16 2953.43 4586.98 7380.17 5474.18 387.3 2556.28 2251.08 3450.29 1276.36 7783.09 997.08 14886.42 13892.57 4887.8 6326.06 5487.32 6622.8 8659.2 1407.41 685.35 1414.31 13956.56 10537.93 3954.77 4857.19 11554.95 13042.06 5346.04 12046.14 7496.33 15742.01 4119.38 12124.51 8864.25 6928.28 9368.31 9821.42 12678.51 10543.3 6092.98 12924.09 12520.14 6463.32 9546.16 11328.51 7927.68 10187.21 13014.8 37594.52 6647.14 8435.11 11243.58 15433.63 5736.06 8639.59 3689.78 7130.58 5796.65 1699.26 8908.27 7342.44 4740.46 5717.2 6697.8 4895.39 13334.54 9720.98 8816.82 7784.29 5753.76 10028.72 10153.42 10646.36 10181.43 10891.17 11250.24 10687.29 11268.56 11302.36 11285.95 10303.07 11249.7 11270.53 7,8-Dihydro-7,8-dihydroxykynurenic acid 4241.22 5453.85 1487.15 24263.75 4093.86 87307.61 46847.01 4308.2 7090.96 5145.09 3468.72 2362.63 4230.49 4065.42 5560.83 5076.84 6041.99 4650.25 5130.41 5468.72 3636.03 84482.3 3981.62 3062.09 5069.16 4266.98 1571.92 2221.52 5958.49 3173.22 6451.92 5432.2 4964.55 20679.1 5591.15 15894.29 3890.96 180431.58 4736.48 2714.86 23414.26 6460.55 5874.43 6648.2 4297.15 5924.01 4543.93 6086.48 3955.23 4406.22 5023.01 5591.12 5520.62 3142.11 4829.83 4901.54 21902.73 12878.1 7533.57 145036.36 3353.07 5590.19 5687.05 4953.65 5567.75 17382.02 7313.66 5859.45 3250.69 5789.09 21642.98 5306.69 9204.72 6787.17 3828.19 7507.01 3809.16 8041.8 4178.31 8989.6 7409.2 7863.46 7868.74 8811.95 Benzyl sulfate 1974.67 2779.46 842.63 3586.89 2474.08 9355.02 2618.2 1005.2 2716.71 482.1 1123.82 1454.78 2369.59 971.61 2255.57 1845.4 5137.47 1922.88 1733.3 3667.28 1664.78 9955.21 518.03 3483.84 1298.43 4792.75 1525.35 3093.56 2530.58 381.87 2103.83 1785.58 1293.49 3094.04 1227.82 1040.11 2004.91 14196.64 789.35 825.6 1336.86 2680.63 1739.43 566.47 3490.68 1582.97 2581.06 2322.96 3229.25 1687.43 964.38 3935.09 2194.3 1064.1 2127.13 1641.58 2594.2 1662.04 1684.96 10321.22 1526.35 2847.29 2250.48 2383.51 1113.24 1505.09 2373.77 1095.79 502.56 2660.68 1800.81 1984.52 1105.72 2507.67 1399.16 2774.43 2647.89 2624.27 2812.68 2791.98 2801.12 2775.33 2645.25 2302.93 Barogenin 3813.7 7021.99 9597.68 11556.4 8850.99 9274.94 10695.65 2274.57 7067.83 7796.67 6797.11 6960.65 14908.41 14101.04 10638.29 8366.66 3493.91 7749.08 9647.3 6836.56 6621.11 4491.6 8001.8 7881.16 6102.83 6507.87 8131.41 484.56 8007.98 7120.39 7077.85 13308.17 8048.18 15147.95 10275.24 4237.56 4683.19 5576.17 8980.59 13391.85 5624.42 9595.25 6774.42 10717.4 3482.49 14919.32 5162.14 4323.23 5007.6 14964.58 10394.56 10822.76 11086.8 14478.14 2868.56 6927.41 12440.16 11285.11 4958.21 2858.5 9400.9 9565.84 10176.63 12900.49 8149.74 9649.28 13831.38 5188.33 605.3 3970 6101.99 7052.21 17085.74 13966.85 17009.29 10236.45 10372.51 10466.87 10438.21 10437.77 10250.42 10297.04 9569.15 10247.64 5-Hexyl-1,4-dioxan-2-one 3980.4 3058.12 10320.77 1594.7 1562.66 1616.13 1083.43 7539.64 6128.92 4001.88 1962.61 4856.5 13598.63 10234.22 6504.45 27749.06 8296.71 8093.8 17816.37 19708.87 6646.31 10032.26 10577.82 2974.39 5054.97 4482.59 3498.89 3945.27 6248.43 3848.96 4802.87 7342.15 11820.06 3802.47 3985.49 7004.96 1472.27 2911.52 3321.72 2912.71 2628.5 6719.42 4750.99 2815.7 5171.35 2174.95 6398.73 9215.8 8235.83 11476.53 5017 9999.12 4654.14 6040.73 1331.11 1725.03 33288.55 8322.98 4252.54 1918.01 9770.49 1704.15 1373.9 6035.9 7730.26 5199.82 6897.65 3765.91 4023.8 686.05 3074.14 4628.55 4850.83 1763.29 4988.88 4462.63 5154.36 5155.24 4951.3 4979.98 4929.52 4916.67 5158.24 4930.9 Ceramidetrihexoside 12868.32 12693.16 11687.42 14986.87 26940.95 32723.81 25266.44 22582.8 29036.96 18433.48 10712.29 7368.72 15752.29 952.17 13811.84 700.69 15286.27 14514.88 19564.57 14960.6 22784.71 14364.15 10945.68 14104.59 21603.63 14827.11 12428.18 569.85 6336.85 12037.87 22697.44 18695.07 541.03 24184.48 16520.21 9076.94 22929.68 19703.72 14550.4 12405.24 34281.99 20883.83 12553.15 13102.64 22973.32 23958.72 11152.23 10661.27 3965.5 6726.62 17027.04 20069 13047.93 14077.72 14007.06 22158.79 12662.23 11110.73 19497.32 19013.26 13370.59 15583.9 21056.56 12952.74 9218.63 18129.56 38163.63 9101.47 13977.81 21993.69 20657.81 20456.85 17115.4 16067.34 14977.6 18557.72 18087.72 17871.75 17862.49 17912.3 17863.16 18087.89 17744.51 17899.81 {[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid 1125.93 977.89 1226.5 1310.2 440.6 3012.89 4545.41 3693.28 1711.42 5772.69 986.67 953.95 3467.62 1382.37 1783.67 1885.34 745.23 1067.54 1484.01 2080.83 1447.25 1106.49 1415.98 1493.61 873.12 900.58 862.44 1120.54 3749.97 1338.27 1853.86 2443.15 1146.71 1093.5 948.85 786.32 729.93 1938.45 2050.62 1355.83 1674.08 2405.02 1232.26 1368.59 1996.88 560.63 1518.49 481.3 944.9 1971.42 525.89 533.26 3562.29 1814.11 581.62 1057.66 1430.95 869.68 951.13 4562.15 612.55 2036.19 566.68 1233.31 968.65 1251.26 1607.54 2127.36 1109.15 1263.24 915.52 733.43 1214.94 1391.76 1162.57 1248.32 1395.48 1007.81 1228.38 1237.52 1397.98 1323.69 1112.6 1246.44 Selenocysteine 1652.94 1734.65 2717.3 1924.33 8123.3 2202.76 3400.19 1381.21 1985.2 1735.23 2352.92 3201.66 3100.72 3985.19 6566.72 854.63 7587.45 5703.13 957.62 12253.86 823.37 2430.75 2198.42 1781.96 1946.17 2936.69 1684.18 2030.73 2588.23 1771.11 7348.38 1271.83 13178.35 1728.13 2246.34 814.05 5067.95 5642.46 2746.3 5222.04 1274.55 2280.55 1843.59 1938.14 2310.54 1414.57 5672.51 1727.19 4235.99 1976.71 1952.65 1633.18 2941.5 1274.2 1382.31 3498.91 1093.85 4760.94 1016.37 3156.72 2373.77 2286.82 5032.22 5668.01 20430.94 2593.24 2925.79 2456.74 3462.02 4270.49 14572.4 3847.21 9446.61 2358.81 1162.06 1549.92 1602.44 1535.8 1593.84 1574.34 1492.72 1272.7 1434.57 1622.56 13-Demethyl tacrolimus 9043.45 13744.84 11929.65 10758.84 16972.79 17083.88 7036.74 7680.19 8453.27 8532.58 9168.98 17380.55 12550.71 13064.21 8041.02 10039.42 11489.15 12930 9876.92 13860.57 18803.28 8846.1 10604.58 5559.86 8463.7 13909.81 7033.27 8317.67 8956.21 7303.78 14056.3 27693.33 12093.98 16666.36 10139.17 14689.63 12750.01 17471.39 13095.72 10967.5 20512.48 20785.03 10943.46 9268.8 15385.25 10881.92 13156.45 12794.25 8712.98 27116.3 17293.72 16391.51 11735.98 15953.65 10256.25 16027.87 11503.16 10083.05 8593.2 8633.68 7989.32 7643.81 11925 9810.09 8583.09 13763.83 18300.44 10778.62 9527.71 8211.24 11040.86 9867.67 8966.6 20718.07 14966.14 15131.16 16009.66 16056.82 15698.58 15718.96 16012.03 17364.81 15971.28 15709.84 Chrysanthetriol 4734.02 10063.48 23150.85 31978.2 3689.89 25124.46 17402.69 2514.93 4161.51 14607.37 18104.84 7864.43 15663.81 11308.32 5023.25 12190.04 9286.97 4027.69 16612.35 4909.88 3563.6 9703.35 9806.15 13410.09 4107.26 5366.26 18649.67 13101.94 6336.41 1605.06 5362.63 18883.71 3778.52 42475.23 15157.27 3248.93 4535.63 10820.26 10068.58 9947.96 2397.94 6467.29 26847.87 16445.02 4759.53 8110.32 11760.53 13596.37 10194.72 10553.28 3338.86 8164.14 18020.39 17431.01 1626.83 8164.75 12396.44 15279.07 3937.7 3117.66 8636.74 9998.07 2699.41 17591.93 8144.7 4217.21 4952.95 10920.29 13809.12 2906.68 7392.7 10132.32 10850.05 15284.46 16118.31 10491.92 10611.17 10583 10604.94 10593.24 10605.14 10434.59 10487.68 10607.86 2-Hexaprenyl-6-methoxyphenol 6160.34 5996.1 6654.63 9187.17 7371.63 6203.47 8951.46 8030.62 7577.79 6816.73 6420.67 11180.21 11696.93 9513.55 6906.35 12026.28 5915.61 6982.76 11872.53 9384.7 5969.48 5397.98 5790.25 7889.72 5852.89 5680.27 6813.66 8788.26 9708.47 12156.1 6633.93 15712.74 4095.76 9006.94 7539.39 7773.26 5411 3843.55 6372.16 7381.06 6609.02 9153.23 9936.66 8312.08 6838.32 7286.96 8553.8 14167.48 6766.58 17806.08 5944.24 4614.17 8071.08 11747.14 4223.57 6203.71 6503.73 7533.73 5294.7 4518.84 6524.09 5247.08 5064.18 9192.16 8872.22 7200.44 7447.86 9703.24 9662.99 6206.9 5888.64 8573.8 6456.15 7710.59 11131.96 8092.96 7721.15 8184.13 8113.35 8116.89 8206.09 8093.73 8184.8 8185.92 4a-Formyl-4b-methyl-5a-cholesta-8-en-3b-ol 35899.81 23278.45 21056.07 1974.94 9077.38 87732.08 15146.67 1084.27 60263.16 55191.63 15860.09 50139.88 27237.17 42528.17 27960.49 7263.74 3379.91 4332.36 50961.21 58243.2 73522.55 3978.27 14377.91 12438.27 27566.35 44367.03 17554.02 16940.23 40618.37 57806.38 92714.05 109295.49 24202.42 11518.24 24409.65 53102.61 26057.05 49408.39 10178.91 20784.57 114146.15 53044.54 23618.64 22621.57 55841.17 4977.93 18300.37 53328.04 61945.37 75472.53 129177.94 56493.94 15255.72 39322.39 3854.86 39507.79 7548.65 4905.99 10529.34 13761.98 3194.28 8626.15 7597.98 10384.71 39201.85 13274.59 111017.3 36031.89 15644.25 21022.75 50130.94 30075.36 27862.77 24690.91 15316.5 25682.29 26402.96 26354.06 23345.8 32923.01 25532.42 23427.84 27764.25 20470.89 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 551744.18 813132.21 816969.83 1045822.43 812494.68 639224.7 942660.28 935428.87 909170.29 772136.47 608899.8 687100.56 732060.12 899758.51 885590.79 833544.66 898594.04 865523.55 938959.18 1087278.13 852914.62 2379542.64 675646.07 737202.28 773524.06 739628.78 878193.85 706861.74 583046.53 668986.25 676482.47 680736.61 580127.41 15429.51 2281266.22 1078835.18 39984.66 286401.75 567745.67 858267.88 1378944.31 683125.04 174116.63 1638557.08 720161.87 987755.96 1580311.78 687830.8 1836909.84 341089.29 2508063.94 18588.11 830404.8 1148302.33 1884214.76 44679.7 36771.85 716600.09 61649.31 804016.24 737778.4 822380.11 530460.16 1142592.65 1383018.3 137292.15 152404.37 847410.84 2523716.55 1322059.24 246343.93 148401.64 2584081.35 1498674.13 1961011.33 414944.43 430133.4 430427.83 315940.37 347866.26 421172.76 472704.74 349028.3 324767.56 Norajmaline 1505.28 341.06 1253.15 1259.28 1492.26 970.83 1464.79 1111.09 599.2 544.37 1467.01 2109.46 933.6 1484.67 2565.64 1413.23 378.63 914.33 2142.91 1323.27 1530.69 1107.54 1077.15 579.66 958.04 1507.93 987.11 1335.68 1669.34 736.23 792.84 1602.42 1692.44 400.17 1910.05 932.71 1369.47 935.36 1457.36 583.91 3131.12 1533.47 3323.64 730.59 1876.95 1624.49 608.31 1233.57 1294.59 2844.48 3980.04 1685.47 999.08 1257.88 2306.96 1596.05 1950.63 1732.58 1648.52 1409.18 949.38 2926.44 2805.58 1497.85 1690.48 1007.97 1787.6 659.76 435.48 1804.39 2086.92 319.64 3877.39 1681.09 2342.16 1748.85 2681.34 2546.44 2553.41 2579.82 2377.09 2256.18 2599.29 2548.83 (2R)-O-phospho-3-sulfolactic acid 10361.78 5497.75 9986.1 10672.31 26042.03 19405.48 41178.86 41208.11 41826.01 42636.44 34841.42 36331.31 29691.78 46228.4 23106.2 22771.93 35722.3 24222.21 22376.48 31110.69 27066.96 35751.43 34354.26 9427.26 6039.65 10239.45 9118.49 16433.53 6650.94 50503.85 55028.11 35246.41 35926.34 16843.74 34422.39 22969.32 22565.04 48429.63 16407.21 48268.63 43338.15 45735.18 47313.13 47153.37 44788.46 40641.81 44344.08 44045.59 44975.54 36562.52 43185.95 28594.59 28958.53 34861.97 39054.57 38367.87 36174.69 23554.63 21952.21 26263.79 41774.35 22285.42 26298.72 40500.07 36422.86 22966.93 23236.46 23597.5 21005.19 26136.31 39019.52 23042.38 39003.07 38233.65 40860.62 46430.29 34876.24 42168.81 36235.68 23236.04 43650.33 43491.92 40686.77 39624.52 43501.64 35269.25 39944.78 41031.74 30259.53 23236.8 12865.55 39521.93 19573.91 39528.54 18812.78 37287.69 36784.85 35509.6 35053.95 35920.54 33963.43 34945.45 33891.27 33626.27 37061.29 35162.7 34994.41 33767.87 34774.84 Stigmastentriol 936.41 574.03 846.85 1018.98 812.65 577.14 365.94 1166.95 2331.18 1607.18 1177.42 6348.2 6071.47 6255.64 432.57 794.74 3656.7 298.86 10093.24 925.2 2943.76 389.46 910.36 271.04 928.34 2257.24 683.02 331.99 569.29 1119.33 2354.87 11974.54 469.88 3246.98 1020.89 2954.73 2664.28 4568.64 3370.92 2528.43 8912.05 9777.68 3111.03 1541.67 7846.59 2635.45 4857.29 4032.57 3434.74 8295.06 10456.65 5919.64 3257.8 1654.34 3786.67 10439.93 1987.64 1745 2659.41 1558.25 1146.46 1128.14 2172 1250.57 1631.6 3227.58 8139.47 1913.67 1505.82 1420.91 1855.33 2328.52 2955.64 1787.15 3407.22 4440.6 4542.64 4240.84 4442.96 4082.85 4164.52 4517.23 4442.6 4402.66 Dioxindole 2280.94 466.75 873.89 566.44 4505.07 2056.2 1962.48 2686.19 1693.98 1796.96 969.88 1246.59 533.49 477.77 811.68 859.87 955.03 1133.92 848.61 765.72 1670.34 1322.39 994.25 1071.68 3492.21 3210.74 1324.71 1517.47 987.22 1610.54 971.78 1407.42 828.58 928.69 647.54 2014.67 3830.21 1719.57 1071.34 941.84 2317.68 5055.38 718.6 576.77 1958.51 693.07 661.03 1189.48 1064.24 1476.68 3811.68 1173.98 534.49 457.72 2505.01 933.78 900.85 541.83 1355.15 1212.64 700.83 509.94 1666.28 554.44 834.33 3308.58 2454.66 1193.46 1535.08 3201.82 1505.92 537.86 1994.13 1293.84 1099.03 1632.77 1606.23 1646.3 1506.6 1634.08 1535 1893.44 1637.4 1303.33 Phe-Thr 2040.23 4958.08 2444.08 2351.37 3503.84 3448.77 5792.9 3206.22 1491.09 2144.34 547.17 2312.54 4735.05 3771.88 3477.34 2264.26 2863.67 3121.09 7312.65 2469.25 884.63 2792.43 2110.94 1775.02 2858.18 6210.22 3692.58 3850.7 3259.68 2670.59 700.95 1882.58 3604.83 775.77 5146.47 2489.95 1859.09 2823.89 3116.9 4214.23 3309.25 2061.05 4329.93 5184.66 488.76 4296.87 2347.57 5346.81 1705.14 4455.46 821.59 3206.45 4898.72 7123.59 3834.41 4083.5 2052.12 2119.92 2101.1 2312.01 750.94 3326.31 2235.36 4356.91 2402.42 2166.98 1566.67 4821.02 2806.76 2954.33 2502.09 1856.66 1351.36 3116.76 3551.3 3265.53 3209.49 3333.15 3190.23 3209.51 3240.54 3293.51 3284.05 3129.92 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''2b''aglycone 2840.3 9459.77 6304.2 8295.55 1538.62 12846.29 4212.09 3421.24 5919.48 3057.41 3890.25 533.09 4205.35 433.11 8832.94 4713.13 9636.54 10504.57 602.27 11201.34 4014.26 10043.77 2503.94 3908.4 4474.16 6946.28 491.81 3197.4 4171.44 3896.82 869.89 543.46 4225.75 4775.01 4344.58 1349 5179.76 4375.71 891.01 3174.17 703.58 1259.42 6120.21 3727.79 5014.36 2562.36 5554.02 4226.19 1381.5 6347.01 3053.7 8102.31 4348.23 7510.95 3299.12 9076.46 5313.58 5277.86 4100.03 15916.08 6408.03 5351.15 4968.54 7855.85 4803.32 6089 8899.39 1775.11 3508.92 3894.63 7786.07 1582.54 2367.07 8954.21 4789.65 2775.35 7183.09 3821.67 5843.44 2794.42 2669.33 2160.17 2759.97 2595.39 1698.24 2501.06 3049.43 3926.62 1456.63 3706.09 3272.21 2346.46 2935.54 2797.44 2252.93 2485.9 3047.85 2402.56 2927.27 1785.45 5465.75 5589.57 5762.39 5215.44 5386.19 5010.52 5606.3 5604.91 5608.59 LPE(0:0/20:5) 572.41 10935.31 6840.01 14485.25 28762.59 2273.77 9954.81 2961.75 562.11 1214.98 557.59 1491.16 1314.07 1469.88 5952.47 3241.31 1693.43 4627.03 1764.05 1105.9 1445.5 2351.85 3794.8 3841.43 4096.39 4860.97 1774.64 942.41 547.28 3988.44 936.51 1859.14 1002.35 5915.11 11231.52 1095.91 4040.38 1932.14 3147.66 5270.44 2167.78 3233.39 7625.72 5554.44 3615.36 2108.31 3307.61 2948.09 3218.94 1001.65 2617.67 5673.86 4704.48 3994.98 1836.98 6682.29 10992.42 6902.82 3989.57 2196.87 6072.61 2348.54 9632.31 4583.72 6427.61 4558 2381.12 1111.29 3316.98 5853.47 3841.48 1479.85 4538.64 3376.65 4141.67 4713 3928.79 4512.35 4627.57 4496.67 4702.83 4532.72 4634.28 4761.41 mercaptoacetic acid 3518.63 3397.95 3319.52 2516.54 1132.22 2921.19 672.71 3048.18 3297.78 932.59 3552.86 1839.46 3087.36 3483.68 2385.41 3245.12 1503.92 2347.44 2714.97 1551.24 2090.26 2533.45 2822.15 2247.46 3762.79 3268.33 3278.51 1964.39 2529.1 1991.93 2116.72 2043.52 2341.82 1532.71 2496.61 2304.15 1251.08 1461.56 3553.96 3618.26 3941.42 1744.92 5842.34 4264.76 4314.62 2822.96 3484.16 1764.81 3693.24 2079.4 2209.25 1306.48 1613.79 3140.93 1617.29 3085.78 5267.65 3377.49 2980.37 1710.82 1163.28 1490.68 2161.1 1651.46 2529.25 1601.51 2073.91 1227.08 1758.1 1819.56 1714.62 1073.32 4551.69 4005.43 3023.17 2931.82 3001.63 2896.25 2999 3244.19 2463.28 2989.06 2904.22 3006.44 Armillaramide 7047.72 5070.28 3939.14 5146.46 3679.67 39455.21 3153.39 605.88 5964.63 9080.54 7939.6 7138.63 11780.16 7201.72 6345.83 6504.13 9028.93 3206.13 8860.51 1724.91 7175.26 3784.07 3082.56 4782.58 5169.72 8983.92 4576.28 7841.83 8420.66 6434.05 6057.57 14554.08 6766.59 4073.04 2054.62 3352.83 3294.79 28108.36 2827.4 1831.8 4281.19 74112.36 9529.39 3305.01 8240.54 3435.88 6304.52 3615.51 1453.2 9532.59 3223.75 23514.83 8040.9 7083.28 1617.77 7781.18 10316.83 4361.62 21388.82 3598.91 5963.93 20686.31 4879.04 5721.78 7228.63 18510.65 8067.84 5773.2 7867.32 5246.72 34276.78 11173.82 5312.91 5748.79 7362.11 6755.84 5517.15 1366.37 4961.88 4971.77 4982.04 5374.2 4959.31 5181.27 1-Formyl-2-indanone 208906.47 187582.73 190649.59 197869.78 212098.61 192706.73 154797.54 162650.12 187138.72 198648.32 146449.2 154437.62 143047.91 181205.05 178428.88 155212.72 160246.07 78161.05 164593.98 171652.4 158146.24 82944.52 137523.29 208427.56 207318.85 210412.58 205970.58 204292.95 192239.25 223424.95 161086.55 185500.24 143573.21 183256.42 190407.12 190688.43 186817.02 99392.68 191453.59 184539.54 198772.77 197801.99 191959.74 198407.52 104574 166400.56 165138.19 188609.78 157693.25 181175.65 165369.41 182708.81 189294.52 180583.41 188043.48 78317.82 173269.78 166030.34 57582.76 171396.35 161304.92 181194.62 170591.67 172611.57 172409.83 181329.93 64596.51 176564.9 175932.81 160777.95 78142.47 170698.93 191033.39 161459.35 170504.81 131133.72 104372.95 135485.32 131925.68 135614.45 135288.06 135572.26 130889.7 133736.41 1-Phenyl-1,3-nonadecanedione 3420.94 2166.91 6051.5 986.63 8755.43 8952.09 3615.94 4846.23 5166.98 2413.74 1263.31 4953.06 2099.15 1239.87 4481.4 1991.08 511.71 3798.14 1646.63 9279.35 8773.84 4009.14 1930.64 630.78 3724.12 2828.99 775.67 1682.28 6865.17 3729.49 8524.84 15872.72 1948.22 1956.74 671.14 3497.39 825.92 1362.49 1171.6 515.54 6087.72 12760.23 632.14 1345.94 3318.11 3492.51 9471.39 2290.58 1133.61 5396.4 1950.39 687.77 1125.25 786.36 1152.37 933.18 1005.05 517.61 6508.31 938.29 1827.7 1253.86 2558.89 744.09 1397.01 4167.1 8150.38 1988.16 802.31 1356.16 977.81 1547.95 911.47 680.07 1483.61 2362.21 1774 2063.57 1969.83 2001.39 1892.94 1887.38 1831.67 2120.54 Phalloidin 1213.83 1314.53 12601.07 7481.2 6002.68 7399.66 3325.13 1608.6 2881.31 2513.4 641.4 5923.2 4576.01 8250.8 2493.87 6345.03 7650.27 9197.17 704.54 6215.39 1432.38 2115.06 4388.25 2118.81 1656.62 6247.82 6215.88 2249.18 1397.64 1481.26 9120.64 3276.2 898.37 6751.81 9893.22 5363.55 2461.76 4196.56 6052.64 5977.81 9589.16 8379.28 4320.09 9049.62 10271.15 9137.78 5285.09 2366.68 5565.42 8789.7 3731.38 6837.97 5293.24 6023.59 10850.39 6844.03 15162.11 10791.12 4119.01 4495.82 2241.68 5953.35 6601 14150.89 8160.67 4210.04 8150.14 5108.64 4045.63 6035.38 9181.88 3468.34 6888.55 5511.2 5957.25 6486.67 4870.69 6695.4 6322.79 6418.43 6135.11 8528.64 6640.34 6549.6 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,10,14,16-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-oxo-1-azacyclohexadec-1(16)-en-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 491.84 973.08 2632.51 311.64 916.82 3467.35 794 630.9 8326.97 645.44 1497.98 667.9 4163.8 2788.14 399.32 251.67 2730.52 2958.75 4744.21 1103.27 789.94 7083.65 281.23 345.8 514.23 6595.09 2219.47 426.73 2357.26 1574.11 1231.5 4049.58 711.31 7482.86 13664.3 525.78 290.84 3494.79 464.83 589.93 2512.8 734.42 16145.81 12086.88 1929.99 3414.65 10808.24 17438.98 6767.77 5447.49 1328.55 14451.5 20449.46 16888.78 613.5 10045.31 5796.45 15603.78 2048.22 8869.02 9859.57 7399.34 898.6 20466.35 20854.48 1211.27 900 8606.17 7233.72 898.08 923.91 5968.07 644.28 18160.53 6965.04 12011.9 12147.21 13624.94 11898.54 12455.88 12329.6 12537.53 12397.93 11121.1 13'-Carboxy-alpha-tocopherol 59468.31 64111.39 61623.73 55824.02 151117.37 4186.21 47568.55 260223.46 148977.64 116792.42 123878.62 157551.11 92975.88 106574.62 90807.56 70999.86 64087.34 115816.99 291162.72 119220.73 152015.48 53012.27 96056.2 112361.9 345858.85 132632.83 172878.69 151579.98 190968.81 214591.99 110740.62 314266.94 63037.92 92863.9 98833.36 119232.84 119260.75 118651.02 122079.19 107863.77 295862.18 149199.72 129405.64 116852.18 131675.2 89612.94 146298 230870.99 115943.24 270939.22 59960.85 107485.3 116420.8 141394.84 82939.15 82539.29 44867.26 50055.72 96810.11 32633.34 82080.78 141333.13 49471.17 125301.13 96865.77 123196.93 150783.85 196554.04 108649.42 171692.18 109586.62 144471.35 114483.91 86896.86 114056.39 6671.4 2587.56 4974.35 3172.78 4597.39 2299.72 7150.89 1527.3 2893.22 2462.96 1771.72 859.14 3727.96 4337.58 3452.02 4202.8 3762.67 5892.18 3321.75 5507.39 3428.14 3560.17 3604.78 4296.31 2941.63 98432.59 99592.76 100235.06 100235.08 99140.73 100239.26 99577.27 100295.27 99764.19 Fistulosin 4180.88 5388.91 4500.38 23537.16 12048.77 8779.48 4498.2 7892.33 6632.54 2829.28 4142.76 6740.94 11081.25 8723.42 6409.6 5623.17 2444.7 4201.32 11339.92 15440.9 13963.97 13166.06 8343.51 11037.59 6865.87 3208.16 2887.98 2016.79 17391.18 12800.3 1945.9 18959.17 8670.47 9142.59 12586.74 10474.89 9127.25 5284.63 5658.32 2878.8 10129.79 1910.17 14350.23 2066.6 8760.62 5494.92 18359.12 9031.16 7729.67 4240.53 2000.29 11173.93 14119.41 15791.38 10043.83 6040.42 15085.09 1458.03 3242.83 671.65 3667.48 1007.5 10639.23 9551.79 5707.46 3063.83 3594.12 3705.65 1727.23 58374.99 10956.76 5882.77 19329.53 13421.77 8979.73 4154.23 6088.71 5736.99 6244.68 4484.89 5476.25 6174.75 6290.9 5291.1 (2S,6S)-2,6-diaminoheptanedioate 14131.71 1405.9 15524.55 11262.56 13025.28 4562.68 6410.72 11992.36 9504.08 9960.73 1913.55 4317.51 13996.88 9044.59 1617.28 8169.52 6899.81 4472.13 3568.66 14703.36 2982.14 2982.62 4899.82 12115.24 23830.63 14360.05 14946.84 13415.37 5710.91 8226.62 9292.94 10518.74 6104.8 11022.25 10127.69 13503.52 11252.3 2779.33 9773.85 8144.38 5560.24 8116.84 9781.76 7179.83 10605.79 6095.37 11997.37 8460.87 6189.87 7855 6935.32 5980.13 9533.92 6826.21 6096.82 8863.41 6583.43 7371.78 4467.67 4319.52 9113.53 5156.81 8601.53 8708.13 9245 9715.97 7301.4 8991.3 8334.8 12162.13 5345.78 7364.1 4213.03 6660.08 7683.86 9587.15 9661.9 9524.6 9538.39 9655.9 9657.33 9533.26 9219.41 9518.87 Methanophenazine 9418.35 14059.56 9984.19 23914.81 20357.91 26118.61 126264.56 8723.91 8577.91 9253.63 6736.44 8059.06 77969.77 14197.05 9365.79 19229.31 11591.86 11161.83 12864.78 13514.69 10231.5 8934.84 7682.16 6287.03 8354.53 13048.08 16562.82 10632.7 14564.24 15134.04 15113.77 25787.31 8714.84 54922.06 8604.76 11575.53 9797.91 14090.4 10052.55 10090.71 22941.19 18512.79 10331.11 11758.2 15857.16 375352.58 16764.44 11463.74 12222.1 47709.27 21012.47 15638.54 10499.24 20159.5 11693.3 11735.29 13773.91 9578.75 10349.73 10373.58 10752.17 28047.03 9939.32 9601.72 8058.33 9039.15 18368.91 10447.32 8397.3 10429.28 11873.77 13832.1 9998.49 39071.33 123564.08 33431.69 28900.45 29533 29853.36 29339.21 29496.55 28139.31 29133.42 27991.51 4alpha-Formyl-ergosta-7,24(241)-dien-3beta-ol 65672.05 76127.19 34871.63 74074.58 248247.84 232185.51 32994.86 50262.18 94732.83 69176.93 33370.53 80417.76 104647.59 86668.61 60487.2 189635.83 48886.91 95903.24 157555.79 103955.2 108008 46843.1 49956.24 37858.85 46441.21 81302.4 29856.34 54625.34 104158.44 69377.88 135583.56 265928.89 57251.3 115445.24 33648.92 60898.12 44128.15 44215.58 34355.51 8629 133321.44 134873.86 27153.86 18177.97 124388.86 89210.07 74063.98 40816.29 72435.91 234501.33 44461.24 50547.71 44848.01 86597.47 70116.02 60673.16 57378.21 34157.95 48982.33 38634.91 42708.51 45777.36 56320.61 86533.88 40796.21 86803.48 113336.98 18779.92 55656.49 88914.57 54532.89 58110.77 60788.11 57309.74 112229.81 92210.94 91556.66 91095.08 91808.99 90758.9 81021.39 90251.3 88675.99 88966.42 MG(18:3(6Z,9Z,12Z)/0:0/0:0) 2581.18 9752.37 26738.47 15656.96 20684.1 17599.02 20387.71 1224.09 803.28 11838.97 5456.57 8078.43 9912.88 9471.41 8623.2 52699.36 20418.24 7316.13 10674.02 4203.66 669.74 8474.53 2728.35 13649.4 3014.43 8149.11 435.19 3451.47 632.44 886.11 384.26 8561.63 939.83 7783.43 5591.41 2313.16 4958.48 7578.11 4000.83 7485.47 4195.44 2479.94 5966.38 6785.86 8212.99 6637.71 6808.2 9553.58 3808.75 8083.66 3284.24 6966.18 13809.66 6496.86 4409.18 9767.21 68021.46 15727.88 1693.09 8612.34 38361.84 6400.1 12326.36 9261.62 7108.87 11071.04 2847.22 6648.16 27421.47 3694.41 7506.66 5792.04 5054.05 28487.46 9512.48 11435.42 11363.43 11599.6 11474.34 11366.15 11467.45 11589.02 12178.37 10449.75 7-Deoxyloganetic acid 18558.37 23224.65 20014.43 16125.33 6976.48 15586.09 9253.06 17946.38 13698.51 20636.26 18460.27 9116.12 6199.21 16523.59 15358.85 7872.35 13648.17 22317.82 17182.92 14358.68 16056.94 9701.01 13319.16 24790.99 14866.5 21096.55 20911.14 23690.67 14211.42 22101.36 20039.64 15560.96 12224.21 23925.69 23398.98 15834 19976 24935.42 27236.66 22172.09 11074.42 13649.4 22111.95 19621.68 14130.86 14031.94 14159.71 18891.55 7362.39 15692.08 15471.54 22558.52 25680.09 18854.42 15204.43 20541.62 17175.41 29544.42 21728.76 16706.54 22241.94 21239 14972.91 20195.03 27419.15 16289.78 24702.98 22137.15 18043.22 13404.39 20946.48 21233.02 16839.77 15345.72 14025.19 14904.67 15854.36 15847.91 15856.36 15673.48 15858.83 16112.24 15637.19 15673.14 Docosanedioic acid 21577.42 29961.07 31129.94 23480.01 46066.5 88707.14 5233.95 24296.01 30666.11 24139.92 14764.06 39070.03 43867.72 42372.85 24522 48622.73 50997.57 43607.48 58845.05 68374.59 53342.81 24821.44 47253.19 21057.94 25904.88 45073.19 21716.54 33288.37 33523.22 32591.69 46857.57 65772.99 33380.73 21683.09 18723.03 39623.44 38735.51 44187.51 34324.85 50761.47 69789.13 45644.13 30453.9 41949.71 48987.4 7990.16 40667.56 47708.44 32450.17 97220.34 65439.68 43213.89 41435.94 45692.66 37825.37 43334.73 46057.47 20512.19 36822.93 30064.77 45957.88 20996.03 29817.42 24920.2 31297.05 31729.67 61930.18 28995.88 21120.53 20879.06 35886.15 26157.3 28305.53 34020.34 37486.83 30365.95 35164.9 32731.58 34583.7 35860.6 34590.69 35111.61 34368.5 34108.03 dihydromonacolin L acid 3955.41 836.71 1416.64 83325.69 279549.66 100797.04 249549.57 4710.14 685.67 1357.69 432.53 2768.59 42120.8 641.79 1065.46 22939.11 5155.91 411.3 300.65 594.24 1431.94 1244.51 172.02 193.97 754.74 1525.73 2937.39 324.3 569.59 1800.78 635.15 5672.61 169.45 4835.76 2258.47 842.82 2232.98 2519.88 2056.22 3562.36 109681.71 14293.62 1854.73 2142.09 1415.29 36098.14 1286.8 1103.45 295.19 3840.67 4252.04 1540.43 5012.46 10427.38 32601.28 2459.38 15129.03 1396.27 4524.32 24625.85 3305.75 7497.28 6277.95 3962.02 1232.08 11199.54 1414.71 1624.34 2187.08 1068.08 1573.4 2086.3 1389.72 3233.86 9373.14 33232.25 33231.02 33519.78 33031.23 33054.96 32725.03 33030.38 33029.68 33228.16 Methaneselenol 20418.97 46518.19 58628.28 58553.83 44973.73 48905.76 51247.37 57836.74 42726.76 72805.27 46158.41 49854.2 52051.79 66084.09 70072.96 62410.1 79155.1 78841.66 58379.29 63949.49 60204.95 49318.21 55177.63 13345.07 34585.21 47977.4 54949.65 50483.65 41356.24 32875.76 51599.54 55787.09 52430.22 44278.15 42931.9 30298.99 28156.17 48362.58 19750 21656.99 57994.21 53616 61800.38 62457.14 56835.16 55137.1 52761.03 57324.48 52731.79 57105.49 56902.35 51274.41 59962.07 62285.98 63866.56 49886.09 64610.1 60745.63 61985.1 63902.89 64422.84 67477.58 62228.69 67427.73 65787.47 69504.81 66680.62 64397.99 72883.04 60142.68 53691.42 61707.06 56404.09 57281.03 46967 53539.38 52182.23 53521.29 48591.67 56696.26 53525.2 52304.64 52965.47 52226.76 10S-hydroperoxy-8E-octadecenoic acid 2730.15 831.36 11746.39 10359.45 1928.28 1346.61 6016.22 4059.77 434.88 2224.1 1322.73 2158.15 1904.54 2582.13 2028.02 10413.82 13703.92 1312.55 2168.99 533.52 3553.89 9126.8 11174.15 6007.61 1825.61 3811.21 2618.53 2766.38 1665.28 5129.28 759.31 12938.81 1376 3387.91 4924.48 1263.68 2352.85 4208.32 3844.64 3385.15 3253.04 897.84 6040.51 9451.66 2639.1 8823.18 1169.32 5101.39 353.98 1368.88 1225.32 4681.66 3001.95 7458.25 1001.75 4650.43 14994.01 6920.05 2702.36 7829.66 10042.23 10194.01 1174.05 5588.26 2672.31 2172.92 2319.93 6375.39 4155.27 1470.56 2665.36 1344.4 2507.97 2837.65 5313.47 7808.37 7633.76 8960.48 7762.08 6890.89 7155.16 7838.41 6006.64 8096.16 15-Deoxoeucosterol 237655.99 305440.69 276025.18 311255.66 328683.45 426067.39 207563.84 202607.79 250049.44 238086.47 123142.33 198593.57 213579.15 298277.01 257217.11 253821.56 299870.42 382758.31 290705.78 303190.09 301254.7 182720.97 177127.41 191488.46 207947.01 306602.4 191121.5 220163.84 277240.82 290632.65 335442.22 318938.65 176298.92 289329.53 206118.72 288044.71 228788 326274.1 250602.08 223124.12 351721.96 316237.38 261139.15 277621.55 295852.92 84435.38 255795.1 280330.59 187600.13 359133.62 320249.47 313388.51 282489.34 282447.62 227383.1 318542.63 270956.35 254952.62 267192.32 226878.25 245266.74 213216.86 236383.35 244965.11 219265.27 248999.14 388947.41 256335.12 217835.68 225933.66 271806.24 233404.73 210364.61 283595.46 282213.58 292386.42 290920.69 292641 292640.19 291373.85 290924.31 292123.24 292653.56 290954.43 n,n,n-Trimethylethenaminium 113522.96 105136.28 163310.55 176222.24 169622.21 108279.37 385859.68 165052.3 143982.7 105208.5 161054.77 173860.43 321311.99 169872 130484.84 132926.65 113029.68 144145.69 198186.69 132314.41 112999.27 51682.88 143150.44 139243.1 139959.88 87678.74 113778.14 171177.8 120434.97 50935.97 87817.38 126143.21 77754.33 181902 195097.89 136123.73 134829.06 76015.54 182171.67 150111.82 34244.75 83436.17 159632.13 107988.12 109152.2 299212.6 141710.19 114953.05 215865.05 121598.49 204285.34 134334.55 173171.36 344510.26 125233.36 86819.16 140242.78 169014.55 83793.31 115338.65 115583.92 159594.18 169281.27 211992.18 123932.27 140503.34 82461.89 125759.45 130401 132129.36 124127.67 106873.02 190067.2 204246.59 271125.64 153471.96 156961.22 153501.06 155432.35 153314.23 149246.53 148029.5 150750.79 150830.91 Colubrinic acid 66642.21 62286.69 68076.82 70623.47 70427.37 52837.39 101112.96 145796.54 66375.06 68048.56 113991.49 49929.27 46252.07 69226.66 55790.18 58103.49 64003.86 54884.54 59577.59 49926.12 93483.99 39066.13 47096.96 70858.63 61103.25 65062.78 67030.79 69229.63 59675.88 65169.44 60129.57 70262.83 47625.6 66999.74 73937.06 63893.21 62202.71 59662.46 63870.36 67133.93 60914.6 64369.82 64745.38 62794.41 57196.81 69277.17 54574.37 60970.38 63173.8 68006.82 64899.69 57522.25 61196.25 63812.11 95772.45 59211.4 61402.64 61385.37 56240.69 55766.8 61990.89 59846.66 60572.83 61917.4 64774.51 62069.3 62100.22 63701.78 67076.96 57400.04 56298.54 64349.38 63557.88 60574.6 60358.95 40975.95 98483.44 39873.66 42852.48 40728.71 41360.36 42961.53 39876.54 40032.83 39018.18 43808.87 39300.04 40873.97 39925.88 40218.14 38815.4 40708.7 40105.93 39188.06 39397.24 39152.79 40499.05 40435.57 40172.29 39839.32 62557.16 61879.31 62549.59 62967.24 62578.87 62264.89 61861.74 61122.56 61894.44 LPA(i-24:0/0:0) 4347.87 4955.47 10414.71 3948.84 924.41 9885.56 1574.37 2416.94 6202.51 5222.02 6228.14 9084.18 12313.57 8857.98 5385.51 6529.57 8594.35 5480.73 20460.82 7041.02 6822.58 4914 6628.17 6546.25 4520.42 7031.1 6491.95 6780.96 10085.53 6077.26 10003.17 33141.33 3127.23 16650.71 8493.09 7046.38 4232.57 8394.3 7823.43 11486.27 5370.22 8369.96 13229.51 4783.93 8387.73 2383.26 2758.58 12775.27 13053.64 39306.44 3583.23 6546.47 11208.92 13499.79 2842.13 9076.98 4611.21 5697.7 3719.57 4639.65 7386.64 8268.03 6160.17 13574.51 11745.39 5733.63 16060.68 9310.79 5917.06 3842.74 5697.27 12230.53 13625.79 11567.24 9073.63 27559.03 46025.37 25944.93 28431.24 28254.13 28761.05 27503.78 27557.81 24552.48 26179.91 23094.8 25125.97 26436.9 25455.83 25627.22 21076.73 24468.29 25506.7 23686.78 23058.85 23499.15 24390.31 23814.71 19115.52 21612.08 5930.24 5514.43 5947.01 6369.26 5970.37 5994.47 6132.95 5917.48 6129.27 (1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol 22210.46 21794.74 19146.33 24041.13 17076.25 17551.18 54232.74 25716.39 10260.9 680.03 14482.56 12612.65 1799.93 1273.23 19277.51 26617.48 22210.88 23667.75 16092.08 15557.97 13506.59 16631.24 14749.27 21876.32 1978.63 27322.41 22082.55 21028.26 19580.72 20451.09 11404.19 17713.03 21984.8 25187.18 18546.18 20855.03 27647.41 24462.2 22718.76 28958.44 19422.95 19188.13 20475.84 24959.87 21513.42 19727.08 22909.61 19156.8 5512.09 16153.61 17622.97 22384.07 16220.66 16885.68 17947 18793.71 21573.89 21973.9 22287.41 23004.41 26447.58 23677.89 21901.68 22924.21 16268.14 17572.05 19208.78 20655.1 22993.07 21198.89 16775.06 26001.55 4977.38 20215.72 15928.57 19013.13 19365.47 19406.94 19409.36 19020.21 19413.14 19426.35 17194.23 19420.89 4beta-Hydroxystanozolol 463.27 3150.36 9609.34 11019.74 42250.74 13782.65 5118.84 1575.95 670.64 300.17 2439.47 4804.57 2108.49 4907.26 2658.21 24975.24 9035.92 1493.98 5988.06 1908.25 3571.28 421.85 285.58 4193.56 1255.85 4436.55 2305.88 1479.67 1119.14 4012.23 2676.08 2827.48 624.4 2207.8 3932.69 1059.19 1654.71 3026.76 286.82 2992.05 7886.44 1424.21 4056.3 928.89 2950.77 5899.77 1340.24 455.74 4314.02 8065.32 1898.52 2973.19 3160.09 8502.47 2044.78 3848.55 20472.55 4792.23 1804.65 10121.07 5446.67 2645.83 2326.45 6524.47 2393.84 4973.03 1478.47 1884.25 3676.59 722.82 614.67 820.11 4565.38 8719.31 5832.9 5389.72 5623.3 5649.83 5551.67 5809.34 6248.68 5745.3 5834.65 5774.47 (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid 9659.23 6275.95 7637.18 7296.99 9838.63 8774.92 6791.2 7534.56 6799.25 7814.41 3780.21 3044.46 2627.99 5569.78 5736.66 5267.78 5000.51 4174.1 4834.13 3983.17 5488.96 2492.53 2804.54 8594.23 6277.74 6221.31 6379.95 6461.68 6675.77 6300.88 10125.88 6147.62 2471.13 9474.85 8774.9 8532.5 9094.37 8845.75 8466.5 9367.92 9126.56 9579.93 8421.44 9790.66 9573.69 9181.98 8244.81 8595.83 8850.05 9380.85 7895.43 8188.6 8169.98 8464.4 7826.61 8582.61 8881.24 7875.58 9150.63 8717.13 10227.94 8534.91 8649.56 9018.99 8189.39 8622 7363.32 9361.09 8578.17 3590.35 8774.81 9503.05 8454.58 7749.14 7400.39 7256.98 7258.93 7421.57 7103.06 7212.63 7070.89 7201.52 7246.66 5847.04 (+)-15,16-Dihydroxyoctadecanoic acid 6956.74 22206.18 297269.92 97614.07 12303.47 15287.86 71586.83 599.52 2056 15646.13 3167.91 17339.87 63429.11 16737.69 4989.42 47169.06 68310.68 485.34 5131.27 494.18 2409.18 34599.79 75805.06 41330.3 1431.82 14019.9 724.31 3683.83 19284.76 8009.58 6157.66 15336.54 3582.48 10046.77 6473.26 2058.55 3113.35 13898.65 22555.7 1910.11 17808.86 6422.42 11473.74 25416.9 9198.43 26933.85 4457.77 13572.64 13017.18 13178.22 2371 18162.04 12881.48 11870.19 13830.68 12169.15 212209.45 15409.5 1810.57 8651.62 96276.73 32246.97 9547.14 8331.74 2164.56 13202.9 5890.34 11299.16 10495.05 3442.37 13171.88 4734.75 8754.17 14002.92 21622.05 26796.32 25577.45 25519.56 25567.45 25297.06 25875.58 25581.16 26193.83 25881.5 trans-3-Chloroacrylic acid 10931.53 15927.82 9201.78 8750.81 8083.91 12560.17 9918.58 13671.98 13848.02 14866.68 12756.43 14713.86 9460.43 12684.18 14643.76 13162.31 13335.32 12921.81 13018.27 13063.1 13271.94 10232.98 11688.69 8581.73 11669.89 8778.78 12146.81 12793.47 9387.24 14713.52 8443.43 8926.35 13137.17 12595.2 14454.15 9483.84 9301.67 15031.31 14543.42 14998.44 13375.74 12680.64 12981.55 14451.89 14368.34 8875.2 13260.99 12943.24 14498.93 11896.95 12923.43 11160.96 12239.58 11660.09 12472.27 8523.94 12185.92 12686.19 12741.72 14189.11 11898.65 15343.07 13461.47 10238.9 14953.19 12006.06 8573.42 9168.79 15999.22 14695.82 12165.79 12329.52 14252.37 8887.13 12965.64 12467.76 11855.8 11895.96 12335.74 12215.21 12366.66 11843.18 12332.57 11858.46 Bitocholic acid 980.45 2714.5 27031.68 22143.94 15217.18 4151.48 3094 19593.41 12572.21 4887.68 10225.57 6641.53 6109.49 8501.49 19994.49 4917.11 44074.77 668.49 3221.46 2734.56 6342.04 1068.01 1616.18 15093.06 18342.08 1792.85 4482.47 2796.15 30392.23 16257.79 3354.71 14611.45 11877.16 20176.43 14509.45 23162.56 9687.42 1285.83 3360.19 4703.63 11071.01 7675.86 14925.43 2758.74 13949.13 10879.31 17340.61 23282.73 25508.83 18815.63 4675.01 16369.92 13553.14 20197.66 84959.79 16599.93 6848.43 6313.12 11082.4 1342.26 5854.71 6384.36 19389.07 30236.42 14308.23 11397.12 4717.4 7850.76 9219.77 20757.08 3553.7 11799.51 46153.3 14256.15 14688.47 14150.23 13639.6 14160.88 14183.4 13563.02 14228.56 13599.91 15077.63 13640.58 Allopregnane-3alpha,20alpha-diol 928.25 1602.91 1315.32 4052.54 394.24 317.22 2545.98 764.59 652.91 1168.87 1632.26 2188.94 2817.14 2095.75 678.43 5021.35 591.22 2145.2 300.66 1139.79 887.44 735.86 2623.92 2452.35 663.42 378.06 2551.5 1888.81 929.54 2072.62 928.04 6788.22 512.7 5724.17 309.98 1437.87 2005.96 2958.04 1792.48 454.05 1895.91 1440.32 1419.03 535.68 1717.08 3321.65 1578.48 3843.34 609.47 5230.34 1460.55 1332.05 4798.82 5195.19 779.84 1418.14 1074.82 972.98 908.06 444.13 328.55 2166.42 762.14 1867.47 799.41 1518.25 2418.88 677.85 3567.95 1571.54 1074.61 2352.82 447.19 7705.55 5727.89 2622.68 2393.99 2734.19 2712.61 2605.05 2844.39 2609.55 2744.76 2669.74 4-Methylthiobutanaldoxime 5301.89 5926.92 2201.56 1193.02 5013.53 4682.97 5435.14 6141.31 5606.88 5790.54 3720.66 3579.08 3461 4971.37 5857.12 4837.38 5147.22 3613.67 4608.51 5474.39 4638 3892.57 3382.89 4589.9 5842.22 5641.79 4901.79 4682.65 5007.41 816.43 1754.2 5078.05 4355.56 4592.56 6019.94 5903.11 5504.38 4480.24 4770.47 4841.11 5653.06 4683.87 5201.05 4866.07 4734.43 4422.97 5071.2 5439.01 3903.03 4018.98 4562.36 6161.15 4393.59 4519.93 4766.17 4279.44 4153.84 4738.69 4945.28 4840.39 4825.19 5034.58 5399.29 4643.85 3840.85 4940.15 5221.07 4123.05 4677.05 5284.08 5921.63 4713.3 4880.24 4329.21 4703.61 4855.59 4894.13 4926.27 4926.92 4821.85 4850.4 4923.74 4960.91 4908.6 Vinaginsenoside R12 1845.96 2816.49 736.48 2497.5 565.1 4908.1 3100.3 2779.08 3784.52 3118.01 2661.99 2793.66 2931.76 1750.17 2942.8 6560.18 2566.14 2363.94 6823.22 3775.59 1306.29 3373.89 2600.46 2748.52 682.29 3041.28 2554.07 1695.8 2516.26 580.94 1782.83 3128.08 2435.07 4417.33 6335.27 2414.43 2033.58 2196.31 1531.68 1910.26 462.65 4442.32 2445.26 809.26 3559.54 1093.15 1287.6 4059.24 1018.72 3571.06 2316.2 2233.1 661.98 2935.47 1418.16 2173.59 1553.33 880.95 1005.95 2568.02 495.46 2855.81 2476.25 2392.06 590.44 3138.09 3062.7 3882.08 1462.83 2994.31 2274.06 2472.48 2045.83 2309.89 2650.11 3352.52 10653.0 3746.53 2823.0 3436.67 4005.4 3735.85 3452.32 3555.02 3636.15 6432.77 3585.2 3674.2 3041.33 4095.87 3698.18 3011.58 3844.52 3398.8 4667.0 3423.15 3718.58 3238.01 3347.88 3759.57 2953.04 2835.72 2530.55 2946.96 2865.78 2840.69 2963.75 3010.19 2496.85 5-Hydroxysulfamethoxazole 8933.57 7141.73 5528.6 5481.41 12854.48 11492.08 3098.48 7550.2 4509.19 6528.17 4998.48 5584.38 6784.94 4438.4 7325.84 10071.49 6545.21 6446.08 7367.95 8358.89 7206.32 6052.16 5138.4 7926.62 8394.14 8044.05 7323.24 7049.53 13010.15 7033.24 5702.42 12309.74 5200.21 9010.81 7207.92 8065.07 1726.26 4066.79 6657.86 6676.64 6616.17 12918.61 7405.89 4929.48 4147.16 6944.62 8697.91 9407.5 9968.52 12433.79 9792.02 6194.63 6474.07 8623.94 6704.1 7489.78 6609.18 4103.34 7282.38 6557.31 6433.21 9934.28 7710.22 7937.26 7002.62 7792.63 8261.85 8653.11 6787.37 6761.28 5696.66 7591.06 5389.01 8565.95 7271.23 7502.76 7619.93 7501.1 7500.62 7549.58 7153.31 7536.99 7691.37 7496.42 3,4,5-trihydroxy-6-[2-(1-hydroxy-3-oxopropyl)phenoxy]oxane-2-carboxylic acid 1473.05 313.34 1559.29 559.05 459.36 16477.06 5166.67 1838.92 477.17 12016.46 551.42 444.96 517.9 198.88 658.35 840.56 1245.84 1314.61 1105.78 494.2 314.84 9370.1 2343.51 439.72 1762.48 14915.57 1308.46 892.56 1970.63 411.91 1596.35 3146.88 5429.4 2879.88 715.92 2111.38 2254.73 14913.79 1852.41 375.29 289.23 1056.37 644.05 311.7 2031.43 219.05 1599.41 322.36 268.7 2684.95 2677.9 2180.08 2478.91 247.07 813.23 330.51 275.67 293.95 2008.46 17390.51 281.06 872.37 397.75 1081.92 218.06 2864.38 3123.67 396.5 1783.66 2200.68 1808.29 3090.83 271.93 881.68 515.6 4288.94 3931.43 3943.81 3832.39 3020.37 3576.27 3626.56 3941.48 3638.88 (2-Naphthyl)methanol 14769.62 20248.19 17969.99 19490.14 8447.59 14667.79 20051.45 13363.08 14045.2 22831.99 10786.68 14014.24 12068.44 30746.95 14525.96 13174.71 15894.17 31061.5 22645.16 20252.97 15172.92 12181.24 13809.55 15765.5 14835.23 21030.22 18670.62 18186.48 16545.58 21573.07 18445.36 33682.77 15800.42 31936.09 16281.72 18123.24 19979.42 24678.47 23261.83 22888.72 23204.72 21584.96 19887.53 20674.22 17360.08 16342.27 23242.52 24276.47 14197.2 25233.9 19033.53 23738.38 20535.9 19553.71 15614.42 20725.83 22431.16 22562.44 19976.12 19688.78 32634.83 18626.54 23289.59 18614.31 19302.85 16253.96 21689.55 19528.42 18185.18 17110.17 17898.08 22306.91 15217.78 28368.3 20107.22 17062.61 18349.18 13913.51 18300.54 19638.63 19475.98 17728.42 18391.16 17717.28 muricin E 2392.91 1658.71 1293.28 1424.95 1983.71 2181.21 1947.2 4647.79 10656.82 739.64 1597.93 723.21 3707.1 1116.81 1181.22 1302.77 734.31 4471.43 575.18 2004.19 3693.82 3718.16 2012.57 1763.22 1979.14 1380.42 1272.2 2644.93 8296.27 1096.24 1708.2 710.22 2043.59 3256.16 1729.35 4448.46 2874.22 3396.47 1191.32 685.93 1685.42 2291.63 990.81 490.06 1826.46 2034.34 4871.9 3322.05 1053.49 2870.81 2438.88 11247.61 1999.99 5360.04 2795.26 3561.2 1685.42 803.01 2129.69 2190.3 1605.99 1727.55 2419.94 1853.81 1551.66 3603.04 3648.89 745.68 1603.25 5156.02 2735.06 583.47 733.88 1634.88 1074.66 2111.63 2303.09 2329.33 2066.39 1981.74 2828.96 2188.7 1983.95 2288.9 3-O-Protocatechuoylceanothic acid 651.62 1947.49 1542.7 6696.27 18200.72 4269.03 4399.69 42606.45 45087.34 7773.99 3696.41 3917.93 3732.38 615.35 553.63 3702.05 955.83 607.8 774.1 22512.86 21033.66 5304.95 759.33 491.91 21153.69 11158.4 2466.96 1358.22 21139.64 20399.81 2593.49 1960.61 2196.83 12612.92 12270.72 33772.95 19170.34 17104.82 8226.09 7897.83 15922 12918.21 11364.42 10251.38 23352.07 14344.82 24848.27 15227.45 6141.16 17197.55 7859.13 5418.48 14109.93 9823.54 13594.31 9126.92 2322.64 3172.84 18319.45 6969.45 7740.41 1235.07 16551.36 13709.3 19813.75 13319.32 8776.58 7875.93 20230.88 12344.34 29264.02 12081.1 17776.58 18244.36 7856.09 12985.71 12976.71 12998.7 14310.64 13015.06 13506.3 13443.86 9691.88 13513.42 (1S,16R)-5,7,11,12-tetrahydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-9-one 2916.44 1215.86 33540.01 19033.05 2936.07 2852.51 9202.38 5376.83 5728.51 18852.61 15725.57 16313.29 21417.77 22451.93 1932.46 15346.19 19193.02 5829.79 17740.09 2126.35 5195.91 12164.56 37562.62 28147.01 6368.62 7728.42 27707.54 39269.29 5490.85 8449.67 6573.54 3610.48 3649.61 38259.63 29463.13 7418.5 4273.97 7704.16 36187.92 21859.65 3759.69 1244.97 27717.24 15593.56 8352.49 15035.01 665.3 11868.08 12761.81 9744.61 2560.93 18654.84 32457.02 24676.37 4948.74 7506.82 25951.27 40468.06 4563.75 8234.52 21932 29819.08 7964.74 20719.4 13771.6 4910.92 6465.83 32174.29 22543.66 7484.17 1280.96 28543.08 19629.83 21902.01 31142.12 10645.86 11109.54 9808.91 9333.76 9817.92 10586.41 10493.08 6796.01 11044.28 (R)-10-hydroxystearic acid 464.07 572.05 8519.26 2133.38 1460.51 1813.41 1436.32 1093.64 1458 1061.69 2104.35 833.04 1813.73 1010.24 1238.83 994.96 788.85 573.74 1310.19 2552.19 1057.75 406.85 3273.36 1758.7 498.64 1654.86 1443.23 1788.66 608.83 527.84 873.81 1049.29 514.58 1680.29 1944.43 1187.69 1504.99 1510.7 4960.23 957.83 1445.55 2790.84 2663.41 2402.86 1229.47 3155.44 1476.39 1484.16 728.65 2858.56 2442.5 1355.07 549.96 1808.55 779.77 2370.36 4315.92 2359.83 775.95 1230.35 3472.55 3846.15 2839.14 1329.16 1332.31 1667.71 1157.84 980.28 1660.11 480.17 921.75 1680.74 583.81 1216.77 1597.98 2229 2336.7 1823.21 2370.05 2053.19 2099.31 2118.78 2194.84 2076.34 (2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaen-1-Yl Trihydrogen Diphosphate 922.27 616.14 1559.05 5114.12 9391.62 8534.11 6040.33 3940.58 2709.93 888.55 2917.02 5573.19 1426.41 1485.13 1315.96 7291.16 4483.75 1434.37 11872.61 7244.04 823.04 2630.52 7273.77 4671.93 1842.09 5669.27 4968.27 5689.56 3978.69 799.17 11101.57 3913.86 1358.21 1949.14 5962.73 5162.37 3923.17 1198.56 4022.52 3663.52 2296.34 2711.84 4102.42 5309.21 5217.83 9083.17 2615.2 2642.73 6398.66 16991.61 5306.56 6507.18 6364.96 10480.95 3797.99 7754.52 4216.65 6644.44 3856.99 2736.69 2790.84 1555.93 2159.13 5793.91 1325.39 3035.06 1109.04 7468.73 8457.32 6150.82 3067.26 8199.81 2814.02 4316.95 5403.44 4717.93 7179.2 7891.61 7431.58 7590.91 7588.1 7444.26 7625.25 7236.15 Propylene 2694.47 3831.31 3708.19 4365.54 5290.97 2868.16 4854.84 4439.71 2405.64 7277.87 4311.59 12592.26 4491.27 5530.58 5467.39 4274.17 2728.45 5332.01 12469.55 3223.25 2064.49 3458.68 4163.55 4850.42 4191.24 1090.48 7676.55 4237.77 6477.19 2805.33 3330.73 6634.96 4579.5 3068.06 2788.35 6096.08 2793.29 2658.83 3458.01 3025.14 1223.58 2737.26 4658.34 2901.83 4000.69 3359.15 5813.9 5892.74 4614.01 4785.14 3296.04 4542.1 2761.52 2572.96 2732.74 2994.63 1530.44 3504.55 2917.62 786.54 4374.13 4921.27 2259.97 725.55 1180.05 6008.82 2836.3 5957.2 3164.5 2997.96 2797.82 6661.95 1794.53 2217.58 2922.38 3799.27 3780.29 3775.39 3733.31 3733.51 3853.6 3697.9 3733.25 3779.7 (3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one 21221.16 35903.78 16857.27 33487.7 44655.93 68791.88 36870.2 19972.65 26032.28 26849.21 32759.53 56777.54 85972.74 72046.87 43356.8 54814.61 42284.76 83101.01 61768.45 75856.89 58025.96 50208.38 48104.74 13201.7 15474.98 45387.35 13773.64 20805.98 34320.92 46348.96 75080.41 100809.3 57849.5 48924.67 25115.99 38836.54 34328.38 68758.82 39036.26 36048.67 91938.42 92541.39 42979.83 40226.47 73888.82 58866.49 53397.03 59803.4 58416.46 146145.71 73577.7 90960.7 45556.33 66597.25 33970.77 69208.16 47802.49 27540.57 29679.99 34223.66 29931.26 22946.7 34973.79 32271.95 23063.08 53728.93 96440.8 36591.19 29615.6 25289.19 51993.77 34956.45 35450.43 92466.65 78039.4 59947.94 61782.86 64289.08 62778.47 61584.62 63356.73 62760.58 62792.01 61831.27 Protoanemonin 1944.43 3113.26 4517.15 3104.9 2422.6 3478.41 1370.43 3211.15 5572.81 5095.29 2815.31 3786.26 4575.67 1784.94 5125.42 3464.55 1062.34 5381.52 4614.77 3207.41 4073.62 3755.76 2377.01 4163.86 5349.47 2791.92 3569.07 5192.83 2251.73 480.9 9082.41 4834.36 4387.19 3603.88 2977.4 4482.7 2229.23 2280.25 5839.44 4151.47 959.08 3799.51 5463.85 3098.97 4584.91 1771.18 5194.85 4753.06 3113.34 4755.74 959.8 4306.64 3927.43 2464.13 7775.68 4314.91 3583.53 3314.53 5099.52 3389.15 2872.32 3240.86 2982.72 3641.02 3000.59 3266.77 3141.79 3536.64 3421.77 2012.83 2714.1 3332.94 3307.89 4450.77 1862.4 3757.7 3382.96 3879.3 3722.53 4113.75 3874.86 3758.41 3882.38 3894.22 4a-Formyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol 8831.36 2030.87 9169.02 48141.81 13595.89 36828.72 121069.42 30592.37 30417.39 36298.86 100367.22 109255.14 120839.01 63843.94 22051.26 76809.72 21312.48 19527.47 80497.78 17119.56 21004.99 23870.63 83109.99 30328.43 11775.79 22787.3 29565.41 49036.03 26498.09 36831.6 26048.81 109216.23 13244.69 73637.58 38300.2 12315.89 15388.45 31266.29 49601.28 74488.06 12446.06 33224.87 54734.85 40551.62 17966.27 81491.69 11017.98 37502.15 54375.47 139787.57 5476.84 7582.7 36412.57 55132.43 7056.5 5034.77 21538.57 12002.44 6490.48 2511.36 18644.12 23720.64 6867.24 32378.19 13211.45 12940.42 23767.95 31567.01 42900.17 7103.59 16556.42 47459.42 86895.79 78252.55 86432.25 24605.65 5804.24 17956.8 53900.82 39089.51 15395.79 15200.79 24064.33 32393.52 28491.8 1929.01 9547.22 25752.93 29418.94 3074.94 19324.23 32657.53 24585.1 20179.8 27790.96 20877.46 18669.9 28108.4 29070.66 30484.96 30677.33 29916.21 29763.29 30736.81 28414.25 28314.77 30423.84 Aurochrome 8650.1 12598.73 12988.2 602.14 1187.71 15603.49 567.97 564.03 11984.92 9289.01 5043.52 8052 637.73 13721.74 13216.28 469.04 12264.88 480.41 532.13 12049.99 12379.87 506 879.74 6386.98 7173.58 12004.05 14364.13 12543.11 585.77 13822.95 11893.89 6786.28 12191.47 3416.64 2760.6 7237.51 9374.15 4357.18 2984.54 3271.2 11417.22 7700.06 14656.03 5394.67 9473.95 8445.23 7269.05 10218.04 5252.63 9226.32 12097.31 12253.41 12037.16 7353.24 10857.27 14938.14 4234.14 1471.7 3684.36 9358.68 5688.93 2201.07 4865.6 5778.2 7869.16 6070.25 27346.63 12896.92 10264.01 9230.46 7975.28 12058.5 10125.95 8581.64 3816.37 9891.52 9407.85 9851.82 9707.24 9227.04 9857.13 9699.19 9216.49 9510.73 PE-NMe2(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 1493.92 1119.72 1172.04 479.8 2003.49 636.44 753.5 5023.56 3058.51 5130.09 4028.99 1757.16 544.24 2414.69 1478.42 1370.63 1291.09 1415.7 1199.43 806.5 2050.27 462.52 581.12 3363.15 2792.64 1379.68 4682.69 1274.08 1769.2 4187.45 2447.18 4578.56 731.46 6294.57 4293.38 4699.46 4466.99 10864.16 5117.63 5354.69 5398.28 16658.87 629.03 1601.79 5887.2 13300 685.88 5157.85 1125.99 9180.66 5319.08 3683.39 4218.45 5784.76 8013.05 2910.57 3158.53 939.16 3088.08 346.76 5944.82 5692.06 4152.28 3368.52 3370.69 11603.42 7254.37 3086 1240.45 4724.92 3978.69 5639.38 2786.25 4182.11 8983.2 5628.39 5657.79 5710.97 5695.6 5711.61 5713.5 5462.81 5799.82 5633.48 Oleoyl tyrosine 5697.16 4908.45 1494.39 4196.5 6205.98 4608.55 1222.49 4956.42 3886.74 3193.57 1895.14 2991.26 2461.44 2136.42 3310.44 3686.28 1809.42 9528.18 11015.39 6784.23 2798.05 2337.96 1448.03 2136.85 5868.52 3527.42 2011.43 1706.26 3429.74 2598.77 6763.89 4104.76 2664.6 2231.91 1782.72 2795.48 5209.77 1855.09 592.25 1970.76 969.55 4716.41 510.29 666.78 11066.09 3400.94 4413.15 1321.04 544.96 7692.38 2492.74 3093.02 529.79 2872.81 2569.85 2300.66 494 1075.58 2350.8 1260.11 932.36 814.65 3190.8 2750.42 623.57 5344.32 7192.94 1221.32 2005.7 2891.48 2396.6 1313.55 941.08 3799.34 2857.32 3611.63 3609.34 3612.87 3520.83 4098.33 3644.44 3804.79 3635.92 3719.34 PE-NMe(14:1(9Z)/15:0) 1728.91 2587.72 4815.98 481.27 1278.91 2388.8 2128.19 1454.91 1605.76 4759.59 972.31 1514.43 1559.51 389.95 1763.28 2646.51 3423.92 2780.87 1108.6 2686.77 1425.38 775.24 1019.64 860.71 1012.57 345.19 939.11 1931.63 893.72 14259.84 978.41 3587.55 2245.42 6419.27 10700.07 6856.93 10039.19 12325 10842.45 18802.79 9733.11 4670.58 10917.32 8286.09 4816.71 4293.9 18666.71 10902.38 7296.93 5424.21 5034.68 6126.03 7693.4 13770.87 2261.47 6979.76 6720.95 11995.43 9622.95 12870.36 14891.77 9509.94 12753.38 17923.34 11099.45 5837.29 13578.83 7203.35 12311.08 10365.76 12401.56 10542.11 9680.98 8503.58 12425.83 9450.31 7984.22 8525.42 8532.4 9698.52 9006.08 8983.92 9757.67 10996.37 Pseudoginsenoside RT3 1122.59 1625.38 864.59 472.1 544.21 963.84 1558.02 675.44 2191.72 522.77 1004.8 653.11 578.9 458.21 1469.55 1097.56 647.96 1673.64 1015.52 1243.94 1064.37 1154.34 584.43 1338.5 887.11 1293.56 559.32 1335.09 968.56 959.82 2045.95 520.54 1142.31 1527.35 780.91 3276.78 7871.34 2061.79 1152.99 1235.79 4002.6 4035.01 1521.42 1160.9 6010.78 1803.13 1567.87 1652.1 2419.69 6278.35 1790.15 3212.49 1350 1586.65 886.8 3648.31 651.46 1062.37 2229.67 999.21 1393.61 643.63 334.28 540.4 309.44 5297.27 5702.21 1223.46 1666.66 1248.68 7692.63 1511.29 2190.05 2355.9 5846.3 2350.26 2043.95 2322.5 2311.1 2331.74 2171.38 2324.05 2184.93 2225.42 6-deoxy-6-sulfo-D-fructofuranose 1-phosphate 14325.21 14329.54 13848.81 12442.37 10674.8 9466.23 2564.56 6067.69 6348.22 6134.7 4723.84 4895.11 4622.5 7098.29 7925.01 6863.83 8264.44 6278.57 7070.24 5856.31 5831.87 3581.57 4611.94 9661.76 8590.33 3327.94 14427.78 3979.65 9498.29 4166.06 13736.46 12619.65 3770.58 2995.37 5110.58 3471.86 5057.06 3062.49 12524.82 4664.87 9065.07 3932.7 3935.5 3722.06 3950.75 2386.03 3629.5 3630.1 3502.92 1747.53 2219.53 3033.83 11203.23 4214.68 3075.71 4980.31 3458.85 2079.4 2673.66 3088.47 4163.57 3627.76 4290.04 2372.71 2835.75 6077.85 6572.7 14398 3140.61 5162.95 4412.85 6314.82 5363.59 4160.47 2802.21 3888.21 3268.98 3426.29 3157.61 3432.64 3453.71 3442.77 2929.1 3411.11 [(2R)-1-(19-methylicosanoyloxy)-3-phosphonooxypropan-2-yl] henicosanoate 1489.62 473.8 696.25 4838.34 2218.19 2684.35 743.71 1252.99 1695.71 2435.79 2171.81 326.91 1138.44 2483.35 759.76 2175.82 2323.87 457.84 2439.83 1325.32 1921.06 1840.31 1177.22 768.91 2666.72 547.54 369.82 4551.08 2086.32 363.22 1052.83 752.96 1364.22 14054.5 9350.75 8527.46 4092.77 3556.08 1942.34 2366.38 3094.64 7390.26 5131.63 3824.35 12950.11 4109.27 10084.76 9219.21 8298.6 4990.38 5917.63 13833.36 8895.55 6432.6 12318.17 12700.93 9036.43 2876.16 9212.43 1584.2 6172.24 5333.21 10355.01 9522.23 5972.21 6949.77 7000.09 3461.11 4798.9 9834.21 9760.97 4624.86 5700.36 7695.69 5481.32 8431.99 8155.48 8478.65 8269.68 8198.58 8136.17 7632.29 8088.65 8470.9 13'-Hydroxy-alpha-tocotrienol 2922.05 1897.73 848.33 2328.57 2711.95 3979.17 4297.02 1117.01 935.49 3653.69 3096.52 3281.31 5554.2 5029.84 2640.32 4427.84 2168.99 2004.38 5389.44 1967.84 1200.99 2825.07 3507.84 3936.59 1441.78 2071.97 4510.49 8570.6 574.73 9943.69 1074.34 4910.19 2263.88 8550.45 9093.08 1745.23 816.36 1683.4 7090.91 4204.79 6002.95 4464.94 5179.65 4348.6 806.1 3968.08 1647.07 2193.76 6968.96 5065.22 2964.72 812.62 4087.83 5550.44 537.56 2510.41 1041.88 1169.47 726.42 2338.98 2454.3 4013.01 1941.98 1774.83 1087.02 2204.86 3234.82 6544.47 3338.19 1205.32 971.17 4215.08 4024.56 4913.5 9410.17 3296.65 3145.75 3296.32 3241.76 3108.51 3299.69 3374.1 2511.04 3276.11 2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone 148286.85 145456.25 99238.42 94191.36 98294.02 103620.28 59338.86 127247.52 98667.5 1645.82 105257.48 243757.35 138875.73 132837.74 110890.75 134177.78 73916.57 94934.65 182294.09 183512.7 138947.04 47493.41 97178.02 108206.62 123475.01 115663.3 93801.19 126574.68 150704.15 365551.9 96352.27 375575.1 72598.76 111533.14 130531.25 146675.19 114437.13 155837.84 141452.45 125592.85 62010.19 126437.68 99177.95 82060.13 132426.54 92323.65 137486.92 156322.48 148832.62 204085.55 156813.32 64168.63 108196.04 179404.77 270003.96 59162.42 48571.53 71998.48 99856.08 61186.41 57498.43 61580.88 100337.03 109422.02 91073.26 145099.7 190640.7 129104.19 138836.44 145780.66 114658.58 114187.89 168161.45 94481.95 100142.8 119183.48 119181.78 119464.36 119463.93 119183.81 119467.95 119183.51 119183.13 118713.89 LysoPC(22:2(13Z,16Z)) 14131.14 3328.12 12670.52 2809.44 701.81 1988.67 653.49 1343.42 14563.1 13356.33 10230.68 12729.33 2396.61 2445.36 14696.26 499.72 612.94 877.81 683.38 611.37 14845.21 3443.45 10970.81 12725.24 14614 518.48 12882.45 12364.02 531.33 550.91 458 477.1 489.75 1951.42 952.71 1710.84 835.46 3902.45 654.93 1980.68 4538.32 3778.32 1491.9 1171.92 3805.78 2483.53 2138.38 2323.04 2587.52 7041.71 3231.81 3735.05 1421.77 3146.65 1852.19 3414.76 1866.85 536.86 625.58 790.39 1839.54 1007.93 1328.78 1357.03 1295.34 1504.52 2669.8 1459.07 1240.94 1107.67 3100.15 2108.56 1674.63 3119.85 2292.42 2160.84 2355.84 1770.08 2181.54 2342.1 2399.54 2228.19 2338.07 2154.37 Momoridcin 4434.76 3209.34 6566.31 6518.79 3578.47 3352.98 2609.63 2673.73 1109.75 6903.46 2274.83 1885.28 689.2 1789.76 1934.11 1285.94 6163.73 2324.22 8456.34 1121.64 2485.67 5065.27 14812.3 5778.58 3849.71 3230.24 5362.19 4329 1149.57 800.64 1517.09 3912.13 1612.59 1902.72 7044.79 2504.16 10027.72 7460.87 13225.71 10140.69 1514.87 1810.11 8695.51 3528.57 2406.72 997.49 938.14 2889.21 5258.66 2516.25 2442.97 5567.61 13935.23 6260.3 4508.32 2362.72 8605.28 7799.09 7941.53 4412.18 7182.55 5927.68 4724.5 7514.47 11535.9 10445.13 1633.62 18651.98 7745.05 7233.25 8570.02 12705.47 9229.13 15498.3 6254.42 3452.55 4439.43 3548.31 3901.87 4613.78 3179.03 3410.51 3898.49 3900.47 1,26-Hexacosanediol diferulate 11546.79 3266.67 2789.78 2855.52 4673.39 6727.42 643.39 1254.66 1241.56 2332.53 401.19 3543.62 2469.77 4422.77 3989.87 3221.3 2741.8 5041 2176.71 1246.1 3091.96 3851.31 9621.6 10867.15 2421.3 2937.88 2146.76 2332.73 3132.62 3974.85 1985.35 9843.82 5374.13 2702.74 998.02 2302.23 1775.41 3639.68 2206.86 1927.15 7281.82 7874.51 2855.83 2259.46 4394.43 3347.76 3529.4 3800.47 2324.49 11819.5 4439.67 6016.89 2917.19 6043.14 1760.03 4945.84 2737.58 1881.9 1402.58 1970.76 1444.1 1185.23 2475.33 1445.87 820.6 5869.06 5250.38 2351.59 1533.32 1088.29 3877.59 1983.98 1408.66 5509.66 4206.95 3496.91 3938.8 4691.27 3928.74 3897.01 3931.07 3753.34 3691.6 3956.04 2,6,7,4'-Tetrahydroxyisoflavanone 3163.17 1896.09 457.09 583.34 1027.41 501.35 730.41 2554.9 2202.85 1549.95 656.2 1155.68 500.33 978.05 2568.09 1525.31 435.99 763.73 1031.85 2739.33 2128.06 917.55 540.37 787.29 2690.25 889.84 1024.61 534.84 1965 1966.94 1963 514.68 697.85 740.17 623.28 1924.96 2085.84 413.86 754.25 1031.1 2548.52 2364.52 823.19 908.36 1645.05 726.4 3601.27 578.37 1887.79 900.68 702.91 474.51 758.22 503.57 1612.69 1255.37 516.78 487.9 2004.49 405.7 477.15 888.07 868.55 762.96 1566.85 2199.95 1557.52 951.81 2396.27 2462.49 2445.66 807.21 2166.85 665.34 969.33 1333.61 1501.54 1483.76 1562.54 1488.16 1459.89 1477.28 1509.73 1483.72 [2-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate 6.73 1.25 139.47 134.26 1.25 346.43 1.25 1.25 7.25 1.31 1.26 1.25 10.27 1.25 1.27 1.26 1.25 7.32 1.25 8.97 1.26 165.9 1.25 1.26 6.94 8.4 1.27 1.25 1.25 1.25 1.25 1.25 1.25 294.42 10.06 1.25 1.14 282.18 1.29 1.25 1.25 7.46 6.41 1.26 13.09 1.25 10.01 9.41 7.19 9.2 1.25 22.17 1.25 1.25 1.31 15.69 118.71 88.03 1.25 225.34 8.29 17.1 1.26 1.25 6.94 1.25 1.25 1.25 1.26 1.26 1.25 13.13 1.25 14.08 1.26 100.79 100.11 99.49 110.37 103.77 98.82 103 98.28 103.28 Donhexocin 39873.5 16071.21 11604.64 134131.29 24178.51 37520.6 16437.68 19703.01 17399.57 12740.48 9079.23 9319.81 29818.76 5709.52 15279.24 71784.34 12774.64 225.92 8682.81 15875.54 17873.12 11292.74 9163.16 8512.93 15748.79 22279.39 7173.95 8390.84 5423.09 19815.58 19044.02 183738.5 13323.1 12549.92 35734.07 178.75 14035.71 181.36 5904.17 3412.89 72215.61 94207.7 400.01 285.69 1081.51 582235.91 1534.25 386.46 5015.84 31404.72 6749.31 319.24 6108.72 13659.38 239.11 318.73 524.34 667.69 14288.23 10540.65 6587.64 5516.15 11500 3458.11 8725.11 75882.47 640.18 433.63 7219.86 11370.88 11798.27 11655.77 539.68 62912.09 28326.55 34414.53 35253.09 35774.19 35724.11 36031.97 38381.51 35252.14 35787.22 35242.24 4a-Methylzymosterol-4-carboxylic acid 48179.83 50763.14 46025.38 51387.05 22141.36 3229.57 11097.02 27268.39 46755.01 7591.47 33866.68 23935.78 2605.66 1214.31 44366.46 70488.53 28900.13 24255.78 5447.89 43750.95 5102.62 1516.55 38317.37 30244.92 5585.34 76315.25 43895.54 24990.1 1836.68 1682.65 2597.25 41557.45 27246.73 41858.11 41770.46 30030.39 20692.42 25475.46 28434.54 48610.17 10786.93 36671.4 36048.54 25899.57 16876.4 21959.65 28030.25 56734.55 33357.52 36608.81 32522.13 18396.74 52869.96 71336.89 11900.6 16428.1 27659.38 39071.05 18259.21 16322.66 13353.84 11669.49 18290.21 59068.11 64944.04 41754.28 48621.18 66918.95 67210.37 80863.1 50061.8 17908 72855.81 48515.66 55037.11 30143.87 24901.46 25869.65 27074.82 29258.74 27799.04 28934.24 25914.03 27446.02 P,P-Dioctyldiphenylamine 546.27 818.01 4354.5 5052.66 2116.38 1220.78 8188.39 504.53 2280.81 4219.22 5138.57 7011.49 14755.25 6261.54 1303.67 11398.68 6747.47 8523.84 9623.65 10096.45 1849.86 3044.4 6680.81 7055.61 6466.72 745.61 5045 12566.28 10017.24 3228.67 7579.07 10436.47 2942.4 6605.64 7145.25 8721.09 1004.36 2013.27 7507.64 7085.36 8285.31 3597.91 9622.4 6397.2 12900.22 3091.85 8796.83 8988.74 4900.34 10752.12 3453.03 2880.79 3488.48 8094.88 2110.3 1712.05 4788.8 2978.42 2197.46 3432.07 2706.13 5623.28 2787.54 7076.94 8548.9 2957.63 2162.82 10493.86 8645.14 4761.76 691.79 7032.41 6708.42 6438.14 13092.77 6382.54 6344.65 6126.72 6201.38 6593.82 6338.52 6038.32 6086.78 6344.73 Stigmatellin Y 5565.25 9996.67 12723.79 23209.65 7087.5 21095.29 1810.84 6496.52 3188.8 9062.24 1898.14 2790.44 6434.04 4243.87 12355.36 12494.65 6115.88 6539.07 2784.83 11020.15 5793.51 3068.8 1261.32 3812.53 20035.74 2608.92 5932.28 8286.7 9221.98 24155.28 21009.28 7577.89 2203.12 4315.94 10916.7 3969.31 6997.51 15933.82 17060.3 6240.06 13710.16 7303.53 12739.24 6322.64 4467.01 11136.23 9250.64 6990.72 6876.26 7380.26 11303.78 3142.4 7441.74 5875.65 4392 4602.78 14881.15 19914.64 11287.18 7991.81 9978.35 12602.92 8908.18 6715.39 14436.28 10052.84 13329.07 19671.55 11645.65 4952.63 8221.06 9443.64 16190.59 10147.95 8244.15 9981.93 8844.81 9202.41 9134.49 8758.26 9365.12 8944.3 9429.95 9401.11 [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate 7993 11519.42 8777.61 23619.46 18884.73 21312.31 119210.38 6601.25 6697.25 7616.01 5557.75 6318.51 11307.38 11849.1 6841.66 17280.6 9867.53 9357.79 9777.47 15218.53 9604.4 7360.56 6264.31 4512.86 5969.51 11574.25 13167.31 6635.76 12736.16 11019.98 12928.62 21950.73 7077.8 55521.07 7084.31 9755.7 7544.21 12714.42 10320.67 8545.89 16224.58 13424.01 7588.67 7752.9 12020.73 74274.44 9464.74 8229.19 13970 38295.15 16085.82 11780.36 8164.19 15159.23 7975.46 7774.49 7617.48 6544.4 7449.94 6798.2 7207.97 22799.9 6979.56 7232.83 6840.94 7980.3 12082.32 7899.41 6589.21 6665.69 7820.43 10029.04 7938.81 33392.31 131069.82 21993.17 21850.03 22085.33 22064.83 22084.69 22093.47 22090.59 21887.93 21384.02 N,N-dihydroxy-L-valine 2798.17 4266.29 4935.6 5628.85 3481.19 9641.57 4260 3144.06 3526.42 2853.18 3113.82 2973.93 4246.33 5300.73 3806.19 3343.35 4475.01 8789.12 3741.94 4847.01 5266.53 3759.29 2010.89 3656.99 3952.62 4425.78 2316.85 3104.63 3466.63 5107.71 9607.79 7252.73 2867.57 5632.76 4580.78 3640.63 4221.24 9382.76 5508.7 4469.07 7653.26 7477.22 7766.61 6534.59 6313.6 4880.1 4999.56 5219.57 6183.35 9932.2 4489.22 4891.88 3947.32 3096.84 2618.32 3446.86 3082.31 2793.11 4671.04 4288.99 2803.58 4135 5231.17 3114.32 5677.3 4427.49 10962.52 4803.8 3573.89 2643.93 5224.09 4144.05 5110.49 9054.59 4642.66 3608.57 4175.56 4043.17 4093.03 4259.19 4135.1 4181.87 4072.54 4072.61 Camelliagenin B 3543.12 962.33 3307.58 4664.81 2131.04 12509.9 2383.06 1950.05 6239.44 1354.54 5673.92 12703.11 7658.95 3907.93 2730.25 4667.87 1407.24 2385.64 3055.48 1914.25 8270.67 2899.57 2491.7 1311.35 1809.81 3265.54 3078.68 4829.43 793.82 5823.81 1533.69 11269.79 1885.7 5558.02 2537.49 1011.12 2362.1 3726.66 1944.3 1028.67 40703.4 3241.65 1658.68 1571.81 2871.29 1170.48 1265.92 2550.59 574.68 779.9 9241.17 14884.43 1679.68 11885.64 1499.56 1110.61 886.14 676.56 3281.5 454.95 1563.65 1487.58 6417.81 4460.69 5196.19 1956.48 2950.8 836.34 1710.32 3424.28 316.3 2014.17 783.82 392.01 540.05 3282.29 3927.03 4083.4 3587.95 3703.8 4066.75 3276.87 1538.87 3938.98 N-Stearoyl GABA 70542.29 100739.06 111704.68 83394.06 70780.03 320518.25 18807.52 91254.2 113945.36 87781.93 53449.53 150342.5 165959.17 154574.04 79555.55 180866.61 193710.48 156330.63 224041.9 253990.99 198866.11 85785.76 181895.12 47256.94 56262.07 165651.82 72843.57 120706.12 117866.34 107223.66 165889.45 228789.2 119976.93 76515.23 65506.82 145163.27 131529.63 168709.04 120886.97 190366.97 248154.4 157843.63 110137.19 151241.38 181187.26 33722.86 154157.28 166525.11 116206.72 369129.56 233731.21 160845.42 145114 170664.39 144070.85 154562.32 173372.09 67889.23 136665.39 109771.73 164382.13 77286.95 110944.24 86196.57 102210.57 107620.88 216129.05 100648.56 73048.13 70004.37 126862.27 85179.93 93236.09 120106.19 139868.62 113296.06 123867.7 125338.48 127014.59 126946.36 126967.75 125324.04 127063.01 123755.58 (3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside) 2924.13 4312.96 6492.23 6331.49 2412.19 3889.37 661.57 8376.11 3374.06 8784.59 8573.42 7377.97 4974.16 7638.78 1531.38 8043.16 6156.73 2421.69 9614.06 877.6 3312.91 1668.74 7499.68 17443.94 515.58 767 8449.47 10826.12 3199.48 9816.04 2733.71 12034.82 1471.69 15963.43 13169.76 4930.09 6745.17 7547.24 12346.63 10075.15 4035.48 9194.5 13730.62 9651.83 6696.7 12198.31 6776.4 10007.36 9447.58 14265.67 6136.25 6280.64 14328.27 16322.16 6050.3 6229.17 8595.7 8820.97 5578.64 6002.9 16917.34 9104.43 5306.91 14695.92 12226.22 8664.42 9246.44 13582.2 19238.73 7724.59 8719.3 21227.22 21899.37 14605.45 17979.41 11842.76 10704.64 10888.66 11182.48 11316.01 11089.61 11014.15 11389.21 10903.41 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 4835.37 4081.52 3242.14 6085.03 8512.2 7281.08 9230.01 10727.68 4981.11 2475.15 8881.93 6761.77 10395.44 4826.77 6085.13 5823.35 3759.38 5551.31 4371.27 1970.02 7140.34 971.43 4659.35 3304.91 5163.6 5244.79 5409.91 4600.44 7867.61 4157.89 2910.27 7084.13 3667.12 4715.43 3925.03 6939.01 3558.71 2831.93 3545.96 5697.77 12114.04 4436.08 3195.58 2600.89 5250.35 7071.68 4925.74 4305.26 2518.24 8693.35 5575.87 5158.16 4501.49 5139.93 7741.64 4024.67 4109.32 3617.5 3443.84 3681.62 3587.19 3497.2 3626.6 4916.58 4178.84 4825.15 5799.55 4613.64 2981.09 5476.26 3849.69 5563.79 4166.01 4281.54 5535.27 2281.92 3462.29 2838.77 2215.13 2433.28 2176.16 2331.41 2251.01 1987.29 1934.1 1138.42 2043.34 2477.79 1975.84 2226.2 3256.7 2155.25 1668.34 2190.67 1990.85 2319.96 2496.42 2326.81 1367.72 2002.56 6759.05 7094.36 6899.22 6746.09 6625.77 6792.4 6908.63 6913.36 6873.77 6-[6-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2,3-dimethoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 11036.18 2141.8 693.75 1369.52 2316.14 1618.27 1005.4 2850.83 7985.5 2714.91 683.75 958.52 1699.46 859.32 6399.32 986.35 878.69 5753.38 455.24 9835.41 1172.96 321.04 1356.59 861.88 2025.69 8626.72 506.59 1196.85 4242.2 1793.46 5437.98 5695.12 1398.11 3525.55 943.57 4178.13 6364.38 2650.91 832.64 1730.24 1781.44 11131.13 1745.28 2402.53 3286.67 1018.02 3520.35 1823.67 1359.7 4637.74 6734.92 1859.18 586.83 544.68 5463.87 10098.83 925.44 1171.23 8759.65 2278.92 1124.16 935.94 2811.94 1597.78 357.43 10720.62 7812.05 1568.49 1668.19 4128.65 14962.8 4267.85 4622.85 3107.4 1143.36 3914.01 4170.64 4153.51 4057.53 3956.02 4329.74 2773.28 4567.44 4167.74 Fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol 3059.4 687.42 4798.23 7267.85 6245.32 10568.45 2692.96 837.27 1484.49 1960.47 936.49 1266.29 6026.63 1396.45 690.33 2772.96 12239.45 6721.81 2419.84 660.78 4514.13 3801.5 591.5 773.92 2179.92 2095.22 2139.94 1078.2 2671.29 1712.97 704.33 3161.84 1222.73 2995.62 2964.06 3201.1 1387.51 2532.49 3130.17 1254.62 2807.76 8005.52 2124.63 4195.58 2217.18 3139.92 1778.88 1676.71 1087.64 7343.11 4976.59 2061.26 3583.39 6805 2562.72 3774.18 4454.48 4596.98 3229.89 3222.93 2925.14 4397.79 3334.82 4105.63 2418.95 2483.71 2129.11 1406.36 1882.42 1693.51 1473.36 1040.44 1060.28 7631.54 5312.28 2976.73 3052.17 3082.24 2976.75 3083.01 2984.2 3087.05 2987.18 3242.73 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol 362.04 678.92 1503.98 1236.6 1385.45 9437.97 1355.12 1773.71 541.59 1287.8 1294.45 452.01 1538.9 940.4 701.84 1248.04 567.93 2087.62 1136.97 396.15 1351.38 1048.03 2219.19 1320.46 1355.87 1309.36 777.42 576.49 2252.66 1248.73 854.71 1474.14 1131.23 863.6 1420.87 1515.31 1604.39 406.57 1079.42 406.75 2260.57 790.38 743.89 290.46 990.99 853.33 1287.39 1721.64 2650.34 1990.53 1117.64 1732.26 1528.31 479.17 1111.89 1158.49 1300.25 1123.51 916.92 1970.57 866.7 817.09 1294.82 1676.03 338.59 492.03 327.72 1199.05 1041.23 1252.62 1421.73 497.2 1064.7 974.32 1037.67 8171.44 4607.64 6966.37 10181.88 5867.98 6409.92 5588.77 7425.33 5699.07 5802.38 4088.46 4843.66 7135.65 7968.4 5609.05 5417.49 7644.68 6433.56 8852.54 6357.93 5963.82 5095.02 5593.31 4233.59 3242.18 2078.26 1901.42 1644.83 2599.12 1674.12 2196.19 2284.04 2411.18 2296.26 Centellasaponin A 486.98 260.24 387.87 413.37 587.65 482.26 295.64 1738.99 721.59 289.94 562.38 341.26 384.85 320.05 568.73 382.83 355.27 1012.77 1146.14 825.54 349.22 208.68 704.91 792.09 240.18 748.55 248.7 810.83 194.76 252.54 218.13 979.42 274.59 833.78 212.38 4324.59 2675.06 316.61 468.25 397.96 523.48 3537.38 1807.23 656.47 3573 1071.48 1669.03 2112.94 4539.02 3267.2 3013.31 3021.01 351.47 762.96 1107.89 2613.87 343.42 242.92 4969.93 228.24 637.4 359.78 1027.48 523.54 943.22 844.53 1681.48 1009.93 327.15 3063.4 230.04 1650.33 1336.97 724.56 466.87 2207.36 1889.59 1498.74 2003.9 2004.03 1987.15 1892.65 1880.4 1926.64 4-Methylthiobutylthiohydroximate 13078.49 14246.35 11602.02 16503.52 9272.45 1541.88 18498.3 14575.86 1493.85 8234.45 7488.92 10377.44 10795.77 11814.41 18613.34 15249.16 10784.21 10150.57 9009.21 9239.3 12675.56 1137.14 7896.93 12391.9 12239.72 7710.86 10594.33 7224.43 9455.51 12080.88 11153.9 3182.69 4017.38 10000.17 11077.8 10762.8 9311.85 5651.24 11981.58 18758.08 663.04 2772.85 10560.06 11731.15 9419.85 11980.03 14153.4 12454.98 2283.02 9837.59 4761.94 13005.95 11951.02 14010.37 15303.62 15762.3 15962.68 13649.41 12353.63 9083.16 13062.71 15927.35 19031.85 19264.92 12896.28 16610.94 8440.52 10968.93 13875.61 17226.55 16441.83 8952.6 16829.53 19872.67 24572.79 12440.32 12424.36 12163.57 10708.91 11741.46 12423.37 12428.35 11897.21 12433.78 [(3R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate 4594.07 6809.21 4835.71 1030.69 6124.93 6379.03 790.7 4372.43 6418.59 7233.39 3453.82 2482.88 2097.27 4709.21 4060.76 4277 6036.13 3841.22 6440.69 5495.51 4573.72 4321.04 3476.23 5224.32 6247.1 6893.97 7682.64 5943.38 5643.09 7023.44 4840.32 8538.71 3540.56 5216.9 3974.83 6855.41 6563.37 14894.81 6363.21 10447.05 4457.54 5959.97 5490.82 2826.95 3402.56 5035.64 4903.81 4407.07 9137.43 7120.95 8007.89 9948.85 4295.03 5526.19 5464.8 6536.54 4511.46 8614.95 3619.79 3124.02 9438.16 8590.31 6844.07 8172.28 4720.21 6466.94 9169.08 8619.76 8623.69 4862.39 6681.56 7644.83 8287.65 6068.77 4219.03 5493.29 5565.92 5516.13 5509.67 5534.74 5464.05 5536.53 5534.29 5289.61 4-Amino-4-deoxychorismic acid 15650.92 27888.9 118757.3 200047.21 17381.25 860849.8 53354.16 17555.11 24728.99 18933.22 20935.31 8641.99 12973.82 10011.45 21967.71 16461.26 12263.3 20186.22 24998.35 32626.43 19089.48 553149.82 13207.98 40624.66 17084.63 14949.22 12527.42 13619.69 27447.73 8838.25 22610.33 16476.18 18371.49 274196.5 17326.85 17488.85 14578.03 788259.93 11040.9 12208 26586.36 20251.89 15576.75 15859.92 28943.27 12922.4 25982.52 49170.58 15088.44 18312.25 9312.72 41615.23 15339.77 17870.97 10161.98 25046.15 272993.91 284764.35 14433.33 479711.74 12204.94 40872.87 21593.76 23614.8 12075.04 13689.06 23010.3 14395.25 10729.15 15840.57 24496.29 20368.52 10898.9 16486.1 16011.54 75549.89 74918.9 73056.96 70467.2 70400.86 71611.68 73892.32 67303.56 67010.12 3-Phenyl-1-[(3R)-3-[(2R)-piperidin-2-yl]piperidin-1-yl]prop-2-en-1-one 12044.77 17079.65 5142.93 15647.79 7037.54 5456.53 2411.83 17221.86 12309.6 9702.08 20891.99 9498.11 3960.54 10818.66 43086.92 21767.12 19670.97 21973.73 15853.75 20799.11 10780.54 5094.47 6144.31 10691.93 7700.87 19461.11 18054.77 11103.5 14463.82 22631.02 17780.52 15854.62 27729.5 8486.96 17870.27 7510.48 20517.04 21475.56 11744.88 19844.8 22983.84 5395.03 10865.73 15460.65 3482.03 35983.31 20682.06 16355.71 5495.85 13385.21 10912.37 11781.95 12922.93 12371.6 11975.16 15619.26 16288.8 17864.65 23175.04 22237.75 15766.7 11236.32 13084.36 17787.53 21703.7 4718.9 13226.1 4203.49 16658.73 15859.87 25181.07 16136.97 16978.91 19597.49 20463.65 16094.58 16240.1 16243.77 16094.86 16245.04 16244.95 16095.36 16394.54 16099.84 15-cis-4,4'-Diapophytoene 1995.86 3360.5 2425.17 2598.81 2269.8 456.46 10528.96 4031.01 4010.59 1619.88 2233.18 3444.95 3367.36 4470.74 5991.22 1904 444.95 4029.76 1866.2 2453.45 9782.62 5604.08 883.4 4477.11 9988.38 5119.54 1920.11 6131.04 735.99 2932.24 4391.36 2184.89 609.34 14259.62 5810.81 4774.75 4995.18 6314.72 6692.58 4414.71 4531.3 7774.67 4216.25 1461.45 8110.4 3311.71 8774.5 4524.48 3212.41 4405.42 5945.6 5344.13 5170.81 5733.17 3335.92 2088.24 6182.93 1256.41 4370.5 3826.72 2813.34 6704.08 7171.1 5814.92 1793.41 5271.1 7438.96 3849.93 3873.92 8522.24 5034.73 6464.31 1754.1 2122.95 4688.07 3926.07 3314.42 7258.91 3061.72 4555.11 2176.59 4353.98 1336.55 2734.87 5343.32 3223.09 2777.04 2820.53 4943.46 6623.61 3066.63 5410.22 6192.97 4008.26 5489.54 4715.32 5499.5 5871.18 4840.95 3660.07 6263.41 6252.2 6823.88 5045.43 6349.79 6232.99 6449.59 6632.26 6240 Ganoderic acid eta 1578.38 4355.32 1514.32 1149.89 7042.3 5993.83 1456.72 6609.86 818.21 4012.58 945.49 386.61 1126.72 1224.31 839.69 1531.1 710.12 2317.93 2140.02 3026.28 2808.14 2460.57 1106.33 638.96 1169.74 1650.89 1198.86 1324.21 6155.91 538.83 4214.95 2711.1 1013.1 1304.53 1749.01 5629.73 753.82 2087.3 745.96 2081.59 3317.26 2088.37 1036.16 936.85 6551.45 427.27 2114.51 878.24 1372.73 2132.27 2794.75 1305.74 1676.67 1749.6 6838.11 1014.29 967.28 923.89 1965.82 816.97 2403.74 1174.29 1307.05 1951.42 1204.74 3686.98 6128.49 849.06 1649.18 1036.06 605.18 1062.6 1587.27 571.34 1090.56 3300.46 3300.81 2739.88 3113.92 2505.27 3018.15 3824.41 2841.57 3434.19 (2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol 1564.59 2531.03 851.21 3726.14 7859.4 6031.08 2800.59 632.58 1626.54 1676.64 1922.05 844.88 1279.14 784.08 2249.94 3837.35 3506.51 3610.1 2168.08 2166.09 2066.35 1372.51 2179.83 1037.41 1685.11 3695.34 544.59 1871.29 2428.14 3320.86 5202.33 5980.48 3492.65 3017.92 5327.43 2165.09 1126.38 3976.83 3393.21 3068.04 3561.92 5928.7 789.62 2225.42 4583.11 7059.71 1556.9 4876.04 2555.39 5431.73 3102.01 1542.91 3699.44 6532.55 2036.04 5392.74 4328.61 4457.91 2947.25 1747.46 6106.03 2919.62 4726.07 5700.1 2856.77 3309.29 4206.79 2426.62 2638.92 2764.73 4204.94 654.3 2925.05 8959.67 5599.94 3878.01 3581.42 1577.24 3720.74 4251.11 3839.78 3850.98 3793.48 3519.67 xi-8-Hydroxyhexadecanedioic acid 5547.37 2913.98 9817.89 4140.4 1778.32 1014.98 7809.26 3355.8 8587.75 7733.16 9716.86 5707.29 2163.34 8617.7 5644.19 4199.73 4127.97 2906.32 6810.81 12340.3 6736.85 3023.54 8525.86 3769.12 2825.47 7242.21 9216.26 7289.15 5189.03 3499.37 5663.32 3756.94 4504.2 10889.88 7587.34 5468.65 7304.46 4917.01 6936.95 13715.81 3480.66 4587.09 4481.82 7843.07 2946.21 4241.9 4713.03 4970.84 2263.09 4224.47 3260.15 4128.71 3974.28 4682.6 6365.5 4474.45 4169.2 2242.66 2560.37 6306.93 8849.86 4238.69 3439.01 5408.49 2780.44 5912.44 3407.08 5013.06 6625.41 4763.06 5250.05 5012.41 3092.47 3815.27 5351.52 4089.55 4258.71 4127.63 4158.49 4139.44 4381.56 4264.88 3968.15 4245.39 Ganoderiol I 430808.63 585340.52 505086.45 553808.13 592029.39 778770.55 428805.08 389978.25 450049.52 425819.42 256696.13 378994.95 436315 584130.14 475076.4 483188.18 536508.67 684891.11 553042.41 540202.81 541909.52 329701.08 332689.9 351207.17 395544.6 563421.71 352164.75 412122.03 504695.76 563029.79 612138.81 652094.29 356993.22 535544.41 398644.88 531086.8 447926.83 613155.59 465886.24 434207.39 683893.86 591918.71 483490.82 496002.15 550276.56 189718.89 477557.75 543737.7 386213.47 704702.29 562330.72 623797.44 522500.9 544127.71 403708.43 563924.28 499837.04 439730.5 455740.29 413366.8 435266.18 385292.85 441931.9 451417.71 396390.99 454006.4 672814.29 469361.97 413024.07 410608.32 505447.41 433388.22 406733.58 557245.77 530996.86 548266.11 548260.97 551306.55 556324.38 549354.08 548259.35 551314.7 548318.25 551309.77 3-Decanoyl-sn-glycerol 1763.81 3284.84 1441.74 2876.94 1381.73 2096.54 2058.2 1618.83 3309.96 1499.59 1129.56 6680.29 3451.72 2538.64 6918.37 2759.54 3924.3 4699.89 1352.12 827.49 2245.56 2468.04 3564.66 2926.51 2856.2 597.53 1054.16 1427.25 1196.05 1811.95 877.89 2339.7 2095.82 785.71 2685.58 989.79 3900.06 2858.09 3930.39 2482.22 672.03 733.04 5649.02 6549.76 1106.46 1866.44 950.84 3376.95 2783.28 2163.37 2028.88 3472.79 6364.8 4038.19 2100.42 5608.28 12358.03 7259.01 2762.7 2121.63 3743.31 3433.05 4683.33 2646.87 2075.6 2526.53 5384 2088.73 3140.24 2776.06 3024.87 2487.32 4979.58 4814.69 2162.63 2381.94 2372.05 2121.85 2217.93 2271.02 2544.52 2379.07 1661.33 2361.35 N-acetylornithine 2307.09 2631.63 2161.98 1694.99 2513.88 2005.77 785.79 921.18 3745.93 3513.18 515.62 2818.99 2807.24 3145.25 2413.84 2596.59 3345.63 3608.18 3458.28 2782.6 946.19 1891.4 2566.9 2062.97 2339.48 2112.85 2419.62 2088.94 2116.84 1612.49 1651.86 2281.56 2966.68 1722.14 878.84 985.73 2132.77 2047.68 1847.61 1565.35 1651.75 1628.72 1330.84 900.54 1421.41 1142.58 2601.33 2008.19 1148.35 1884.21 1660.83 2418.23 2168.93 1230.74 584.59 2329.99 1214.73 2285.75 2301.18 1204.27 1782 2639.63 2162.36 1899 3171.92 2831.09 1964.49 3644.25 1529.83 2962.38 2996.33 1687.05 2299.33 2178.8 3075.39 6193.92 8404.12 12161.19 5062.37 6773.79 22515.06 14627.54 5492.47 7920.01 12592.54 24843.06 7722.08 11360.73 4227.83 20061.26 9988.45 18512.09 13534.28 6805.81 13856.87 10723.23 11969.53 30286.52 25528.79 8936.63 2807.33 2819.79 2899.48 2812.98 2808.09 2891.01 2891.2 2890.28 2839.31 Isoglabrolide 2824.61 22075.82 4427.94 25252.72 9859.49 16289.8 15316.78 12792.32 10621.43 7098.5 2339.42 6861.23 6630.18 10083.53 41779.37 17165.83 10002.89 25453.84 27226.81 44890.97 14114.15 17775.83 1208.59 33669.76 16515.57 16596.74 24107.49 1373.5 10122.45 7810.3 30512.95 17137.59 3899.69 9272.18 26247.29 14201 7677.28 15866.6 2005.21 11270.17 9695.97 11832.83 14418.34 11913.15 27578.16 30820.44 34273.26 19861.42 4943.79 17521.61 5609.78 8641.66 10992.89 9452.36 20144.73 36220.78 18562.97 11834.23 13926.15 21818.72 18349.36 7886.67 24205.25 18104.41 18707.11 11295.15 20943.62 13574.99 28280.21 23082.16 21075.97 20345.91 19896.93 21152.76 22001 19118.99 18124.49 18961.12 18104.67 17692.63 18055.92 18485.4 20034.21 21832.63 (3S,6S)-6-isopropenyl-3-methyloxepan-2-one 2454.65 2905.57 735.23 938.84 2818.03 5667.89 2519.23 2930.85 2932.21 2320.5 1180.77 751.54 1757.12 1094.92 1163.1 724.67 743.23 2653.41 7202.99 2375.2 2399.08 1773.38 1573.84 749.98 1884.13 2549.91 1160.96 1139.44 6783.65 1390 4906.67 3750.98 1510.5 2224.6 1116.35 3305.43 1550.84 2986.14 1509.35 1675.41 1455.29 5132.77 1082.15 1583.86 4429.89 613.77 3080.13 1078.96 1993.14 3676.36 2758 4689.15 1576.44 2566.85 1695.96 3112.43 1157.78 893.97 1702.57 1139.51 1241.7 1748.4 2219.43 1050.11 1054.41 2801.91 5907.13 1764.56 1424.3 1473.24 2012.09 2464.1 1562.11 2343.58 1309.72 1700.43 1928.95 1988.75 1935.04 1927.26 1976.27 1953.96 1935.38 1948.26 N-Nitrosomethylamine 67895.66 65503.95 70334.69 68367.22 142295.05 28174.69 126269.92 77924.45 78275.91 76244.94 69765.71 96000.4 106146.83 69679.67 67331.2 56811.43 63384 66010.08 24831.46 63924.79 61700.99 92775.93 54487.24 110671.04 67791.4 67977.64 71440.96 68314.13 114654.83 58472.48 64982 75127.57 48089.75 56675.3 115793.58 87244.35 61329.66 123303.71 66175.31 57552.58 67285.02 62302.69 62976.57 59365.98 60478.43 61566.95 59524.83 58309.71 88364.69 33663.53 56828.58 51173.22 55446.92 62252.3 63759.76 33241.25 58694.13 56172.17 65677.42 62084.99 59425.57 64924.61 67049.56 60831.19 75292.81 59134.73 67364.95 57819.88 64080.61 59226.14 68437.13 29545.12 60152.94 61545.41 54607.3 50724.56 40019.39 51223.02 48585.65 52316.99 47918.18 48633.47 50997.76 52678.63 alpha,alpha'-Trehalose 6-mycolate 988.45 6083.03 54574.48 7146.61 3897.56 967.71 14275.58 22528.44 1090.04 456.09 8245 1343.41 10149.82 7457.04 631.68 695.75 8458.51 2899.17 14844.87 752.39 1024.43 1447.06 2517.51 778.13 721.42 3962 743.13 538.02 5539.06 1258.39 3449.72 20191.37 587.97 16588.53 8285.71 16027.95 19530.93 15039.16 28339.97 10713.93 10820.48 23314.92 11997.61 11575.84 14592.76 19520.97 15837.38 12082.65 28765.16 19684.59 27023.72 11964.98 17229.94 12101.5 16392.48 8860.54 86567.45 11454.92 13726.24 24003.54 17819.8 28590.34 10596.12 12443.15 6598.92 20477.03 17341.54 27328.31 13447.61 16143.89 19734.05 44674.03 22738.56 15607.66 24868.59 16695.95 16168.32 16854.52 16887.37 16961.47 16859.54 16687.22 16941.44 17411.95 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 31832.78 56638.04 26270.1 3167.94 38234.08 67496.68 29108.06 44790.87 51485.08 41953.78 35017.86 15863.37 1235.91 1592.99 56937.95 38079.19 33855.42 43119.72 36447.63 64290.16 35624.2 27580.17 20684.84 31032.66 37557.98 62804.91 27552.33 23679.21 52707.97 23119.76 15572.82 39315.36 40263.5 26908.43 28939.78 41098.67 49169.25 43409.93 22609.64 37507.4 45435.7 49379.83 45665.23 22175.97 56479.07 11023.3 42975.71 38244.31 5194.8 47307.7 11996.75 50370.86 27243.56 19431.35 33628.7 50695.08 26963.98 23753.11 47879.48 35894.48 25672.54 23768.19 49512.76 41579.95 33783.23 59958.46 57480.61 25974.43 26003.26 57925.74 44071.26 28854.87 26566.63 42739.05 40439.86 36105.49 30794.41 35813.85 35852.38 34984.62 34915.23 36725.32 36034.01 35417.07 ginsenoside Mc 6035.1 4830.62 4207.94 7287.55 2616.97 1817.24 17892.55 7697.54 6469.39 5467.88 5086.82 4121.77 1138.91 4508.25 1674.19 1534.74 1425.23 1918.17 5651.58 1460.11 5058.89 972.27 3855.52 4908.07 2607.56 7519.3 6148.78 2847.41 3981.5 5948.77 3524.01 7553.26 2302.03 6875.54 6903.93 598.5 2613.68 7406.34 5011.26 6405.84 11625.95 9193.88 6664.26 1742.48 5271.33 9964.06 6546.79 4794.57 70649.85 14441.96 7160.31 8184.39 9395.25 5540.79 11301.51 9550.43 8329.2 8087.51 5045.25 10025.35 1716.53 7139.89 8130.47 6283.68 1792.04 7876.28 6745.8 5877.68 8971.06 7727 6124.93 8038.03 6002.13 7324.41 16737.53 10847.02 10862.03 11708.83 10509.02 10485.72 10620.47 10497.49 10783.12 10396.05 N,N-dihydroxy-L-phenylalanine 6003.55 8704.37 7676.29 8229.27 9382.79 9149.5 10544.01 8234.35 5132.4 9697.99 7666.89 9082.39 10174.23 9654.52 9352.88 8037.91 7694.66 6770.35 9945.3 5891.13 3865.34 9203.75 7677.77 10257.16 8303.15 5413.92 9709.36 8849.89 9631.29 2803.1 4865.45 8459.01 8553.64 8702.64 9264.77 9077.71 6949.55 7806.37 9154.39 9576.27 4505.23 8765.69 10332.17 8205.49 6715.29 7828.91 7726.9 11545.01 8269.53 9076.68 6945.7 9067.49 9178.21 9798.44 7274.41 8559.13 6147.7 6500.24 6758.05 6766.3 9753.45 10049.13 6338.77 8490.5 7213.93 9391.08 5149.12 9111.1 8486.05 7220.22 6999.45 9272.83 7259.14 9597.95 8771.88 8402.59 8402.53 8286.89 8284.58 8410.06 8402.14 8402.7 8277.46 8403.56 N-methyl-2-oxoglutaramic acid 1292.39 1866.18 347.52 594.53 15221.99 328.06 483.96 2418.82 2620.35 1573.38 787.29 8113.01 339.84 364.32 2655.93 1911.27 1128.08 1492.47 194.91 2696.51 8344.8 225.27 693.36 1146.85 6003.05 2545.64 3991.12 889.68 609.94 835.54 1516.09 174 1254.07 5375.1 657.38 1350.32 379.76 774.33 832.42 722.4 239.66 2162.31 1062.55 2505.89 1371.47 8378.41 2035.51 1104.37 699.78 197.01 2360.78 5581.07 3296.71 1519.98 1490.54 482.7 479.47 836.61 9316.14 2711.09 244.02 7523.04 216.72 919.52 705.62 1496.46 2863.89 1469.45 207.24 230.77 1036.04 1404.03 597.43 1251.26 330.12 3933.37 3906.39 3976.86 3950.71 3953.48 3865.4 3904.16 3906.95 3952.19 Nitromethane 1874.13 1612.57 2650.68 2955.91 2556.12 1867.45 4437.81 3018.88 2637.45 2268.35 3024.74 3182.02 3241.01 2475.26 2475.05 2461.55 2103.26 2432.97 2718.67 2307.47 1595.04 1543.68 2177.45 2569.72 2924.43 1739.71 2333.83 2385.19 1989.61 901.92 1538.35 3007.16 1214.13 2565.5 2634.51 2064.21 2167.28 990.18 2420.63 1136.38 614.93 989.19 3766.37 1201.42 1371.93 3779.03 1095.87 873.94 3773.94 1566.54 3101.13 2124.97 2683.27 4327.45 1320.65 841.65 2448.28 2392.98 1041.32 1637.42 1350.96 1344.55 2552.21 3691.96 1726.43 2510.5 1337.06 1527.39 2462.89 1779.76 541.77 872.65 2953.49 3012.66 3456.36 2372.42 2195.5 2265.57 2239.24 2271.93 2197.5 2183.48 2185.3 2263.62 1-alpha-Linolenoyl-glycerol 31890.36 13776.94 38021.95 16273.71 29465.79 9173.45 17265.3 54943.13 38756.37 36718.35 44407.75 52892.34 18111.9 60578.7 47749 2152.23 34793.77 42963.9 13688.81 40098.2 46408.07 50936.95 47445.08 54020.68 39937.3 63498.82 39411.91 36465.06 41849.64 21098.64 25091.96 33406.35 44117.27 55260.88 43365.03 43463.4 43158.98 54920.91 45713.71 33710.62 32705.84 43685.57 35140.79 52572.06 45774 32299.29 33896.87 45734.86 17137.51 26680.05 55986.56 47259.41 43946.04 51313.12 25410.38 34100.58 12693.53 48227.96 54042.72 51868.7 45330.33 53986.2 59819.91 50527.87 58786.57 28440.66 32915.02 48975.15 36886.85 45483.67 44909.11 39292.62 40696.2 7020.8 48628.43 21934.14 21415.65 21311.78 23175.7 21395.15 21333.99 21949.06 23616.24 22429.31 Dodecanamide 10129.89 10094.54 8662.92 8573.68 4713.01 6501.1 8513.42 11231.83 9503.84 9745.9 11055.14 8767.91 9726.53 10921.98 10562.76 8887.03 10722.48 12216.22 11772.25 16935.73 13322.42 9972.98 10051.86 11639.98 8682.96 11818.05 11797.84 9811.89 9356.67 13511.05 8636.23 10034.44 11514.07 10888.62 9016.38 10065.73 12929.09 9696.15 11430.72 12040.85 8785.53 8188.75 10123.83 9900.18 9756.55 7340.74 9983.22 11052.52 9286.63 8710.07 8170.51 9283.16 8905.24 9290.39 10683.86 8915.74 9165.48 9740.83 8996.08 11414.75 11176.5 11165.52 10082.95 11330.5 8163.85 9809.09 9937.31 10866.66 11153.77 7345.7 7312.29 9440.95 8979.01 10043.51 7549.47 7438.01 8031.51 7970.23 8084.7 7938.94 8080.35 8111.86 8078.81 7989.45 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol 2466.48 3224.66 3413.72 5386.08 2680.84 16158.32 3395.1 1826.04 3586.16 3136.26 3077.27 2289.91 2903.49 1221.05 1493.55 2542.45 2659.16 2032.35 2212.56 505.42 4869.31 16529.83 1623.5 1647 3358.61 2269.31 2643.03 5033.22 2063.96 5737.09 2117.53 2251.58 2357.32 1985.14 19756.42 1995.32 2797.12 9316.11 2241.03 4983.26 1544.18 1682.37 2824.32 4914.84 1791.2 7646.21 2653.99 2554.74 439.05 1261.78 1884.79 3668.83 1220.22 2982.37 2296.07 12760.82 2190.09 6218.84 2788.11 12644.8 6046.18 5779.91 2200.46 5213.12 3553.83 2101.23 4042.29 3139.7 4485.01 1278.52 1996.46 2566.06 1289.48 2350.39 2397.82 4055.94 3131.2 3118.43 3204.16 3528.15 3619.4 3561.19 3325.03 3619.6 aflatoxin B1 dialcohol 761914.75 456311.02 170939.09 184124.56 668931.09 403359.07 312518.02 875087.78 917254.5 572643.68 281552.77 487967.72 252344.32 406067.88 621428.83 504321.1 279589.25 623130 565669.95 899339.13 728647.33 196787.06 172147.16 304146.76 823603.09 626606.76 425383.61 637446.37 863209.66 659623.2 924353.83 642905.08 369737.61 276233.67 246834.68 829462.17 726328.16 379682.28 375537.77 457161.35 981163.91 993542.69 274588.66 312917.97 718489.19 398053.68 880459.2 503764.56 672408.19 736946.87 652609.57 399572.85 242833.38 352833.66 613575.92 391308.26 111073.49 118225.45 608894.67 222439.91 205294.11 202326.79 401913.33 321281.78 436527.25 667897.09 623038.75 509205.82 607507.18 739725.92 789114.53 522222.39 593770.01 309227.18 387546.92 593322.53 591279.41 592898.66 589842.97 591056.68 589823.67 592980.77 592952.23 589815.86 2-Oxo-3-(2,3,4,5-tetrahydroxyphenyl)propanoic acid 22771.27 9159.65 27691.29 25906.49 9932.69 8808.46 12173.97 10922.46 11573.56 687.96 17065.25 4480.36 10826.86 27948.99 3452.41 10305.21 12367.12 7802.29 489.78 5502.51 20363.24 5158.39 15867.67 23244.64 8581.27 1153.75 12598.97 19129.74 10163.25 4689.1 7437.82 7223.93 5279.02 21583.77 20453.46 2271.46 19134.54 9936.14 49257.15 11900.42 3761.68 2788.61 13708.57 31190.88 10606.78 39239.59 6866.44 1290.13 9853.02 3489.15 24601.97 21594.3 19709.01 23980.76 23284.04 9520.42 18298.77 14435.46 4106.57 679.53 19450.62 16736.52 33264.6 10606.44 3641.75 17242.48 9965.48 8998.55 15436.72 16609.54 7301.73 3515.78 35577.09 20582.47 22975.42 12936.05 13013.52 12940.34 13226.47 12766.37 13013.81 12960.49 12935.14 12935.52 Pyranocyanin A 2793.78 283.78 2198.76 307.78 1759.88 66146.22 804.09 577.07 442.78 12927.13 1602.53 282.86 1567.69 2936.31 2187.84 233.4 271.45 1768.53 1769.15 2424.7 3456.32 21223.42 1608.46 192.19 2748.94 21102.7 2027.43 254.89 168.11 1572.91 2393.84 950.63 3673.23 3024.64 456.34 1417.3 1838.48 22095.52 1346.7 4025.26 360.44 662.4 2042.13 1912.62 1649.37 346.54 1541.28 361.52 1845.21 389.5 2229.33 1962 1703.99 2265.7 2215.76 244.57 1177.56 1123.03 246.35 46886.04 266.76 285.3 185.31 1669.61 1317.34 814.45 349.63 1410.6 213.31 1698.11 319.95 6746.35 409.55 317.31 394.16 5694.14 5632.21 5605.35 5990.07 5691.07 5684.04 5445.41 5552.73 5558 PE(18:3(6Z,9Z,12Z)/22:1(13Z)) 318.73 364.22 8229.97 401.27 763.29 1537.35 332.46 971.33 661.26 8499.18 6484.19 1373.8 774.18 1016.5 848.5 1974.07 7804.75 299.17 528.45 617.96 1211.62 298.67 1143.75 443.31 406.31 788.68 8008.9 7946.05 656.85 333.87 1226.41 669.4 2054.83 1171.57 1102.57 1309.46 609.64 335.68 979.2 324.78 901 2725.23 435.1 468.76 2084.34 1013.68 1768.22 1285.55 707.1 2000.06 784.17 1751.4 1104.39 1591.61 1335.58 1195.88 1647.64 1034.93 959.88 645.76 903.21 793.23 1888.16 706.59 793.39 1412.74 788.72 549.98 674.87 879.3 653.04 807.04 351.28 1505.56 1018.21 1679.19 1836.21 1957.85 1796.16 1743.83 1834.98 1835.44 1835.82 1798.53 Homodolicholide 28060.04 129616.92 19025.87 20988.34 16766.57 41756.77 11764.37 75374.46 74029.05 44832.58 55280.57 70824.98 22607.38 35597.33 88643.91 10354.55 27234.69 19114.87 108604.44 16446.41 39405.82 11806.38 7029.47 25772.78 63684.49 73666 15316.1 55580.12 80867.78 27980.73 34907.86 36561.35 29496.06 11386.8 8176.74 115218.21 87825.51 93069.33 53587.13 17141 15535.15 12072.15 21891.9 16432.22 16942.2 6734.13 142321.62 26224.58 6984.76 9931.27 21816.08 14028.81 20834.87 15164.2 29173.95 158060.18 12022.77 12637.15 3654.79 4505.85 16066.4 15342.71 21259.17 23134.16 9656.96 22206.51 200657.04 7850.3 25878.87 25269.12 15387.28 90008.86 21510.26 6491.31 2778.13 15844.96 15467.19 16854.62 14984.48 18339.5 17169.54 16713.89 18419.66 17728.79 (4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid 18145.81 36302.67 10620.68 9761.93 13493.59 10385.5 11227.38 19155.17 688.86 28796.6 11166.79 15154.63 19557.43 20503.69 25785.66 17341.13 10390.3 18439.39 27904.2 15282.66 13113.6 8989.01 15318.61 17706.99 31901.87 18448.67 31872.92 22967.13 29883.38 9541.88 5164.02 19649.23 19106.57 9927.08 9324 30759.89 14786.41 14580.91 13783.16 24463.12 1917.1 14393.07 13978.72 12937.54 11971.45 9076.17 12769.28 37189.71 16321.11 18190.13 9985.58 16386.79 11556.06 12334.38 12086.26 29054.87 11187.39 12637.7 20357.09 10057.1 9605.9 16596.58 15781.51 8358.37 20138.55 22794.1 10517.97 29748.58 26160.52 20138.04 16118.58 27008.13 13393.72 16791.66 12998.4 15976.02 15976.34 15899.53 15478.12 15986.66 15732.27 16113.8 15439.78 15697.98 1-[8-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-3-methylnaphthalen-2-yl]ethanone 15953.32 12491.68 20555.19 26177.19 21372.57 14413.4 29839.37 16651.47 17813.56 24527.49 28872.71 22724.13 24304.36 25462.61 3146.8 35530.96 23114.12 3478.39 35594.29 12981.92 14521.68 8344.25 29898.06 31387.8 15399.46 9640.69 40434.01 39797.7 16719.86 19111.74 4210.82 42776.04 8525.22 29759.68 33223.82 18061.54 9593.58 3841.35 30286.24 23306.83 20760.34 19250.44 32282.81 23106.76 20462.55 25459.74 11624.74 24504.81 22802.13 38639.57 18599.64 15680.49 31394.3 37342.3 12277.58 13812.82 12701.71 22025.06 14697.96 7150.15 20908.98 21865.26 16665.78 26917.99 28811.18 20087.3 27339.76 26973.11 25163.25 9355.3 2899.88 29439.63 25913.27 32007.11 28850.53 20764.94 22348.5 21274.75 21265.45 20751.26 17916.8 20757.85 21081.66 20815.4 LysoPC 18:1 8863.43 12590.53 38422.33 20703.19 19238.8 53747.32 8170.52 18295.87 8618.67 10926.08 6394.65 4408.13 44414.65 33623.55 6044.48 4287.92 15390.93 17133.2 16094.59 25443.36 1644.73 3901.68 19632.33 5656.52 6244.8 32254.76 11597.5 22893.48 5657.17 26166.69 4735.2 74463.56 18536.94 17903.64 5097.64 3100.26 4822.01 96292.81 5032.34 4430.07 71739.98 34745.44 8958.63 4245.76 26406.16 9089.75 6146.68 2405.13 3640.37 18719.58 8494.42 6322.42 17347.02 101136.95 6241 8114.92 35283.34 9597.19 3174.89 6484.24 43623.59 14390.29 43519.27 21139.53 2314.92 14883.13 12923.04 19740.41 4774.04 3857 1537.07 2939.04 5393.94 15567.95 33267.1 25632.87 28913.09 33156.93 26992.67 29249.82 23449.28 28299.76 37011.88 25497.6 Bacteriochlorophyllide a 2431.44 2179.79 996.27 817.76 2917.68 3009.51 441.88 627.83 4697.94 3256.52 548.05 1603.99 468.21 597.63 3359.57 1872.43 4985.67 5082.36 7821.71 4125.07 1484.62 3982.82 1230.25 491.62 2788.17 2772.38 1243.24 1035.51 3248.15 1325.22 1608.91 2965.71 2409.46 1327.57 1070.37 2373.65 2804.93 2514.11 1113.97 594.21 3816.87 8593.98 542.12 671.37 3268.01 2749.4 3568.22 1892 1296.6 2781.9 1939.88 1188.14 2040.22 2464.49 4238.52 2317.03 1121.14 1631.82 2141.59 2258.55 1697.82 1219.1 2222.17 1704.13 1859.28 7127.49 3036.36 990.52 1844.6 1177.81 2422.06 3817.27 2081.16 1555.07 1537.77 3501.1 3295.3 3549.53 3022.78 3546.73 3172.24 3642.51 3423.28 3640.03 notoamide S 1908.57 780.85 3401.48 5861.1 1749.92 9327.39 457.72 2140.54 4276.69 622.77 2799.61 2217.1 5594.79 3828.01 3087.01 2591.46 1390.16 3207.16 10489.95 3966.43 6447.55 10592.76 3448.1 2240.47 2101.19 1697.13 1326.24 1999.61 805.91 3348.87 3926.46 5071.01 4396.57 1513.82 450.56 4687.23 2496.44 7926.32 1235.66 1424.33 4389.49 6079.69 519.14 2511.27 5135.52 728.56 4846.1 2438.54 588.15 6512.31 3226.76 4581.75 4491.05 5580.15 3643.25 6915.02 2672.75 4747.26 2055.83 6420.31 3484.35 905.8 3890.59 6120.86 1498.56 4598.03 10190.39 3487.31 2022.88 3527.73 3886.99 1043.94 2791.79 7745.01 5576.16 3189.83 3786.36 3701.63 3770.37 3960.01 3963.19 3960.75 3946.92 3807.49 R.g.-Keto I 10086.32 10564.66 9140.23 9845.37 666.09 4666.87 5411.79 11013.12 11984.86 10681.44 11651.41 8710.94 7854.32 10801.57 10587.66 753.36 10742.14 9692.06 11112.22 10375.05 9823.27 9513.02 9737.21 14052.22 9450.05 10452.4 9840.67 12110.28 9705.87 10024.1 8945.74 9207.94 7607.34 14032.06 12276.89 10401.94 10932.87 9884.02 11842.45 11365.4 7340.87 10720.71 11437.53 14379.7 10125.23 9643.39 10142.49 11676.51 6965.9 10008.65 2614.39 11898.37 11638.57 11413.33 10922.94 12043.77 11191.77 13275.49 11227.25 13812.53 11871.31 11739.83 10647.84 9904.57 6456.93 9896.43 14727.72 13492.09 11972.03 10032.92 11659.93 10589.71 12572.46 11581.15 10239.17 3218.89 3020.58 3106.73 3370.74 3128.8 3002.28 2924.69 2491.03 3394.49 3406.94 2639.99 3434.36 3668.3 3334.2 2843.01 2956.35 3715.16 1929.97 3729.26 2948.53 3419.06 3349.89 3519.69 3854.36 3280.13 9666.88 9723.45 9704.7 9580.76 9927.34 10231.36 10002.32 9804.4 9932.15 Tsugaric acid B 16561.78 36043.17 4868.62 13648.59 8369.72 15742.28 20441.15 68907.56 15327.81 19123.08 14571.72 50978.4 41697.91 71536.82 18929.11 13772.94 23829.34 19357.47 14194.09 6352.68 20408.1 22736.91 33233.79 17834.44 22370.99 18973.95 22880.42 27973.98 19327.77 48886.59 14987.37 65506.29 652.46 85541.07 22515.56 27837.95 23984.03 17841.63 26179.86 23964.86 27358.8 39437.96 106218.26 29414.53 16211.92 26194.49 2842.3 28581.94 21477.48 11163.04 32041.75 33439.15 42755.06 28405.27 21068.11 18717.66 8307.75 2844.46 7959.59 3402.79 29199.14 75621.68 9340.15 14492.44 7928.45 25556.03 16074.87 49256.55 42054.67 8281.76 14058.11 33050.37 15505.84 2584.78 23565.68 24446.38 30786.03 31676.48 31030.81 33214.78 31628.52 30925.08 32012.74 30682.9 LPA(24:0/0:0) 40299.09 53734.15 50360.97 51040.43 55854.09 68007.63 65105.28 94009.38 50177.09 50447.67 85148.25 45250.13 49267.87 55190.03 51681 52412.1 56558.23 58833.4 65449.84 62722.53 79035.31 45035.05 41134.88 43913.23 39884.13 49711.31 43407.83 48909.77 47448.34 49319.68 49773.46 66013.75 46763 55949.55 46856.32 49419.7 48642.27 50261.62 49887.07 47964.53 50740.5 59717.97 55014.9 44533.41 50915.77 51342.84 49062.63 45994.88 48630.84 29212.44 22995.99 26320.49 26423.64 28837.48 42953.55 40534.06 35215.88 41019.52 41417.77 39684.41 44577.24 42601.87 42060.66 46335.33 49882.23 51634.8 62707.7 53911.15 53310.43 48276.23 52760.31 51111.04 52014.37 63986.52 25765.93 33641.87 36639.61 37870.77 37480.46 36706.88 37850.28 36642.91 37850.44 39801.35 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-7-ium 1625.96 681.96 4359.36 3199.07 2241.86 1692.12 1633.67 630.37 633.99 1204.73 1250.68 1105.3 4257.34 2602.89 2057.86 777.73 2868.68 4414.73 593.92 713.12 531.29 1564.67 2902.9 2787.98 1412.08 493.14 2776.13 968 2233.72 2198.42 758.95 1279.38 1829.29 1247.58 3270.29 838.77 3796.65 2571.55 3534.12 1798.65 1254.11 2054.56 2971.84 3732.26 1356.06 979.61 2698.48 3024.79 1412.52 1705.7 1815.61 3662.12 2149.71 3208.8 1841.03 3753.47 6908.21 3824.39 1353.01 1664.67 3808.35 3527.21 4915.12 2982.95 3457.59 2706.37 1843.21 2553.59 3972.08 2627.5 1890.96 1313.91 4754.96 5090.01 2474.49 2395.11 2628.56 2460.67 2412.31 2635.36 1993.17 3084.54 2607 2456.58 N-Oleoyl-4-aminobutyric acid 7762.15 12226.32 16134.47 11055.3 14395.81 20656.25 1050.23 11320.62 14003.75 11826.6 6049.27 12304.72 19466.2 18770.6 9041.11 16345.41 24999.57 26317.16 15653.05 24583.65 17516.03 6637.16 16950.13 4333.07 11243.39 19835.11 6134.55 18958.25 9417.64 7193.48 23698.69 12407.93 15688.02 7250.24 14379.06 14629.25 14004.27 21201.54 12540.76 16168.34 20951.83 13711.82 9030.8 16123.79 14308.68 10047.33 19023.56 20353.77 11609.08 23159.4 26650.86 22955.53 14374.25 14057.24 15053.01 20648.89 11687.01 6565.33 12828.42 12274.17 16851.48 7216.31 11965.23 6715.05 13828.53 17660.22 18384.85 13056.95 9028.68 6863.67 12501.37 6564.27 11493.4 12490.13 17622.03 16253.57 17355.06 17335.3 16934.09 17123.13 16908.79 17448.57 17334.84 17023.43 4-Amino-1-piperidinecarboxylic acid 1634.41 2434.05 2011.52 2698.53 1677 1691.69 1359.82 3129.32 3624.17 5207.68 620.09 2515.99 2426.79 3290.78 2865.67 3507.01 2877.67 3537.26 3875.72 3363.05 1514.75 1571.56 2728.77 3226.74 2513.76 2088.55 1490.02 2330.17 801.2 2278.55 1798.63 2764.64 2311.14 2458.64 2128.38 2756.02 1110.07 1111.97 2048.61 1494.95 1382.61 2310.23 1631.01 2031.17 2227.68 1555.71 2175.5 918.83 1379.76 1284.26 939.21 1569.97 2669.56 1298.59 947.33 2189.78 1833.11 1581.13 2040.04 927.66 1909.45 2131.62 1879.74 1723.86 1865.36 2305.75 1894.74 3338.02 2961.37 3538.13 2381.38 2443.85 1825.58 2081.52 2600.82 2768.54 2687.14 2701.19 2838.17 2780.57 2739.28 2800.32 2800.66 2631.86 cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester 1872.33 751.29 178.64 3405.78 6880.26 34118.82 619.17 978.57 358.17 3102.19 407.48 647.9 1000.78 359.22 306.64 350.52 2031.78 312.73 924.4 1201.69 209.67 1099.74 260.25 282.19 469 13698.56 762.4 919.98 1323.42 1615.47 1414.28 348.98 5418.76 404.05 2772.73 1146.33 1119.36 15819.7 1140.6 756.44 949.74 320.46 1346.18 378.87 1097.29 433.94 1378.63 1308.48 1170.94 1041.02 994.19 572.87 1190.41 1260.23 788.81 1256.79 3671.47 3249.57 1246.49 27234.61 810.13 2274.23 2276.39 198.2 378.31 349.55 990.51 229.27 184.57 1290.78 1050.42 2026.29 247.51 463.92 293.28 2950.36 3020.47 3594.16 2988.52 2242.09 3014.12 3186.26 3006.9 3204.17 Chivosazole E 1075.95 1626.54 407.02 446.46 1433 1109.82 497.92 1069.76 1277.92 1159.79 947.68 1937.74 455.67 530.53 496.54 971.34 496.77 1840.62 3147.23 1943.39 2239.34 869.13 231.83 625.86 1205.92 599.61 806.84 322.5 1303.44 425.51 928.64 2686.21 1289.08 1996.23 256.62 2037.46 4501.93 1332.56 799.63 1231.62 2312.25 3029.6 3723.45 2332.11 6688.86 2222.18 5200.59 2603.42 1494.47 6623.19 2780.66 3615.09 4409.56 1376.49 2149.25 3215.71 691.63 1144.13 5407.06 454.66 1795.72 499.65 3890.98 4509.98 4266.17 2026.8 5162.86 989.5 1386.65 5815.66 3124.84 3509.64 2048.48 394.23 1034.25 3947.33 3854.83 4045.49 4123.64 4071.4 3356.59 3729.49 3804.69 4261.45 (6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol 5674.44 5282.73 797.14 5801.92 3132.25 7015.34 15832.73 30194.63 1154.57 7239.53 18455.53 5976.85 6549.81 8661.66 6812.8 7211.86 9172.55 9723.88 7017.08 1211.29 10020.42 7539.24 4560.88 4693.95 568.04 6009.21 7057.24 1032.94 1249.16 2155.39 5135.36 1602.45 7068.42 9336.32 8513.86 3642.22 6489.65 6892.75 5634.54 7058.4 7501.16 8297.62 4269.99 9165.26 7265.77 7048.4 8538.38 8612.36 1019.8 3422.13 5523.97 8754.07 5233.59 7239.34 18277.5 12926.43 3907.72 9584.69 8336.04 10081.34 11101.83 8168.56 6732.74 7311.18 8488.14 8301.73 10870.34 10284.71 6677.53 8029.43 6060.53 8199.52 5901.85 7769.15 4612.85 7067.19 6571.46 4341.01 6407.41 6969.89 6574.48 6409.98 7230.73 6788.55 1,26-Dicaffeoylhexacosanediol 127895.48 163727.64 147176.32 162759.83 153592.1 179493.74 96871.87 96355.01 122847.18 112568.28 86665.04 125597.72 144174.52 165909.79 133056.03 149458.92 157593.97 178908.46 157301.75 1184.26 178857.44 134631.68 133170.29 113248.51 124134.47 175808.53 117458.08 139022.59 133918.13 168201.6 174084.78 194665.61 147328.54 177930.27 100706.37 140753.52 130737.67 196366.54 143335.3 124459.95 260687.55 241388.05 141928.95 130845.81 182940.89 117524 164848.3 178628.02 154672.08 295707.57 183752.27 216873.58 150440.98 184170.73 115132.61 186165.3 142113.39 114679.91 109176.16 119514.78 112569.18 99004.02 131810.61 115635.12 98683.33 171151.1 237997.87 141834.99 116396.21 95628.17 160175.43 123167.65 130941.98 224183.69 184900.26 3590.81 7573.46 3031.24 3864.73 2118.49 3655.82 2898.87 3741.61 3240.22 3869.28 5115.49 3804.28 3560.84 3394.46 3692.4 4003.39 3970.13 3642.71 3688.15 3381.29 3651.61 3714.95 4115.6 4087.67 4046.91 179139.93 186317.44 186255.21 186277.37 185364.06 184090.87 190602.75 184003 183930.06 3-(2'-Methylthio)ethylmalic acid 7559.25 6549.91 4772.43 8142.53 7139.98 8035.98 4938.43 6117.52 7673.53 7724.96 5472.05 6411.25 4299.58 6099.77 4896.28 7430.51 6050.58 3979.24 6633.6 4788.4 5055.93 4635.26 4685.04 6709.65 6202.15 5418 7759.84 3373.12 5641.17 6979.46 5980.67 7272.5 4376.18 7132.29 7011.87 8749.16 7853.34 7782.9 8472.78 6745.57 7697.08 7475.78 6965.63 8844.92 7776.61 6564.21 7582.75 7724.45 7691.87 6873.48 6844.28 7395.62 6812.77 6528.2 7203.33 8624.95 8496.33 9915.18 6572.53 7405 6688.87 7078.24 9809.28 6692.49 8802.64 8491.8 8634.05 8560.79 7155.92 8384.03 7662.46 7343.28 7441.62 8102.56 8047.2 7535.22 7760.34 7471.11 7740.29 7914.72 6858.04 7764.65 7748.18 7740.87 Ichangin 4-glucoside 124824.31 74593.3 48016.47 59957.46 9702.92 30816.89 82600.54 18320.92 17117.06 27373.83 44202.38 34678.03 48067.63 43130.4 193530.36 103493.71 64461.93 2551.5 69695.75 271001.74 38637.87 9779.24 28273.33 59586.18 22205.64 37607.94 54750.5 32532.58 12304.02 11515.81 39252.09 55489.19 150257.16 49725.47 63025.32 5774.8 14199.24 32462.25 44471.76 48259.99 14724.48 8954.77 69558.86 45201.71 21915.7 57463.31 16733.42 53467.25 13837.63 93652.79 9466.35 24301.09 45192.88 70753.94 4228.7 23737.71 43731.17 39858.81 9664.29 32021.86 40808.11 37350.43 11623.85 82864.85 47792.99 18005.87 33144.23 63815.81 35475.16 6391.38 37110.98 31761.91 51960.91 63328.34 76893.48 25420.47 24302.13 20716.77 26631.06 26812.16 28248.78 26643.22 24870.01 25370.46 [(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] 22-methyltetracosanoate 9473.17 8902.46 2766.42 4327.22 2229.66 2121.44 4759.65 8570.47 4481.04 7135.84 2645.06 6063.43 735.96 1515.77 2197.3 2978.25 1810.31 7894.71 2823.34 3624.53 5112.84 11672.87 2529.33 1728.57 7945.24 9765.34 3089.06 8449.6 4147.84 10186.39 4479.49 7398.02 2732.2 3999.66 1808.88 2722.98 1881.96 6730.74 2024.55 5742.6 4394.56 5144.83 2183.49 5492.6 9038.08 7817.61 2734.57 1280.73 11387.26 7988.57 15587.4 5302.56 2048.35 1926.06 1868.71 2063.35 3404.5 6769.41 1113.15 6159.28 947.04 2507.3 1540.59 2494.98 741.24 2558.47 7727.79 3696.93 3406.63 3520.65 3055.37 4782.34 10500.25 26666.73 9606.04 4324.15 4302.37 5433.43 4945.92 3757.7 3836.24 4328.14 4717.36 4826.97 [(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] 22-methyltricosanoate 11536.6 5167.48 290.63 5027.22 1767.45 2150.46 7523.15 15612.09 413.11 294.74 7408.65 296.16 2341.63 1500.53 662.67 8384.69 6654.28 3045.11 9644.89 1564.41 18950.45 8220.27 478.49 7522.13 356.06 8076.23 462.84 390.15 1270 407.31 3365.86 13271.61 6407.4 29664.31 24104.16 27795.55 18380.21 375.25 17526.98 8874.55 2350.9 5836.93 31795.92 2496.06 5321.19 11577.14 29822.9 38518.47 35723.79 23833.8 11641.87 32569.49 30167.95 23410.16 34886.84 21018.08 36684.81 20872.69 31611.83 2929.22 25844.49 16113.15 33675.6 56720.14 32954.1 18285.73 456.82 14177.64 3308.11 34310.32 4348.91 10377.14 21458.86 24557.01 19682.34 24643.28 24087.07 23234.29 24323.23 25022.11 24120.28 24703.68 24262.87 22874.92 Tricosanoylglycine 6055.45 4989.55 3692.21 3067.18 9158.85 6134.51 4345.2 5180.87 6396.52 5637.96 7916.8 2284.05 6516 5308.82 12841.99 33988.02 4629.67 677.29 14576.1 4211.76 3696.66 2881.8 3861.77 3535.06 5019.65 3046.79 3274.48 6484.73 5177.35 2556.03 4600.65 2966.3 2751.45 1187.72 4978.9 3306.42 3982.2 930.44 3717.29 4851.46 1876.88 4841.94 10136.37 2829.44 1859.24 3309.32 7094.04 41702.64 28554.97 6983.14 2877.68 3988.41 16051.83 8895.82 6318.41 13563.86 4517.74 4005.94 2243.49 985.98 4471.54 5895.46 7065.51 1788.26 6032.51 660.65 31007.01 1636.99 5413.27 6111.77 7950.11 5035.53 3263.39 9777.19 4639.13 5876.34 5885.62 6095.99 6111.3 5937.51 5903.37 6177.66 4603.55 6108.34 (+)-Sabinone 2960.01 2273.32 3960.54 3460.34 442.94 3572.78 3030.57 4304.55 3212.15 3765.74 4066.42 776.79 1875.98 3114.09 1997.39 4573.08 3348 3219.46 3062.67 3004.31 4336.05 2314.95 2456.66 3595.08 3016.52 3258.73 2683 2790.95 2637.35 3373.08 3090.14 2808.76 2590.97 4911.13 4952.78 3024.21 3285.59 3427.35 2800.82 3670.58 3265.17 2733.72 3439.19 2567.91 3798.31 2333.79 3841.03 2561.59 1184.7 2874.36 5019.37 2647.21 3488.07 5912.93 3625.67 3533.25 3472.36 3568.89 2982.64 3786.73 4050.37 3016.61 2516.54 2948.84 2872.52 2966 3054.57 3120.5 3815.22 2981.94 3713.87 2942.31 2598.41 3100.2 2995.28 4111.14 4136.1 3888.3 3545.03 3892.62 3645.68 4015.09 4555.66 3958.27 3-(4-Hydroxyphenyl)-2-sulfooxypropanoic acid 4804.63 2012.44 5098.5 5530.49 1710.03 2401.26 3007.15 2103.82 1860.2 1366.48 2251.97 1963.16 982.46 4164.73 632.24 2366.23 1893.43 682.07 2488.45 1015.17 2339.44 1697.91 1489.69 4513.15 1778.51 849.84 1266.91 2921.82 1425.92 661.16 631.93 1128.81 811.77 2623.03 3660.18 1348.51 1868.5 1177.44 7852.86 1638.48 1154.14 952.69 2358.36 5017.31 1552.09 6201.35 771.65 1671.8 1693.93 1542.8 3959.44 2023.61 2280.25 4080.18 3866.75 665.99 2302.41 1132.77 1071.29 1834.57 3655.02 2022.01 5061.03 1401.96 833.32 1453.52 898.34 965.42 3456.12 1768.23 1992.04 781.72 5667.96 4006.83 4350.27 1394.43 1526.82 1495.26 1652.61 1536.01 1565.87 1464.5 1487.55 1499.38 L-Metanephrine 1645.25 4609.41 4482.37 4948.17 4738.62 3618.96 3734.5 5313.47 7791.32 4821.92 2730.93 2707.69 5622.8 5776.52 4907.58 5968.04 3530.63 6316.89 5871.92 8475.55 3641.36 2346.44 2753.3 2172.48 2276.57 3452.42 3441.19 2865.63 3735.11 2851.4 2652.16 4521.56 2110.92 4414.87 3515.66 9546.98 1802.52 3559.25 14761.49 2001.26 4385.83 2907.04 4204.45 4081.16 4744.5 9015.42 4540.28 2453.37 2154.97 3720.27 3636.55 3885.7 2697.08 4743.96 2913.97 4153.36 2931.61 3899.92 3153.89 2530.44 3869.03 3527.07 2906.15 3761.07 3212.66 20776.58 5402.26 3810.43 2664.22 19519.36 3562.21 3189.79 2583.46 6984.27 5017.7 3535.87 3115.38 3615.87 3392.6 3361.82 3389.74 3552.32 3529.68 3546.99 Benzoyl-beta-D-glucoside 5566.91 773.28 754.17 409.34 7083.75 5117.02 5068.23 7342.32 9779.92 1742.07 5706.04 6295.23 582.05 2427.66 8236.76 941.65 3904.94 3917.33 5491.18 1301.94 2302 3436.08 489.54 1332.32 6610.7 7348.43 2077.19 3663.97 11217.97 4745.44 2633.21 6951.32 1420.37 3711.78 4085.25 10786.78 5738.03 4020.92 4860.64 1238.17 13767.56 10108.88 2543.79 3159.45 9583.46 4441.23 7818.88 5719.58 5275.85 6902.79 8296.66 4240.42 3565.5 6089.03 4587.19 3717.86 2387.79 1803.42 3283.48 2571.28 2180.8 2092.68 5742 2071.2 751.58 6402.52 4542.49 3456.66 5803.66 6492.53 6790.93 3917.61 2561.33 2974.59 4039.89 5787.3 5664.95 5640.05 6096.59 5741.17 5747.25 5793.48 5699.76 5793.58 5-O-beta-D-mycaminosyl-20-oxotylonolide 811.29 878.56 2430.53 8001.78 2695.45 2201.47 2079.75 823.97 1904.6 539.96 3244.92 2286.63 931.78 1107.91 1416.7 1490.21 1356.59 549.88 3015.72 972.08 1357.35 602.63 2068.2 742.67 1983.8 726.58 5675.03 2842.35 1649.08 2463.5 547.86 1854.73 709.06 4350.49 4044.4 1141.1 772.06 1516.02 1595.44 1665.91 1317.24 1474.86 3670.27 3285.69 765.02 2183.34 2690.48 5644.58 2153.29 4740.99 1207.76 491.83 3557.52 2414.11 1076.96 1765.73 2779.15 2949.14 1056.13 1747.87 4891.79 2293.99 655.81 5301.55 4413.29 644.15 517.68 2436.63 4553.85 747.48 1310.87 4100.25 2173.36 2563.13 5155.34 3219.11 3058.73 3377.76 3059.71 3943.32 2935.87 3389.48 3011.67 2969.78 [(1R,2R,3R)-2-methyl-3-[(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate 1492.95 969.87 2292.85 9768.8 5332.06 752.2 7373.55 1848.08 12395.77 6240.75 1548.49 10639.61 689.78 14115.52 7394.87 7295.61 7613.97 7887.25 15289.88 7270.15 5425.86 824.15 8889.9 8919.35 1686.9 841.71 13926.11 1726.37 6079.02 10592.83 5553.19 2893.54 6163.29 9289.11 10613.18 7047.51 7348.52 9616.34 4169.52 9589.07 6705.48 9400.44 11245.15 10261.88 5882.96 10614.04 7088.18 7088.96 6797.67 9468.65 6220.94 6660.2 6715.61 12939.28 9320.71 6737.13 8032.49 10378.58 8187.76 5115.45 5598.78 7025.07 8869.86 6082.13 4377.1 10009.49 8424.3 8082.01 8481.94 4262.55 6431.93 5597.05 9299.4 3591.29 9522.58 8478.37 8787.6 8817.7 8280.06 8402.37 8254.47 8797.04 9172.47 8804.34 [(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate 4001.62 5568.51 3941.07 3914 4784.01 6212.09 6199.59 9649.42 6032.22 4965.08 9436.68 9268.33 7224.16 5274.86 6326.03 7049.44 6600.67 5260.61 5907.88 9105.14 11043.8 3622.58 4462.81 18268.13 3291.44 5456.97 4941.05 4683.74 5300.96 4053.12 4515.69 6453.72 4538.37 3591.66 4718.44 6544.89 4896.87 4361.23 4943.62 3781.4 7620.61 6497.79 6174.51 4513.42 6649.94 6460.49 6274.59 8260.5 5627.24 2914.74 3418.54 4374.65 3028.93 3682.25 4882.77 5585.51 3455.15 4195.13 4785.91 5004.8 5571.17 3781.01 2236.58 4109.18 3091.95 5654.1 6774.73 5601.1 3281.17 5292.21 5322.86 5384.5 5399.13 6189.34 4060 4768.83 4745.96 4793.23 4714 3930.69 4934.09 5279.78 4771.29 4864.34 3-[7,8,12,17-Tetrakis(2-carboxyethyl)-13,18-bis(carboxymethyl)-3-methyl-22,23-dihydroporphyrin-2-yl]propanoic acid 1389.77 1224.53 349.31 942.97 1515.62 3086.89 481.63 2585.08 3745.39 1122.84 1282.89 1487.14 1889.62 553.74 2154.75 867.23 1337.03 1058.68 1447.7 1794.6 2235.75 1583.57 667.11 756.94 2150.13 1865.89 796.72 635.96 1005.47 1377.66 3024.7 626.74 1327.37 449.98 1159.45 1717.52 1147.37 5987.17 1223.58 1264.57 1857.37 1321.49 708.44 522.84 2355.25 287.26 1833.15 1414.07 418.74 1310.52 3279.02 1528.4 793.97 3039.89 1323.47 3716.92 1236.4 1183.52 1492.98 2146.48 1034.22 1325.9 6912.42 726.06 1482.69 524.07 4133.7 1157.34 2438.46 529.06 5758.4 2323.34 2107.73 2946.36 479.27 1141.7 1983.64 2562.28 2101.47 2135.56 2427.79 2365.25 2212.5 2248.4 (3S,4S,5S,10S,13R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 9153.81 11079.34 20167.26 10325.71 11096.98 17618.02 10693.31 11989.29 16103.85 9439.27 8070.47 7970.69 9663.81 7897.6 10208.21 19042.17 9556.47 10650.7 11829.92 17461.75 12644.99 12229.49 8067.11 9000.81 9246.03 12067.62 7825.68 11663.32 16242.42 15657.29 9125.81 11777.99 11069.3 12327.87 16282.88 10877.52 10059.25 3663.54 9352.68 7612.15 5296.22 10135.74 16098.46 9713.55 12355.66 2602.98 14578.99 19635.09 10470.46 10206.47 5987.38 7878.58 14260.14 12283.1 9160.41 10032.04 14681.83 11273.14 5743.63 9614.08 7180.27 5692.23 12739.69 21545.98 13109.33 11174.73 6683.22 12054.39 8348.43 3793.6 8590.58 11217.51 7274.81 11546.49 15020.91 10563.69 10273.57 10532.34 10535.41 10530.02 10532.39 10369.29 9822.11 10361.05 Coproheme III 2475.64 8154.27 7581.24 701.84 1149 943.77 1422.3 1112.48 3534.24 6592.62 974.55 990.56 4103.53 6363.55 1218.4 6232.35 5721.45 2926.03 10169.04 566.99 3009.64 542.39 5991.29 10468.32 2887.08 5597.58 6316.38 9247.74 487.17 8166.45 467.36 12799.19 732.98 8052.83 8193.37 2090.15 3867.41 4119.53 7311.9 5827.4 2714.84 5344.83 15339.31 8504.48 7727.35 4288.24 1808.68 8008.45 7102.46 7554.77 4283.08 8807.1 9014.61 1366.36 1977.84 1246.12 5036.48 9250.22 3935.56 1136.23 7799.45 8224.31 1941.25 11434.63 7251.76 2463.21 5468.03 4991.72 7491.61 1915.71 1247.58 9956.98 8001.71 3832.8 5034.19 6132.2 6849.6 5887.47 5741.53 6149.39 6123.39 5838.47 5743.42 6007.72 Anhydroglycinol 587.32 3358.64 908.44 2083.49 1560.32 2067.67 2984.57 814.98 1238.57 2569.08 1038.71 2432.97 2471.96 2459.84 961.97 608.53 561.17 1300.78 3139.95 765.46 1521.94 745.7 1907.76 2832.04 470.51 1487.65 2010.3 1787.51 1582.89 1237.94 927.66 1205.31 3168.44 2041.56 2156.35 792.24 1163.43 999.37 1893.27 1655.8 858.74 748.29 2929.24 696.52 1219.54 2642.13 1238.5 3525.59 2455.13 1330.1 777.98 567.45 2921.29 761.9 1531.53 845.3 1084.92 1041.56 534.88 997.22 3251.51 2752.35 1047.86 1951.92 1804.85 1892.27 844.52 3032.15 1487.32 1308.5 1213.5 2703.81 916.15 1767.6 453.82 1738.51 1743.39 1678.06 1587.8 1759.92 1742.23 1626.69 1658.94 1838.6 (S)-Skyrin 2-glucoside 6119.7 4956.25 553.83 370.39 8171.13 2975.91 2032.45 12000.19 8121.85 2059.4 2773.99 5264.85 1835.07 3273.21 1201.32 4184.25 4020.67 7556.75 4506.95 8091.72 7762.62 3438 1593.21 1661.65 10497.6 5814.32 3909.1 5886.4 8877.29 7260.06 9227.89 3940.43 418.73 534.7 646.05 11044.28 7865.77 724.91 2884.48 5193.6 10778.33 5279.54 2345.36 2238.69 9178.8 1456.41 8055.13 4463.49 4809.38 6213.11 7394.44 4025.48 2322.21 3284.29 6952.72 621.74 469.19 677.06 5958.63 1157.55 1285.18 1183.54 3600.77 2020.24 3053.4 6398.23 4912.31 5348.27 7138.66 7684.92 2162.76 4902.8 5478.19 1701.92 3486.72 6629.1 6477.37 6577.89 6627.84 6460.34 6168.11 6464.67 6642.52 6649.12 3-(1-Methylpyrrolidin-2-yl)-1-oxidopyridin-1-ium 1179.35 1941.79 3367.35 2594.53 1294.55 1839 1220.22 1858.52 1218.03 600.39 1519.76 998.1 2628.15 2037.54 3156.36 1515.68 2297.81 1700.35 1308.65 1247.9 1381.4 1390.99 960.63 1372.42 879.11 2187.03 878.5 2293.71 711.54 1877.4 1641.37 955.94 841.8 1730.89 2438.46 1481.09 1314.31 1667.14 1719.05 2342.21 875.87 1546.64 1784.23 2275.52 961.43 677.96 988.61 1175.27 1514.76 1870.73 1266.35 1317.5 1559.3 805.33 1345.98 2826.07 3526.39 3513.71 655.49 1396.76 2516.89 2496.13 2885.82 2822.79 2345.29 1640.41 1075.26 2158.09 2377.9 1217.64 2190.63 1470.29 1673.11 3000.58 2551.28 1385.41 1390.91 1077.71 1326.93 1363.58 1316.36 1302.05 1420.54 1369.72 Pisumoside A 510.49 913.82 476.08 397.32 1290.78 1347.99 5055.94 1067.01 1035.43 725.37 1721.25 481.13 2447.71 1828.08 1204.07 3158.93 2128.99 980.36 424.31 376.26 1134.12 943.47 2210.42 2478.99 479.1 1471.36 1946.31 1277.13 1042.67 2356.1 1649.74 2616.7 683.69 4800.41 4595.12 1223.9 1596.93 2834.57 2048.01 3224.15 381.35 622.42 3842.14 2512.93 2701.89 3894.11 389.39 5248.33 2165.28 5140.57 546.09 486.51 5016.32 4712.32 1470.43 1806.62 3487.24 3166.12 756.7 1019.06 1486.93 2830.14 2181.24 5421.24 1436.84 1649.96 1073.08 1085.99 2025.23 1760.56 530.02 3003.77 4100.89 5322.76 4779.6 2584 2559.95 2598.93 2243 2530.92 2618.32 2529.2 2749.5 2620.8 Pentacosanoylglycine 4376.29 3589.49 3459.94 3576.48 3935.28 2422.92 1457.86 5219.31 4712.11 573.85 2920.88 5280.09 8266.9 2929.1 6926.04 17313.01 486.27 3244.57 7886.96 3081.87 2599.87 419.21 3660.65 3173.06 3976.2 2953.35 3792.39 4333.69 2039.42 3673.28 3701.78 4638.43 3531.62 3865.24 3437.78 4957.98 4034.95 2148.94 2585.09 444.88 3776.82 5556.47 7741.44 2745.56 1981.45 518.51 3918.3 23376.73 10948.31 3024.22 4735.46 5535.15 9923.14 4051.4 4696.92 7824.36 3590.76 2599.81 2336.96 601.42 3886.05 3731.39 3109.18 1851.33 4453.94 5834.56 14125.85 4469.12 5126.38 4839.3 4584.94 2122.67 3528.95 2065.99 4497.55 11565.36 7884.83 10731.59 10286.66 11342.71 11402.91 10836.69 11032.87 9860.89 11267.83 9744.97 9278.43 10633.28 11444.41 10890.59 9817.39 11823.73 9879.56 11286.12 10302.41 10460.31 9866.28 10922.76 10320.22 9963.07 4500.38 4710.43 4706.32 4806.43 4699.88 4551.06 4688.75 4793.44 4795.31 1,4-Dihydroxy-2-naphthoic acid 644.63 1788.87 794.4 2150.93 2744.51 1241.02 1638.73 1800.87 1125.18 1677.15 1227.41 1602.71 2928.81 2508.65 1657.8 1756.28 2126.95 1833.83 3421.84 922.58 691.62 2755.45 1620.13 2812.93 1242.17 1106.6 2348.09 1658.94 2799.15 1005.06 761.02 1830.99 1397.11 972.53 2535.21 1198.7 1479.48 2373.64 2021.4 1871.83 1137.03 914.06 1900.5 1602.06 609.27 1456.37 1202.64 2530.44 1302.91 742.31 850.98 1529.64 3025.78 1833.85 655.8 1473.06 1349.5 1021.69 643.24 1331.94 2652.81 2238.59 734.47 1834.03 1130.46 539.96 893.38 2267.23 2534.27 740.6 747.48 2414.96 1230.02 1760.64 1994.73 1462.83 1228.11 1246.38 1321.19 1324.22 1255.21 986.11 1321.65 1282.61 6'-Hmg sdg 950.93 1436.54 7966.09 433.04 1563.07 1051.94 13998.52 3038.29 1615.37 13692.77 10388.79 1154.53 579.8 2588.02 2120.48 2470.35 13610.65 494.87 346.78 1027.12 548.43 5675.56 255.6 766.09 1105.62 1029.75 576.48 2975.01 669 695.02 268.09 1616.9 9629.98 9354.91 4196.19 6825.27 3527.7 17820.34 1165.31 3175.24 8852.81 10905.35 10586.55 10784.52 6498 10540.58 13242.95 3061.8 8491.93 2017.64 9008.27 10541.64 8335.53 5357.97 4151.36 22194.6 27824.64 1579.07 33106.08 2679.55 6781.19 1709.59 5033.47 501.93 3924.64 11852.4 11455.69 12189.21 12509.37 2150.53 5769.27 15252.19 1637.33 2562.87 3083.39 9939.15 9903.34 9578.36 9525.9 10673.44 9897.65 8632.39 9523.69 9933.39 4a-Carboxy-5a-cholesta-8-en-3b-ol 1724.83 201987.93 107532.53 161635.56 60862.32 4234.75 61476.67 139401.56 139605.38 166930.68 87209.6 70516.27 61938.92 148232.07 130401.3 99691.42 122582.94 110141.82 85066.7 103682.47 82801.38 81289.49 46516.38 160308.54 139531.8 130714.01 183394.13 177444.33 108128.84 168599.21 145821.99 130813.79 50641.68 136538 158712.05 132667.12 157619.05 181714.83 172248.4 189495.6 124158.39 135932.06 155706.36 183377.68 133398.49 121305.64 130544.31 126873.98 82778.76 118389.81 133496.13 125125.64 134503.42 137881.01 112101.42 149720.45 98947.76 171722.07 144144.31 170001.36 167786.98 174177.05 139527.09 117605.87 128114.7 149937.22 166040.61 178038.99 197325 141364.04 177222.8 185622.35 168686.54 138000.45 155420.39 131074.76 128368.24 128382.25 128386.61 128029.38 127523.01 126407.55 127524.47 128358.68 DL-Glutamate 10348.24 15475.4 12453.36 10884.72 10557.4 35983.28 9500.64 10288.79 19552.78 18734.6 8688.91 13250.16 20414.34 22380.83 9124.41 9100.28 17271.56 24340.92 16614.12 27939.66 24662.18 15873.09 11564.43 3903.19 9474.7 18621.43 7977.58 9131.65 22982.92 27080.36 28109.27 38763.25 18895.78 12278.88 9134.46 19881.15 13023.24 31681.6 11814.75 13365.76 22918.02 22252.76 18635.06 16208.11 21802.55 6442.1 14938.44 18853.69 20946.36 24939.46 42565.2 23833.44 13519.87 23975.15 20429.75 17522.28 13297.69 10405.77 6075.44 6809.07 10099.55 7662.65 10954.84 10092.21 15710.1 17107.53 37248.25 17026.55 15154.64 10580.63 18212.35 14195.08 17160.1 14197.87 7084.14 14982.7 15602.38 15506.08 16186.69 16034.67 16235.6 16323.65 15518.57 15454.09 5,6-Dihydro-5-fluorouracil 142866.58 140478.66 136553.59 136696.27 151788.31 98896.72 57765.04 80132.59 130706.85 114462.66 19709.54 57464.25 66933.43 105458.61 101882 92788.67 89109.04 98464.96 105137.31 85665.26 59213.27 47138.76 59814.39 131079.61 145349.52 140823.57 114689.16 141235.59 134595.31 109066.89 111635.05 129175.63 56291.02 133810.33 122369.34 131668.39 124811.29 65954.92 120505.09 99358.95 93300.8 102024.68 124319.47 108730.87 122373.46 88897.18 124287.61 119612.55 80272.35 98779 91144.43 101121.91 107034.42 87618.99 55409.86 110719.7 106683.9 100386.41 105411.07 69861.27 100032.48 97694.41 109728.97 107105.07 117076.41 112415.99 99597.41 131606.93 120224.95 127836.73 106317.29 107591.03 67798.3 84551.9 102674.66 109209.56 110398.44 108806.08 109205.8 108802.72 108511.86 109205.89 109209.61 109081.56 Pentadecanoylcarnitine 11012.06 2240.53 1074.42 7938.88 4275.2 7465.46 1687.1 11415.46 8482.8 6948.44 5737.04 5645.3 5518.19 7103.81 1155.81 4519.03 3457.68 2794.12 23671.29 1507.27 1750.49 7257.67 6557.29 6317.33 7101.41 22217.94 3443.46 3020.2 1166.6 10742.12 9851.68 3687.61 9734.49 7675.81 4095.14 9001.96 14692.82 9842.16 6846.65 6717.16 13278.18 6066.02 8926.97 9068.84 9327.14 9920.35 7134.05 8058.25 4529.92 33310.62 6081.93 7174.8 6794.95 5774.79 3099.64 7829.08 10233.55 7384.94 7693.67 8908.52 8978.46 8647.7 5410.55 6543.15 6536.07 4460.12 8353.4 22336.82 22810.48 10523.8 9401.4 6434.55 4793.12 5737.33 7970.78 6163.01 6263.22 6585.71 6332.29 6240.7 6235.65 6166.59 6639.66 6229.7 R.g.-Keto III 1252.05 3224.74 1287.52 575.78 1957.39 1288.7 1497.23 961.65 805.08 1568.26 359.61 921.16 2483.7 1305.32 1096.69 462.39 756.17 1770.99 1792.24 2530.46 671.17 569.4 1374.98 1118.77 527.73 397.9 1468.06 330.87 2904.05 2136.07 1587.8 3960.44 1089.64 1199.13 761.64 1116.92 1104.34 1010.03 695.08 1319.08 702.39 3568.37 780.66 783.7 1386.86 1216.98 435.43 1745.45 621.82 2247.48 1575.06 1527.4 883.31 1018.87 774.48 1092.18 821.43 1236.39 600.47 469.84 849.76 908.18 731.3 877.14 877.78 1351.71 1658.46 1055.51 1446.19 329.74 809.8 1377.72 378.3 1075.56 1057.01 1509.48 1782.13 1809.24 1702.36 1813.17 1633.51 1641.04 2269.99 1487.45 (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-(2-hydroxy-2-methylpropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone 817.93 480.88 811.82 1072.68 1832.79 3466.39 912.26 5581.88 2116.5 2294.48 1001.88 2178.22 838.77 404.66 4599.33 1599.92 943.61 487.33 1491.88 1198.93 557.34 890.73 396.92 1364.99 1792.43 2366.13 1232.46 1524.34 3487.92 1055.44 430.5 7173.52 954.31 681.37 1758.54 2368.08 755.54 2432.15 956.13 352.85 1993.03 2495.21 648.19 1064.29 2306.27 724.45 1293.37 1086.09 2155.13 3928.51 1767.79 453.14 1149.28 2593.13 3517.6 2156.9 871.93 1067.56 2455.08 937.72 785.89 1414.94 1333.82 1128.51 1523.24 1152.62 1542.39 947.67 456.3 836.64 1097.08 1156.81 1903.01 1255.36 1069.1 1864.9 1210.27 2087.99 2058.24 1893.84 2000.42 1698.78 2000.96 1872.51 Mycinamicin viii 32592.39 21027.59 1075.49 8939.15 35100.47 567.55 21897.29 33461.7 32481.39 21798.1 16496.45 22859.93 890.49 16029.49 30997.22 21950.92 532.59 20146.18 1914.03 33235.09 37402.91 978.14 14232.46 18423.76 33968.33 27768.75 21314.03 44364.02 41516.21 19850.79 40906.34 4666.75 20712.47 12570.75 2913.12 41723.2 27492.63 2674.25 11924.05 10870.58 52724.55 49314.32 17919.37 14359.23 44360.26 12603.02 39606.91 22933.26 6108.76 30289.27 36453.44 29710.3 9959.34 29295.77 27800.1 21542.81 3706.39 3043.24 23970.57 4148.35 6630.74 16378.37 23048.95 3312.6 4309.33 33069.78 32973.06 9025.57 10103.89 29082.08 28592.22 3738.49 17271.68 7150.7 11207.53 25488.67 25864.82 27274.77 25747.62 24487.54 25760.68 25862.69 25859.91 25222.93 (2-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxidanesulfonic acid 10807.69 7846.07 745.49 508.78 519.89 623.78 2072.56 10971.29 13390.9 2598.18 3284.28 3072.49 1125.49 719.82 10750.13 4897.88 3128.04 9541.4 417.04 18271.74 10245.35 2715.51 2485.97 2816.24 8820.89 461.08 3300.83 5418.94 14089.84 3295.09 12389.57 2255.51 5217.83 1846.35 1562.55 8228.48 11015.14 3342.96 2378.41 4265.72 7778.35 6948.83 2763.54 2536.1 9249.81 1446.13 17554.17 4993.4 2511.97 7186.54 4639.49 4585.36 2085.59 2304.75 5380.23 5609.79 1178.26 1407.27 11434.38 1584 2287.86 642.32 5111.55 4372.4 6070.2 6296.13 10786.66 3600.21 6563.17 10883.86 15170.14 5104.82 7337.79 1518.87 5152.87 7207.96 6952.23 6942.57 7007.47 7058.56 7044.12 6972.08 7032.55 6942.74 Dihydromethanophenazine 7474.73 6199.37 774.83 4140.08 4581.05 12443.62 5063.67 4969.92 6325.67 4570.62 5049.37 7766.16 4487.29 4740.86 6094.6 534.15 1279.28 7112.77 3798.93 6531.85 5473.27 6263.55 2759.95 7562.61 5365.39 7991.94 7693 5502.28 6869.18 7527.98 8486.46 8487.94 1062.33 2949.66 4315.9 5635.49 4560.89 8684.98 4611.55 6282.01 3976.08 9756.23 5392.03 6394.52 8350.47 4244.5 8332.71 2277.83 556.3 5375.21 5475.69 6042.66 9737.25 5506.56 5122.86 10195.61 951.59 7418.57 5481.46 19663.71 5784.11 3416.22 3978.71 8751.44 4198.23 6981.6 11642.44 7009.33 6098.32 4684.32 8059.19 6360.97 3386.91 4448.74 8193.3 6098.88 6367.51 5852.28 5866.91 4210.3 6079.5 5860.83 6337.94 6053.97 [(3-oxo-1-phenylbutan-2-yl)oxy]sulfonic acid 1590.92 878.79 1528.68 1295.27 1325.03 1493.45 1988.31 1144.38 871.02 1863.95 1039.61 1098.02 717.46 1319.14 766.98 1220.81 1124.01 2092.39 1107.34 991.87 981.65 907 1247.63 1247.86 552.91 1063.22 1211.72 1134.83 973.4 1326.17 535.93 1615.66 459.1 1386.51 1110.6 875.14 1661.09 2455.25 1529.72 1065.84 738.41 729.19 1142.9 1538.06 520.41 1114.33 1268.34 874.94 840.78 541.81 1188.8 1705.75 918.55 1416.65 1313.89 854.73 1029.92 1192.78 458.73 1932.57 1191.39 918.46 1274.5 1509.62 926.17 948.38 2019.44 1281.52 886.9 1085.04 1207.37 1064.62 1241.44 1251.84 1324.51 1490.17 1377.2 1560.34 1511.8 1512.27 1487.09 1510.36 1517.89 1437.43 1-docosanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphate 1050.99 2532.53 2701.26 5173.18 4117.94 3349.35 979.73 897.45 1091.16 1518.44 1550.02 1370.8 2960.98 1762.06 3304.3 3711.76 2445.17 1515.8 2462.61 1313.33 2362.55 1422.76 1576.61 1565.41 1049.79 855.83 1405.06 1663.92 1427.39 1083.34 989.88 3070.18 944.53 2237.28 907.57 1827.22 1380.52 706.28 690.88 1739.76 6875.68 3509.24 1414.1 1179.86 3318.48 18289.55 3092.68 4665.86 1142.92 2825.44 1633.87 1562.8 1863.88 5166.1 985.36 2759.31 1009.86 1188.35 1204.35 616.45 1074.65 593.05 1893.24 1953.4 741.1 3021.22 3776.24 1156.51 2374.27 2145.7 1810.22 1424.85 1805.14 3343.43 4175.67 2246.71 2545.36 2447.72 2529.31 2431.81 2527.41 2460.33 2472.28 2497.16 N-Stearoyltyrosine 542.4 1587.73 811.74 1935.03 5766.68 5986.86 1459.22 1190.9 7432.69 1458.58 1138.49 1894.76 2978.42 635.86 2822.78 2970.04 1718.62 1603.67 2010.89 1230.94 2662.8 2788.85 711.17 727.57 1161.73 4402.84 1137.95 587.94 3251.26 1692.9 1052 4048.61 1792.9 1776.64 1408.67 1110.66 2152.99 1696.99 940.77 1090.6 574.1 1460.37 1379.36 1223.55 568.26 1562.22 789.54 817.98 723.85 6096.36 1398.18 1402.67 1646.61 6452.11 556.45 934.25 1012.75 909.39 1197.61 2163.26 1336.58 1105.78 6171.66 1148.25 624.59 2268.09 3475.59 816.54 1751.21 2353.56 2896.45 929.08 1042.67 1385.02 1512.91 1479.82 1412.3 1521.37 1427.42 1402.55 1484.88 1323.97 1382.5 1406.94 magnesium;methyl (3R,11Z,12R,21S,22S)-16-acetyl-11-ethylidene-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate 818.06 354.77 505.32 4079.68 11521.1 19616.57 18449.26 886 552.6 74.25 471.07 891.78 4726.82 502.53 434.28 1724.05 886.79 460.55 377.99 144.51 730.52 80.83 312.2 558.17 105.3 83.26 1196.38 66.82 585.97 82.67 76.04 890.88 415.14 1740.15 756.07 185.25 107.4 425.75 592.18 499.84 6655.58 1554.16 509 87.97 108.77 13167.06 125.32 82.51 467.93 808.96 7463.7 823.25 206.71 3480.58 2570.38 629.85 715.65 528.84 161.16 1363.86 79.44 293.13 533.21 175.03 330.8 3000.46 76.29 487.03 509.89 479.33 502.41 71.76 93.3 90.77 621.28 4073.94 4073.17 4093.03 4077.51 4120.55 3962.97 4243 4110.96 4111.6 magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate 1089.91 728.35 546.22 635.39 5770.66 401.99 494.44 645.72 341.17 377.41 672.99 1570.01 1703.3 750.97 439.59 615.77 476.3 1286.09 1017.42 472.81 666.69 319.34 471.25 819.31 1175.5 1050.32 756.44 522.73 272.76 537.46 446.92 2445.41 605.75 6509.5 5609.81 4271.85 3213.67 929.39 4309.55 2681.84 373.98 3174.68 4113.71 1786.01 1811.43 3166.71 3454.76 6715.52 8046.47 6359.78 2800 1489.02 9355.25 6280.02 1598.16 2284.47 3608.64 2783.43 1660.11 423.18 4572.59 3356.7 1489.46 6757.07 4462.24 2837.25 2392 4164.71 2947.1 1686.18 995.02 4214.38 2708.54 6410.44 5918.05 3655.57 3007.13 4008.92 2926.36 3565.75 3454.1 3553.37 3296.06 3657.08 Norbormide 42085.78 18360.48 523.31 6435.86 31891.04 13620.44 7159.28 41085.49 40546.63 2957.69 1253.79 12601.4 8690.86 11476.92 30532.84 20639.9 13059.73 27031.81 18978.18 41548.24 26792.11 706.05 7585.62 544.27 39028.86 24906.12 10335.95 19062.1 40853.29 24082.97 43121.58 24906.49 14589.81 3006.39 7956.18 34982.61 33934.79 14224.31 9081.74 19815.36 32277.71 33926.56 9780.79 6916.03 27157.27 11175.85 45515.42 10225.19 20052.06 29229.63 25643.64 14654.34 2033.73 5318.76 24384.97 13162.23 996.27 1358.1 30564.3 1482.53 1384.57 537.15 15367.47 13295.59 20364.71 25800.55 27539.15 1904.27 24267.06 40870.58 37733.26 19468.6 31003.78 1460.21 2333.21 25018.71 25295.39 25496.61 25008.46 25016.09 25006.17 25287.99 24949.98 25122.7 Pubesenolide 2342.7 2534.38 2029.85 2569.9 4433.98 6826.85 1321 3193.44 3122.1 2770.63 3823.02 2512.17 3307.58 2916.9 4885.56 1866.69 1883.61 8330.9 4384.5 11235.44 2293.54 2676.15 1705.45 758.34 2538.82 753.12 605.88 493.49 3959.08 2334.87 679.13 8338.9 3640.02 1480.28 1437.27 1708.12 3564.3 3213.9 984.53 1651.95 698.46 4170.36 2183.92 788.76 3720.41 660.93 5832.32 2128.99 1945.9 8097.13 4192.79 2919.54 702.34 2153.1 794.47 2531.39 570.43 2699.9 3263.49 2318.6 724.14 773.88 3085.03 3138.59 3226.6 1111.42 5503.62 1331.97 1449.42 3609.46 4877.64 2621.87 4695.66 4383.88 3957.86 3659.07 3667.4 3766.55 3656.18 3856.61 3885.54 3834.85 3663.95 2713.52 2-Formaminobenzoylacetate 3886.72 2461.02 2071.33 3799.93 1782.1 5362.08 3424.31 5674.42 6620.6 7125.64 3509.48 3877.84 2089.12 784.93 1316.5 3333.43 1190.74 1811.44 3457.46 3954.46 5190.61 3374.69 3587.34 4003.29 5715.44 6445.95 5022.9 5583.66 7390.46 4032.17 4894.3 4774.03 5034.65 6325.49 4656.68 6241.89 4398.66 6529.22 3854.83 2738.86 1351.44 4703.35 3656.68 2636.61 5131.61 4177.65 5227.48 3777.42 3741.07 5198.97 3019.73 5492.73 4032.97 6159.7 1156.24 2991.26 2823.7 2328.2 2666.79 3596.24 1045.09 928.4 3465.45 3697.31 3006.61 3263.66 4411.83 2976.65 3395.11 4975.85 6683.61 7160.05 4897.39 4345.07 3772.94 4150.97 4117.36 4150.16 4150.88 4150.54 4116.04 4149.65 4149.72 4051.68 2-Hexaprenyl-6-methoxy-1,4-benzoquinol 4632.99 8116.96 5049.86 6596.88 6648.89 2363.89 3970.05 5410.55 4587.79 3020.76 6270.83 6513.05 7716.53 6811.91 4859.84 7873.67 4334.59 3864.84 8529.35 5790.41 5657.55 3302.8 7268.05 9570.41 5088.67 2986.26 6593.81 7092.99 6344 9365.99 5591.12 11955.59 2648.06 6824.84 6305.25 2889.07 4159.33 4258.17 6360.04 6833.54 4174.12 6857.75 8018.82 5502.37 4037.64 8510.39 6003.68 7336.43 8355.62 12202.31 6578.71 5309.31 8208.93 11275.49 4903.48 4524.95 3155.59 4480.84 4689.45 1150.12 4897.6 4557.86 5081.02 10193.2 7438.2 7492.76 6777.8 6152.43 6802.08 6389.53 4644.65 3248.75 10037.65 10331.55 8961.38 5747.9 5422.54 1644.59 6220.49 5488.8 5519.4 5415.61 5923.33 5396.9 PC(14:0/P-18:1(11Z)) 1.68 1.65 1.82 196.35 1.65 1.65 626.76 1.71 57.18 1.87 1.66 1.68 323.75 2 1.87 1.73 1.65 2.15 1.79 1.92 1.66 2.09 2.21 1.65 1.76 1.7 2.23 1.69 1.89 2.35 2.13 1.91 2.15 212.17 2 13.3 12.57 9.8 2.73 2 21.56 17.67 2.05 13.52 22.07 1136.48 15.08 9 11.28 133.4 1.65 12.15 2.15 171.05 23.18 26.3 2.16 1.78 11.5 2.14 24.82 124.38 1.67 1.78 9.2 18.57 35.68 1.76 12.13 1.99 1.68 19.85 1.65 178.02 1012.87 103.55 132.49 110.57 115.07 80.95 112.94 112.85 99.25 99.91 1,28-Octacosanediol diferulate 1528.09 2108.71 221.88 537.94 788.96 394.86 3242.74 3763.85 2287.9 1925.2 1102.46 871.89 763.23 661.21 451.91 271.58 1365.18 144.12 2029.51 409.94 1951.33 455.6 176.13 2752.95 2275.62 156.69 1036.14 896.18 845.34 692.65 1068.15 774.96 509.22 299.39 1569.01 697.65 480.38 1590.08 8167.65 3780.92 1643.35 12936.03 764.9 3946.16 11471.08 4612.36 3915.49 1246.94 37376.28 8189.36 7973.05 1724.9 1673.19 4153.39 7631.65 4022.66 2930.58 1137.71 2432.05 507.41 3797.83 430.13 528.01 2331.71 1299.65 7753.91 200.92 10718.95 3581.93 771.71 6325.12 6647.98 8098.47 33211.97 22066.12 7059.72 6650.09 7074.95 6619.49 6888.85 6459.46 7128.69 7007.16 5125.38 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({1-hydroxy-3-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-3-methylbutan-2-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 8970.79 15406.95 6490.07 3288.13 12368.22 506913.06 249.77 456.41 35606.17 26250.34 312.07 12372.98 484.24 11885.6 431.96 8886.68 5730.37 27811.83 419.41 25407.89 11668.39 24267.81 198.7 6103.2 31932.61 255757.22 17423.21 6273 16638.29 7736.11 30670.06 26991.39 52291.24 5649.87 686.13 722.42 28462.96 215027.22 999.77 269.18 7600.38 2211.31 208.39 184.8 24601.94 10243.99 32814.03 30188.92 192.15 936.2 4834.34 21094.51 21059.14 19031.54 1624.88 14628.47 19195.65 10107.95 537.76 406609.93 212.97 177.46 750.06 198.35 20480.17 6848.17 728.7 166.61 526.17 609.8 645.79 21037.94 272.19 192.82 380.52 29321.39 29050.94 29040.97 28781.45 28963.81 28948.25 28987.91 29048.07 28948.29 N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine 3631.05 7609.73 9966.67 38088.07 2802.12 10177.25 11434.82 9543.31 3589.4 12886.27 7142.33 4113.99 39700.61 5350.34 10506.71 46963.02 11515.17 4346.62 15698.87 6494.63 5452.66 7462.1 15890.31 5939.16 6304.4 16296.12 20065.48 24948.01 5515.9 19058.77 9173.47 59829.75 8046.41 11176.67 8511.92 8393.66 6777.07 11566.4 8158.56 17799.24 16173.79 18951.49 8747.28 10272.1 8017.55 350797.77 11730.55 10274.96 19718.1 29072.63 16601.03 11424.78 8574.04 44411.5 9021.48 11722.1 8791.47 5455.47 3697.86 6541.06 3105.49 2460.81 2284.73 5671.87 3297.98 11326.78 4145.35 4882.8 4337.23 6467.76 2551.44 10246.78 5927.77 69328.22 7697.85 3470.09 3707.34 3729.75 3371.41 4085.33 4347.03 4180.22 3449.18 3979.04 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid 6019.76 10072.02 2991.57 2347.88 7857.59 13291.93 7305.86 10840.41 8069.24 6821.43 5438.58 5142.6 7830.27 6245.79 7455.67 5628.5 5640.96 5054.89 10865.09 2498.57 8239.91 12607.21 7444.1 5167.64 10460.27 8207 5183.28 5495.21 7712.4 2610.97 2410.44 7372.25 7541.6 7467.97 6594.53 9286.97 5860.27 13212.02 6622.02 5664.55 2164.71 9167.67 6995.64 4603.72 6306.35 6381.27 4913.43 7315.41 4996.57 4807.77 8044.04 10873.12 5734.61 6544 8835.78 15825.82 3833.5 3400.19 5455.84 14937.37 5069.74 7633.57 9285.97 3949.01 4161.66 11515.24 11296.71 6563.76 4787.99 8753.48 5360.66 5620.21 3330.66 6710.42 7315.14 7061.89 7066.23 7171.46 7170.12 7172.5 7063.5 7391.23 7065.72 6706.58 N-Acetyl-leu-leu-tyr-amide 40671.96 23425.36 5215.3 11729.37 73178.05 37526.18 21519.1 51915.44 41388.82 7893.33 17171.94 27168.38 15361.49 9563.35 42053.96 27171.07 3632 53702.74 7572.69 68308.97 54198.47 10315.7 4674.79 5302.35 57568.69 52176 28137.08 30838.12 65670.42 19926.07 52947.79 51861.58 4492.45 8387.44 6296.45 52981.6 44753.26 33478.86 8508.45 11626.23 69464.3 78894.88 13943.25 8889.67 65785.54 13041.88 50162.08 10494.22 13278.06 15144.78 41597.6 23392.92 8666.88 8583.07 39655.69 24889.16 5307.11 4926.87 58375.78 9571.95 11257.72 10745.5 19723.42 4435.36 5689.91 53928.37 31538.31 16695.77 18861.11 57247.41 52422.64 6795.01 25838.29 25816.68 10921.98 2852.5 5530.52 3060.78 2449.53 2532.54 2153.14 2144.86 2603.92 2270.03 2769.12 1941.77 2246.05 2108.03 2730.35 1991.57 1837.57 2044.14 3010.75 2867.42 2931.53 2342.63 2162.55 2103.57 837.41 2810.6 27997.31 29575.35 30304.97 30017.28 29568.73 29560.98 29783.12 29962.45 29572.33 Iriomoteolide 1a 181710.18 247184.15 225714.08 253880.08 231405.25 261959.91 167421.89 130308.05 186351.61 196596.82 137449.49 244735.23 287640.63 262868.7 214771.61 219927.42 292819.2 318366.54 252991.87 268332.41 315047.71 259628.07 256014.54 154931.14 177359.27 245727.06 180675.79 214092.12 219904.01 234202.03 230157.3 255049.66 310715.03 246453.79 230786.4 272716.75 249498.76 289547.5 263094.58 221092.12 225922.19 210803.61 182653.58 206368.48 185085.43 67809.37 168586.42 189927.21 150978.2 242180.34 210735.63 216045.04 187479.33 194327.52 172503.92 246971 250692.57 192263.97 194909.51 178162.91 189451.06 184186.9 185616.98 183526.89 193122.45 162751.71 227611.17 187777.46 178880.16 177519.55 187056.97 172064.26 144753.64 234163.81 222307.51 21676.92 9995.6 21493.3 15767.12 15634.6 21642.06 23745.44 19286.36 17776.92 628.89 16199.25 17972.25 18491.19 18562.38 10131.01 19186.47 11707.47 20812.02 24325.72 21470.28 25019.13 23579.48 7195.11 24026.68 20773.8 217327.6 208441.03 220085.88 220032.08 223974.49 216264.12 216720.78 216584.23 219940.62 6-{[(16S)-5,7-dihydroxy-8,8,10,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-methylidene-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 5866.23 12175.83 2383.49 629.12 6335.29 25393.25 1933.42 6140.36 1378.82 1215.86 1548.87 2172.07 2133.9 1892.69 14832.72 8636.71 464.69 1848.72 5201.27 12826.73 6757.83 6673.28 5884.15 777.43 921.04 22411.31 656.64 2215.1 3329.79 1019.08 4682.22 2156.86 11749.97 6258.5 1472.18 856.22 1449.14 22820.68 2218.44 436.96 3534.26 7021.78 1956.03 1674.56 840.21 1557.25 5406.32 484.83 1141.91 783.29 1546.31 11077.01 1143.25 2001.86 1092.06 22613.58 4426.76 1774.28 6136.13 14764.75 2317.97 5878.45 13351.08 2408.4 991.8 7434.13 25325.91 2371.84 2266.33 6881.38 13718.54 5213.3 2565.77 1711.87 2191.66 5286.48 4733.85 4320.34 4639.43 4727.07 3521.44 4574.77 4906.91 4933.61 2-Oxo-4-phosphonobutanoate 2026.13 1981.17 1287.24 1159.76 1357.88 1351.65 1899.08 1631.02 1574.56 2081.85 2040.58 1721.19 898.27 1957.43 1546.12 1781.59 1654.7 1827.99 1348.45 1444.37 1118.93 1060.9 1683.23 1919.64 1705.23 1811.29 1139.73 1435.44 1266.71 2401.2 1729.53 1495.01 929.28 2092.83 1916.36 1319.11 1838.94 2197.32 1750.25 2185.98 1002.65 1580.96 1835.06 1943.18 639.36 1153.59 1449.25 1577.24 751.33 860.74 958.54 1222.86 1223.2 890.62 1376.64 1747.15 2544.25 2000.05 1935.02 1885.54 2346.53 1866.43 1368.17 1791.93 1687.79 1259.66 1329.7 2056.82 1946 1317.76 1803.1 2390.27 888.17 1289.77 1511.46 1613.49 1617.72 1579.67 1614.37 1614.15 1617.62 1580.84 1516.53 1615.38 6-hydroxytryprostatin B 4150.65 4210.24 4240.22 4686.63 4461.29 4110.17 6089.08 6197.54 2897.45 4819.31 2913.88 3540.31 4510.89 4113.95 3540.35 2959.61 3329.82 684.8 2120.5 782.86 676.15 929.61 3544.53 3992.62 5161.19 3351.64 3770.84 4290.02 3081.7 2450.71 1794.97 4480.69 2647.71 4346.9 4579.79 5001.71 4136.1 3941.58 3946.42 3789.23 1258.65 3801.94 4805.89 3815.42 3230.58 3129.5 2060.8 4025.55 4480.99 3634.08 4351.05 3665.26 4235.12 5143.73 4484.48 4017.28 3367.73 3990.34 2798.39 3225.35 3667.84 4216.07 3775.73 3962.15 2188.82 4683.04 2005.86 3747.4 4472.06 2453.95 3434.26 4382.51 4670.69 3779.47 4166.52 3823.17 3841.69 3827.6 3811.28 3901.35 3850.62 4061.05 3781.3 3898.12 3,4,5-trihydroxy-6-(5-hydroxy-2-{7-hydroxy-3-[(6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-2-yl}phenoxy)oxane-2-carboxylic acid 895.46 1146.57 891.17 472.08 793.91 1794.76 16443.31 3171.91 3212.4 33991.28 700.75 796.55 54.1 674.42 54.1 32235.56 148159.53 12222.11 6258.48 54.45 15340.58 14716.92 503.19 54.1 54.1 3974 12400.26 7669.71 1016.1 816.09 16949.47 2141.9 44717.35 16680.23 6370.94 5860.26 3933.03 17838.18 3349.81 3603.74 14709.21 12411.02 4402.56 4561.06 10462.13 10918.08 40745.38 5466.47 5923.53 9648.06 9638.14 10640.38 3229.77 1407.49 2018.7 9440.97 76645.02 2559.69 81146 4024.96 6498.85 1900.41 10610.24 5214.67 3620.28 11961.97 14299.93 4801.86 8683.09 4296.22 2967.91 11886.36 3125 5290.1 3163.67 11558.86 7809.98 10827.29 9947.47 10449.28 10318.1 10737.66 10537.71 9800.22 Nomega-hydroxyarginine 12687.03 12515.7 15230.75 8181.37 9789 7932.64 5862.12 4395.08 12487.93 11444.79 934.72 4007.09 5470.37 9669.17 8770.6 7369.93 6983.75 6130.78 4832.34 6370.17 5389.6 3470.9 4205.77 10759.22 13023.06 12691.35 11518 12582.76 6582.28 10088.71 8006.36 10674.89 4890.83 7144.56 7051.44 14589.22 13371.92 4412.05 10703.72 11881.85 7338.12 8095.03 9145.23 8227.57 11473.28 5283.16 9066.79 8652.66 8321.26 7806.73 7786.7 9037.56 10811.16 7289.59 5427.95 10769.56 11392.11 10139.31 11250.26 6611.86 11307.98 9118.49 6533.96 6516.89 7269.18 8519.31 9632.46 10817.16 11765.19 11698.53 10899.97 10144.09 6519.3 5790.74 9191.23 9925.64 10484.65 9737.87 9656.71 9477.99 9914.55 9910.38 10307.47 9669.4 1-Eicosanoyl-glycero-3-phosphate 28166.51 23866.76 11070.93 20537.72 21671.92 13809.41 22421.98 26729.08 20601.12 21140.78 32834.65 30808.65 23885.88 38550.34 17911.87 34121.76 18186.99 14751.04 30558.43 16869.2 22688.64 20359.34 26355.37 38460.67 23332.92 17177.81 40972.8 38858.47 20484.56 42909.52 23934.55 44247.88 5057.25 23047.54 21878.13 14594.73 23859.16 15831.33 33232.54 39814.78 24481.88 25843.63 39729.91 29011 17662.8 35495.49 21030.18 38906.79 20106.59 45537.71 24992.34 24063.6 42626.58 50770.39 26844.54 16514.97 16266.55 18003.87 23376.78 11066.77 28490.77 38742.91 22692.32 33247.33 29306.52 26123.05 33353.37 31342.91 33363.96 22819.31 18501.14 24866.01 79999.16 13126.99 36121.63 26542.15 26732.03 26728.55 27368.01 26203.92 26253.41 25118.49 26214.92 26743.31 N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine 3742.3 5222.4 3951.48 11166.87 11789.4 283.61 62049.31 3147.72 2622.68 2902.44 2368.01 2997.94 36888.63 4924.67 4099.3 9425.42 5600.77 5272.33 6082.98 6618.02 4975.83 4139.85 3524.35 2290.88 2633.65 5562.4 6042.85 3478.21 5805.94 5134.29 5177.9 10985.7 4227.09 34546.4 8768.82 4912.53 4001.84 6146.79 3559.73 3574.51 9284.82 5466.46 5225.08 3156.56 8826.51 45332.76 3617.34 5197.54 5398.02 23026.54 4485.39 5564.11 4187.63 10040.4 2326.05 1136.91 3654.28 2425.17 3841.03 2691.46 3275.4 12442.87 1714.22 3253.67 2971.51 15330.94 6894.96 3295.65 2877.47 2726.02 3253.59 4449.48 2654.97 18030.85 88801 11744.98 11888.57 12478.38 11824.43 11888.1 11886.72 11863.64 11746.95 11617.32 Bacteriohopanetetrol-acetylglucosamine 4924.08 11793.01 40374.57 16126.43 1355.83 7455.41 12384.03 29505.81 26826.91 17660.88 1578.87 11343.39 6672.56 2169.74 14166.25 40460.97 16539.43 5827.26 34352.78 11010.14 22090.23 5575.26 25662.88 17381.53 30369.19 4250.83 13375.91 736.5 51767.25 17676.53 3328.85 21119.25 21467.51 27712.43 14267.12 42790.83 18261.4 4716.06 8540.33 3564.54 4996.7 15067.48 24736.55 612.27 8068.34 3679.14 23921.34 43556.04 67539.44 20919.65 15452.38 27545.96 17894.8 16282.08 35574.69 19011.22 25472.88 6533.73 26303.26 4200.38 15580.43 7221.5 27221.34 50212.23 21141 10716.01 4767.41 7859.71 2719.97 32494.42 15916.18 6908.04 15505.84 19961.39 14295.07 10393.48 864.5 1032.93 4174.84 6411.33 8382.43 9402.05 11615.3 11448.17 14322.26 12879.44 13547.18 14134.71 12226.41 10434.99 11268.58 13305.16 14243.07 12379.06 12172.21 14343.04 16933.69 16557.81 11523.11 11739.89 11945.77 11920.15 11722.77 11513.4 11930.3 11972.99 11515.5 Chivosazole B 10373.33 5733.73 10066.17 2486.13 2533.78 2731.74 3478.06 1870.17 464.15 1860.45 7930.92 391.36 2429.61 4322.25 3898.34 3303.23 3856.51 546.17 1063.14 11792.91 2274.82 3498.02 372.08 564.81 1474.7 4403.63 384.58 2021.4 400.6 3514.41 2340.71 2226.65 9195.94 4916.62 3396.78 6651.17 5383.73 5769.13 3342.94 3184.51 8984.63 6683.96 3650.94 3193.74 6352.11 5196.08 9597.1 5747.96 4409.23 8728.53 4700.8 4979.43 3268.81 3999.08 3785.27 3328.38 2462.94 1991.94 4288.35 4826.92 3584.06 3723.78 4075.33 4098.89 1706.22 4380.76 5914.51 2899.13 3357.23 5098.37 3735.18 4516 4080.12 4641.22 4300.98 6554.75 3159.21 1953.8 3653.37 7553.74 5763.27 1885.61 4695.19 5075.15 5167.88 5180.95 5626.47 10657.46 4769.1 4400.62 2308.87 3388.57 3104.71 5621.01 6104.6 5646.91 5738.04 5618.79 5738.48 5564.38 5868.7 5624.25 Germacra-1(10),4,11(13)-trien-12-oic acid 917.14 3684.64 2212.11 673.3 20337.69 1745.35 2045.3 4355.35 1223.41 3624.92 3019.95 1853.35 694.75 4513.11 1617.5 4999.23 2825.05 2540.69 1727.57 3250.29 4571.13 1933.71 1724.29 2747.06 3208.14 1049.88 1530.98 3067.77 3141.19 737.28 2434.91 5049.54 3545.35 1773.89 2411.45 3574.24 1171.91 3259.8 1986.47 8985.18 20715.12 1221.59 2718.6 2862.1 3095.91 3968.91 2695.17 1100.74 2527.35 1191.17 4787.35 3267.85 3726.85 1234.87 812.45 4204.46 7758.04 2333.12 2979.8 2992.71 543.32 3352.09 4532.54 2311.93 848.6 2684.97 2330.29 1798.96 800.61 5839.88 5306.63 5636.53 2341.13 2814.6 1029.7 1799.02 2694.46 2845.28 3163 2865.38 2706.82 2710.43 3364.46 2719.85 2-Amino-4-methylvaleric acid 8931.41 9877.24 8942.98 19120.16 31807.22 12083.53 13940.99 9568.26 20726.76 12323.68 6720.12 8682.62 12568.3 10123.84 20747.05 11129.44 11304.88 11120.21 8645.94 8105.34 7287.76 7820.68 7922.04 10740.29 19312.37 16326.06 16024 7792.26 21190.75 10261.87 6986.36 688.72 13145.97 8293.26 4749.01 8531.38 11454.07 7450.37 3049.19 14439.21 885.86 2979.39 24110.72 3049.51 5481.58 11492.07 10172.73 4265.66 6397.5 2214.81 16565.84 3782.86 5739.81 15044.9 13174.04 3926.22 9679.33 18166.35 7386.51 11111.3 3376.19 2354.12 13433.17 22140.73 11021 17594.16 2384.47 9678.63 3151.36 14468.94 16844.28 2022.4 7088.96 25079.44 5397.57 9179.98 9185.76 8769.88 9185.34 8844.41 9040.69 7036.7 9207.97 8841.73 Saringosterol 3-glucoside 6457.11 8592.69 5341.56 6600.73 8226.87 9975.8 6035.31 5544.17 6295.58 4333.45 5933.87 9392.54 17519.02 7229.86 9405.09 7141.17 5067.86 6643.81 5590.76 23866.16 7087.21 4755.09 5086.73 4672.45 4743.69 8509.54 4161.42 7696.98 12748.24 6352.6 13211.85 12066.2 7282.36 4601.64 8017.82 8385.07 4191.81 7819.57 2631.36 3449.63 14816.48 3694.44 8976.49 8200.15 11150.56 7205.29 6190.58 5571.48 19786.91 18454.36 22283.15 10865.92 7359.26 15060.29 8389.81 8322.65 1545.31 1060.02 2037.37 4413.91 3479.8 1721.2 7615.16 2059.56 9768.67 8337.54 13499.31 7746.36 10170.42 2987.22 4422.89 3453.63 11356.56 12073.09 9820.01 6783.08 7401.83 7546.45 6903.93 7438.47 6773.23 7331.49 7018.08 7287.83 corchorusoside C 3111.41 2075.99 740.04 526.92 3320.18 1935.43 790.77 11426.05 1595.56 1539.36 1843.12 1544.09 1133.95 4059.46 4455.46 4616.74 604.23 1410.62 572.74 1654 2382.1 687.22 1786.2 429.01 4159.45 4241.78 402.29 2076.74 833.74 4689.47 2539.44 2366.11 3729.71 2014.83 1786.79 6782.72 3889.94 1501.57 520.98 1650.24 2010.55 975.79 4798.3 821.17 6538.81 1893.71 3886.02 2527.66 1203.1 2887.26 4099.52 1264.7 1410.03 2014.95 5779.23 2238.17 1465.86 1078.97 2464.21 1332.48 971.94 1703.83 3674.81 630.26 2042.61 887.2 694.2 2308.61 2210.44 9252.1 1268.65 1400.03 5319.87 3122.11 440.49 2874.07 2770.49 3439.82 1855.29 3095.58 2856.27 3149.92 2832.22 3138.38 LPE(0:0/18:2) 13025.64 33601.36 3654.76 860.14 65981.4 33819.14 3223.69 24435.59 38516.65 614.93 853.79 2474.54 2442.29 5947.03 30737.39 1039 746.03 22227.13 1413.7 2545 16923.13 1977.24 6119.17 8435.47 3301.74 19048.81 993.09 6032.03 5251.3 700.11 15690.64 4051.88 30753 13269.92 874.74 12884.58 16741.94 28547.17 761.98 6943.6 9907.53 9211.23 6843.77 1683.29 28707.81 10855 20753 10561.82 4497.61 2249.32 23654.67 14998.26 6753.78 12977.23 28445.97 24567.43 4576.56 4958.55 29531.05 16378.8 1658 510.64 45104.81 9199.53 643.91 26007.6 48165.55 7584.27 3215.38 36081.06 53045.46 1805.29 840.19 6329.91 3216.56 10411.69 12162.74 12726.18 13143.92 12076.74 12375.51 12631.88 12124.59 13315.74 Norzolmitripan 1222.69 419.93 1776.41 826.41 1040.05 1581.03 1330.68 5210.33 5550.58 2015.58 668.14 846.13 1199.17 1083.05 2073.18 1370.02 911.18 1610.29 1387.05 2243.43 1301.28 1160.37 534.52 629.68 1289.78 1356.9 1026.75 372.54 339.69 375.9 847.83 1341.78 380.08 1336 708.35 1387.41 1871.29 951.34 642.64 723.19 1192.8 904.78 2203.34 730.18 1062.47 769.91 2219.06 1346.6 1264.83 2340.59 1089.87 933.57 1730.96 2456.87 1471.64 1427.86 663.51 721.78 1762.3 1087.93 386.51 665.74 1719.19 943.44 2002.26 1337.55 865.13 397.52 923.38 3478.46 592.22 985.78 493.93 1468.43 917.65 2001.91 1575.06 1646.45 1622.78 1757.17 1453.04 1738.14 1932.1 1430.88 Indolylmethylthiohydroximate 8025.12 12545.02 6183.96 11252.78 4238.5 41226.03 8129.54 732.06 8281.4 2049.85 5983.06 1870.9 1780.42 6186.06 9763.86 7173.89 2840.81 4524.06 4622.9 3624.13 1625.59 7275.61 5549.65 4257.35 7270.08 6279.95 7408.05 10440 10941.85 5696.54 1942.51 8583.91 8817.44 20170.59 10993.2 7855.56 7522.61 4866.21 5165.92 5886.04 8016.29 6539.62 8807.6 3322.6 9206.51 2474.21 7635.53 10228.61 6618.64 12012.41 5879.23 12802.03 5023.36 8354.63 5723.76 11556.64 4871.03 4950.42 5043.66 3465.32 3496.09 1810.32 3018.78 7035.28 2491.64 5117.89 1612.21 3820.99 5402.71 2936 6636.63 8703.87 2660.49 5960.41 2568.84 5973.03 5912.6 5513.09 5408.64 4787.76 5883.23 6011.08 5963.04 5743.97 Cartormin 229.47 220.59 359.75 1830.3 374.26 3238.29 242.86 1250.09 2240.64 12093.02 1189.55 2595.23 3045.03 3574.03 7359.62 3208.47 2354.28 7343.29 3716.29 10993.81 319.17 2692.18 362.48 1089.12 533.19 63835.95 993.94 448.92 5385.06 2342.22 475.54 492.47 2072.29 1765.54 1785.25 1895.96 1656.94 400.4 355.87 574.83 4401.27 8097.65 2184.15 377.19 5518.46 552.49 1413.62 695.63 924.53 685.74 3109.23 9950.68 1675.29 998.91 2332.69 12028.24 217.62 1423.56 1566.2 238.29 421.96 1101.03 3369.91 2137.96 2683.59 2182.4 20508.54 261.27 1799.99 289.21 2388.46 630.43 1791.71 627.73 509.29 3541.88 4324.18 4389.86 4474.14 4344.98 4465.6 4458.45 4552.22 4384.65 N-oleoyl phenylalanine 3743.35 1017.82 843.91 1282.35 11519.44 2022.62 2363 3683.75 2346.05 1413.5 2439.22 2907.19 1061.52 2774.23 890.69 2483.19 826.8 4897.2 6331.84 6954.84 5498.13 471.24 1846.99 963.79 2377.38 1617.19 883.57 1381.96 2320.39 1694.77 1649.11 9253.93 996.62 3058.4 1290.79 2600.74 2003.5 1739.1 870.46 463.75 4776.91 6971.19 1548.27 1482.36 3246.59 2221.8 5168.9 2512.24 2007.35 22822.84 4643.24 2119.66 1580.85 3915.32 2375.31 1953.44 1764.16 1537.44 3213.45 1233.46 1014.7 1925.12 2125.31 2319.89 1075.89 6042.62 4553.3 2473.98 1832.6 2894.8 1948.67 2316.85 1833.36 3173.21 2642.43 2925.5 3453.19 3371.91 3592.91 4088.45 3511.88 3369.83 3363.33 3377.39 Hydroxysintaxanthin 5,6-epoxide 86483.8 118492.85 19359.72 18008.64 85461.31 113628.68 32054.69 122500.74 95612.01 54918.31 15146.76 34471.94 37338.57 34445.57 94996.67 27825.68 23093.36 41779.82 48361.08 56862.47 147978.49 79460.55 16340.76 17866.32 83906.2 87204.01 22650.57 19593.47 61888.23 30913.99 49701.86 39759.67 63534.05 33596.31 17060.33 62670.55 96418.73 63799.52 17468.68 23273.02 42200.97 108958.45 19268.44 5808.75 41799.74 35422.08 53668.39 46569.01 28129.23 42177.82 63926.63 71750.21 22152.19 23559.77 79743.19 109356.86 21791.78 18469.19 86056.49 55160.87 5769.61 22571.29 67393.54 25299.54 28299.91 85772.92 130372.71 25376.67 29841.7 128497.18 87905.19 53165.35 18742.58 25358.08 31132.63 55661.23 55660.68 55190.27 54815.76 55663.6 55160.46 56034.24 55663.24 55179.47 dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose 3349.81 3002.04 4366.67 4840.36 3994.22 3298.1 6593.27 2754.18 4162.85 2598.45 651.1 3538.93 3104.49 3392.9 3924.66 4072.2 3060.05 3187.35 3140.63 3962.7 3864.25 526.82 2673.57 4102.45 4034.04 490.97 3441.33 3021.3 3733.83 1619.4 2994.72 3146.92 2363.82 4812.91 4260.22 3589.27 3438.21 5127.39 3880.19 4560.15 1128.25 1979.39 4668.03 2677.07 3085.75 5278.27 3209.45 3434.12 4160.13 3301.93 4680.84 4285.51 5076.36 5938.97 3739.28 2984.43 3829.84 4372.56 2830.28 6043.47 3091.25 2878.77 4586.44 5753.8 3784.39 3357.06 3834.86 2878.09 3250.46 5247.85 3930.6 3213.17 5518.34 5343.64 5513.4 3677.75 4366.07 4208.54 4137.6 4103.03 4209.61 4194.04 4018.06 4253.73 6-{[(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 879.02 1262.03 2464.43 3742.01 1509.93 870.96 2906.86 1529.32 993.31 1099.13 1287.91 1259.33 683.32 1673.93 1612.34 2368 2309.46 811.55 766.27 520.03 777.72 1152.44 1273.9 2794.64 766.09 955.7 2264.77 2421.1 1351.16 2056.98 662.53 832.04 1060.43 1406.81 2238.58 1392.88 1379.59 582.05 2607.93 1638.28 649.04 572.49 2630.02 2551.89 801.2 2913.46 789.91 3545.31 3517.18 3781.66 1457.87 980.48 2629.31 2949.76 1147.35 1070.33 898.1 940.75 828.69 592.15 1876.79 2638.62 855.28 1334.34 3174.05 1390.96 654.75 1079.48 1267.76 1595.59 793.69 1304.66 1113.17 2236.89 970.44 1260.8 1343.28 1535.05 1459.74 1446.69 1453.39 1481.07 1256.62 1267.93 Pyrimidine 5'-deoxynucleotide 2841.98 3407.99 1306.77 1585.62 552.67 3534.99 3931.32 3939.82 6333.39 3637.3 1216.55 5532.7 3058.42 3778.89 1068.73 3488.3 2577.37 6018.93 4283.11 7786.5 4064.72 2428.52 1185.86 1413.46 4001.53 5245.29 647.79 2004.28 4873.12 2410.07 8266.05 5357.58 4287.64 621.87 1454.81 5232.25 3629.69 1048.85 1097.31 1422.05 5701.89 5255.87 3456 3049.78 6014.17 2749.3 5518.01 4504.69 2591.04 5290.86 3258.08 3968.02 3206.22 1342.54 1700.41 3810.71 1703.25 1577.94 2854.91 2219.59 579.37 1090.16 3063.78 3090.98 3817.52 3258.87 4505.94 2262.88 3471.78 3434.75 4474.69 3517.79 1966.52 2629.76 608.23 3151.05 3260.94 3208.06 2731.9 3160.06 3354.28 3157.3 3215.29 3154.46 Clozapine glucuronide 119.11 110.86 202.79 504.85 356.9 19803.21 8705.23 465.57 135.44 4883.17 293.56 281.06 437.4 348.21 673.96 191.49 185.31 266.48 239.5 349.88 189.94 6113.52 355.11 589.77 285.28 14686.77 197.49 298.63 97.58 553.66 960.35 227.68 1800.63 196.19 546.18 359.87 94.63 15199.19 481.43 112.7 303.18 1268.82 382.12 292.52 287.03 118.98 209.97 82.91 393.8 576.92 312.32 558.27 187.68 211.58 325.63 238.39 2125.48 403.55 298.63 21274.46 489.87 361.35 384.39 576.64 231.12 201.54 375.96 83.39 107.13 309.91 253.3 4424.24 152.35 751.38 221.75 2300.07 2441.11 2299.27 2309.65 1632.27 2282.46 2122.97 2268.84 2011.69 PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1190.85 306.76 1428.86 1390.02 296.58 1537.04 8844.41 878.49 998 1040.91 773.87 509.19 2218.02 750.48 1170.42 1990.66 1259.4 402.62 877.22 1177.03 739.1 3399.16 1821.11 220.52 1251.26 178.04 1035.31 427.89 241.66 1042.82 923.9 478.96 1267.13 1810.75 3942.61 1017.8 572.43 849.16 142.53 1502.36 10692.12 4504.79 1611.19 5434.54 216.33 6969.23 900.08 975.96 2035.59 3199.76 2303.2 1529.01 1099.24 5306.71 8681.07 2348.28 5446.01 1368.27 956.14 5938.97 1927.28 942.23 3364.93 3930.05 922.43 5167.43 2075.37 2637.13 1188.44 996.7 605.97 338.71 1899.45 2472.75 1246.63 5466.28 5459.36 5451.68 5325.69 5409.03 5228.32 5361.46 5456.28 5352.65 Leptophos 17863.07 18883.5 15262.99 17272.38 12356.15 6072.45 18121.97 8201.82 19630.48 21629.49 19402.96 19402.52 12689.8 20644.05 21190.81 7054.31 21892.07 19034.99 21176.43 19972.31 17759.7 17947.23 12056.44 8155.98 17511.05 17634.47 21284.74 18548.33 21181.15 19404.3 1054.54 16516.31 18284.96 17999.85 19106.5 18519.84 6307.52 15635.46 19572.68 22313.66 18260.54 20240.75 14772.41 18603.39 15921.09 9232.22 20387.54 18492.17 18802.07 17161.1 19541.72 20067.37 15624.37 19966.41 18599.37 11594.35 16295.75 18478.87 15839.26 17465.04 19109.66 19143.59 21077.55 21214.91 21220.3 20246.71 16857.41 19802.87 20047.84 19299.63 20210.56 18865.29 7784.08 6834.94 17451.46 13286.97 14985.29 14389.59 14027.93 14777.09 14742.27 14571.11 14227.35 13730.86 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol 6058.85 5452.99 2938.99 3732.88 10480.4 14100.65 6912.26 2135.56 3144.45 2692.72 2345.29 5190.31 9581.57 7304.12 5106.17 5553.92 2976.93 4318.31 3474.55 902.73 566.44 3162.53 2154.46 3563.16 3494.61 2907.3 481.4 505.86 3353.78 433.24 3061.36 5549.88 3625.28 3264.89 3189.78 2650.6 4159.39 2305.85 4174.96 3334.91 5633.48 10994.83 3670.53 3942.28 3703.22 4015.15 3440.17 3751.22 2800.17 11184.14 3980.47 7090.03 3465.8 6118.56 5829.57 5165.94 3255.39 2696.53 1447.49 3725.64 4416.62 4459.93 6612.13 3107.48 1388.22 7870.26 3785.93 6023.96 6278.86 3004.86 2207.35 2196.22 2606.15 4380.7 5674.89 4471.6 4518.25 4471.19 4496.63 4471.96 4505.63 4470.68 4486.38 4336.23 (3R,5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 1794.11 3736.35 2963.67 3339.28 5043.81 6044.96 4720.45 4405.72 4721.51 3798.32 2751.49 1839.96 2941.38 3802.06 4219.34 4307.86 3363.13 3647.43 4701.25 4789.65 4607.39 3178.81 3174.63 3319.04 2642.96 4739.59 4237.52 3206.39 4685.2 3795.42 4299.42 4678.96 2769.78 3111.79 3342.38 2583.61 4875.36 4306.73 4046.29 3566.18 5753.57 4937.66 3004.69 2892.73 1924.18 4863.64 4571.22 1653.02 718.16 3326.03 3318.72 5049.36 4019.64 3696.16 4260.05 4180.96 4054.92 3958.25 4217.54 4308.38 4053.12 3899.46 4703.3 3371.53 2304.44 1783.04 5456.98 3285.72 3407.5 3257.45 5199.48 5404.17 3291.07 1684.79 3999.86 4581.05 4967.72 4791.04 4975.32 4923.87 5205.99 4816.85 4822.82 4977.58 5-Chloro-6-methoxy-2-benzoxazolinone 473.54 3663.69 5157.31 5274.15 1249.39 3264.22 1283.93 681.13 910.6 3215.69 443.4 305.29 2322.85 475.42 422.25 1512.04 1351.77 1465.68 547.73 818.97 860.38 9653.57 1872.83 1430.85 713.72 551.75 1315.13 355.43 821.66 404.46 487.84 699.79 1372.05 6926.1 2349.33 550.11 592.17 593.59 547.42 624.9 294.14 370.6 985.73 615.59 375.93 1393.31 599.6 388.9 937.96 456.03 333.39 6872.63 1063.62 1315.36 708.73 2043.35 3435.8 3847.34 498.72 3133.51 2174.42 7518.15 600.58 967.45 708.75 851.43 525.37 1300.1 560.32 310.2 563.31 4903.7 631.25 2218.37 676.74 1780.02 1614.76 1756.46 1622.06 1609.79 1584.49 1655.59 1653.88 1512.77 1-tetradecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoethanolamine 875.76 1370.15 783.96 2944.03 955.22 1870.85 1000.98 2602.63 1146.68 2726.11 581.73 389.46 2096.25 614.29 1853.25 2449.48 336.25 993.18 1682.49 3004.75 2272.56 797.33 526.86 1042.32 1144.04 710.32 1305.02 1708.81 329.29 531.08 1802.6 2877.12 1363.49 544.99 1180.32 293.44 289.78 1237.8 1234.58 761.51 1692.52 1265.18 831.16 830.34 1001.94 1995.26 554.11 3961.11 105641.03 2627.88 5218.69 1046.33 2533.82 5342.48 1226.46 783.94 572.94 2399.26 1271.64 407.85 1004.78 989.67 3020.42 1600.41 1968.97 1188.51 1375.28 2254.64 2114.46 1835.1 416.15 942.99 28795.7 116812.8 11512.69 2998.31 2757.58 2812.53 2788.05 3082.86 2683.91 2999.63 2035.28 3051.25 (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid 1727.78 1941.74 1069.54 1818.28 2531.59 1623.03 2331.15 1888.66 760.14 643.08 1559.66 1561.04 1844.71 1467.99 1852.81 1074.62 2116.75 2175.1 2824.84 1162.36 1733.32 1097.54 1291.33 955.29 1956.69 2237.1 997.09 1339.67 1179.73 3035.1 2036.55 2674.95 1610.71 2059.17 1767.74 2379.56 2547.18 912.91 1901.84 1576.96 1703.47 2690.5 1813.28 1998.71 2479.76 1059.8 1327.83 2614.57 1506.6 1820.68 1322.36 2131.34 1628.16 1981 2424.23 2175.59 2235.12 2764.49 2661.5 1968.26 1789.68 1486.68 1893.64 2251.57 2637.72 1708.74 2474.54 1460.12 3115.92 1989.61 1949.28 2519.01 3502.56 2082.84 2096.96 2361.68 2255.53 2463.99 2704.3 2315.61 2484.77 2375.37 2267.35 2722.26 4,6-Tricosanedione 5666.54 7609.93 3603.28 5682.31 6294.7 12216.47 12608.67 5620.76 6348.92 6107.28 5866.75 10075.95 9770.51 8933.03 9861.17 7554.54 6105.17 5883.64 7833.42 8533.8 5033.57 9366.13 5388.56 7347.18 4803.62 5919.16 8930.49 8405.97 7384.3 10378.41 5281 8505.32 3070.56 7135.63 7247.11 5365.93 5819.56 6402.2 7291.76 7933.61 16388.27 8958.96 7771.48 7537.31 6667.03 7826.14 8594.97 9971.77 2691.67 9236.38 4919.2 5141.07 7407.56 9056.82 5559.09 6892.93 3774.07 5100.28 5147.63 19124.17 8163.55 8190.88 5280.67 5717.62 5634.14 6683.82 10310.66 7723.16 9032.65 7193.21 5426.45 8360.72 5948.18 5243.75 9165.71 8629.24 8406.24 8406.87 8405.85 8460.55 8470.43 8385.45 8460.71 8373.18 Limocitrol 3-glucoside 4706.06 2565.25 18238.67 16366.9 10455.09 13219.25 15991.41 10915.48 8409.51 12775.92 17099.69 15614.64 9926.96 13418.9 2331.61 19885.91 14035.12 7257.1 20246.12 4136.43 4266.15 8950.01 9938.84 28552.6 3377.08 28030.43 21198.92 23355.74 11072.08 15138.5 5556.51 27903.06 2184.96 20002.83 28171.04 3581.98 6236 9369.79 17470.94 17443.13 9990.52 4719.21 27200.7 13849.99 11095.75 3436.11 5034.72 8357.9 16907.82 26381.22 8601.58 19613.73 15213.65 17283.45 2267.73 5298.47 10771.94 12150.8 3251.64 6301.9 13917.23 12594.89 8676.24 12764.05 4710.94 3965.67 10556.61 13525.45 20513.45 4251.74 8033.13 7039.83 14457.17 17777.19 17146.44 8592.75 6876.38 8396.15 7677.64 7554.27 8781.59 8198.75 7894.96 8982.77 Jadomycin B 9675.25 15536.48 3181.44 5169.74 39693.11 24728.16 11656.93 34851.6 31433.6 21369.64 19022.76 28100.07 17283.64 13810.31 23786.1 41532.71 19949.94 33311.73 37553.41 16013.5 30784.26 14101.75 4536.06 12156.84 24165.42 31799.46 14524.94 10237.59 34040.01 1145.63 33985.89 74528.05 23572.42 9114.9 16211.66 25277.86 21265.22 16138.08 6471.25 9178.25 18759.45 38009.64 16505.69 9058.8 45408.1 12653.11 11540.65 10732.39 24772.82 42188.31 22195.69 13433.99 13624.53 16821.18 27870.6 15238.23 5585.38 7205.23 36660.18 15892.89 17089.88 7966.11 25335.19 21668.65 17821.28 27491.56 22596.33 19140.27 18017.27 21229.84 15259.65 28319.91 24446.21 13364.78 20238.83 23394.61 22787.42 23416.75 23013.75 22771.96 23288.71 22796.15 20038.34 24192.01 Ginsenoyne M 11331.72 16979.85 1194.86 7026.44 16606.96 29073.25 962.42 12225.59 15182.42 1437.17 7534.27 28887.44 1965.45 15891.59 12836.31 17263.79 1090.59 35814.77 19322.53 50864.98 29570.41 2557.44 2616.06 11747.16 17827.95 21533.51 3425.51 3676.1 43586.03 26154.82 39002.39 35211.36 2168.75 20433.12 9248.64 19407.61 4074.94 15194.2 9315.02 6975.07 29430.3 24643.03 14110.66 5539.2 37573.81 5097.88 27963.12 22363.51 20236.05 32089.06 19490.8 21920.81 16560.42 22089.17 12469.13 16998.29 1713.81 2689.42 5236.8 2491.06 1296.48 3140.83 14029.67 11729.48 5481.54 23931.4 55897.42 4754.98 3798.32 10555.43 15112.51 4558.31 11687.69 8768.06 12157.45 16175.16 16162.46 16298.05 16462.65 16431.4 16581.73 16212.04 16555.89 16556.26 PE(14:1(9Z)/22:2(13Z,16Z)) 642.03 285.38 365.98 1273.7 166.8 980.44 7080.53 650.02 327.36 79.39 77.33 660.68 503 278.36 658.47 200.1 505.18 237.09 734.22 612.22 486.5 451.64 120.77 308.4 535.14 414.81 215.04 296.58 373.32 454.09 532.77 743.96 75.46 918.87 515.02 177.67 566.31 295.92 97.27 544.53 3715.41 3189.57 265.67 120.95 195.63 5901.97 74.41 161.84 956.4 786.29 653.18 548.29 364.98 1680.28 7929.66 425.23 149.48 658.34 346.58 1454.91 167.8 382.61 1966.7 410.1 617.08 2662.91 998.87 274.48 311.6 786.6 575.11 265.08 327.54 679.9 2452.58 4317.7 4277.31 4284.96 4276.09 4276.54 4353.58 4276.31 4316.54 4277.81 (3S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 501.62 821.86 1823.75 1493.54 1133.44 166.99 866.85 438.04 208.84 557.41 197.44 212.12 411.41 505.36 376.62 1417.14 656.23 349.59 406.93 303.12 185.47 306.86 216.73 961.18 281.47 289.49 778.05 241.82 323.25 161.36 214.01 411.8 384.95 586.04 1939.14 564.2 509.53 245.69 500.46 202.9 2678.52 4080.6 174.07 929.26 161.53 18820.16 272.07 595.31 304.27 462.13 194.28 180.08 263.62 966.89 168.49 820.68 2558.72 1792.08 721.56 1721.41 186.02 1149.14 641.2 192.57 486.21 2377.37 328.38 169.02 212.29 313.6 215.52 1139.41 782.75 2912.21 1592.37 1591.14 1393.85 1523.92 1573.94 1577.11 1534.78 1530.09 1596.57 1743.42 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate 7990.4 1893.68 5215.72 42455.59 28459.74 15486.98 30635.78 40828.61 23069.67 25231.51 50788.46 62450.42 59370.35 57789.52 11171.96 62020.92 30551.63 27460.09 61116.87 26527.15 42045.59 2012.07 50148.46 63511.95 32623.69 3209.28 1693.21 60234.69 45409.55 29669.91 8369.34 78347.16 27987.98 42574.79 48789.79 28085.66 41481.58 31364.49 51181.46 49034.37 17177.79 40511.6 62454.61 35835.15 25557.24 65915.27 31448.96 70133.35 58881.71 82590.73 48428.54 36045.92 63509.11 81873.48 37328.53 29579.31 26257.46 28095.43 22256.72 18410.88 34506.11 39444.57 24289.15 63307.8 57207.18 50020.12 30902.7 41611.08 52698.45 38779.58 28509.84 29579.54 85824.58 59824.87 59648.99 11872.29 35366.41 33465.07 35361.38 35489.17 33374.57 35390.84 28994.82 35742.02 1D-1-O-(indol-3-yl)acetyl-myo-inositol 4180.26 3228.11 1653.75 2254.2 2267.43 408.02 1786.72 3156.47 17281.44 2136.2 1995.16 1876.41 653.89 394.88 620.75 3973.43 5593.67 1712.99 1883.93 19804.29 5086.47 2793.77 1233.05 1937.16 2156.59 1517.88 2103.42 1932.64 3360.78 439.7 437.16 2337.18 497.58 3015.72 991.08 1724.41 5429.04 2767.27 1259.36 2853.03 2120.46 17983.64 2031.28 1217.86 3144.2 1015.39 2360.17 626.03 2713.69 2918.16 10354 3229.02 1232.32 2094.54 7051.81 3729.83 2036.99 2647.03 917.4 1876.17 2514.25 2364.86 3504.33 2191.85 1520.98 6502.2 6612.57 1878.78 2534.79 8553.55 9130.61 2078.44 8227.79 1484.9 1331.71 3485.5 3684.31 2763.6 3708.03 3370.2 3514.07 4154.79 3406.35 3663.89 12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6,11-dihydroxy-2-(hydroxymethyl)-2,5-dimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one 23281.57 447.2 3013.88 2573.57 30943.05 7208.01 1192.49 60622.28 39588.06 1354.85 5664.74 17016.3 4553.25 6038.92 15104.37 13508.65 6802.18 22853.35 14897.54 23767.62 23470.2 2644.23 7897.61 3557.27 33500.61 15743.06 1018.81 17562.71 38501 28887.21 35157.35 28672.49 9023.99 1066.91 1489.87 38044.43 29276.43 1967.49 7217.27 6566.01 16913.04 42546.53 1235.83 6977.51 51091.11 8394.1 39496.51 10388.4 52573.45 33877.85 40905.31 1704.02 1488.3 7344.1 23009.74 874.9 1168.9 2283.64 27078.58 3493.59 3711.96 3057.52 888.47 2900.71 3621.02 28228.06 3877.81 13224.22 17596.58 22356.91 22153.83 4330.26 27929.31 4517.7 9051.35 21819.67 21086.83 21032.37 21040.2 21262.89 21268.27 21030.96 21267.25 21032.45 Carnitine C11:0 2994.96 3878.83 4267.7 5982.78 4198.89 11852.4 6629.03 4519.76 1927.41 1878.44 3051.74 4473.83 7040.73 2631.14 3640.66 7088.38 4025.34 4946.18 7650.56 9863.74 2949.67 372.28 3662.89 4910.02 2788.83 5362.77 2852.45 2220.78 6870.18 1228.59 4429.05 7352.32 681.72 5204.56 4494.94 3402.36 3392.28 4507.96 3022.13 3879.24 5248.09 6402.59 5049 4208.84 5109.1 6007.42 5759.74 7733 3216.43 9179.9 4226.56 3782.5 4219.47 5934.54 1668.55 4495.98 2838.86 3192.79 4026.2 3965.52 3181.75 2906.59 3499.85 4852.06 3637.36 4866.91 10160.67 3251.01 3180.47 2874.4 1933.76 2484.44 4248.59 5907.4 8070.58 8805.18 8374.96 8562.44 9037.09 8492.3 8556.46 7543.99 11575.68 9626.25 N-Palmitoyl GABA 5012.63 12255.44 3042.94 5597.19 1388.09 6015.76 2472.84 3990.38 3801.86 3965.14 3390.52 3970.78 1931.11 1652.29 23036.84 1578.08 6714.17 9668.67 7137.66 6802.61 2549.13 9870.58 2274.73 5803.55 2495.4 3994.85 2592.69 2150.25 3770.64 5271.51 1672.48 6570.63 4351.84 4521.45 4843.88 1592.73 2130.51 5008.66 2068.68 15222.99 1644.53 5300.12 6575.55 7697.45 1913.57 4060.94 2213.32 10156.37 3176.69 1208.91 740.5 1167.93 2762.46 3177.05 3003.08 7596.82 10170.44 13332.47 1326.69 16695.71 6181.48 15949.23 5303.83 2447 9845.36 10255.03 11614.39 4046.36 7931.74 4317.45 6183.68 7361.94 2865.27 5923.65 6994.38 3581.25 4016.56 3601.97 4020.98 3690.57 3876.78 3850.18 2063.48 3783.18 Hydroxyhomodestruxin B 1917.89 1738.92 351.06 602.13 10267.75 1884.65 4819.61 9671.12 3310.79 10717.44 1996.52 1828.23 941.14 1339.59 628.53 396.35 314.59 556.92 2944.87 2421.25 442.52 1504.4 1680.91 1708.32 946.88 3337.58 2173.96 1905.35 5703.17 750.66 562.74 3823.95 360.14 3139.76 992.98 3306.51 4481.76 10262.95 2307.79 1614.21 2849.92 1782.11 894.64 709.44 2007.04 2710.42 1740.4 1138.69 5803.84 1807.11 1608.09 2438.89 499.28 858.62 1734.7 490.32 340.21 1284.02 3636.55 1980.59 1024.76 4679.06 2676.9 2007.02 1643.29 3006.64 1992.94 660.66 2190.65 9135.2 3277.31 10230.03 311.6 314.37 821.61 9986.92 13786.3 10053.31 7980.07 12517.59 9571.44 9600.58 9359.81 9148.58 6970.91 8415.54 10911.62 11401.92 9201.62 10826.34 4189.36 8030.28 11313.08 10707.45 9322.65 7824.94 10642.55 8822.94 10869.31 11707.61 3222.18 3103.17 2985.17 3254.29 3097.32 3602.94 2572.72 3428.69 3082.58 Thienodihydropyridinium 8553.89 8025.03 8157.07 7212.13 4576.67 6914.96 11991.16 3946.4 6640.64 4607.34 7666.47 7693.05 8073.2 9133.49 10918.27 10587.03 7607.92 11467.87 5603.18 7807.18 8643.29 516.98 5019.33 7323.23 8250.08 4746.36 7228.3 5073.89 5298.75 677.42 8860.31 3170.54 4111.45 6106.39 6237.75 5699.08 4933.7 2246.7 8870.97 9109.81 4020.46 2716.31 4794.07 8327.59 5956.05 9548.8 11663.42 9056.86 1976.34 5253.77 5126.71 9022.5 5630.37 9114.64 6017.63 10550.89 12718.29 7269.6 8607.41 9403.52 8774.42 11106.63 10309.98 10921.52 7025.09 13905.22 4971.43 6223.59 6640.62 11217.08 8334.72 5886.71 8663.98 8209.75 14581.51 8039.96 7681.6 7845.12 7963.51 7836.78 8051.84 8060.55 7815.57 8187.19 5-Oxoavermectin''1a'' aglycone 50023.02 67904.05 3926.87 37159.25 74038.58 91887.74 39106.71 114059.02 160399.6 55428.56 44547.84 46754.48 37939.88 48041.28 53564.04 554.98 25783.88 82002.74 57754.61 105853.88 87592.79 55576.96 46552.78 42351.97 83722.25 117661.93 40846.54 52619.06 78710.58 69880.74 117148.85 4421.92 65051.98 69926.64 44751.31 114039.17 70566.95 99051.6 51575.96 35838.27 91334.22 78665.45 62006.07 37214.6 129467.37 58403.63 96300.85 53403.43 54713.54 60860.86 56999.35 43821.95 50580.48 55566.72 50888.52 53181.92 8164.59 17552.58 85328.18 59163.4 28815.32 7083.36 56280.01 68431.17 56558.26 50162.42 62466.39 39782.76 64594.35 71411.08 120887.94 55660.37 40610.15 44339.5 51858.06 65460.07 64912.33 65456.72 66268.88 65095.15 63624.55 65453.5 65458.21 65080.66 (Z)-2-hydroxy-3-aminoperacrylic acid 6977.88 5970.75 5104.02 8738.18 1772.59 8541.46 5670.08 6372.49 7143.21 5875.17 4520.32 5751.88 5008.94 5853.39 5642.65 773.59 6144.2 6337.02 8151.25 4942.2 8510.51 5097.35 3440.4 3206.8 5595.63 4225.8 5782.63 3920.43 1257.69 7206.7 4930.69 6326.71 4232.84 5111.92 5391.92 4112.71 9377.22 7440.21 4324.99 6314.46 10331.07 6976.55 5215.99 7034.6 4188.23 8188.73 6817.81 4799.7 5378.06 6945.9 6865.85 5500.56 5037.8 4647.47 10800.23 6678.98 5131.76 6066.63 3565.48 4165.91 4504.38 6155.34 4496.11 6911.01 5119.04 10179.8 5545.05 7226.26 7607.32 7249.55 6062.46 8810.54 7553.28 7706.79 6281.13 5784.42 5884.97 5786.95 5931.94 5657.19 5844.47 5787.09 5873.04 5769.55 beta-Casomorphin(1-6) 1779.34 3387.84 886.18 1891.66 644.55 2489.98 659.5 3131.82 4336.6 5792.9 3480.38 2481.35 519.1 1644.37 5395.44 3047.01 1294.85 4346.95 963.19 4861.02 926.71 7877.33 2419.82 7516.06 1972.33 4943.84 2746.45 971.11 2025.68 2075.2 2648.26 3201.29 1703.29 7984.53 6474.98 1115.59 2169.99 10619.51 3745.36 3889.5 1423.97 5988.59 4969.45 6483.75 3275.08 4053.97 1956.5 4737.63 808.25 931.61 548.94 8966.8 6613.62 4318.82 2210.5 6719 5582.39 5840.89 3118.79 9222.29 7144.89 3824.21 927.14 7828.1 3283.51 2195.44 6231.9 3667.19 3553.32 1976.88 4595.89 12298.9 3233.17 9374.35 6942.03 3557.75 3675.07 3901.81 4437.78 3903.84 3579.69 3907.63 3777.71 3073.93 [(2R)-2-(17-methyloctadecanoyloxy)-3-phosphonooxypropyl] 19-methylicosanoate 935.97 9114.22 1150.04 478.85 489.48 1640.86 3256.84 2536.01 1037.04 1040.71 1304.08 811.1 785.27 270.47 680.29 1348.29 1335.14 659.74 944.37 1281.29 1143.92 1447.98 925.2 864.1 644.31 606.2 2227.28 1178.19 625.13 1454.99 2462.12 1614.29 492.4 5609.3 2450.45 1014.74 1213.07 968.06 963.32 478.65 185.94 2815.32 6215.81 690.03 711.18 1757.51 3948.93 7648.84 3296.7 3307.52 311.16 2216.63 3690.84 3480.57 462.19 1658.01 3910.67 2728.66 644.6 4633.08 2731.73 709.16 2070.1 3983.3 1430.37 1587.58 2415.31 3108.1 1272.34 2087.08 1711.73 8832.9 3245.79 3525.35 7737.46 3685.72 4497.36 4241.64 4477.64 4226.38 4488.36 4386.41 5351.8 4411.78 [(2R)-2-decanoyloxy-3-phosphonooxypropyl] 22-methyltetracosanoate 815.48 2487.52 1938.35 5442 9407.75 2453.82 5530.3 778.66 1056.84 1583.71 1686.78 1837.56 643.41 765.38 719.55 5448.4 3458.07 987.63 1802.2 664.52 2028.97 334.21 1383.18 1133.46 401.12 769.38 1269.23 1069.03 1590.33 508.79 1705.38 1665.11 1039.44 12653.46 4672.94 1084.74 454.83 565.47 1121.77 520.92 791.28 690.05 1762.76 2211.27 299.29 1314.95 577.86 694.81 372.65 2920.12 577.62 1370.8 2021.31 2423.52 652.41 1672.12 3403.9 2619.69 861.07 689.18 1187.11 2594.03 1534.72 4581.98 391.83 1045.15 1405.87 1178.32 528.64 363.08 1660.53 2631.93 2278.8 1343.05 3791.06 1995.68 2179.2 2500.04 2514.43 2525.34 2694.17 2405.75 2561.11 2531.72 Momordicoside D 840.44 745.65 490.67 2882.46 1709.33 2245.66 2845.64 1849.21 2073.99 1848.38 473.97 1276.43 3951.17 1059.26 477.13 921.5 1214.6 527.42 1722.09 891.21 1928.72 414.13 1210.02 416.77 1166.3 3434.4 3733.09 383.78 756.61 528.32 3010.6 1064.31 1403.09 4742.33 4124.17 3368.02 4503.4 5649.57 4089.67 3978.24 4966.31 3330.73 4998.32 5036.52 2090.17 5482.88 2507.56 4092.6 11018.68 6761.1 3447.49 7733.01 6187.05 2457.68 6979.4 2115.24 3294.12 3877.49 2066.31 1945.52 1114 3708.48 1143.34 1947.77 3687.12 825.69 1711.73 2003.11 2949.94 1279.86 1413.46 1539.98 9193.18 36654.87 17225.03 3510.41 3302.11 3508.4 3344.31 3039.99 3209.03 2954.03 3697.17 3455.08 1-pentadecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphoethanolamine 6566 7885.19 2503.36 3233.47 2322.85 5025.47 5348.42 9179.71 7668.15 7457.33 8446.79 8297.59 1684.04 5930.33 4512.9 3934.11 8604.38 2260.26 11406.26 3845.87 8167.38 4676.87 6141.1 6041.93 3626.92 5922.42 6474.76 4333.15 2660.91 3880.87 4865.64 12575.38 5040.48 1326.42 4789.34 1554.85 4405.08 3265.31 1020.43 2241.98 12969.54 7765.92 937.07 2940.4 1385.7 7026.14 958.3 1856.29 8414.02 5201.59 1721.44 4706.01 2523.2 4090.77 8312.22 1130.44 5179.33 2072.87 3308.93 2502.55 1758.4 2504.32 5644.2 3063.43 1133.08 5115.76 735.7 902.61 1886.57 5196.74 796.33 2392.71 14139.84 9431.96 1277.84 9617.17 9395.1 9738.55 9360.08 9726.86 9776.62 10448.19 9508.74 9242.24 Periandrin V 827.98 1091.3 338.5 299.55 2472.82 4154.58 267.42 12516.38 2672.33 874.55 678.88 5465.98 1158.32 543.92 541.31 259.23 543.38 1269.67 975.49 1791.71 1779.47 1280.4 1013.35 343.73 2356.13 1319.53 1381.04 462.98 1328.54 349.38 547.26 3588.51 2449.93 4349.09 4394.2 13579.44 11211.53 3528.54 3034.98 1806.9 3725.53 17544.07 4975.19 4202.32 19894.47 2442.68 5493.92 5442.39 17413.52 12734.78 11266.59 8660.43 3802.4 1266.24 12200.81 6450.55 854.55 4145.42 25498.09 2317.5 4969.65 2460.65 11353.58 4525.04 3001.81 10779.14 4636 3132.67 5958.64 11268.64 1430.43 7724.95 13875.61 1042.67 1334.09 7211.69 7306.06 6598.16 7152.06 7331.16 7080.03 7319.61 7642.53 7330.12 cis-Dihomoaconitic acid 17865.09 18054.63 17277.97 20124.14 18834.12 15994.25 4856.93 8911.13 10795.71 8919.41 9477.73 10670.74 11765.62 13445.09 12385.21 14162.58 15230.64 13284.4 13197.02 14690.99 13893.18 11757.82 10283.35 15026.94 16574.34 16500.82 15335.04 16962.04 15868.7 16751.77 15966.58 18026.2 11790.26 14534.39 19553.67 13721.34 16229.61 15658.13 16632.96 15816.17 14724.67 15584.41 13879.9 13991.68 14197.73 13542.42 16634.16 14659.19 13302.29 13712.75 14006.05 13974.54 15023.25 14039.29 12767.26 12396.3 14275.94 14015.7 15029.33 13720.85 2010.97 16943.29 15643.38 14683.55 18773.65 17271.65 14080.69 13669.86 13530.42 13641.87 14684.75 14986.79 5026.44 12642.43 16336.09 32366.92 31982.74 34891.47 33462.74 32064.41 34148.48 34775.4 32334.86 35483.21 34485.75 50436.57 35383.97 34940.38 31194.08 48970.62 28509.79 42494.76 35472.31 22700.99 35159.71 35461.79 35776.0 34077.38 43465.43 33028.13 15261.69 15387.93 15885.52 15319.75 15418.13 15555.95 14645.03 15582.08 15270.15 4alpha-Hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol 15191.72 37995.14 56598.84 72155.7 57452.61 140268.95 5811.27 55284.16 44181.96 953.19 24183.41 69442.34 53116.66 129522.49 88301.07 89617.5 122717.15 161929.46 98846.56 115307.47 113643.6 45624.78 58028.03 73516.77 18440.71 89536.47 106393.25 52346.09 89321.98 133668.3 219888.02 161235.68 55630.14 179448.36 67096.2 74933.34 84929.39 87279.6 90811.73 108149.06 130213.75 91246.9 150250.37 98722.58 119917.16 89769.98 131674.58 147991.03 138257.88 147077.79 25104.39 115841.01 118736.79 66660.8 160135.84 257435.3 58701.04 70984 74614.41 96879.07 5585.29 73863.74 74966.52 9726.81 67081.04 77262.22 139194.49 53684.65 200075.37 68792.92 45175.66 66006.27 40635.7 124545.73 68777.31 118339.27 111888.72 120093.51 118186.51 109259.48 110222.51 118300.59 116120.93 109398.56 N-methyl-beta-alanine 7306.75 4210.2 6128.21 4612.24 7734.66 5317.93 2028.12 3603.57 4809.43 5980.6 843.53 5781.65 5611.1 6703.59 4385.61 6306.46 4366.65 7672.97 6945.42 3785.95 2604.67 4273.78 6775.82 5548.03 4885.29 6745.47 6373.65 2374.94 5617.78 5955.87 2084.61 7644.5 2967.71 6239.82 5712.01 7356.71 5179.09 3526.88 7755.13 3475.92 4716.78 4534.46 3035.13 7454.85 6805.5 3235.27 5430.25 5808.6 4688.79 5419.94 3433.85 3985.05 5826.81 5118.08 920.29 7365.22 8692.4 3180.71 6740.49 4865.76 5012.58 4700.59 6224.28 3645.57 5879.3 3951.4 6783.43 9113.26 5031.02 5246.18 5034.28 5441.72 4979.82 3527.69 7401.73 5947.67 5944.47 5814.98 5809.72 5940.81 5957.49 5840.48 5819 5811.49 Ecdysone palmitate 2272.43 1589.02 280.35 1719.88 1913.4 3362.33 3966.32 1846.28 1209.17 1334.85 2396.17 373.39 1604.5 1753.62 516.89 1503.18 2861.04 422.9 3047.65 494.13 598.46 1041 2181.72 2430.55 302.86 1272.31 854.52 1734.94 417.61 3305.44 307.36 1427.92 3407.81 4237.75 1838.34 329.47 519.37 932.05 2195.47 2168.54 4408.45 5940.07 344.99 2522.52 1052.84 62873.54 766.05 740.4 741.96 1972.82 1168.54 5090.72 1719.28 1838.01 2869.85 799.73 1674.03 537.18 313.02 3708.39 1140.92 573.1 1484.66 2330.15 416.24 4209.14 1385.54 1749.24 1618.53 387.98 600.45 515.12 288.76 5971.75 1631.99 3271.22 3411.47 3382.17 3048.84 3757.06 3249.2 3412.6 2992.66 3408.36 ISOPRENE 5843.7 8935.41 3761.47 4002.88 7036.98 5316.15 11053.61 7889.76 4643.02 7594.54 5615.69 6885.55 7894.48 5855.35 7858.62 6192.38 5037.21 6541.27 8483.13 5383.21 5668.24 5084.75 4722.78 4579.76 7330.14 5128.41 7139.5 5478.09 8428.56 4920.34 4100.07 6468.38 7072.19 3639.9 3739.43 7470.26 5525.65 5194.57 4449.4 5955.1 3027.33 6481.86 4746.78 4533.6 4439.2 4680.94 6026.85 9335.28 5485.09 7292.39 4824.79 5431.86 4091.94 4408.92 5275.05 7220.14 3854.22 4219.37 6314.54 3795.77 3348.8 4195.05 4514.85 3607.06 5371.19 6564.19 4139.7 7000.64 6967.56 6126.79 5712.74 6547.22 4385.48 5422.98 4782.38 5409.68 5397.42 5540.64 5475.15 5368.94 5433.58 5399.42 5476.03 5395.8 Neopikromycin 3549.06 7226.91 487.29 1481.96 4388.35 3871.14 3844.86 9080.8 12689.89 7755.82 1948.38 2424.38 2855.19 619.66 4464.13 2645.04 445.99 3501.4 3047.77 7740.7 5847.7 7345.16 5131.04 1579.22 4730.51 3251.84 536.68 4972.07 7893.69 8001.19 3394.94 7902.74 673.5 9087.1 1427.95 2043.75 5839.51 4981.7 745.5 2991.09 12808.6 10517.05 2340.45 2796.02 5387.9 4880.28 9304.35 720.01 2273.51 1280.84 9132.23 436.64 704.19 489.55 743.34 2022.13 5571.57 3141.07 2219.54 2368.87 445.75 593.71 1374.18 3147.97 741.82 1959.8 11283.98 1836.72 2681.79 1691.12 7140.98 4868.04 1023.41 12949.26 4690.11 5667.48 3919.33 4762.18 4433.92 4823.76 4422.54 4692.03 4789.94 4762.4 Avermectin B1b monosaccharide 380.54 4383.84 5841.95 11046.5 3377.31 4315.53 5293.93 2473.3 966.59 10958.84 11867.43 905.3 3156.71 377.7 398.89 1391.41 781.14 446.92 3209.45 772.14 2960.17 2142.33 1012.73 4558.35 3163.22 3782.37 3833.28 1261.59 4695.14 2741.2 2574.4 2750.41 660.19 12908.76 12408.53 7698.42 10209.44 7266.05 10893.19 11950.61 11866.36 9829.06 10405.32 12595.66 10634.72 14359.59 8975.63 15148.66 2326.43 10670.82 7062.85 7330.33 10871.3 14710.85 9192.25 10116.72 11811.01 7868.52 7992.32 9484.99 11009.95 7624.87 8073.23 11754.52 9934.4 5714.84 6439.27 8364.34 9588.61 8211.57 10223.5 13393.34 4646.97 6795.17 3364.82 2964.77 2068.53 4283.1 4791.75 5599.74 5077.22 5170.17 3899.12 4578.76 2899.9 2541.89 3173.4 2400.81 2024.47 4434.97 3748.82 2569.51 2069.61 1555.56 2668.2 570.59 3492.93 4029.8 2181.5 11649.26 11750.95 11383.33 11756.38 11772.91 9142.28 11379.12 11164.24 11776.93 cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate 3949.89 3627.54 2462.87 5063.91 5242.28 4915.21 6620.04 5299.08 6332.2 6058.19 3036.07 2493.95 1260.92 2447.33 2059.23 3034.75 3119.36 2078.02 2425.32 563.91 3024.28 1439.25 1077.77 4803.62 2780.58 1677.66 4014.4 4156.27 2691.26 3540.01 3931.22 4334.15 1195.66 7521 7221.04 7440.79 7706.86 8408.88 7339.34 3540.29 7014.8 7908.75 7048.25 7465.1 7381.56 7158.24 6854.57 7662.79 7075.62 7218.17 6687.07 6359.26 7144.64 7298 7408.63 6603.38 7209.89 6260.91 6714.35 6639.42 5968.55 7357.43 7707.18 7146.47 7989.39 12359.89 6848.91 7638.58 7271.99 10888.49 13864.17 6851.34 7300.63 6358.34 5787 6165.88 7874.51 6903.7 7133.82 6729.92 7109.18 7123.55 7016.35 6964.44 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) 271.28 1217.68 1412.07 1086.27 857.61 1793.45 1798.8 1295.39 937.79 820.67 1296.39 1806.8 1692.04 1717.36 1601.88 291.01 1398.08 1016.02 1047.97 1594.89 1657.79 382.03 1273.08 307.18 2695.74 2059.83 2157.9 508.77 1718.75 599.07 1066.76 597.85 864.27 527.74 2545.87 4905.21 1864 1048.65 1835.1 1413.4 3319.11 2744.59 2830.61 7514.95 2017.93 2668.11 1245.86 2961.56 3964.07 4125.58 4133.23 1019.75 4638.53 4479.95 4459.17 3637.94 1962.57 4141.96 2881.54 3249.62 2618.18 968.99 4119.13 1740.57 2081.06 3015.19 1898.75 4282.49 2418.43 4134.99 5186.57 1187.36 3346.98 5787.72 5743.59 4898.01 5833.87 5418.38 5397 5902.99 5503.77 5319.91 5235.17 5858.61 Episterone 113069.05 142331.99 138434.67 153629.93 131664 154841.11 94389.65 75362.94 107714.24 118437.3 73580.42 136853.18 145852.03 145548.98 117855.98 123453.74 172817.57 189765.86 137625.06 152443.8 183436.76 140567.95 137178.68 94697.63 106265.71 146376.54 111825.85 126769.33 130230.73 149781.39 138692.83 133079.87 155252.63 149263.51 131180.13 158486.32 140137.48 168254.92 155806.12 126038.41 123719.11 121070.88 107990.94 121563.26 107808.11 33210.76 96851 111630.11 75123.01 128016.11 125255.86 124493.18 114221.9 108944.53 102034.7 143600.8 146751.53 117359.7 121911.31 106695.42 115618.48 116031.07 104397.63 111443.25 115981.39 95034.4 130615.52 121450.39 108597.71 102346.92 112749.38 98541.4 83431.68 125890.61 125627.24 123623.51 121648.29 121751.44 123538.77 123531.26 121655.6 123507.85 121797.72 122402.49 (2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside) 2294.74 4944.37 1795.83 2277.34 8828.77 1346.69 2945.08 3455.42 1103.52 6122.33 3270.26 8374.05 9559.85 2913.7 4637.17 3716.74 4929.45 4874.67 4768.95 1227.71 4014.44 621.06 1880.16 4643.34 3504.58 4023.15 6552.62 6465.12 9911.95 816.21 1245.8 5686.16 705.51 6781.58 4458.75 1362.69 4316.84 2306.05 3696.65 5202.29 798.48 3105.22 1699.98 2384.36 2340.7 2245.53 2532.32 5352.9 3329.86 5003.52 2185 3539.45 12530.27 16779.38 904.77 2852.83 4624.65 4267.65 890.53 1494.03 3411.59 3828.9 1842.38 9892.96 4426.97 4040.73 2376.99 5565.16 3780.91 3311.93 2824.58 3625.08 3164.93 11510.04 14508.84 448284.98 482756.4 219880.7 306226.12 399099.18 314243.28 316867.49 532184.29 390802.6 326670.05 274286.28 539344.27 293120.58 448286.56 317275.68 297763.49 472295.96 278514.03 292215.84 438560.23 412206.75 200816.5 5046.43 5187.2 4964.93 5791.87 4055.61 4901.44 5267.86 5350.87 5346.98 Mycolactone F 1322.14 1182.22 1314.83 2127.11 1964.64 2011.96 1127.52 1073.53 1176.6 1316.86 4604.06 2735.61 7099.1 3845.93 431.49 588.93 1501.35 626.39 2158.08 1272.54 1158.65 1727.06 2471.34 1591.12 586.26 776.57 1504.39 1158.44 1115.95 2038.98 2877.28 556.59 487.78 3583.87 4033.58 3956.03 1405.98 1383.19 2015.34 1659.58 723.7 4453.95 3709.27 3572.04 4042.2 4655.59 3046.69 6203.17 3726.14 6274.92 3268.36 5069.12 4498.2 5837.39 1784.96 2948.62 1385.8 1331.76 3662.66 1284.74 1356.39 797.84 3308.05 2672.77 1297.47 3224.1 1885.4 2780.69 2741.26 994.33 2084.9 2936.72 3332.36 4844 6002.27 3382.29 3225.1 3538.98 3441.65 3646.26 3519.1 3372.15 3439.55 3529.11 [(2R)-2-(19-methylicosanoyloxy)-3-phosphonooxypropyl] 19-methylicosanoate 648.05 828.53 404.45 1260.15 1649.31 1461.7 627.26 1297.25 1382.62 1116.24 1581.32 1977.47 2523.24 1305.08 9758.63 2603.65 655.73 597.19 1066.17 2218.22 400.49 781.45 1094.43 504.23 342.42 751.65 8788.2 839.4 1876.43 441.43 1038.76 958.77 352.59 2299.76 1956.04 2532.51 711.89 1735.16 663.76 1430.3 3797.7 5713.42 1712.01 924.31 1962.11 3076.46 2192.79 1544.25 3840.47 6499.58 2044.41 4927.1 806.79 2471.71 2690.51 3467.62 1349.52 503.68 909.31 972.33 515.74 730.7 3233.38 2286.2 1804.02 3784.68 2947.06 834.83 1415.02 711.12 1199.63 1938.04 1861.86 3086.66 1421.7 2476.6 2544.82 842.22 2626.62 2472.82 2467.06 2643.61 2623.93 2440.67 Glabrin D 1935.26 3360.72 1607.36 2403.08 1867.8 2487.59 6318.71 719.59 594.64 446.23 593.84 354.94 1672.9 1524.58 1767.13 594.37 1143.37 1833.02 1663.29 1010.66 338.02 3956.09 370.4 1732.65 997.11 867.27 960.68 1489.25 787.97 1438.44 1341.85 1714.07 516.29 334.09 477.17 877.64 3210.2 1915.18 1487.7 1557.02 2835.74 2138.34 1183.12 332.44 1782.55 721.54 2191.54 1495.89 1789.48 728.06 1474.49 1103.3 3035.89 2975.45 553.61 1063.49 1048.35 2026.42 2544.85 4646.6 2151.34 1731.63 4071.39 3242.36 383.5 3164.02 903.93 988.11 1940.31 4291.41 946.34 800.93 833.38 1824.69 3540.5 2559.76 2569.89 2739.58 2514.8 1582.48 2336.38 2653.42 2572.9 2606.47 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium 5434.87 4999.58 1619.52 2948.34 5172.39 28935.29 1465.37 1170.7 11513.83 5567.57 2302.41 2919.67 3315.88 1846.14 5310.84 6658.88 2920.27 11880.14 7125.51 10571.44 9914.56 22793.15 18566.29 3918.8 4266.53 6857.95 2361.72 2255.67 6952.27 2705.78 19927.88 4950.21 5148.92 2153.58 1391.24 3279.28 4635.82 5969.91 3843.7 1816.06 2340.11 6047.48 3773.34 1993.07 5589.82 2476.51 4297.77 4199.81 1517.76 5205.01 3926.42 10578.8 2919.16 2930.68 2856.49 2457.75 2571.86 2730.72 4511.35 28726.64 3703.76 1242.32 5483.61 5531.8 2987.28 8510.31 11089.8 2583.49 4107.98 6991.52 5095.43 4745.56 2738.63 4262.93 5422.04 4082.27 4131.88 4626.48 4975.64 4199.34 4638.2 4147.99 5619.75 4605.15 5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one 10102.6 1019.07 2134.51 674.05 541.13 5984.11 824.39 11504.56 10292.23 9000.98 3264.75 4535.15 3778.95 3863.41 5536.89 4586.8 1979.3 4593.82 4637.74 5438.89 6078.56 590.44 2537.81 2668.04 9018.49 8905.4 5070.89 7581.7 7673.42 7959.81 12028.2 994.82 3724.89 1250.85 3124.31 9259.83 7245.09 3766.83 4007.1 4148.75 10198.65 12297.06 2311.5 2822.36 9885.82 4114.18 10505.25 5339.12 9816.1 8256.35 7050.01 3063.25 1851.02 3170.97 6455.27 3538.41 1924.78 2143.04 5838.09 1389.72 1555.91 2099.36 3990.47 3071.48 3840.24 6526.02 2836.41 5677.14 6367.93 8670.06 9730.4 6697.13 5634.03 2816.65 3263.78 5968.46 6240.6 6162.98 6320.81 6163.83 6161.89 6242.91 6242.81 6166.32 Sterol 3-beta-D-glucoside 16371.31 19709.86 45928.49 24574.86 14971.3 15374.17 15375.76 16214.66 22309.25 19778.99 18590.28 5608.77 3588.13 1971.75 5859.69 10784.1 17321.5 10553.76 11137.73 8710.04 17893.21 2776.39 17757.64 19262.92 6619.57 16592.05 26520.94 15223.03 22072.5 3950.15 6943.84 11735.2 10365.48 26954.7 18862.85 18732.03 21137.49 8224.4 19617.08 15919.18 5117.23 6237.2 15400.66 2864.02 9881.2 9206.55 11225.46 17552.52 12295.85 13849.8 10361 15951.59 15258.5 23877.37 15931.67 20271 36915.07 21429.7 15657.19 11681.5 13775 18246.19 20423.24 22718.04 12961.54 17154.64 11717.45 13425.7 7541.75 19139.96 16875.68 18859.44 17818.1 7868.44 22627.16 16609.01 17346.11 16836.02 15854.86 16691.73 16305.73 13678.88 16923.63 15001.01 N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol 1045.7 1525.58 1839.54 823.67 2639.61 1365.07 2226.04 1844.44 1302.96 2847.31 807.8 630.74 1839.11 940.66 1639.56 2629.97 1561.02 11219.35 1243.28 1646.06 2423.02 2515.37 1316.54 827.95 1500.85 785.91 409.51 2312.37 1059.47 1104.78 506.06 1343.83 525.76 1344.8 921.38 4953.26 3572.46 1781.69 742.02 1056.89 5510.82 10887.98 2317.8 2871.04 6222.75 3898.4 3097.56 5969.98 1915.97 4096.48 2789.74 2826.61 1238.16 5290.41 4352.78 5764.32 2266.39 1703.11 1852.48 3264.86 1632.29 890.89 4818.81 712.3 989.09 3013.09 3933.6 1797.67 2551.55 3573.42 2248.32 2094.11 1312.8 2922.44 4121.75 2486.19 3211.16 3268.93 3300.09 3120.61 3396.11 3291.94 3295.43 3170.07 PC(14:1(9Z)/P-18:1(11Z)) 34316.23 42604.22 38791.3 46750.25 65970.74 101408.33 13823.17 21031.81 14416.9 12884.74 43490.98 31538.38 60110.19 19365.04 14488.85 19980.17 21019.05 38198.14 22255.88 52391.05 28851.94 39234.3 29735.22 25790.72 27034.17 44868.95 34681.07 49142.04 53153.35 46067.18 74764.98 118034.21 31443.23 45952.56 37407.59 46417.75 37014.54 48583.91 42512.59 49084.07 77872.49 71134.82 45410.74 35509.94 54736.71 50629.43 49780.48 41648.54 82551.19 213362.18 91466.96 61710.76 43174.47 48342.45 47971.65 28177.5 33738.68 24645.98 25555.14 18562.25 22034.61 18380.15 19706.31 19295.36 17636.82 23386.58 29416.13 19891.29 17450.96 15300.67 17733.1 18915.48 27121.92 73801.72 31241.19 4310.16 6451.3 4684.84 4217.51 4192.52 4219.46 4201.37 3768.11 4045.76 4128.2 3380.4 3865.62 3944.43 3502.56 3726.51 2297.38 3843.7 3492.89 4335.14 3760.28 3859.87 3234.99 3667.47 4186.04 3103.69 12262.49 12700.81 12656.33 11849.44 12042.67 12681.49 12702.33 10385.92 12698.46 (1R,9R,10S,12R,13S,14R,16S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol 823.09 2086.37 3303.6 2539.54 499.52 2140.15 899.07 3232.26 2108.95 1880.05 696.51 1806.62 815.9 1305.61 604.89 4496.55 1456.9 2037.85 2352.9 1958.77 547.38 1169.71 2409.76 2145.57 2611.06 1045.48 3091.35 2444.19 2974.01 2956.53 464.31 1085.39 463.78 4424.57 2939.92 2878.86 2047.18 733.54 6172.43 4562.78 2833.08 2849.36 7880.15 3539.19 931.01 4108.94 4549.01 3649.52 402 5099.14 4375.72 1413.27 3986.53 5714.57 3283.48 850.48 2805.55 2292.81 1698 829.77 3879.56 4024.27 2706.91 3502.33 6816.92 1812.43 2443.57 3628.68 22842.34 1999.12 1391.23 456.86 8618.32 2627.52 4862.04 2349.52 4029.51 3768.46 3938.33 3769.94 4007.22 4015.19 4203.84 3800.01 1-Deoxycapsidiol 8953.02 11380.07 384.81 2467.69 3683.11 10058.53 1251.75 2985.94 7734.66 5402.45 1794.82 2584.14 413.93 1561.66 10756.76 2049.95 566.27 1555.55 2152.17 1611.61 1172.56 10591.75 865.35 485.56 2807.64 1326.8 2986.64 935.68 3428.14 877.16 1271.28 2081.77 1578.01 2389.01 1738.67 1380.14 3803.43 10567.77 1015.13 608.18 2446.15 4566.15 2919.25 506.77 1829.71 672.23 2783.06 5343.87 1079.77 1023.56 841.52 4198.37 2594.03 411.3 7344.74 10720.04 3494.82 3666.73 4567.59 6503.33 1519.08 514.97 6456.3 4801.47 6070.29 4390.34 14650.79 2229.13 1380.01 8171.79 8652.21 3128.95 1331.55 1313.45 3316.24 4381.23 5510.79 3879.22 4489.1 4126.98 3325.75 3649.64 4002.16 3408.74 (5-methyl-2-methylidenehexyl) (Z,2S)-2-hydroxy-6-[(1S,4Z,6E,9R,11R,12S,13S,14E,16Z,19E,21R,23R,24R)-11-hydroxy-24-(hydroxymethyl)-12,15,24-trimethyl-3-oxo-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-23-yl]hex-4-enoate 26.85 117.67 22.09 15913.96 22508 33481.8 46841.5 247.14 45.98 59.78 58.89 104.83 1066.18 76.91 81.83 2569.47 118.57 222.82 899.61 121.33 59.79 35.13 58.16 120.47 141.49 72.69 33.12 23.95 33.41 114.8 59.61 86.15 91.97 975.59 251.4 226.58 117.32 548.75 262.69 181.91 12732.92 229.05 168.22 112.44 80.89 9353.2 49.08 163.81 3434.74 840.54 1077.71 210.98 198.45 448.81 1841.11 94.97 669.25 148.12 105.3 1248.17 163.97 948.74 194.48 144.24 163.35 504.41 117.73 132.7 59.63 82.16 107.55 57.99 657.96 1661.54 788.49 4146.2 4125.36 4193.82 4155.26 4124.54 4124.36 4094.16 4125.12 4156.89 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid 998.1 2171.86 1041.65 2516.52 747.69 7693.1 390.46 2025.35 2723.55 2806.82 1015.16 2135.17 599.72 1714.71 1761.24 1706.81 1532.79 669.16 1767.37 1948.04 1790.11 16043.06 1712 1934.64 622.22 14120.71 1914.39 2337.63 3830.62 546.41 2970.77 1164.92 13166.71 286.41 422.65 1267.92 637.35 12311.38 2523.62 1021.31 708.89 856.62 2114.01 1339.43 576.97 644.49 1006.7 1039.93 1788.67 1068.38 402.39 7134.36 1257.48 1534.99 2656.28 15917.5 477.12 2064.83 6071.28 4857.29 889.29 2424.92 3565.93 2628.94 3350.45 372.76 8392.19 2418.49 639.14 3204.33 4131.85 3615.94 779.02 1040.47 531.98 3992.29 4220.02 3916.67 3176.32 4218.98 4251.85 4205.75 3945.34 4085.01 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester 891.23 628.31 329.16 218.74 240.24 708.16 2510.99 681.65 1048.65 1765.78 957.19 630.89 2013.74 371.15 584.64 406.48 117.38 644.08 3470.5 423.13 709.13 494.72 424.02 570.72 2344.93 409.46 134.87 162.57 193.26 151.62 894.41 829.19 346.28 481.85 326.08 429.58 1373.19 2305.87 1202.91 1090.9 8653.45 2639.76 1289.6 298.83 1490.37 1733.15 442.93 1297.2 2277.23 2132.54 2632.64 1672.23 336.62 406.53 3092.1 525.48 558.7 403.91 569.24 2539.59 387.19 837.99 1247.73 710.69 292.86 1751.71 120.07 1368.39 544.39 1418.87 731.78 435.05 540.59 771.83 450.01 3349.13 3341.28 3419.47 3545.02 3234.55 3385.57 3425.61 3306.89 3423.29 3-azaniumylpropanoate 5660.94 6346.37 4224.46 5076.13 5511.11 4846.93 7027.3 8528.59 7138.61 7569.98 7229.14 5499.4 4186.51 7413.86 6769.74 7304.77 6340.46 6451.52 6081.81 5591.59 6695.43 4712.18 5041 5834.82 5306.73 6361.94 5602.51 5363.32 6353.47 4825.25 5587.35 6811.17 6008.94 4892.48 6238.23 6770.53 6702.47 5823.09 5846.99 6824.47 6326.43 5888.57 7171.55 6309.36 6702.2 5254.88 7526.47 6896.14 6223.91 5994.65 5970.59 5811.08 5912.18 5243.27 5525.29 6612.42 6327.38 5908.46 7024.14 5101.45 5547.8 6916.77 6774.31 5478.51 5217.87 6621.85 6636.66 6637.87 6805.55 6506.59 7448.44 6350.84 6999.9 5613.72 6144.96 6127.2 6130.13 6211.56 6094.15 6011.31 6002.06 5855.36 6137.37 6136.15 3-[(3S,5R,8R,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 198.54 234.48 375.04 419 381.04 576.29 346.71 619.32 483.33 195 514.89 561.93 447.04 310.35 1304.37 959.63 556.69 659.08 224.86 759.32 418.15 11859.31 212.46 227.83 443.49 1526.67 1442.04 302.98 312.65 249.69 496.25 352.34 344 488.66 877.79 474.95 312.14 515.31 431.88 718.88 464.37 1475.01 466.26 254.76 677.25 3185.65 534.83 756.88 473.05 273.01 3429.33 783.09 814.95 534.99 218.24 422.93 432.46 698.22 291.66 3216.07 549.71 1005.8 511.62 641.93 688.65 554.99 246.05 479.58 845.06 541.43 495.19 305.78 713.64 865.87 325.83 1460.64 1378.84 1376.84 1462.37 1468.39 1447.84 1415.18 1721.1 1410.46 1-Octadecyl-glycero-3-phosphate 19180.85 23676.31 18927.37 2289.64 6893.23 19254.64 23972.94 36228.64 1394.13 6310.44 23083.31 19624.32 4494.07 27965.74 21070.64 21134.72 1132.53 11318.61 61258.18 5257.62 3612.66 13067.71 5821.02 29777.93 2372.17 854.94 27603.65 22609.64 25345.63 17987.77 3409.94 5055.59 1508 9345.09 27817.38 13197.54 20381.52 23144.04 35886.09 27818.29 16041.61 13430.94 27882.74 27458.55 17842.38 23835.12 16192.44 45510.18 21555.52 33568.42 18649.09 28269.44 26818.76 25330.68 19113.26 15638.71 18614.79 18915.13 23439.55 15825.16 28341.11 24770.16 23811.68 36092.67 41081.88 21491.53 17422.01 21459.48 26499.8 22171.02 19002.43 13825.88 26505.9 21405.4 18622.31 19729.69 20855.6 19711.21 20725.19 20148.11 18750.47 19711.67 19729.81 19393.11 6-[5-(2-{[3-(3,4-dimethoxyphenyl)-1-hydroxypropylidene]amino}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 4342.93 3792.68 4971.53 728.76 1083.13 2179.03 4335.35 789.54 2005.63 19264.41 2158.41 1318.63 1075.76 2571.7 1083.31 1579.85 27044.11 1641.88 2807.3 1147.57 898.81 3307.18 410.77 530.22 941.66 2713.57 376.13 1004.3 2525.39 2065.58 3935.26 1421 28554.64 2999.44 3571.53 3479.76 2596.77 10491.39 3866.4 3880.76 4785.91 6499.61 3279.18 10461.97 3879.9 6161.84 12416.92 4715.17 1423.51 4995.96 6673.93 5589.9 5710.28 1490.48 3339.91 9269.45 11748.51 1972.87 19378.92 1981.96 1451.26 2624.72 7115.59 996.61 2475.71 2689.36 8173.97 6250.42 10508.32 4526.1 1204.97 6211.88 4797.02 5854.86 585.61 6100.13 5703.42 5729.15 6133.41 6085.09 5777.01 5719.92 6097.98 3194.62 beta-D-Glucosyloxydestruxin B 5540.35 5813.7 243.03 1327.51 5602.14 2841.59 1074.16 13406.86 13247.36 9324.03 345.56 1276.28 2856.59 958.14 8304.44 4596.12 2093.39 17089.99 22692.32 2148.25 21538.73 1372.93 3244.23 2939.11 18165.35 17451.54 1176.33 476.11 2524.07 589.97 13930.7 26510.25 501.44 2509.09 771.34 8703.05 19097.77 5043.66 1298.5 2400.62 7677.46 18806.09 4387.01 2244.35 18694.8 1861.78 15349.92 8309.02 5871.38 15731.83 7513.96 8486.09 3783.43 772.98 6446.65 6576.54 678.15 1286.86 10415.01 2196.53 1303.8 2052.61 7620 4223.43 2548.2 5957.23 12446.58 2545.49 1341.29 14125.28 3173.3 11022.3 3906.95 1245.29 544.88 11560.75 10897.1 11365.85 10658.23 11349.81 11517.96 11500.07 13165.79 10048.04 Fusicocca-2,10(14)-diene-8beta,16-diol 3116.54 509.7 3727.11 2151.67 839.28 8255.69 6353.39 1044.45 937.57 975.46 3153.05 3550.77 9345.54 4534.5 3877.97 4863.25 6048.24 5338.11 4880.86 788.56 4294.48 3304.91 2747 3726.82 3218.31 3361.56 3735.36 3530.78 4722.46 3610.28 3689.52 893.6 5093.18 2566.61 2508.25 1890 1092.69 2876.61 1422.93 1825.26 3061.49 4401.89 3676.82 3253.73 1644.88 35789 2100.6 5342.44 1044.76 14842.12 4311.74 1176.57 2901.87 5025.4 1462.77 3847.44 12088.31 5238.07 5526.35 3907.03 5950.27 4541.95 634.03 2836.69 2440.07 3662.09 2020.81 2701.64 1242.7 1496.24 2407.66 1050.46 2104.83 5153.19 4101.84 3477.37 3792.37 3709.92 3658.72 3469.1 3415.6 3707.68 3513.31 3704.93 (2R)-2-amino-3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanylpropanoic acid 2562.32 2540.45 611.25 1817.81 2224.39 446.16 604.79 3503.88 4826.5 2129.6 1120.27 3334.73 1574.56 1036.93 2235.97 3284.66 1749.91 3587.5 2094.6 922.51 2570.68 512.51 686.6 712.52 3829.76 826.83 2545.43 589.78 5074.31 1484.81 3592.78 5470.34 2520.66 1451.43 1820.07 2921.11 2189.42 2284.38 1168.22 1416.76 2929.76 1854.5 624.81 1195.22 1600 971.9 6193.46 7267.17 1838.78 4275.08 1420.85 978.32 1395.74 772.25 2675.98 2194.37 2261.78 406.13 4642.24 644.91 1725.28 1099.75 1459.49 696.43 880.31 2049.99 5124.14 2281.09 1714.33 2611.35 6340.8 805.98 950.05 1245.38 1402.35 2707.62 2907.11 3003.67 3015.77 2915.3 3000.07 2916.35 2903.79 3171.34 S-(4-methylthiobutylhydroximoyl)-L-cysteine 3425.55 3853.96 4199.03 3891.49 2170.16 1213.46 2033.33 3483.21 3772.11 5009.53 2811.96 2350.89 2631.56 3745.1 3314.56 3350.2 3419.14 3001.6 2731.47 2421.71 3333.43 2623.16 3668.94 4305.3 4169.91 4305.18 4291.29 3757.09 3209.75 5243.07 2967.76 1034.3 3571.82 3745.36 4595.49 3354.71 3826 4241.37 4110.51 4637.86 2881.9 2576.3 2997.06 4088.82 2014.16 2875.89 2681.23 3690.96 2014.79 3013.11 1539.46 2754.78 2856.56 2564.15 3154.18 3483.55 4354.38 4194.25 1831.63 4182.16 3884.15 3629.46 2973.06 4960.05 3311.11 2839.9 3645.56 3746.84 3626.42 3612.6 4057.29 4011.77 3597.84 4258.08 3866.39 3313.58 3313.46 3266.62 3312.46 3312.63 3312.68 3260.28 3274.89 3312.87 Muricatenol 478.77 473.98 565.03 395.62 1204.74 272.72 1436.9 612.88 608.91 421.21 547.97 710.09 542.2 514.78 858.73 958.19 369.65 649.84 284.94 753.88 392.81 716.2 691.7 597.29 714.22 560.22 741.96 596.39 375.71 577.03 377.16 647.42 872.09 533.37 677.16 513.03 601.42 869.86 768.94 798.59 1237.15 2407.92 1033.3 744.01 2082.87 1248.59 753.33 1069.3 572.01 1347.19 1564.36 5268.55 576.17 451.49 873.15 973.64 432.24 392.84 253.69 635.71 467.05 636.64 1473.86 603.06 913.82 367.13 1018.91 335.95 813.26 471.73 378.83 949.71 491.4 1120.32 908.25 1463.59 1509.03 1477.8 1455.06 1421.45 1327.33 1440.83 1488.02 1334.48 5,7,24(28)-Ergostatrienol 5918.01 2664.57 2053.33 3470.85 6030.2 1189.98 4751.11 16306.87 18637.08 2149.24 1872.97 4936.74 2017.36 4960.25 6763.07 3376.84 4538.25 10124.9 2450.87 4646.71 20244.79 19713.58 2808.83 1902.56 8332.71 6185.99 1681.04 1917.44 9525.81 1980.98 8501.13 5090.98 2308.77 9724.54 3797.72 7966.1 15149.73 20360.22 1892.66 1529.41 4764.98 7487.44 3632.28 689.81 6058.82 4910.53 8986.47 3678.45 1975.95 804.65 5489.93 5179.23 1722.51 4106.07 5258.09 4817.27 4420.84 1621.46 7950.05 4116.65 2348.76 4882.57 6359.09 7064.44 3076.09 6682.04 5460.07 2041.78 5465.9 57699.55 3142.22 12964.99 2544.42 4145.91 3374.78 4549.18 4552.76 4797.79 4792.44 4944.65 4607.1 4557.59 2337.3 4798.63 [(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] 19-methylicosanoate 10783.44 11293.13 13675.96 12122.42 7712.71 8311.1 2821.49 15449.26 14926.88 11653.95 18691.65 10895.73 8568.68 11214.99 8543.68 8757.86 12486.6 8750.76 7926.09 9162.49 9371.04 9324.5 9737.78 11853.07 10779.47 10662.18 12491.59 12332.58 10662.53 12205.65 6937.24 13229.72 9593.23 14462.68 20009.05 9226.73 16497.95 21895.53 18730.61 23303.88 10435.24 12365.39 15199.21 23593.8 12055.2 10072.03 14771.12 14501.56 5889.02 13477.07 14817.28 12664.13 15747.86 12341.42 9800.28 17519.06 16386.58 20207.27 14755.51 20201.58 19996.91 18036.11 12093.22 11451.32 10863.08 14408.56 18801 19199.58 22607.07 11731.73 19720.81 18083.07 17728.1 14272.82 16113.86 11439.59 11125.83 9241.38 11027.66 11391.05 11225.43 11790.49 11589.32 11107.6 13-(beta-D-glucosyloxy)docosanoic acid 2004.23 504.36 255.15 5747.62 210.77 1237.18 1376.54 896.45 205.53 299.45 1487.53 694.5 3755.88 617.31 747.5 3213.78 157.74 1139.42 906.03 345.5 160.87 1446.95 558.86 359.93 538.57 535.01 256.26 674.64 724.65 408.63 1091.84 10469.53 750.51 1565.43 3247.24 453.59 739.5 2381.18 2141.14 607.81 2357.6 4176.21 1037.05 634.83 878.04 28573.77 459.85 587.64 515.57 1246.53 1230.16 697.78 2110.72 692.62 387.73 469.89 167.56 933.53 248.32 400.13 1182.58 777.27 522.66 453.9 1044.33 5168.29 827.25 483.09 830.5 1688.28 933.76 1257.6 2104.13 4058.57 1644.24 2956.3 2779.72 3113.98 2980.03 3099.99 3054.19 2975.75 2985.17 3105.31 1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-4-hydroxy-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one 22244.48 18235.53 4180.91 7820.16 19112.98 16463.53 15617.56 44297.84 50269.85 33219.43 12990.69 20303.44 12311.57 13927.91 29030.43 20815.23 12258.3 23183.32 23236.35 27946.98 36569 8918.27 9386.67 13179.6 24045.68 20567.01 17456.02 21887.09 1369.84 23180.29 26542.82 20203.74 15775.07 15709.28 9400.81 43729.53 39432.29 16357.38 17907.19 22106.79 51590.72 45699.86 13583.68 13204.88 40461.88 18600.27 48407.34 24830.33 34276.93 39879.23 34798.17 16809.01 9470.78 16597.66 28978.86 20219.97 4015.96 2263.45 34244.07 2767.95 7240.79 2689.9 20591.49 14709.25 22157.35 37032.49 38182.83 28207.91 32885.5 39424.51 43658.61 26061.13 31463.19 16959.72 19729.07 33096.55 32381.33 32355.03 32611.33 31385.24 32379.55 32694.25 32610.87 32605.94 Osthenol-7-O-beta-D-gentiobioside 2685.82 5337.38 1188.05 3725.45 1528.24 1348.52 3180.81 5893.35 9277.02 5637.53 6562.98 6391.56 4875.31 2907.99 4416.79 9497.1 3767.75 10561.65 2783.2 6022.48 11557.76 8386.08 4936.87 4559.28 8342.81 950.81 4111.76 7108.08 1107.98 5577.28 10628.96 1866.58 6508.81 2576.18 5980.61 9325.79 6155.39 7819.8 3128.18 7362.04 4996.7 4575.59 9744.24 5229.23 9953.98 1599.03 4535.95 2640.75 4110.74 10858.81 11197.72 8866.64 2877.99 6096.69 1211.89 9427.95 4468.09 1765.93 3541.3 2998.96 4576.96 3794.98 4998.24 4145.78 2517.09 7666.09 15790.75 2052.94 5050.26 10558.69 6849.93 1662.97 5651.3 1146.62 4567.62 4946.01 5281.35 5184.8 5159.03 4811.89 5016.88 4764.72 5472.08 3205.83 3-Nitroacrylic acid 512706.05 581204.35 575291.01 563054.89 543196.53 464717.46 626060.1 605237.73 598545.61 700685.54 390427.04 363102.38 411248.24 719973.2 690285.84 720073.9 722320.76 744907.3 706591.15 646335.64 541091.68 353039.35 377135.95 543415.99 635485.38 576330.24 655405.26 538080.7 551667.23 552027.12 478751.93 62046.6 481056.9 372311.99 375554.44 389984.22 333416.78 352361.13 434980.01 472634.62 450227.58 464025.23 530236.2 455882.61 344299.95 455555.24 426513.49 484678.56 454425.08 492553.15 495155.9 439647.39 489687.01 562921.21 558135.59 517817.38 555902.54 642263.07 520678.77 493276.43 581846.7 638051.76 587981.15 652110.62 587308.73 663106.58 597520.44 640023.43 654673.78 724273.03 488981.63 543930.58 466152.51 512692.3 440280.38 449775.55 456247.58 393242.55 447968.35 463259.03 463115.1 451552.96 463547.99 448445.04 Methyl(e)-2-hydroxy-4-methoxycinnamate 15121.91 11682.51 12670.07 18126.9 9848.48 7144.81 15712.97 1013.92 3157.42 2034.16 9152.31 8750.82 3276.97 4698.55 15291.93 14779.98 6976.68 9711.83 13552.08 8826.5 9022.81 6057.72 5464.99 11407.55 12709.17 21426.63 10181.09 15168.18 20498.53 11203.06 11884.26 11973.81 10294.84 9419.74 7441.98 8311.41 10318.37 8869.39 9401.44 9337.47 6846.86 13660.91 9632.91 7017.52 10123.79 8546.37 13725.91 8533.73 6730.12 7020.21 4638.51 9778.62 5341.31 12808.71 7610.49 14272.51 5279.56 15746.81 8788.73 8937.74 14092.84 8916.51 10389.5 6546.66 8298.08 7656.36 8996.62 10236.54 10947.37 7327.81 5449.77 5018.71 9795.26 6498.63 8940.98 12531.02 13749.83 10902.47 10566.21 13615.88 13470.31 13480.77 12549.89 14411.9 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 13432.83 13623.13 6251.47 7964.98 12189.73 10010.43 9747.66 14510.93 18275.01 15582.56 8783.64 11230.73 8289.4 11891.72 17744.76 14540.59 11433.25 12910.33 12866.77 16973.81 17224.18 8073.15 7684.68 9754.67 15941.58 15272.97 12926.77 16296.39 16647.6 16619.11 16890.89 14319.32 11357.13 9599.66 8084.71 14199.91 20756.94 16533.4 13023.2 15393.12 18422.59 15927.59 10608.22 11768.33 16072.95 12888.13 20419.66 14011.86 15136.32 17951.34 13748.46 7533.08 8862.71 9564.86 14712.54 12066.98 5336.95 6219.67 14655.2 11548.71 8643.16 7586.54 14187.95 12250.33 14126.34 15881.77 21774.82 16047.55 16167.87 18464.22 18669.52 15506.92 17291.04 11241.9 12837.06 17584.46 16413.91 15963.69 15521.25 15957.66 15524.68 15526.13 15780.25 15782.24 [(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] 19-methylicosanoate 923.49 1071.31 12925.39 6223.9 8916.93 5196.79 7434.27 748.56 1047.42 283.64 3321.77 2920.65 740.51 306.66 298.1 12046.15 599.12 403.68 2071.87 249.71 5929.11 630.65 341.56 2192.8 368.01 1938.7 2970.57 243.97 392.94 778.82 362.56 1238.45 231.95 2087.51 4764.16 344.79 1882.46 325.24 771.38 2100.1 2994.58 1112.27 4126.22 469.93 1461.45 2520.71 1426 1986.48 410.14 10717.08 353.92 2393.22 2288.73 7863.15 2659.36 4067.42 29458.71 5923.17 1627.52 4037.39 6915.26 1349.59 2847.93 12748.49 3611.84 4260.35 600.47 546.75 1467.93 1284.64 1211.19 2557.26 5383.12 11247.01 5068.89 5451.25 5444.74 5335.23 5153.65 5443.31 5340.99 5336.04 5358.55 5420.98 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1a'' aglycone 8760.39 7812.54 6517.77 7443.55 8134.49 14140.36 15249.31 6854.51 11446.73 30388.18 1470.17 10047.44 15987.27 2465.15 9503.64 11183.03 2259.89 5517.46 22404.59 10161.63 10033.36 5322.66 8682.66 4075.58 9510.7 6019.2 17942.86 8296.75 11810.48 10649.12 7520.85 4847.45 8342.68 14931.08 11388.99 12431.95 1825.86 16317.98 3000.04 6303.84 8730.27 7042.94 14157.49 6593.7 4341.97 7593.87 2108.12 9195.18 7222.1 8489.09 2764.77 13602.51 17338.4 10049.17 8518.16 4115.62 13324.97 6773.56 2011.04 2271.99 2449.42 17542.98 4791.26 10877.35 3046.11 5807.73 7687.6 21134.66 4849.58 8426.08 3761.96 3962.04 6148.02 8003.64 18578.02 7505.51 10331.58 7978.8 6731.81 6662.35 8749.36 6836.57 6995.09 7981.13 7569.68 6411.32 7594.03 7768.6 7763.23 9191.7 6269.03 8294.66 7156.66 8213.01 7666.13 6779.04 6305.72 7682.96 8053.48 8267.72 8238.74 9239.82 6719.08 9807.08 8630.12 9333.41 9549.47 8230.93 9766.84 Coumeroic acid 1681.09 3191.05 3717.59 4976.32 4827.21 841.23 4596.96 1807.8 614.61 4583.02 1629.7 2835.49 7310.55 5157.73 436.91 1601.54 6042.32 1862.04 4810.76 1418.8 1645.27 937.37 4318.36 3635.73 1107.98 2911.34 3180.55 861.35 3929.71 1002.43 387 1444.67 1559.07 5034.82 5082.07 3282.42 1525.03 990.83 2003.43 3706.76 544.57 1153.97 4139.83 2195.89 2016.48 3163.94 2053.92 4762.31 2278.71 2601.5 1294.36 7263.47 4832.89 5817.88 1924.44 6817.66 2404.78 3306.07 1015.59 452 3515.45 5502.73 1300.15 2926.73 2484.31 4283.9 2881.42 3193.17 1421.09 2308.08 1144.47 7184.86 6725.79 8610.87 2271.65 4608.43 4519.47 4685.61 4610.86 4579 4606.02 4612.76 4411.51 4513.78 (13S)-edaxadiene 2346.24 1485.17 1481.85 2214.52 4386.33 24534.8 2939.66 1058.4 1347.13 1961.77 628.28 1267.85 2562.65 1038 1671.62 829.55 496.35 1485.79 734.47 831.24 1151.17 427.85 1218.24 1961.95 308.77 2038.65 2198.95 2874.24 2154.63 950.07 806.04 857.52 1212.57 986.44 378.41 3398.97 328.17 1254.31 2065.34 538.8 5841.86 1858.14 1517.06 427.53 1305.37 6654.44 364.6 568.82 1547.1 986.76 5745.6 1352.89 404.84 2450.57 487.58 491.07 376.83 984.73 541.32 996.08 448.14 1521.66 531.18 944.28 455.04 614.66 948.48 862.63 515.16 899.53 1029.8 477.02 2003.42 1618.89 2548.54 2161.75 1816.77 2104.47 1814.43 2047.75 1790.97 2034.24 2028.4 1328.15 LY-3381916 49685.38 15516.26 6925.09 11012.44 30305.61 14767.87 15983.52 37427.22 48559.31 12154.21 4055.44 33640.35 19214.86 32774.27 21658.52 26459.07 10773.55 44230.97 27664.52 45565.05 54236.76 6307.08 3179.75 10617.71 61988.9 17416.49 22875.21 22685.19 35810.27 37985.64 40408.17 42667.16 9782.05 11546.22 15127.22 37933.05 42925.35 5447.2 6302.57 11377.57 52440.85 48148.44 11826.29 10851.3 68515.16 14843.06 61814.68 26035.19 14134.08 75467.75 35413.6 11957.44 11141.58 22107.96 27650.99 17419.11 7823.07 8726.58 16189.01 5548.33 9980.95 7909.27 17575.13 8835.93 9392.16 38711.28 26068.79 36340.71 39378.65 25814.45 18986.18 13394.35 14754.55 17466.39 38580.89 23761.91 24936.57 24736.33 23042.33 24743.92 24192.07 23759.16 23730 24582.88 1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine 2091.66 1448.19 1227.17 517.29 2107.39 2819.48 5933.54 1516.55 1548.74 6814.62 1472.64 946.99 3106.63 1244.05 5413.78 1261.33 1308.04 1365.51 1181.31 2472.94 2139.71 912.2 849.91 5237.65 1949.87 1966.76 1740.64 1846.29 1570.75 1585.75 1677.92 1800.47 673.24 3245.77 3786.96 6343.34 9058.65 10953.39 8348.09 11041.33 7103.5 7945.96 7261.76 8330.36 4688.48 4543.36 10780.41 8859.17 3084.65 10974.51 9120.82 8201.88 6232.56 6072.57 6701.53 7465.36 545.96 2711.25 9641.98 2214.04 5420.68 2369.37 1680.16 2969.95 4906.99 11502.48 14516.58 9032.71 8634.6 8249.59 6940.37 8322.82 10540.69 1842.54 7165.41 5850.68 5529.38 4566.4 5620.51 5713.33 5551.29 5726.93 5560.18 5723.74 Phe-Trp-Gly 6770.4 10897.88 5138.06 6803.9 12228.89 7926.5 2267.62 8005.13 8457.78 4577.51 5089.36 5020.37 9738.66 8842.05 11635.09 12500.12 7904.15 13828.42 12958.58 16380.55 8465.29 5160.36 1695.74 7896.93 8739.44 7229.71 5876.69 5475.87 11300.86 7643.41 16748.21 13132.44 4166.47 4342.26 6415.63 7518.03 6846.27 3287.91 584.89 5229.95 14734.34 11884.14 7326.19 6523.04 9941.82 1288.29 10245.44 8167.22 5466.55 18928.91 5370.16 7113.67 6651.91 7867.64 9832.18 10923.52 6255.4 7133.87 4935.6 6212.43 5411.28 2189.93 8727.48 8287.48 4834 10889.18 14047.21 4850.99 9368.69 8550.61 6201.06 7111.83 6152.91 10480.28 10134.88 8306.77 8128.29 8356.75 8080.39 8228.96 8144.18 8107.86 8294.13 8381.93 Alanylmethionylarginine 2319.14 2942.4 6426.92 7899.66 6497.99 5711.88 2603.33 996.16 897 4341.4 967.25 491.57 3585.93 569.23 6930.83 10201.96 3023.11 6608.2 7675.91 10028.13 8732.39 3437.6 1723.01 3165.46 931.09 1322.23 3046.14 1219.71 5140.62 1513.64 8723.98 1002.02 366.5 2697.26 2652.42 1363.37 1275.74 1307.81 3057.37 1699.08 10687.55 4024.71 732.31 4976.72 2072.51 2856.9 10153.16 5470.59 1791.21 479.21 7104.05 2815.64 426.09 7822.67 6146.39 1062.79 1227.51 1036.06 4285.62 434.06 4895.14 3489.93 1186.09 1028.48 2758.56 7315.34 3292.26 3177.29 1419.44 3195.35 3855.68 721.27 2539.25 1627.1 5390.33 4492.84 4426.36 5077.46 3757.24 4399.86 4259.63 3809.72 4632.64 3761.9 (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol 2866.48 2816.44 2554.75 4392.43 2794.22 3520.71 4927.83 4798.12 3211.63 3145.64 3547.32 4209 4000.93 4257.66 2895.14 4721.24 2085.81 1650.62 5080.15 1900.79 1975.98 4180.05 4479.48 7188.05 5357.13 2844.66 2860.99 1468.31 2063.52 420.42 5157.29 7718.87 3885.56 6885.04 6106.31 3602.74 3092.81 3918.94 2883.3 3733.64 2109.16 1588.08 4973.87 54637.49 22252.71 8731.42 3711.98 2760.93 5029.09 3713.77 1311.57 2715.67 5456.62 4400.51 2216.03 2209.72 5029.89 4820.52 2874.98 1356.83 2152.41 4302.58 4723.82 4333.74 2172.87 2135.38 3141.98 4867.87 3843.72 3024.49 2100.17 4596.63 7007.75 4730.47 4221.45 6853.14 5568.27 5632.26 6007.72 5798.47 5768.55 6039.94 6001.26 5512.61 methyl (2R)-2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0(1),(1)(2).0(3),]heptadecan-7-yl]-2-hydroxyacetate 20513.68 20610.2 29278.92 18036.26 15430.01 16455.52 45050.34 26473.91 14677.99 23093.46 13538.2 4501.71 7345.97 21954.54 14407.24 26695.51 15258.4 11078.81 23868.83 8450.03 18298.59 18598.08 13535.51 15657.85 30937.03 23579.54 18433.48 27686.39 30075.94 34931.05 4117 17113.42 17963.89 33900.77 18133.91 8326.72 22136.63 16083.75 17666.35 17516.3 23327.85 13192.45 18738.57 15469.27 10979.99 17573.96 14622.2 8505.71 16328.19 17928.87 8249.83 16524.04 9091.52 23401.39 18383.53 14480.44 19667.6 24686.99 15211.27 21047.46 21137.66 15632.61 22270.26 20835.04 14135.5 14374.95 8582.99 19010.51 15555.95 16266.12 21324.74 22966.62 11115.83 7320.25 15349.19 13918.65 15202.1 14749.78 11469.13 14850.23 14342.76 14079.08 14067.83 14132.13 [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate 4628.63 5462.67 10609.99 7098.77 1911.23 7697.03 12692.9 9175.09 6344 6492.79 8253.21 1755.39 1143.23 3129.81 1060.3 1183.43 3693.08 3551.86 1210.81 5140.89 17380.53 3543.02 4576.25 4877.28 4699.98 4792.24 7332.12 5089.23 1927.34 7672.58 3779.67 1333.4 9345.06 18891.81 24634.43 19666.44 21250.67 18200.22 22887.79 26257.79 15381.79 13940.44 24279.25 23614.74 16463.11 20121.86 17631.38 19650.16 22102.03 26432.66 23342 8826.62 17539.04 19833.97 22800.76 21444.8 25176.53 32476.78 20575.56 23162.9 29051.67 28452.39 19755.41 15721.4 15700.7 21215.95 22789.6 21563.53 21849.55 17979.02 17916.56 22023.98 22154.71 27803.97 20588.17 5585.03 4600.8 5610.68 4922.37 5347.24 5231.17 5378.66 5284.94 5110.78 5534.86 4675.1 5821.54 5638.37 5793.77 5435.78 4284.0 5946.45 5962.33 5717.25 5111.11 5539.13 5319.97 5705.03 6072.79 5085.96 13453.97 15567.46 12974.93 13880.05 13929.25 15080.35 12609.83 6659.38 13874.77 Tyr-His-Ile-Glu 7626.36 8889.49 7234.43 5063.84 7831.56 11331.87 7085.53 1208.02 7728.59 10888.32 5794.39 6599.58 5634.26 5374.41 2057.81 2152.09 940.16 4241.67 1483.13 6125.96 6097.7 13150.72 1077.95 2530.86 6706.21 2028.34 2948.08 1404.51 1103.82 5524.3 1612.01 8645.07 5194.68 5027.14 5826.41 5563.65 5745.74 8314.96 6698.1 4954.91 4092.76 9761.88 6558.55 2004.38 8269.33 6916.34 9595.71 5984.18 4576.94 9622.06 12330.76 5935.6 5869.91 8923.02 5894.34 7256.62 5966.26 7678.39 6393.81 7465.92 7431.07 7374.11 1634.45 6597.87 8219.68 4632.23 6837.27 10524.14 5875.98 8578.53 8707.5 8107.94 8454.64 6038.98 3381.46 6792.47 6941.84 6746.02 6733.17 6719.42 6962.35 6719.16 6934.39 7207.51 Glochidacuminoside C 9358.34 11779.94 4179.25 10911.46 17875.57 5572.01 12044.74 12140.16 13710.1 4956.12 5659.47 13274.19 17331.11 9916.94 21442.66 20237.21 12983.66 18046.79 19838.77 29828.5 13275.46 8357.19 4809.64 10926.15 12954.33 11073.76 6016.59 6659.52 16457.95 14054.73 25309.71 27273.92 8121.26 4446.07 8447.14 12313.03 7096.42 3345.4 1070.47 7293.2 26916.86 15316.11 9211.74 6851.63 18511.01 6840.99 15564.66 15986.39 6797.4 44579.26 2885.38 9683.51 8227.63 13025.82 6729.97 14867.7 7315.91 10171.23 6465.86 9876.44 4953.23 1817.77 11865.4 8919.64 6810.53 12792.37 19417.52 6420.06 10075.98 12257.75 6629.66 7539.84 6645.31 16499.07 12947.59 13886.28 13586.25 13436.48 13559.23 13379.36 13588.19 13367.7 13366.62 13544.66 Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside] 2242.92 7328.23 1647.07 3405.83 1375.46 731.55 8622.81 7121.8 5887.68 6534.75 4151.35 5256.79 645.37 5209.8 5177.43 4479.71 4508.31 1974.91 1367.11 2337.62 4425.67 1540.31 2547.84 1090.47 2467.86 2120.12 4710.02 5281.29 1306.41 1454.9 2658.09 2746.72 1935.51 5888.12 4948.83 9891.72 3793.71 5581.75 4655.27 5298.5 9869.45 8183.77 4612.81 4295.45 7015.49 6172.65 14921.4 6981.09 6836.73 10601.08 5410.39 6040.51 3900.56 5490.26 5397.62 5902.02 3822.7 3009.13 5471.61 4822.72 5486.44 3807.22 4788.42 4272.86 2345.82 6098.01 6532.37 3649.48 4363.05 6403.9 6384.14 6646.2 4834.06 6616.51 6118.07 6955.31 6942.58 7089.26 6799.42 7187.39 6948.3 7013.25 6956.73 7092.63 Cyanopeptolin A 406.19 355.66 389.83 447.27 1020.31 1073.99 1294.65 1145.42 1079.74 627.19 844.61 691.94 719.23 517.95 523.35 503.89 273.26 678.25 344.04 453.32 432.36 536.72 581.85 340.17 425.64 924.35 485.41 429.39 608.29 422.26 278.25 1036.27 7337.33 2958.8 1772.79 2053.5 2815.82 2814.79 1707.16 1482.72 5534.96 4310.43 1525.23 1551.66 3816.89 2277.67 2713.91 608.2 478.34 1678.01 2510.78 2659.76 1386.88 2496.95 1458.55 2469.46 1008.76 956.72 2317.12 1883.22 716.29 1368.11 1785.72 1527.55 778.55 2883.14 4596.55 1723.81 1504.19 2666.71 2915.96 2750.91 1708.62 1898.47 2645.54 2324.41 2847.6 2719.37 2707.1 2768.84 2683.87 2637.42 2767.07 2769.54 Secologanin dibutyl acetal 12371.35 4342.21 6129.43 6872.71 3657.39 5403.3 6110.2 7761.84 6608.14 13750.98 8230.59 2862.06 5194.43 4426.19 1132.59 7996.28 10694.28 12571.68 9083.47 6125.97 6971.7 3963.13 7706.31 3520.75 10533.88 3961.23 10398.84 13414.35 3297.11 10113.15 3003.57 5733.4 6500.3 7447.71 8362 9815.58 9929.07 8195.24 14042.79 1888.3 4053.49 6840.46 10165.37 3974.19 5272.3 3782.28 7437.02 6683.86 6379.05 5654 9858.88 3714.62 10546.78 7681.86 1290.01 8650.84 10426.81 14494.53 12686.85 8815.2 15377.43 2306.58 13097.43 8813.36 4440.24 9329.26 2921.85 8349.09 5834.45 4320.71 9376.56 3382.08 7597.64 5384.85 1098.6 5429.28 6436.05 7709.1 6292.99 6737.8 6071.86 7069.6 6742.71 6343.63 [(4E,10E)-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate 25924.66 14305.36 25029 16317.88 17653.51 14197.28 2039.86 1093.15 17259.02 34480.34 544.23 13870.63 8761.94 23219.99 9093.79 22892.73 29407.08 3468.88 21274.98 13744.55 29416.82 12096.53 17920.32 10160.47 17878.32 8581.18 35674.24 22695.71 9824.23 18110.91 11896.93 8030.92 21285.75 22027.05 4990.17 28559.03 26633.69 25402.43 39539.44 22052.53 20224.07 9011.69 4645.15 16180.45 26535.27 11265.92 18176.04 20747.87 10591.8 2481.07 24005.84 16537.12 33994.06 8985.8 16773.3 11815.91 33578.54 36700.93 35926.57 32299.69 37195.45 9219.27 16885.47 27461.91 17012.84 20415.94 7221.01 12654.02 13375.82 16749.76 23325.3 34660.55 32727.55 14619.01 31838.34 16063.83 4600.65 17494.08 17461.1 17508.44 17566.52 16237.26 16198.33 17736.09 Caffeoylhawthorn acid 9335.26 21167.75 11729.4 25963.54 32811.48 22899.72 29304.24 24324.56 17355.79 29807.93 27400.48 26323.74 35096.28 30231.97 28824.9 43508.04 23068.35 29710.03 39013.27 31652.56 21064.86 32298.23 23348.02 33122.93 25436.55 26587.3 23998.3 32978.79 35733.28 5916.66 29659.52 39285.26 4230.63 26505.5 31488.59 8420.04 6640.84 11727.28 7688.95 13800.31 33399.16 35561.19 23432.81 1898.47 32813.15 10027.26 8293.55 29113 3697.1 50511.66 23814.05 24914.52 18724.01 10664.4 24518 9155.43 18653.34 25661.18 23327.01 14549.34 19037.7 20815.74 6113.93 35076.49 5877.79 21497.67 21035.79 27948.34 7825.35 22635.26 21292.09 9213.56 28850.99 13796.3 25462.47 28287.52 27007.64 27769.5 28241.97 26923.11 28007.91 31524.58 20339.3 27866.2 prostaglandin G2 2-glyceryl ester 7882.72 8689.35 11344.26 17928.93 3995.04 6122.51 9576.56 11477.89 10457.48 14835.71 7783.55 9692.62 10092.41 10167.96 13058.11 20075.08 15624.45 15548.22 15178.52 8495.96 7250.41 10733.93 6183.62 15914.28 8696.12 17073.08 7496.39 10785.88 9092.98 10842.94 6800.22 5405.57 9110.06 15154.9 14531.36 9973.7 9228.63 15083.35 11252.19 15680.94 9790.18 8904.04 9700.45 12248.45 7052.79 15434.92 5008.39 7997.41 7632.72 3450.17 10044.78 13843.99 10605.5 10301.46 13024.74 10914.59 12028.9 10299.06 12092.56 13910.65 15849.3 11817.05 10661.11 13335.93 8387.74 7970.88 9087.13 9087.11 11759.7 9303.74 11601.77 10534.12 4200.83 18376.96 9535.82 12449.39 12383.59 12411.72 12225.07 12364.93 12220.2 11797.28 12210.93 12215.81 PG(a-13:0/18:2(9Z,11Z)) 11131.96 19453.31 13457.09 19100.96 20952.24 26179.22 11438.65 8618.11 10782.79 10904.94 11523.46 17802.95 30083.13 26193.03 15178.79 17381.6 15308.42 27951.58 22605.94 24780.06 20603.27 15390.64 17645.03 8833.36 9666.66 19480.98 7048.29 9922.83 13761.68 15170.42 26479.08 32644.13 18723.45 22351 10532.77 16177.45 14930.69 31700.54 16736.4 15239.52 45268.58 46782.82 18690.63 17533.09 34944.58 26204.32 25377.73 27070.17 28474.72 72118.03 35153.1 42554.52 22314.75 30530.76 14726.29 31715.46 19044.98 14047.14 12665.9 14511.7 13215.25 9351.24 16602.2 13863.49 10270.39 27238.41 47201.01 17321.03 13219.71 10164.25 22076.46 15317.32 15999.21 45769.72 30062.95 26089.69 28823.85 29069.28 29081.56 28561.88 28576.72 29069.37 28610.65 29093.74 acarbose 7IV-phosphate 1731.53 471.2 383.94 447.84 640.19 1612.72 941.56 459.55 1058.75 1429.53 8379.29 1327.78 4392.78 11089.22 2278.47 2492.32 2297.85 3625.1 1513.09 3431.64 2759.87 691.24 1333.73 10215.72 12195.13 12231.88 506.91 496.68 13670.7 590.75 429.07 2198.08 2578.61 2367.88 1147.17 2251.58 1834.24 3021.8 1878.06 1891.87 3869.69 4411.2 2323.69 1942.26 3193.21 2103.53 2463.75 2821.39 1866.7 6108.55 3494.98 4534.24 2468.8 3382.55 1490.28 2910.59 2192.49 1610.28 1700.33 1853.24 1565.04 1328.91 2576.68 1830.26 1764.52 2665.28 3982.22 1980.19 1606.97 1722.91 2245.76 1728.62 2673.26 2765.73 2861.93 3121.09 3152.56 3343.89 3129.09 3147.69 2932.38 3205.58 3206.91 3197.82 2-hydroxy-3-[3-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-sulooxyphenyl]propanoic acid 19504.67 19913.66 12423.71 13267.48 15035.84 17577.63 15353.51 18925.09 19354.32 19545.38 12008.38 12439.22 11033.25 16567.22 17934.47 17497.53 16346.15 18339.77 16432.06 19915.58 17149.39 11976.64 10471.68 18103.8 20162.61 17370.64 18153.89 19614.24 20325.14 24323.83 21138.7 16504.43 14610.03 14215.58 14530.06 18404.11 21525.31 19847.86 19015.37 22410.39 27253.79 20315.24 17492.8 18416.87 18812.08 16141.06 21258.34 20289.98 19352.8 16342.85 17567.45 17114.09 16149.6 15575.78 17754.47 16042.66 11623.45 11097.31 20293.65 14343.32 13894.83 14033.47 17551.73 18959.1 20587.69 18658.42 22085.74 20439.81 21995.98 21727.65 23712.63 21581.45 21658.31 16464.82 18372.28 19299.33 19079.52 19697.84 19309.48 19058.14 19072.7 19312.55 19151.8 18504.88 PA(14:1(9Z)/20:3(8Z,11Z,14Z)) 757.2 2140.77 1460.01 2041.63 499.43 545.16 3309.62 806.83 1546.04 530.48 1369.82 1589.6 1307.52 544.11 1505.92 361.28 1528.81 1611.59 1814.25 1310.76 835.03 1506.98 1898.27 1454.15 1188.44 566.61 1306.75 1774.69 337.5 1156.25 1024.61 5845.51 1003.5 7968.45 3701.37 11897.91 3620.16 1090.76 5098.48 3048.37 1611.68 5871.35 9259.43 1251.77 6959.63 339.44 8306.42 11429.61 9074.34 7088.31 3412.21 9709.84 18045.67 6767.08 4802.39 6686.35 5842.71 1569.21 9503.33 671.92 10424.6 7330.31 10330.37 24548.26 8689.32 4648.98 3596 5958.84 3999.62 8896.92 3860.45 5703.85 4368 1024.03 4032.55 7709.58 7704.54 7706.84 7419.16 7500.74 7555.2 7467.15 7723.28 7473.55 gentamycin C1a(5+) 41676.86 53423.08 31236.23 32783.61 41748.32 41401.5 24118.44 27533.93 32749.17 37111.03 25922.86 30666.71 33042.87 40176.37 33899.37 32079.72 41617.03 43829 37877.32 40067.18 35864.95 41745.18 39024.96 27123.39 35101.95 51733.12 35645.41 35979.24 44064.48 51147.38 35039.96 34024.97 51263.17 43594.27 32103.37 44833.54 44544.9 63308.77 35311.2 47444.66 35546.05 35450.56 30039.71 39201.11 32430.7 1684.27 34454.71 34397.46 21567.75 33881.26 34286.76 38074.96 27843.83 29040.09 30623.86 35664.42 34520.87 28227.65 31727.79 38013.33 41148.5 31911.39 32073.74 34718.49 27644.57 25394.84 34985.37 28677.16 28318.37 31581.23 32002.43 34243.15 26507.41 29991.72 22159.91 31282.86 31204.08 32152.91 31004.92 31007.46 31277.52 30995.03 31277.72 30995.36 (2Z)-4-[(1S,3aR,5S,6S,6aS,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5,6-dimethoxy-8-hydroxy-3,3a,4,5,6,6a-hexahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid 6171.69 3117.06 2688.92 2095.23 3268.16 2281.96 2741.99 3847.84 3742.52 3219.68 2939.9 4386.46 641.72 3473.01 5165.6 2419.67 6244.24 6018.92 2265.28 3044.04 4657.81 3073.89 4077.99 2239.7 1472.69 1735.21 3146.75 3534.86 3697.85 5740.25 2982.59 2320.03 5668.61 2568.92 2028.94 1455.4 5970.34 2631.43 10286.44 5502.63 3150.89 1046.78 6906.72 2960.57 2159.05 3166.87 4529.19 1502.39 2418.82 2428.12 2572.01 470.65 2930.65 2059.27 2007.33 2752.32 1069.57 2767.28 4914.15 6971.11 6204.42 3284.72 4480.96 1611.02 6024.7 2615.04 2796.31 2618.2 1277.39 2692.16 1484.7 724.41 1618.69 666.81 2267.21 3088.62 3429.48 3087.81 3313.65 3998.83 2920.12 3298.28 3220.98 3111.73 PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 280.7 287.23 715.89 5927.95 62432.24 76323.04 31481 1630.09 287.43 805.14 825.73 250.68 3087.63 416.29 1238.31 361.76 969.25 846.61 612.61 233.61 369.57 184.64 784.06 868.15 747.32 460.93 203.15 582.78 299.74 508.91 775.89 15790.58 139.38 379.17 1679.92 2202.84 183.5 1907.51 1674.38 1247.14 19016.24 348.95 522.78 1117.01 344.03 293.46 1911.85 996.78 1607.2 580.78 560.08 531.8 346.04 662.97 1757.87 2685.64 1421.6 1150.05 1478.61 1441.05 1320.46 861.24 1372.5 816.55 1113.58 446.96 1349.66 1451.53 1282.4 1386.67 1575.37 248.57 420.19 1398.92 245.27 3609.19 3602.33 3425.02 3496.32 3504.07 3614.43 3654.14 3015.17 3506.59 1-Ethyl-6-fluorobenzoimidazole 13521.54 8053.94 5691.93 10774.67 9239.17 19204.67 7648.78 6203.38 11255.45 7824.07 6767.96 4039.54 11657.78 9863.93 13645.13 8349.04 11645.22 8051.69 10987.67 14054.93 8691.77 5383.65 7301.5 9774.46 28401.76 10464.23 12278.72 11151.09 11868.62 10807.18 6712.26 7315.5 11807.3 10235.61 15907.25 5633.61 8073.48 13627.59 9850.13 18566.06 11011.03 13040.16 11921.57 32189.21 8868.35 24003.54 12826.11 7682.88 10403.73 54797.05 10387.25 4334.99 8681.37 12575.29 7408.82 7410.78 9860.4 5815.23 14201.15 25159.91 16190.23 8092.16 12024.76 19258.86 17682.61 7012.38 14233.14 13913.12 7726.45 18763.78 7604.04 9009.12 10376.94 10337.03 6841.6 11292.41 10713.36 10189.2 10555.5 11384.16 10507.32 11297.01 11482.36 11408.6 Sterequinone C 145575.77 144987.27 186074.21 136726.47 166019.31 66874.18 98355.39 174116.96 159928.06 130414.69 21266.43 57233.56 88646.4 117895.39 109326.57 103883.12 87086.19 110279.22 136539.76 91750.08 134025.45 43197.14 69404.15 145421.96 177645.94 167188.46 169734.25 173528.94 194640.76 106577.81 118037.72 143582.49 64120.25 159349.36 117456.93 192509.2 143646.68 38180.11 123099.91 102514.14 77752.37 100325.73 136232.98 97638.77 132072.89 76266.6 156924.07 138423.4 69242.43 95947.22 80632.45 98748.64 119331.44 72290.44 88787.03 123180.46 114246.25 91878.32 108908.69 50181.15 100414.96 99843.22 103735.45 102014.65 124437.29 117219.12 99575.84 165513.83 134832.43 160332.51 110110.75 97440.65 45735.35 68935.43 100394.04 113101.85 112341.79 113689.75 112050.39 111068.46 113101.6 113112.76 113096.47 112359.52 PS(15:0/22:4(7Z,10Z,13Z,16Z)) 588.88 942.22 878.18 353.57 591.88 1497.8 571.19 1212.86 1217.15 493.84 1385.55 328.24 880.88 681.76 966.1 443.25 525.61 348.64 513.04 484.36 319.81 702.54 319.64 468.47 396.78 470.75 612.83 447.13 615.81 747.59 954.47 391.25 527.98 1078.57 1679.88 1298.57 1058.57 1178.67 1039.75 2140.25 736.02 1267.12 1729.74 3172.17 2772.48 3364.29 3164.09 2881.64 2711.33 1619.44 1499.21 1664.66 1995.79 787.72 796.32 1616.88 1725.37 740.58 1723.65 2022.56 1803.88 1771.29 2251.7 608.18 2053.2 1663.72 982.68 1585 2497.54 2397.06 1592.89 3051.64 2252.14 1957.05 967.55 2105.92 1840.75 1903.28 1983.71 1967.48 1966.2 1852.46 1838.55 2007.36 Arachidonic acid-biotin 398286.74 221520.94 41208.88 65841.01 1503244.15 349582.73 92345.08 539323.1 460182.84 427167.49 100404.3 350605.99 131155.52 122097.49 426982.49 471613.59 118912.78 634232.89 667272.48 449251.64 561690.89 282748.27 72787.42 113348.67 708993.41 487126.68 224573.15 111507.99 673990.93 246218.73 326891.24 1298825.25 417724.62 164999.98 159881.77 428931.43 359272.37 180223.89 57464.47 98444.8 238425.01 831723.96 166529.03 83259.3 809948.56 138614.3 349420.27 353514.61 700059.62 662663.9 414201.12 240925.54 132724.54 135699.66 641632.34 294837.51 45886.93 78557.16 687356.4 278886.07 94894.91 91966.32 408450.32 174724.75 109666.36 730627.4 462776.73 183001.15 198219.72 471912.54 227766.67 287851.6 174202.91 108436.95 98347.24 362455.87 370676.35 365758.12 362392.14 362418.39 364767.29 362455.59 364757.8 360671.26 IAARh123 579.56 1280.39 2932.89 3852.28 1741.84 1208.35 5306.56 9623.09 8199.22 2183.78 647.17 1650.76 769.28 4096.84 9635.43 1665.85 2068.51 1649.73 2157.37 1794.91 1087.57 2439.04 2806.58 2484.6 1042.59 1922.8 8804.9 2685.4 2928.85 8375.59 1214.13 3280.15 8128.16 22165.63 11437.16 24111.95 17943.52 5647.81 19251.09 13234.43 10045.4 15713.13 20069.02 17625.57 9518.78 5566.95 17986.24 14685.57 5734.21 12361.76 4601.86 10665.02 16361.96 9201.86 15643.39 17000.07 16984.71 13948.26 13475.77 4768.77 17972.63 13775.4 16866.97 17803.29 17702.85 17893.48 12654.39 22740.27 15320.48 17962.73 12996.83 16975.38 7382.18 8605.63 12898.03 16929.02 14480.61 16260.35 16268.77 16253.35 16240.48 16795.03 16372.1 16316.26 dihydrozeatin-9-N-glucoside-O-glucoside 1869.6 3339.54 1989.98 2139.22 8385.18 5556.75 1376.67 4944.36 3064.05 807.23 3271.62 938.04 769.65 5706.93 4192.64 3392.73 1326.87 2549.14 1757.08 752.61 520.23 6603.6 3244.39 3613.48 4541.39 1800.14 2794.96 3802.29 4382.81 1764.31 1478.03 3843.13 2809.13 2280.66 5534 6168.51 2026.2 4559.57 1312.96 7382.76 1748.6 4903.95 9707.64 6723.87 4126.23 7771.76 6852.97 1920.37 4543.8 1786.73 7144.03 4086.92 3720 3485.93 6160.98 4056.07 3309.15 8701.54 9282.73 974.73 3656.97 4257.28 8012.51 8185.62 5151.9 4773.18 3872.78 4097.01 3112.6 2363.92 7185.55 2737.73 5955.56 5433.92 8131 1813.3 5159.32 5716.46 5560.04 5202.38 5556.11 5500.53 5034.74 5487.85 6-Mercaptopurine ribonucleoside triphosphate 991.87 5195.04 14303.05 15711.17 1789.86 37697.71 22106.45 6910.24 5692.83 4618.01 10210.06 9043.67 10830.01 28670.67 817.02 8504.68 13934.66 1633.36 24870.72 6153.62 10954.02 49987.79 23062.33 19225.44 1623.83 8717.31 24535.03 15536.99 10183.05 13999.03 4906.43 42463.36 5825.55 23428.64 49354.36 4902.8 3420.18 15892.16 31851.09 11636.24 33031.56 20208.76 28818.75 32260.69 7717.07 13928.8 6371.11 7207.79 7254 14366.71 6495.27 359.12 30373.91 28218.42 15643.88 3917.98 18444.77 24643.75 1846.39 28167.18 14560.72 20078.96 519.47 15764.01 9520.15 8302.26 6525.69 6638.94 8048.37 646.4 1094.61 45272.1 22762.54 40305.61 19983.18 23788.61 24039.86 23558.01 24055.57 23556.02 24023.45 24993.13 23584.02 23556.09 Mallophenol B 1214.56 5739.3 2368.92 3229.22 8949.49 5591.5 4874.34 12755.1 15571.39 6803.08 3173.14 2775.57 3588.72 1922.48 3127.26 5819.13 1574.91 6119.4 5841.32 6935.68 5190.11 4686.18 3458.49 3748.13 11962.66 2161.35 4745.92 6998.59 4153.07 2463.26 1719.96 4440.23 2126.53 4823.44 5861.39 6192.41 10662.69 4946.37 1948.1 3462.51 4109.29 7894.33 4118.25 2382.76 9062.01 4681.52 9167.48 5924.88 3090.74 2138.6 10617.78 5170.39 4585.18 6253.5 7094.07 3549.36 2202.11 1032.7 5524.78 3519.31 3704.57 2580.24 3289.2 582.09 3255.25 7400.92 7598.01 9259.04 9883.05 8069.58 6363.24 4957.79 5349.5 5235.92 7517.81 6131.14 6130.09 5953.54 5820.05 5840.96 6205.65 5681.98 6011.27 6163.86 6'''-Deamino-6'''-oxoparomomycin II 594.04 291.34 705.5 1047.66 333.42 1673.98 701.42 421.11 925.6 321.21 875.98 1060.25 769.93 551.48 626.67 1066.14 803.65 616.32 337.33 1422.5 567.36 1472.88 1206.23 576.95 997.26 441.57 706.26 1228.67 539.24 533.27 734.01 916.8 997 832.49 1565.74 2796.63 1369.93 1801.86 2357.64 1106.3 2156.88 4880.21 1611.33 591.96 1285.3 2244.28 1719.2 311.56 914.39 804.46 1544.3 1957.95 1799.18 1488.08 2240.86 1277.97 2086.78 3562.77 1952.99 1298.83 1223.99 1478 833.68 2283.25 1367.2 409.24 505.99 1376.02 2366.09 2143.89 530.27 949.39 2053.21 498.23 1247.29 1871.55 1631.8 2100.07 1948.18 1675.55 1806.98 1217.06 1821.24 1648.28 Methyl (1S,4aS,7aS)-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate 24819.18 28207.56 13984.61 17915.66 20439.29 29929.01 28818.56 23577.08 30107.48 31376.47 22599.8 22107.26 22659.64 27955.89 24716.01 25056.28 21719.1 25362.74 29765.75 16414.48 25431.16 18630.27 18194.08 23938.97 24080.08 25445.74 25397.99 23461.91 25493.41 12620.97 28437.72 28426.55 23222.64 20478.36 19414.14 29486.23 29426.99 33787.49 26198.81 30817.04 24852.93 32845.62 24577.32 26350.48 29190.78 25212.79 44829.29 27540.32 25637.97 29763.73 26738.09 26306 22237.01 26641.51 24429.2 31607.97 14233.03 17603.57 38947.45 21445.31 20287.08 21766.3 25105.62 24517.31 21077.65 30143.83 28085.58 24932.88 24531.7 28280.3 33874.94 31223.77 27185.48 29046.72 28077.11 28654.47 29301.53 28935.96 28945.85 28946.52 28646.22 28645.79 28043.84 28778.76 PA(15:0/18:3(6Z,9Z,12Z)) 199.59 80.85 110.59 15544.35 29253.96 47995.06 58640.56 118.22 84.55 93.21 290.81 173.75 12193.12 133.18 371.99 4097.58 871.97 1385.96 199.33 126.6 90.22 200.8 174.56 191.8 466.81 236.36 1035.07 71.97 1609.96 103.58 192.58 204.85 202.28 681.89 147.35 137.6 777.18 539.88 2223.95 1004.23 15244.35 512.3 980.63 1284.62 106.28 10460.47 845.54 1912.04 1036.11 232.04 552.6 1173.46 122.28 477.76 1144.53 1314.12 116.24 114.07 950.09 456.79 1103.07 286.97 186.01 1651.79 94.42 146.91 293.23 1110.56 83.49 281.49 212.56 1472.01 1145.22 2074.72 108.11 3924.51 3783.37 3925.26 2698.54 3910.36 3793.63 3781.42 3875.19 3938.26 Hoffmanniolide 457.57 1928.63 756.76 1029 400.76 1126.33 5264.56 673.03 1389.86 3614.98 482.47 2938.61 462.99 1098.1 1024.31 1261.94 438.91 12705.04 652.56 1097.63 2071.23 2002.87 1068.17 869.68 507.43 1043.75 5668.2 879.36 941.7 858.12 624.23 606.8 639.42 9980.02 11665.9 9464.42 8919.99 8776.24 2629.86 6566.87 6059.69 7098.39 7911.36 6095 14697.42 8713.25 12547.73 8524.07 862.64 6813.97 3242.96 9301 4495.36 8720.37 8502.13 14771.39 7468.65 6434.7 8055.13 4705.3 5536.14 4859.35 9701.7 9066.28 6197.16 7285.28 14014.55 6187.33 5419.46 10907.51 6961.82 5123.1 3241.85 7322.93 10319.4 7226.8 7653.31 7504.1 7299.76 7507.9 7228.15 7173.81 7517.69 5585.72 PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2297.43 1863.76 693.18 1690.04 5123.16 5429.91 2896.69 3113.34 2774.16 2607.48 1558.51 1300 2660.32 1053.35 542.17 1104.11 515.32 811.94 1346.48 1137.24 3737.59 1306.24 859.95 4181.09 2931.81 1012 1017.48 1622.55 2730.81 1164.77 1585.68 1325.42 506.51 7746.1 10089.89 8703.42 6618.11 6121.97 6949.15 7101.45 8224.24 10117.6 5458.92 7157.88 8321.54 7045.26 5728.47 4654.82 5599.33 2096.38 4397.92 3582.93 2400.59 1463.27 5714.8 2764.64 3576.79 2470.5 3296.87 7482.27 4791.75 6443.37 5621.36 3937.51 4070.29 3450.86 7361.8 5383.56 3992.85 5830.9 5557.98 6307.09 7395.03 37646 2575.91 4832.45 7395.95 3884.52 2490.49 5097.98 4240.49 2617.78 3845.88 4300.71 4057.66 4710.08 3573.29 5053.46 4488.28 3710.29 3509.38 4172.87 4564.39 4322.07 4278.2 4263.31 4698.06 4814.97 4557.4 4463.42 3465.17 3094.58 3165.01 3756.2 3298.5 3414.25 3683.74 4003.37 3680.83 PA(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7171.57 670.57 5091.82 17599.39 2615.63 2344.16 102714.41 4330.63 661.33 421.65 637.16 1337.21 13764.37 6580.12 6958.1 10785.21 593.33 3754.47 15215.82 2573.01 21174.52 416.97 4724 561.05 8265.29 9426.59 763.47 5935.45 10117.37 741.05 7574.17 9064.48 5872.04 9734.88 9231.21 15489.22 10117.58 9066.04 8984.48 9628.32 11809.92 2676.8 8355.65 5430.57 8448.04 10715.48 10619.65 8600.53 9258.48 14019.31 7048.15 6072.26 4686.36 17053.42 12899.38 7895.89 8004.18 14563.97 9573.14 8448.66 9551.02 8597.61 12466.5 12922.56 1818.05 12599.36 10890.5 9216.66 10704.45 12026.14 5423.99 5947.09 7953.31 13783.94 5925.45 11915.39 11586.55 11857.58 11366.91 11840.22 11829.2 11364.41 11904.05 11434.23 Benzyl trisulfide 14918.61 15309.94 19078.07 17525.98 15293.06 14851.46 25671.93 19057.49 18011.03 18437.95 19409.76 19364.56 17784.33 17284.06 19328.51 15500.79 16949.6 14868.18 15881.88 18264.39 16709.86 20585.1 18977.28 18242.05 14847.33 18857.46 15681.88 16853.29 18888.48 16625.32 13106.46 15742 16337 14348.86 19565.24 17624.46 16660.77 19760.09 18084.33 18682.96 18572.14 21236.76 18483.43 22469.34 18526.57 18388.45 17167.12 18530.39 22071.78 15730 17380.25 18915.9 17888.73 18689.3 17980.1 18678.51 17244.89 17386.04 16955.34 18201.28 17570.25 21279.89 16115.41 18775.95 20980.71 15094.78 17313.46 18219.53 17720.43 20455.69 17445.01 15113.13 18374.81 18947.17 16282.4 26276.09 23447.67 26231.02 23762.49 24324.99 23216.86 26675.41 26414.24 24105.69 27650.25 23368.47 26454.94 24246.82 24345.3 22879.53 20974.8 26067.97 25694.16 24266.32 23439.62 25854.7 22890.28 24969.9 21822.03 24342.55 18487.42 18101.71 16669.96 18200.53 17980.56 17985.11 18156.43 18320.59 18331.13 [(2R)-1-[(Z)-docos-13-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate 5753.9 5914.73 8321.51 11648.14 6644.14 7041.93 7531.09 6590.56 5530.04 8625.95 10471.88 16057.68 11083.46 10012.65 5228.98 11551.83 618.16 5215.77 11211.19 978.05 5980.91 6471 9161.16 16740.55 5033.04 5614.38 10769.31 12202.11 7902.89 7678.93 4836.6 14287.04 3688.87 9385.98 7279.73 7098.19 6767.76 3799.62 12571.95 12296.53 4616.77 7135.76 12887.87 10094.11 6499.03 9786.26 2241.85 12947.08 16330.6 13403.8 7681.19 5420.32 12553.83 14200.18 4487.47 2289.09 4681.22 6224.08 4883.76 2034.85 8761.75 9534.13 2927.05 8221.75 9534.49 6043.67 10112.55 13701 14002.56 5136.45 6157.43 9985.73 12860.82 11916 16034.11 8501.95 8322.89 8339.53 8304.22 8330.18 7124.25 8566.14 8530.23 8579.63 Cyclohexene, 4-methyl-1-(1-methylethyl)- 69929.27 72105 60873.95 63298.54 66601.26 70572.34 63456.96 75797.12 72862.41 75184.29 61195.16 49374.11 46576.83 68287.62 67414.92 64944.47 70082.88 60353.9 70281.82 69679.68 62539.51 59469.22 56863.98 64211.21 65166.84 73082.37 67132.93 67418.95 68982.32 78314.16 59268.54 66975.88 60223.1 64363.74 66806.36 78631.38 70866.94 71713.46 76650.94 69774.1 78653.67 69101.8 66135.97 70500.1 70593.4 53135.16 69206.34 74758.79 63547.35 60366.81 62478.6 78694.53 61152.43 54824.7 63110.37 67603.56 65789.63 66472.24 72221.62 64910.41 75010.65 67003.93 69054.85 61683.25 55518.89 62961.88 72038.98 71572.39 68616.88 67358.25 68160.44 70348.99 71338.23 62933.86 62019.01 69490.37 69579.96 69513.52 69505.13 68952.83 68925.4 68923.85 68923.62 71962.24 (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate 6520.17 6809.7 6722.61 5130.98 8300.66 2902.64 1571.75 2434.63 4514.01 2228.05 2613.17 4170.33 6978.14 12696.94 9892.71 7085.59 8706.56 5035.09 9158.64 2906.39 4891.6 5352.12 5542.63 6037.27 6636.76 4715.97 4394.29 6389.99 8500.44 10317.48 3483.71 5643.76 3685.47 3575.45 6555.91 7102.22 3550.81 3103.31 2968.53 3707.43 5615.78 4630.35 2117.6 2688.47 2026.29 921.44 2770.31 4177.14 2275.41 6642.4 1662.06 4405.86 4093.17 5178.44 2065.79 2772.56 6383.82 3116.95 5241.16 2613.58 4998.18 4293.35 1470.53 6275.53 2731.69 5355.9 5849.72 4278.88 4376.99 2639.53 1850.73 8314.12 2476.73 7111.52 4535.25 4117.72 4820.56 4904.55 4635.58 4125.24 4894.99 4657.32 4733.26 4746.5 N-di-Demethyl roxithromycin 1107.22 1603.35 2470.18 548.72 1402.9 1845.25 2293.81 1596.73 3432.94 635.36 3740.35 1232.29 773.97 474.96 1147.37 408.46 6488.37 601.4 6304.7 2350.02 2200.96 586.68 3281.56 619.85 496.15 458.19 2918.16 783.88 532.03 2684.4 3728.74 3724.2 974.94 8429.12 11555.28 8865.58 12009.08 24753.3 9128.51 11832.74 17698.55 20231.54 9537.96 18472.63 21017.92 13113.82 14304.96 9419.2 9301.42 17389.2 25267.28 16415.93 6730.63 11731.86 7937.43 22493.56 4020.48 11478.53 10449.93 23709.72 9257.55 8976.78 11147.77 968.3 4894.26 18877.07 25545.63 11314.23 15678.11 8017.29 20845.46 10172.82 6454.25 11893.94 8296.43 4521.6 9833.51 5265.43 4620.62 4911.9 5170.62 4717.9 5539.28 4910.49 5346.03 5015.31 5237.53 4666.81 5000.74 5988.13 6373.92 3553.68 5456.61 3989.17 6121.5 5682.06 2749.63 3517.07 3826.24 2316.37 11614.19 11700.24 11697.7 11343.77 11705.78 11362.33 11383.84 11312.1 10770.25 3-Demethylubiquinol-8 15351.08 7699.33 3730.14 2950.68 1344.68 1923.53 487.4 16203.73 560.95 7592.94 7485.54 8879.15 7381.04 8607.18 776.25 356.96 375.65 6487.76 12659.11 923.04 9273.83 787.47 4756.23 6176.24 11251.67 6111.76 495.46 393.93 8278.36 3322.35 2793.43 7317.99 4297.66 14492.82 2764.55 10080.35 11580.69 2028.78 8000.82 2097.52 3603.69 20743.57 4103.69 3767.35 23051.32 5542.19 7572.32 3182.72 14014.39 5077.2 29740.47 4715.71 15376.16 4647.07 8919.12 8248.62 6267.8 2497.58 5222.1 1182.63 10639.84 9503.94 6875.24 1243.41 369.7 14186.11 4074.39 3584.6 2301.31 16119.13 11537.72 5258.93 6923.96 1017 8437.89 10008.82 9512.89 9816.08 9038.29 9805.26 9517.64 9477.52 9796.51 9828.86 desferrimycobactin T 1853.36 3883.47 3767.92 3474.39 2143.07 1655.4 2965.81 7267.79 6404.92 2858 4026.39 1071.37 3735.19 3445.23 8850.01 373.56 3643.46 5043.87 897.67 3405.6 3906.97 1397.2 2799 1725.27 5248.2 4090.84 1777.02 3136.07 4192.76 1886.06 1078.99 896.25 3137.19 4047.4 5597.07 3361.83 3708.94 2553.96 1307.08 1894.51 8183.37 1837.94 4773.18 8650.89 3250.83 1019.83 4262.29 528.91 1124.41 1671.83 4056.7 3604.89 4507.78 5718.98 6272.63 8653.03 7830.67 2381.74 6808.92 6472.92 3604.1 2205.28 9784.77 6041.01 1724.64 4730.22 8684.98 3074.25 2901.39 5375.41 2151.67 1791.72 1909.6 2236.6 2106.06 5185.82 5582.25 5184.68 5090.6 5263.03 5248.72 5040.67 4418.64 5007.03 NCGC00380715-01_C27H38O8_9-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate 12895.65 17640.58 11310.95 12921.61 15721.28 15225.99 7793.11 4920.86 13121.48 16122.53 2218.92 12408.86 5777.37 19302.78 12208.78 12972.79 12739.38 10143.56 9428.13 6674.51 13126.45 16034.63 7070.36 8959.31 12068.88 14397.34 15185.48 10800.31 9712.03 11038.22 11757.33 6849.87 12955.48 6831.68 16830.34 16163.74 13634.99 23085.47 17372.31 14924.58 10875.21 8750.51 17928.55 14007.6 12710.12 11138.11 11266.33 12234.09 7618.28 7808.25 20156.38 11665.86 12095.57 12974.7 15010.2 11564.7 13517.29 18409.01 16448.03 14243.15 11672.73 15584.76 10503.23 17892.75 14902.88 9258.49 11130.45 11361.8 13830.13 14664.08 14331.52 10151.9 11072.95 13507.21 18325.54 11988.01 12148.12 12012.13 12008.08 12249.89 12878.28 12071.83 12216.4 11893.28 [(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate 729.75 435.24 9185 289.95 253.13 320.07 912.61 1437.26 7596.87 787.77 5581.96 12738.92 6665.27 2419.98 1099.42 655.2 233.36 571.56 2469.1 1297.99 839.6 7425.53 7602.56 356.89 299.51 254.4 6444.35 9088.79 8279.04 1004.05 4243.67 10356.05 663.68 289.18 1285.76 1081.09 783.76 2037.53 850.57 744.66 1306.36 3778.27 1177.44 1022.28 2002.58 1075.23 3113.63 834.73 652.41 5245.33 2188.52 1822.31 1089.9 1074.9 1243.69 2018.94 882.25 571.47 664.9 714.11 600.93 248.52 382.68 264.8 691.78 3003.33 4459.24 918.05 805.18 611.58 926.58 1154.22 1227.54 4121.41 1279.45 865.08 2214.29 2166.72 1891.65 1990.61 1959.59 2214.73 2552.28 2260.57 1-Heneicosanoyl-2-heptadecanoyl-glycero-3-phosphate 972.14 397.07 3554.94 1810.77 3642.75 1991.07 2091.59 365.13 876.5 635.39 801.61 2547.13 1796.82 904.85 1783.88 1473.57 1571.53 1247.19 566.47 1396.04 581.64 214.02 792.64 251.8 1444.05 1097.9 816.27 916.09 1677.18 1380.24 1292.41 377.67 458.7 9860.61 1624.61 14404.02 4053.5 1097.19 1695.09 226.84 764.05 2038.94 3900.79 211.37 6171.02 2125.86 4171.87 10205.85 27707.16 5755.08 9105.12 7529.68 23168.86 8708.78 7277.19 1868.09 5015.2 263.44 5040.26 337.19 9435.71 4778.24 7074 7181.37 2524.28 2328.32 238.61 689.33 943.43 11330.29 2496.41 939.54 4441.61 405.4 3716.57 4665.06 4733.68 4652.23 4727.17 4504.61 4646.59 4646.4 4649.16 4770.66 Gerronemin A 8422.13 2529.82 2522.46 59171.83 273236.93 348917 213431.64 14110.54 1273.69 7962.63 2603.89 8119.35 37134.35 2579.85 3091.56 29236.78 6909.01 1747.44 6718.79 3958.77 2345.62 970.77 5255.17 4713.75 9091.73 1490.3 12959.9 3071.98 2116.84 1773.28 2350.7 2717.89 2651.43 7381.24 4624.41 8852.72 5096.54 9547.73 6601.13 4474.36 150057.35 17558.77 6427.58 2837.24 2217.3 23400.45 5552.97 458.56 10072.97 820.6 9642.76 354.06 9586.83 7549.62 12361.76 510.99 10217.16 3566.42 7466.27 20278.8 5782.31 12001.37 9458.73 11228.51 250.08 9055.49 322.04 6859.61 4734.37 7699.48 571.75 8863.43 5511.91 7751.77 14563.98 47655.6 47654.87 47336.33 47448.34 47613.13 47335.09 47758.59 47328.05 46783.64 PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 879.55 19002.3 11518.16 11856.27 78287.95 22331.38 18323.92 5840.67 91262.5 77222.41 19474.26 54620.6 25076.17 44651.49 86556.1 50303.53 21695.04 88117.56 99727.26 95253.95 101266.76 5210.21 26408.26 425.54 165915.87 11621.51 40379.18 27677.08 95400.94 52656.57 107625.18 3072.67 55628.05 27597.71 9211.99 146733.53 235054.99 26574.44 12495.48 10526.25 45130.62 156534.53 40658.48 17554.31 219365.98 26942.19 122680.24 69896.26 65992.72 105405.33 71355.14 87332.18 26868.66 3480.4 107606.68 93047.73 873.13 8223.35 167175.41 3484.97 13509.53 11764.83 99152.5 42882.75 30060.22 99655.37 115870.77 24323.14 16915.23 240099.09 31038.65 95203.11 43828.9 22060.41 1218.92 76979.66 75929.08 77289 75941.05 75942.73 76903.17 72972.42 76040.38 75920.99 PIP(16:0/18:0) 818.19 902.32 1090.91 963.04 1353.19 2356.48 308.15 7085.61 772.71 4267.81 2705.71 518.49 2326.49 879.16 490.72 1759.33 1407.51 1398.8 947.61 1102.87 1570.91 916 656.5 1665.48 2134.55 843.34 1869.46 1157.03 626.77 837.7 982.14 3051.06 964.73 1511.31 356.13 7173.79 7685.96 976.22 1422.71 1044.89 958.05 8864.18 2809.01 1368 8096.09 1793.16 3994.06 3427.09 7234.43 6381.52 5244.89 5443.18 1821.67 805.99 2645.13 4840.51 1894.4 528.9 11843.65 284.88 1075.91 538.22 5003.55 2668.44 1246.65 2067.06 2644.33 433.72 416.67 5817.01 875.34 2969.06 2430.66 5585.82 1774.08 3723.7 3641.14 3646.19 3665.03 3774.32 3161.44 3783.16 3640.41 3785.35 PA(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 10807.12 9272.63 11447.09 6818.52 968.05 8350.07 3930.67 9993.07 9785.42 7729.16 9049.27 7994.75 11713.49 5960.66 9909.05 10792.76 11091.2 7501.19 28010.6 9159.72 16787.23 1098.55 13870.68 14867.23 13015.08 10795.01 15462.54 10477.19 23070.19 5339.68 2260.6 4561.93 8835.74 12245.28 13057.42 15605.97 6460.22 2651.47 10950.79 6155.16 7263.2 9634.99 12846.77 7009.3 13548.97 6339.08 16164.31 17696.01 19283.8 24372.12 6252.91 8460.03 13269.85 13189.72 9044.07 11066.97 6810.09 4961.44 12948.66 482.09 9970.65 8067.39 11123.3 13678 3780.26 9244.16 9255.7 8367.24 6240.25 13956.69 12378.98 9979.88 18477.14 9995.46 10319.53 11165.86 11071.4 11239.18 11067.64 11335.54 12196.94 11251.37 11247.72 11333.59 PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) 3756.82 11728.05 5597.37 6767.28 7592.45 16428.93 7893.55 7189.59 4845.73 8396.71 6753.65 3434.04 4546.61 2976.76 10520.83 5403.4 3240.95 2532.96 3829.21 3154.02 1438.56 7986.31 3534.87 7614.89 1935.76 9836.47 7906.01 307.13 4717.66 986.67 1446.87 2428.23 5921.53 13675.28 10106.37 11631.01 10105.34 14918.25 8215.37 6154.98 25102.1 25871.76 11309.43 8002.71 18530.19 12308.8 12985.06 14077.62 14360.36 48009.72 18286.3 17991.48 8427.11 16911.49 9025.62 12100.77 7359.11 6163.23 8561.03 8601.56 6064.4 5006.09 12392.6 8690.79 6021.61 11265.59 20791.43 7746.46 7446.18 7262.75 14098.05 8060.61 8802.42 16637.5 15090.96 15117.51 17108.29 17706.49 18678.2 17124.72 17139.59 17746.4 18086.42 17180.83 welforlide B 17561.85 15047.46 15839.16 20863.98 17819.32 11904.42 4766.55 856.28 13092.71 15603.06 16489.27 13936.4 14714.96 18368.72 14684.51 15030.68 19023.44 15702.03 14571.13 14521.17 10298.55 739.43 14681.8 19718.5 15685.9 16734.48 20117.62 20477.78 14214.95 22916.23 15416.2 16689.26 11483.66 4965.91 21797.72 17774.09 15044.17 8349.12 21303 18991.15 15244.68 3562.42 18908.01 20364.45 12828.7 20165.94 9941.36 14971.78 18403.98 14609.22 17934.61 14497.12 18215.22 17710.94 4325.11 15825.96 12255.17 14921.04 14292.01 12719.11 19312.46 18278.27 15433.54 16385.75 18245.09 16308.83 12614.39 20551.2 17146.67 14639.47 10551.96 16618.79 17513 16600.71 17459.52 64148.39 119430.89 62922.75 69042.52 65754.25 64166.03 62878.44 63630.69 65044.87 60416.71 63137.31 65652.83 65281.75 65419.24 65750.12 49524.75 65544.04 65038.5 63401.49 64291.58 60969.78 65229.64 65190.87 63886.35 64826.66 14537.68 14474.34 14474.47 14550.56 14549.65 14476.07 14474.13 14622.33 14550.64 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 4518.96 2164.58 4724.8 2407.36 4350.07 1520.11 4790.03 4299.8 7778.9 6235.18 2881.71 3297.72 5052.05 1452.49 1998.85 1349.4 951.03 558.48 2099.26 1204.64 1169.93 733.55 1283.4 6448.77 1246.78 2202.59 1059.94 3493.99 4230.26 3591.39 2232.29 2490.7 1038.62 4384.05 4420.61 2061.65 8261.01 9511.23 9013.84 4149.46 3041.99 13559.02 687.2 7430.3 22119.2 7069.34 1139.86 957.06 8034.61 5053.83 24985.7 406.96 5350.37 1475.25 1604.6 3450.56 2258.19 2113.73 2092.12 6407.88 7620.67 12444.98 1291.22 433.61 3064.8 9649.13 8330.61 9486.07 8233.53 7676.55 12853.11 8227.19 1021.81 3401.54 6577.17 4728.19 3009.48 5055.73 4523.9 4286.73 3749.9 4737.89 4841.83 5102.91 Urolithin A-3-O-glucuronide 11027.27 11168.03 4488.71 5030.02 8834.36 7621.17 6205.4 11185.02 10487.44 8496.53 6751.55 5169.7 2150.71 6010.02 10211.09 8416.51 9497.6 8785.24 7318.96 10097.59 8845.62 3901.93 3572.26 7782.42 10695.31 8996.54 8149.84 8347.26 10699.44 7094.5 10461.03 7639.49 6580.82 4964.95 5871.99 9542.78 12408.32 9886.09 7457.95 10516.58 10071.75 10434.47 6707.46 6372.5 9896.85 6543.09 12017.86 8587.27 6290.07 9882.44 7377.87 7910.18 6168.5 6860.33 8898.24 8459.98 5659.7 5389.1 10819.11 4585.98 5532.13 4877.27 7657.49 8932.17 8879.86 10179.26 10096.38 7298.3 10158.78 10475.64 11013.57 10056.1 9657.68 7345.97 7266.23 8942.16 8900.78 8811.07 8895.6 8768.45 8779.14 8872.77 8591.65 8806.38 Deoxycytidine-diphosphate 38492.13 17795.2 4070.33 2157.91 31232.84 33838.35 14444.68 32575.79 35259.17 38288.24 38505.92 29807.73 15721.59 39811.04 37319.9 35413.86 25446.74 29237.73 29403.83 35639.25 14797.88 20750.66 23043.76 20709.45 31588.55 34224.66 23784.33 29036.77 35304.61 14499.78 13605.14 14935.08 27883.94 18597.82 15083.45 38879.22 29625.36 29539.01 28970.56 31492.17 20637.51 52920.13 25976.32 23736.05 33133.67 9216.51 19596.08 28626.35 52259.41 64601.47 54939.83 59816.82 35136.26 25449.73 17241.12 31274.08 7136.49 4135.37 29742.95 23165.48 36691.71 25618.12 39090.73 12385.69 15411.62 40448.74 31831.14 30942.8 24573.97 21189.27 35957.22 21692.94 30227.7 23821.31 23020.06 26261.44 26562.29 26615.45 27356.56 24435.91 26457.66 26383.33 27317.8 26462.44 Soyasaponin gammag 320.37 2311.86 10027.48 4357.67 2484.86 4506.53 7517.05 2545.27 547.84 4028.26 4668.33 5752.73 3818.53 332.53 3850.63 583.29 6856.93 3049.06 3946.13 2149.48 599.92 481.38 2007.45 6640.54 1617.03 2401.1 6542.06 2888.09 997.27 519.6 1938.95 2615.19 449.37 9585.99 9115.05 2142.37 3474.57 6752.53 6985.77 7419.85 3213.85 3616.32 9511.05 7196.19 2804.85 5495.51 4044.84 3132.72 2657.33 5123.54 1193.28 3743.21 8600.91 11487.73 1591.72 5920.98 34378.86 14968.75 4158.33 3939.48 9156.32 9747.52 4465.36 10108.84 6022.61 5944.54 8316.72 5878.72 7182.77 1949.2 2113.69 9547.53 8949.6 12233.53 9059.46 7572.95 7584.58 7175.34 7589.68 7430.71 7977.59 6948.74 7402.16 7654.56 PA(20:0/22:4(7Z,10Z,13Z,16Z)) 310.67 645.08 999.62 2301.85 7945.99 2394.41 3198.78 507.53 451.81 175.04 503.98 606.92 736.52 300.63 423.18 1157.61 312.63 433.38 1709 188.75 467.79 433.75 218.88 468.9 499.49 219.19 838.64 302.02 708.72 190.38 248.49 589.83 588.48 1513.07 1666.15 232.41 430.76 567.06 197.99 874.42 2442.78 531.07 1290.06 1563.98 464.59 2156.92 463.11 874.57 549.54 456.65 666.49 348.28 553.02 1014.08 550.41 764.63 775.47 1387.5 491.84 607.29 899.74 998.57 296.63 1405.08 891.95 643.6 546.1 641.99 682.66 592.13 446.51 1433.59 255.99 1420.4 1521.23 1907.63 2151.41 1911.67 1910.14 1470.58 1994.9 1998.6 2023.65 1900.71 PC(18:1(9Z)/22:2(13Z,16Z)) 510.23 572.83 7200.92 4036.58 1582.87 722.95 5348.33 1734.68 689.42 1765.17 1541.74 5391.29 1394.5 884.53 1371.55 6589.11 554.95 450.07 12069.1 988.6 456.43 2635.06 1478.78 1033.48 1586.88 844.58 3044.98 4363.19 737.64 2621.74 416.74 11079.96 533.33 10602.68 4753.65 4100.68 3689.2 2875.52 3024.53 4011.09 3888.57 3565.46 5319.58 4648.75 4384.93 7323.96 5340.19 5671.16 2738.15 7061.62 4122.56 2306.85 4117.93 4004.19 1623.86 1450.25 4499.93 4449.93 3734.27 2086.61 2904.95 3669.61 894.57 4741.19 3204.91 2692.63 1917.38 4080.29 4834.52 2474.12 3175.29 4022.3 1236.82 2296.84 3365.55 4696.53 4594.86 4687.04 4525.05 4499.3 4597.89 4628.92 4778.1 4667.09 Glu-Ala-Leu-Phe-Gln-pNA 2331.06 1471.57 18510.87 14849.67 8341.06 11178.78 17393.8 8586.92 3888.93 12900.75 16891.51 18108.2 16822.15 14997.21 8933.53 19683.39 3021.21 3654.3 27696.3 19176 6485.41 1608.21 14966.19 20024.91 457.64 3283.83 15185.45 19580.6 7258.92 10551.85 3112.88 1114.98 3902.96 37209.07 28711.75 13223.45 11354.43 13032.11 33057.98 22389.53 13796.25 18797.05 32546.98 21616.14 11442.54 18894.14 11358.22 22741.58 22540.15 39950.57 12348.68 10900.5 28390.48 32756.7 5969.09 8512.65 8321.87 19866.63 7240.36 5662.22 17261.32 17479.52 7792.59 20243.85 17067.83 11030.31 13610.82 22840.68 24693.38 13231.85 7457.94 23910.8 21481.88 29493.65 25440.65 16319.42 15513.51 16296.4 16191.24 15711.59 14646.63 16235.12 15599.92 16165.32 Lactariamide B 5523.76 7814.33 590.28 4351.42 8480.62 1301.48 5591.66 4753.16 5609.24 6042.23 828.31 4218.54 464.29 11826.29 12095.34 7962.29 10612.91 12716.85 458.39 5817.78 8567.06 12569.54 9590.58 3938.32 4271.39 7391.96 3802.2 4218.14 421.02 951.39 770.37 12024.3 10219.23 6715.79 4899.2 6719.59 6194.31 8640.2 7912.86 6264.71 11573.54 11110.71 7167 6860.23 7569.97 505.67 7706.99 6667.33 6777.67 13649.26 9099.52 9601.42 6907.39 8716.41 5766.5 8412.38 6619.16 5309.6 5715.88 6566.82 6051.18 5737.17 6497.31 6013.5 5639.21 7586.36 10106.76 7943.96 5803.83 5373.16 7662.34 5900.98 6590.84 9769.62 8831.27 8791.45 8961.72 9096.64 8911.55 8625.85 8799.22 8910.21 8914.02 8802.76 [3-[5-hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 486.33 367.05 9248.9 859.38 2547.68 1763.39 657.27 2365.57 1772.09 1459.64 7288.71 1929.28 745.81 2177.54 1483.78 1474.4 8760.8 745.7 2278.72 718.2 2232.64 1014.32 540.74 1891.58 1089.54 1356.45 1292.09 368.04 2277.17 2062.79 1044.39 2869.61 371.63 2213.03 2488.79 3683.49 2390.89 713.74 322.73 919.81 2883.94 4789.89 837.78 2097.92 2879.54 2239.95 2617.26 1343.83 2355.68 3927.34 2415.64 2499.69 2598.8 4105.79 2780.76 3097.39 2708.8 2398.56 2140.01 1318.97 894.02 484.71 3625.2 1998.56 1498.05 2364.88 1603.9 1262.03 1723.77 1942.38 1717.27 1682.45 2127.77 2989.66 2819.1 2577.64 3295.59 3460.77 3461.69 3431.54 3433.02 3233.04 3261.34 3443.19 PA(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2004.95 475.8 2672.61 5741.96 2364.17 5925.35 8375.31 2011.6 582.81 1723.79 2005.97 3669.7 3291.83 4748.33 2400.8 1835.36 1517.48 5141.42 2452.74 3861.76 2680.3 2398.87 2151.04 1148.33 1635.82 2980.48 1690.25 2329.39 3582.88 1884.22 6257.98 10206.02 1814.95 2294.65 1725.43 2440.82 781.82 1751.87 1420.98 1228.58 6031.3 7451.53 3019.63 559.07 7348.94 16306.37 3191.26 3261.82 3783.29 17052.42 5140.59 5712.52 3244.77 6491.06 1100.6 3160.56 2615.27 972.64 1225.84 1673.8 433.47 1917.71 2097.15 1899.1 1560.58 4750.18 6327.05 1823.31 1469.01 1116.44 2064.41 1374.55 2943.1 4808.58 10467.44 3470.27 3300.98 3592.83 3443.24 2239.48 3314.38 3928.83 3424.67 3374.52 PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 1727.74 1026.61 1994.82 672.25 3437.74 5746.39 967.44 2562.35 1618.87 3215.52 2688.24 3189.44 1910.85 10809.65 1359.9 3961.74 2466.45 1768.5 3454.38 582.92 1008.21 860.72 1058.91 1933.11 1819.95 5617.51 1328.16 2105.02 1898.5 5357.14 5655.78 6554.2 841.22 4970.05 3329.98 5029.36 3235.95 5843.2 5345.43 3042.7 6528.29 8111.17 3962.66 3671.33 6532.57 1833.86 5352.38 4990.46 11318.88 12228.42 10793.24 8002.4 4430.67 6985.05 3648.22 4669.21 3269.8 1621.77 1259.21 1048.95 2416.77 2209.5 2552.59 1876.22 2782.02 5750.72 8234.37 2604.87 3581.38 1853.44 4083.67 2316.95 3891.48 11407.84 6429.29 4863.92 4891.06 5076.36 5066.06 5039.82 5049.26 4872.57 4879.24 4346.26 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine 6125.92 680.15 426.57 841.75 422.39 912.68 2618.14 3572.83 3453.82 2199.53 584.27 480.35 657.12 1396.59 421.25 13163.66 542.22 582.22 1323.53 562.48 12241.46 719.5 854.32 810.9 1218.16 522.51 1023.4 10636.11 563.5 1543.74 1641.34 962.02 892.46 8569.57 5656.32 8917.98 6690.26 618.31 4997.37 3100.62 2736.49 4233.31 6650.51 5226.16 7590.57 2403.56 8524.95 6592.24 2267.1 4367.01 3312.12 4920.46 7031.03 3752.6 4459.16 6326.74 4288.58 3968.83 5714.45 2066.68 5484.76 4041.27 4890.96 5549.01 5955.09 5943.05 4292.61 6225.42 4849.43 7723.07 5039.04 5807.71 1603.47 2806.37 5518.89 5799.85 5701.84 5670.91 5637.71 5725.77 5726.4 5668.96 5723.98 5725.09 (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one 453.84 6802 652.49 810.53 5831.43 604.65 2514.99 14027.77 10497.82 1490.44 1491.72 331.07 1199.47 855.42 7095.49 2617.25 330.73 8439.75 5125.33 6353.33 15456.86 7507.83 302.07 1389.34 16428.51 8920.5 282.97 284.39 6961.01 4009.85 11495.94 11987.45 386.77 351.93 554.97 19053.86 12299.38 8922.71 676.26 617.36 4600.85 15503.39 4944.44 298.68 40203.95 2411.82 19820.02 14987.58 3440.11 13522.9 12426.91 11499.25 4860.86 1287.54 13899.24 13926.59 1418.99 5339.63 19475.6 6218.97 2095.38 1119.6 10823.61 293.32 387.63 14866.65 11309.49 870.01 1870.43 21748.94 12001.5 8609.97 3229.26 1228.3 1871.79 12118.88 11890.76 12086.23 12087.84 11811.46 12092.27 11202.64 12081.73 12072.55 [(2R,3R,4R,5R,6S)-3-acetamido-5-[(2R,3R,4R,5R,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy-[(6E)-3,7,11-trimethyldodeca-6,10-dienoxy]phosphoryl] hydrogen phosphate 1198.95 1707.1 1766.49 1059.91 480.26 487.56 16887.97 367.54 463.02 15234.96 548.05 1273.4 648.27 1171.03 8899.16 821.7 8579.55 2392.76 1763.31 789.57 14381.59 576.51 7056.28 1449.44 1290.74 632.94 6946.9 1234.08 502.9 7748.12 386.08 4265.17 536.23 11200.51 9823.27 42772.94 34769.64 15011.97 17356.68 19342.03 44987.08 41884.52 10309.63 11815.79 37724.96 15090.39 46053.22 20777.81 32015.68 36450.19 29179.24 15831.01 12179.76 15375.94 24935.32 17900.6 4131.21 5758.08 29273.42 9558.55 10292.03 7069.95 17392.25 15256.52 18482.48 29995.39 24848.04 25296.52 30615.08 35160.01 35340.25 22695.23 27889.36 11534.03 16234.62 26232.73 26367.03 26314.07 26232.1 26465.23 26304.56 26206.97 25815.21 26348.73 Monoanhydrobacterioruberin 2642.98 465.73 10117.35 3031.14 2207.74 3516.72 709.93 730.38 1208.29 736.71 2834.67 6285.93 1668.51 681.33 1180.25 11384.73 514.15 2373.78 1944.19 2038.06 1541.88 378.46 1178.69 9495.97 2349.89 600.86 562.79 504.7 1412 1230.35 674.2 2778.87 2448.21 1729.4 1642.41 1106.56 1525.66 5482.19 1853.69 2371.24 3937.17 15438.47 2043.01 584.17 4620.3 1462.26 645.89 1878.19 721.86 1795.13 1767.58 1184.98 1508.92 1986.34 3328.67 1069.49 541.03 367.9 730.04 2041.21 1089.7 3309.79 426.93 494.86 2232.1 5148.46 5237.26 1040.76 1188.81 2396.69 882.88 1866.88 2343.1 1054.27 2358.47 2959.16 3009.71 2867.51 2948.42 2790.57 2790.97 2962.33 2810.03 3309.31 PE(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 857.97 753.52 852.59 3089.4 1824.79 1042.09 1548.16 4080.97 2525.3 5581.81 4523.77 518.66 1802.54 3137.34 1933.77 610.51 4345.36 3622.92 1790.41 2319.89 3860.43 4455.9 1413.38 4102.65 1436.83 868.11 654.52 2857.44 2966.4 1641.05 723.43 1445.32 787.02 4984.64 6941.27 4239.5 3383.14 5378.14 4059.6 3761.97 4530.84 3916.02 4195.42 4627.86 2271.14 5961.24 5094.91 3638.54 4644.64 3751.23 3420.19 3975.64 5135.16 5141.38 3175.75 3773.89 6571.52 7249.88 5870.7 4474.13 5822.28 5455.86 5472.09 5304.43 3858.23 3722.48 3496.43 6859.1 5507.72 4716.31 4701.71 7604.07 4077.93 3923.99 5786.5 5003.38 4654.09 4776.13 4794 4780.76 4639.57 4663.8 4787.52 4282.7 5-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-12-enyl]benzene-1,3-diol 6494.73 1166.22 1807.18 1187.18 8058.62 2115.18 3112.97 5169.43 7227.07 2047.19 1190.31 4830.46 2241.73 3871.55 4586.25 4984.55 827.99 4190.47 5127.59 5043.84 6662.8 1798.55 1386.77 2242.08 7947.22 2118.21 6360.47 5342.65 5942.63 6081.62 6847.43 1050.63 3704.13 1006.3 2953.79 5867.5 6495.55 2880.97 2808.32 1693.51 7107.33 3491.8 2235.54 2397.56 6670.47 5058.54 7288.93 1423.65 3173.71 5545.7 5259.84 2040.57 1601.42 3310.46 3800.01 1200.41 2964.9 1577.53 3876.37 1010.68 1120.02 1774.85 502.27 422.56 702.41 5441.38 5434.3 7885.75 6531.68 5388.54 4326.39 2772.81 3052.48 837.15 6732.16 4611.3 4592.01 4621.9 4605.78 4667.39 4294.18 4468.72 4565.32 4423.82 Quercetin 3, 4', 7-trisulfate 5682.38 3204.42 6712.93 3688.2 5934.62 8646.31 15831.76 1256.13 5572.13 705.67 6258.86 4830.38 848.88 2209.87 1227.31 752.28 2963.81 1100.65 3187.44 3883.46 7502.61 3203.59 4227.08 3005.77 689.14 3264.73 2641.88 2944.82 661.24 2520.69 6208.41 1043.39 704.95 15803.03 21098.11 16071.47 16008.73 14701.93 19232.89 19144.51 16508.93 18139.62 15309.23 9977.29 15245.93 15891.37 14732.17 15185.7 21007.77 8068.28 6985.63 4960.61 5871.37 5573.19 7747.63 5304.27 5061.14 5358.54 3233.04 5408.62 5731.14 5966.84 5867.31 6926.98 5542.31 6061.13 3807.92 6452.06 6333.42 6249.88 4701.96 7260.01 25997.68 65075.91 6697.99 4134.38 4136.4 4125.22 4353.88 4094.12 3593.37 4322.77 4263 4568.15 Amurensin D 6569.99 4702 2227.81 2342.01 4666.26 4383.82 4829.89 560.72 9450.44 5008.34 3674.87 3399.14 788.5 3199.51 953.28 1511.31 3780.8 6683.52 4088.99 7247.56 5435.48 2454.4 321.45 3498.7 7734.55 6428.82 2823.82 4214.01 2481.53 4096.01 9056.3 3192.29 1486.66 9954 8002.07 15211.25 16273.37 11896.8 10926.62 13596.8 18343.07 15122.06 9181.08 9034.85 15188.82 9871.43 20842.16 13673.9 16133.1 15598.84 14337.73 10439.8 6566.77 10508.15 15429.81 11384.82 4105.64 2689.3 14958.58 7168.98 6850.35 5918.59 11944.42 9397.48 13185.15 15511.46 15912.87 14154.04 15328.53 16411.22 18394.55 14417.51 15927.57 10246.4 11095.03 15054.25 14853.18 14673.56 14691.64 14847.59 14847.81 14829.44 14395.07 14671.03 PG(i-12:0/18:2(9Z,11Z)) 2087.5 11396.47 32476.46 4234.07 5870.24 3411.27 9112.53 15149.32 4869.81 30540.4 34948.84 20474.37 42407.8 32128.02 2869.85 20561.61 20164.87 6590.57 27771.92 2237.86 13756.1 16503.6 48274.51 40856.68 20076.06 5299.85 39798.76 47507.77 6747.08 3844.18 4848.26 36649.31 3058.58 48505.37 35869.24 13150.25 12252.67 12641.79 43336 32751.39 3228.8 12351.69 36066.1 33766.75 3171.99 24758.16 3200.74 32895.35 46145.09 32966.7 11268.49 17876.2 44600.3 43489.59 7198.84 12241.55 24716.87 27805.35 4380.12 9594.75 31200.51 44676.16 8846.67 27813.28 17370.11 19751.48 825.98 39055.42 34162.65 6458.42 6491.1 31954.46 15699.15 37290.08 35936.06 7715.89 19054.75 7624.75 7994.47 6906.19 7254.42 7520.51 8059.85 7633.84 6898.69 9375.9 7950.52 7492.25 7256.33 7354.24 9545.54 7983.34 7435.67 7934.17 7640.6 7739.37 7720.51 7826.09 7939.64 8188.08 15030.6 14762.28 14423.91 15640.36 14372.65 14862.93 14765.13 14442.98 14376.86 4''-O-Carbamoyl ansamitocinoside P-3 1754.71 1706.35 1583.71 1435.79 2356.87 1394.27 1880.91 2106.86 2503.88 2499.05 1411.2 821.46 2493.41 961.7 2963.92 2249.96 1609.54 2565.99 2404.4 632.82 4201.79 1690.2 1871.36 1842.48 2618.61 2558.82 696.31 1409.03 2100.53 1025.5 2714.62 507.41 939.31 470.68 631.77 2190.29 5285.49 3521.44 678.83 420.54 2586.85 2881.48 987.12 575.52 2002.96 1160.34 3667.24 1764.41 824.49 948.53 3756.79 1261.63 3167.92 853.43 738.15 837.51 439.12 602 2548.15 1289.66 584.53 546.94 1883.28 376.41 2101.6 544.54 2629 883.81 888.63 5504.08 2198.31 2297.89 1081.1 563.75 492.11 2246.63 2460.09 2218.88 2292.43 2235.41 2499.25 1906.66 2371.64 2360.67 6-{[1-carboxy-8-hydroxy-3,5-dioxo-9-(sulfooxy)-1H,2H,3H,5H-cyclopenta[c]isochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 2931.03 1190.56 12729.33 10416.4 19081.76 37636.23 20168.78 3822.48 9748.33 11835.06 23086.37 11565.93 28017.71 21620.05 861.21 16025.36 16720.45 2482.77 33463.8 4719 7726.91 45298.25 28272.61 12486.71 5584.32 8452.5 22878.5 6741.4 18042.23 14066.56 8883.49 35670.05 3129.13 11252.46 11707.35 5074.5 8451.19 18371.38 25149.6 19284.06 42879.94 32533.03 8904.37 6743.27 8153.37 23925.35 1330.41 5526.98 9786.89 18379.88 14000.33 8933.54 19959.98 45269.24 15030.63 8465.56 8524.17 11699.98 7957.85 42118.11 11472.71 26371.47 6386.83 14616.53 8647.98 11353.01 3181.21 2051.05 8672.24 3723.05 3570.73 11091.71 17831.73 42016.68 8205.49 14272.22 13365.21 13506.62 10569.64 14342.83 13833.95 12571.35 14993.74 13319.38 4-Hydroxyprotoasukamycin 4942.84 4739.24 19533.73 5657.28 2467.29 6057.37 30985.07 18120.11 9195.98 10699.53 13811.8 3079.41 845.95 4575.42 2177.48 18019.49 10895.67 588.39 3147.03 1423.08 4841.59 12952.6 13209.1 17850.49 23328.65 15253.52 924.4 22655.14 18303.33 23220.98 801.21 8059.6 4344.73 19115.75 15511.21 7481.77 12198.79 9088.84 8036.81 19356.84 8153.67 9135.83 9725.97 11732.24 5566.2 7319.08 8774.65 11629.52 2147.63 4836.56 7990.85 6322.15 12544.96 9278.43 11497.71 8329.12 11637.9 17791.77 17910.4 11979.91 10117.91 15481.98 12847.19 15344.33 11139.66 9893.69 6665.61 8128.48 6047.77 6232.75 8725.73 15354.37 4635.68 2361.58 5856.06 6860.81 8413.91 8455.37 5025.76 7796.53 7795.13 7987.57 8281.21 8384.64 PS(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 5161.93 1895.65 923.04 1750.85 838.29 836.29 2566.17 4910.8 7961.94 2652.44 480.05 620.94 1512.6 1109.22 648.34 2071.8 610.58 596.27 1196.61 13247.12 746.86 432.05 2457.34 823.31 4165.79 912.77 4218.38 7412.38 1209.95 1616.61 467.08 2111.21 898.72 7360.73 4860 7694.01 5596.81 420.88 4601.1 2739.03 3033.02 2547.84 5900.07 3677.98 5998.82 5743.82 7215.91 6167.71 2201.78 4358.58 2895.24 3963.89 4726.87 3216.38 3017.32 5812.64 4799.61 5460.7 4810.35 906.16 3952.93 4296.22 4812.15 4671.33 5337.82 4622.54 3960.78 6460.43 5660.91 6272.16 4587.72 3797.23 1980.41 3276.74 3467.29 5158.84 5205.39 4991.45 5103.17 5108.04 5288.93 5123.49 5105.86 5207.9 2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione 888.36 1788.54 398.23 1550.92 10367.23 11196.94 12572.55 1081.46 1028.5 1647.21 759.88 666.55 1965.42 810.97 690.43 1977.95 787.09 1130.72 764.52 642.66 892.78 4360.52 583.99 934.23 1412.38 971.59 768.75 610.62 2139.88 671.28 797.81 2258.05 1067.63 483.82 991.52 561.41 643.22 549.82 516.13 642.46 21274.53 9603.86 785.43 428.34 601.46 232.08 275.96 636.77 91.91 21194.88 15374.13 749.71 376.07 873.97 601.29 528.76 409.86 344.98 296.79 8452.96 3225.31 684.91 735.42 466.13 641.46 495.27 795.64 499.09 578.2 1121.12 1466.73 532.09 471.85 447.1 585.41 8726.03 9063.48 6885.67 9109.68 9128.63 9123.12 9334.32 8772.74 9150.63 1-[1-[1-[1-[1-[1-(1-Butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol 8658.14 17113.44 5446.23 31231.68 9138.9 8762.07 3842.74 4790.37 6857.44 2914.97 5148.45 1287.21 9546.46 1707.16 7516.83 27396.79 3632.97 213.73 1952.68 578.21 4128.18 2445.47 4514.04 2402.56 3379.62 8035.7 2506.1 1028.37 3384.63 4840.53 3062.66 25574.23 7038.53 3113.13 9449.78 286.66 3745.08 342.79 2524.7 634.43 18963.03 15880.45 392.5 638.25 762.94 225297.84 3792.7 2227.98 1287.02 8602.21 2485.73 1289.38 2330.07 5360.17 210.93 4810.08 1900.16 503.8 345.86 303.38 267.47 813.68 11007.38 1447.88 4031.23 23418.39 5964.97 306.87 2391.79 5888.33 379.18 405.19 226.77 22988.49 8487.8 9814.17 9702.75 9760.64 9817.87 9758.72 9746.36 10063.44 9580.03 9814.23 Menaquinol-10 792.47 838.56 1873.04 2041.86 1747.22 1631.22 11860.34 1549.79 1998.61 3141.14 12470.32 12870.44 12900.53 4006.56 1185.57 4783.97 1061.67 905.87 5019.77 731.89 1075.87 1669.09 7978.51 2671.14 1183 1067.96 1761.9 1161.53 862.41 2254.26 694.75 9879.5 612.13 6780.03 4349.98 615.41 727.99 2379.19 2657.53 2859.49 1339.99 990.57 5417.38 3556.45 3588.21 6622 1611.47 3491.21 6198.38 1310.21 912.26 730.7 2968.7 3027.09 553.62 872.54 505.05 1371.38 414.73 494.66 660.09 612.12 901.17 4940.25 546.99 696.29 760.72 3243.71 1335.48 872.98 603.58 3276.95 3431.18 7342.77 8577.65 2938.95 2725.48 3019.83 2859.6 2803.24 2758.75 2752.7 2754.48 2558.48 (±)-Myristylcarnitine 14924.58 5557.87 7969.3 9324.15 823.36 39908.81 4108.22 6706.47 8295.84 1369.85 6097.45 8199.54 12386.87 4717.6 6623.28 10079.34 4863.31 11798.89 23125.64 11362.17 9334.52 10868.21 6364.68 8014.86 6214.5 5182.95 8192.53 5301.04 22554.51 12083.41 6354.5 582.2 5013.81 8612.27 7321.18 10846.85 5456.5 7454.8 6417.9 7063.25 7193.3 8759.46 3973.97 5603.91 5898.56 5076.5 9264.1 32170.82 8994.51 14902.25 8710.9 5239.69 4859.43 13146.4 6850.24 8239.79 2399.1 3967.57 6168.01 3984.97 4484.06 7629.94 7002.82 5594.66 7225.34 11632.81 14618.88 7247.02 3508.33 5830.13 7124.3 4178.75 4615.7 11057.11 9375.75 8187.03 8823.67 8511.33 8590.17 8556.55 8510.68 8582.44 8510.49 8590.59 Velpatasvir 4143.26 8473.49 923.7 926.08 2195.93 699.37 16969.46 13928.04 14434.77 16249.1 10760.22 259.01 3822.83 7934.26 610.55 1429.38 1351.55 3612.96 372.02 3420.46 1471.93 3480.42 2726.3 11690.13 531.91 628.39 1818.76 965.01 6226.14 509.53 752.9 299.23 5075.55 10352.86 7152.56 9912.29 5819.28 51495.81 7456.56 5015.51 28745.88 28025.77 9683.1 24541.37 17341.15 23176.96 30516.4 3660.54 18639.25 25981.26 29878.7 26253.32 22809.71 10752.86 3968.72 51387.32 7208.61 1076.11 50967.21 9133.45 9064.65 2546.6 24719.81 2013.76 9691.95 18459.25 42345.35 28714.71 20788.51 4090.72 12209.65 21934 4384.65 21801.03 6616.56 22659.91 22663.76 23525.59 22461.94 22435.24 22435.3 22589.15 22658.7 22435.59 Pgp(16:0/20:4(5Z,8Z,11Z,14Z)) 9634.3 878.64 957.51 2043.47 1009.84 2382 16235.28 1221.77 481.46 406.51 372.05 1444.79 1024.86 415.84 520.8 693.07 407.78 728.27 2016.69 698.32 681 346.45 7916.65 919.66 1006.36 697.5 415.4 328.2 1205.48 352.37 432.39 18882.03 8528.47 18261.99 11168.06 8744.76 17625.55 17154.95 12025.74 9929.21 30518.49 25198.2 8627.95 7631.88 24904.3 13312.8 5981.68 5917.03 5423.99 11204.8 16687.56 16046.63 8816.8 10644.62 13535.05 15759.73 8196.59 6277.83 14607.29 12778.72 8622.18 10597.48 15549.38 9348.73 6380.66 18366.31 22734.28 7449.57 7925.2 17742.14 15219 16373.79 10170.99 10869.99 16101.46 14605.14 14222.08 13615.44 12747.95 14137.86 13945.4 14146.51 14232.25 14222.2 1-[18-Hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol 13973.63 12827.63 12943.23 12638.39 2235.97 13661.51 16766.04 15122.25 9594 10876.64 13094.87 8735.47 3902.04 12226.28 14466.04 702.14 13459.6 2330.56 3493.56 18194.54 15715.52 12418.91 11210.79 14131.28 13181.19 15583.17 15295.23 19097.75 2315.01 9460.74 25572.42 3872.99 1165.75 13549.65 12386.82 16414.57 10443.78 8304.57 12248.52 10966.71 19392.19 16967.15 16336.41 10706.24 26077.21 23115.6 16055.81 19098.49 2250.96 39821.12 8084.55 14337.24 8352.92 20787.39 7923.86 7604.06 1497.56 10453.23 8247.47 8836.95 12954.55 1113.98 12028.73 17574.5 10177.95 9912.5 2447.08 10084.72 11444.99 10605.5 8887.7 13446.42 17484.27 5962.72 15501.91 16368.87 16380.16 16024.51 17158.88 15984.05 16410.14 16372.46 16003.15 16233.18 6-[[8-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 4511.56 4086.55 1661.38 2274.42 563.81 2738.3 5777.3 5497.82 4735.13 4522.36 2522.55 3865.87 2050.6 2818.13 4820.87 2805.75 2360.38 3901.41 4086.82 5445.86 4451.83 2759.62 2209.53 2615.32 4783.13 5242.84 3312.17 4307.67 4338.64 4029.68 4211.22 4686.38 3978.17 2723.98 2238.89 4943.03 4369.13 1960.41 3687.34 4295.06 5536.45 3520.16 3496.34 2891.13 4851.84 3763.34 1191.23 3935.2 4854.11 4424.63 4865.12 2830.67 1990.32 3355.84 4977.41 2774.21 1466.38 1041.29 3861.04 1837.32 2440.54 841.19 3045.89 770.58 3921.6 4328.46 5050.26 4376.85 5322.54 5510.18 5273.6 4207.75 4952.89 1850.6 3887.1 3973.89 4207.07 4314.67 4189.19 4287.64 4187.27 4414.35 4324.16 4167.88 PGP(a-13:0/a-13:0) 484.36 12042.9 4648.81 640.04 9978.78 937.92 9779.04 9910.93 1048.09 10642.93 634.48 2609.05 1948.75 2203.04 821.09 708.83 7433.46 634.1 10437.32 18949.3 12706.01 554.22 858.13 467.17 10209.66 556.47 432.42 687.61 2451.72 12008.45 791.16 713.94 10550.15 7988.86 7345.51 2720.39 7818.84 7124.4 7461.74 4877.39 18213.68 15650.16 4798.97 4603.13 14023.54 8255.2 2977.63 2797.1 3105.9 2714.05 9050.57 6792.56 7353.3 3594.01 6774.84 7624.44 3077.16 3375.06 6506.23 7127.76 5135.98 3961.49 6349.16 3920.62 1714.5 7492.3 12271.58 4721.59 4493.21 8272.43 8964.18 13308.91 5517.55 5416.19 6139.06 7294.67 8347.57 7567.89 7866.59 8017.78 7892.35 7561.34 7859.71 6301.97 PC(20:2(11Z,14Z)/24:1(15Z)) 563.66 589.44 884.66 825 782.72 429.98 584 747.18 643.16 645.95 1394.13 601.87 775.48 850.56 549.92 676.17 415 525.62 618.91 590.07 749.4 814.97 650.23 676.18 661.93 1075.98 673.86 378.11 805.94 692.05 526.76 422.14 647.69 742.92 341.09 832.28 617.51 861.09 2253.53 704.3 816.68 703.55 928.6 574.03 1085.96 771.33 792.99 765.06 727.2 806.83 896.78 752.32 293.35 295.63 432.75 1176.98 562.3 895.63 1232.2 462.51 1756.16 2093.48 780.18 669.62 881.7 456.47 1388.85 802.96 427.63 555.83 824.09 701.75 1070.46 352.12 2115.56 1352.81 1440.72 1279.61 1191.19 1294.75 1129.51 1239.36 1326.42 1167.06 PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2649.74 909.57 1144.12 2574.37 830.08 2128.89 2871.84 4113.97 4842.99 6249.76 4962.47 1362.56 1400.24 2548.56 589.52 921.41 4263.06 1019.93 1477.09 819.27 3483.08 2741.84 695.15 1328.37 1869.87 2216.17 3494.45 586.53 2701.91 3040.82 546.14 1797.82 853.23 6914.72 10403.62 9606.34 6466.28 10539.41 5973.49 11176.47 7761.52 7118.44 8520.58 7651.27 5991.96 7003.14 1828.03 8828.06 5799.19 6300.18 4057.51 7984.33 4514.36 9267.16 7229.6 8007.71 8041.62 9468.86 7059.47 8206.52 8593.22 8797.09 8609.94 9462.47 7811.13 1957.72 7436.89 10980.85 9612.83 7118.5 9573.01 8746.18 10792.3 7878.17 7002.92 6069.25 6190.66 6071.32 6218.57 6059.68 3892.21 6332.82 6641.13 6065.99 PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 409.05 386.96 521.26 380.25 502.9 474.07 375.82 527.91 311.5 481.12 311.17 295.23 643.09 735.35 427.46 418.39 553.22 409.1 582.83 454.02 391.71 538.07 668.82 775.28 452.68 252.1 747.13 287.77 445.71 691.34 565.26 696.55 722.25 2836.88 2870.16 3044.61 2090.95 375.6 2209.63 632.27 1161.6 1846.04 2399.96 1997.91 2411.62 1131.33 2863.22 2162.86 768.29 1130.66 450.77 1720.54 702.37 1000.31 686.77 1065.5 1019.29 1733.71 1988.86 517.43 994.28 823.82 1291.61 2378.36 2492.62 1089.21 892.17 1906.72 530.4 2920.39 2042.29 2062.53 332.5 852.01 1503.28 1834.6 1795.35 1773.56 1753.61 1854.77 1701.95 1779.78 1831.76 1797.93 PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 507.84 536.83 365.23 272.02 3182.07 517.55 3486.37 4452.61 1334.58 2465.77 422.04 3423.78 1014.11 309.39 550.28 1223.04 280.52 861.81 573.5 761.67 710.38 1779.26 621.78 370.79 1587.49 553.59 268.55 867.65 409.41 1165.44 688.99 1286.29 471 1768.74 1136.56 7783.65 11443.79 2752.91 1301.68 435.01 5582.73 10443.15 1928.56 1474.64 4219.18 1222.18 8096.34 3368.08 4283.6 10995.24 5976.86 7284.91 2092.45 1335.54 7353.14 3534.5 660.93 666.12 9147.85 537.16 1060.6 1794.79 1582.51 695.39 1277.69 7366.93 5211.89 1069.22 1202.82 13348.61 530.53 3275.47 2251.7 1010.23 1800.71 5332.11 5084.69 4916.61 5202.65 5050.72 5010.52 5281.35 4661.42 5376.93 2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-diol 2926.13 886.13 1097.82 1985.17 1548.97 1878.23 892.91 1445.7 4845.86 5558.96 1587.3 8058.12 1169.9 4391.6 2745.37 5542.27 6180.49 1127.07 1600.78 1411.37 5904.25 476.77 2448.48 1660.21 950.94 2875.82 1060.56 747.32 1032.24 1460.73 801.82 1505.4 696.68 5605.84 4557.56 2979.47 1787.84 4973.65 7223.83 8119.37 2675.81 2567.51 4554.68 4260.94 1650.82 2531.82 1495.49 4774.67 1081.38 4786.37 1094.77 4016.76 5272.53 5189.62 2528.78 2767.01 3407.11 5612.84 3606.22 2756.17 7296.24 2993.72 828.42 5628.82 7081.16 3114.64 2187.02 4068.48 3182.99 4296.64 2449.14 5792.21 6054.88 7413.75 5586.87 3790.57 1151.41 4160.82 4568.31 3714.72 3294.89 3516.72 3527.99 1931.05 2275.8 815.74 1577.66 2217.38 3288.97 685.69 1626.09 1775.42 2885.52 3818.78 3713.0 2949.75 2081.05 534.56 3569.47 3236.53 3526.04 3622.51 3476.33 3065.37 3231.14 2310.61 3614.24 Oxaloglutarate 2042.38 2546.65 3423.82 2754.33 1569.34 1626.46 2020.32 3077.88 2267.66 2074.66 3114.06 3819.72 2654.48 3972.04 5347.94 3170.14 3625.1 4115.63 2262.34 1985.76 3934.03 2366.93 4622.68 1762.86 2375.3 2418.76 2811.97 4507.55 2214.79 2266.31 2436.99 1745.08 2018.71 1838.76 2493.65 3252.54 3839.92 2220.62 2981.5 2915.7 3499.86 1363.59 1871.6 3134.78 2063.91 3160.61 2070.93 2870.72 3696.71 542.9 2182.98 1440.5 3122.52 2581.54 4297.7 2327.09 1569.16 2476.64 3014.54 4651.34 4016.71 2423.08 2083.85 3033.62 2898.5 3286.23 2286.28 3199.85 3919.75 1690.11 1461.81 2663.56 3443.88 2271.11 1169.84 4860.77 3713.36 4214.16 4653.56 5191.79 4611.24 4160.81 4820.29 6470.24 3794.17 3099.24 4918.77 6175.52 4427.5 3638.07 5521.83 3175.43 4767.29 6346.15 3642.52 4389.87 4706.92 4977.58 4487.28 3725.2 2536.23 2815.91 2622.23 2760.73 2975.21 2532.63 2536.28 2728.21 2602.54 6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 8650.73 6640.48 10889.07 10412.78 7226.08 4764.07 10096.48 7788.96 7109.76 8361.18 5956.81 7529.8 8190.87 8820.13 7788.85 9527.43 7834.5 8510.54 6705.68 6244.4 7979.75 3331.93 8199.2 9906.99 7500.07 819.68 8751.35 7710.68 5279.81 2154.4 5966.53 6087.78 4833.24 9752.81 9709.96 5406.57 8921.94 4261.19 9816.7 7466.86 1790.52 4002.39 10281.43 9638.36 6721.77 10465.62 7235.06 7992.21 5800.22 6093.24 8968.17 8800.18 9630.92 12085.13 7462.63 8488.7 9084.4 8321.2 5475.71 7355.27 10246.38 8251.57 12292.96 13736.06 9509.26 8760.47 5990.33 7607.97 8111.56 11573.85 6887.59 6141.44 8965.31 9687.39 13890.93 8887.56 8867.11 8837.48 8915.83 8592.71 8953.47 8811.74 8896.14 8916.42 Dihydrocaffeic acid 3-O-glucuronide 8425.72 4964.43 6706.93 3647.08 5833.62 4603.99 3769.81 5579.15 8090.47 4933.43 1081.3 3473.71 5955.48 3443.53 3189.84 3052.92 5233.04 6600.97 7770.96 3640.89 5858.11 2215 4663.2 7450.95 8178.71 2264.33 6791.66 8512.83 4334.96 5246.37 6831.85 6751.32 1722.64 4206.81 6342.01 8637.85 5117.85 2450.88 5190.58 5345.97 1816.81 3374.06 4717.36 5739.52 3996.55 2838.88 3878.96 6972.93 2098.71 4183.25 4260.82 2160.39 2500.07 584.31 1798.93 3522.9 2465.86 1291.72 4258.59 2506.3 3942.96 2927.63 6343.45 4110.2 4755.44 3469.8 3725.67 5966.7 3758.67 8267.99 3772.61 6038.61 1133.04 1084.27 4453.31 4650.88 4580.41 4388.94 4681.37 4327.21 4612.82 4491.94 3825.18 4601.37 Multifloroside 2461.22 1015.16 1626.17 1122.42 1817.11 443.6 429.18 1074.32 3002.98 4419.66 1120.7 2714.34 1662.67 697.59 1999.88 1863.99 1928.42 682.39 412.53 4856.67 1642.23 405.51 847.91 3088.59 4626.3 576.91 882.74 488.7 1393.49 1928.93 699.35 819.14 622.52 357.19 1651.7 6826.1 7586.45 4208.51 1821.97 464.02 2663.05 8953.64 1850.25 3602.39 1818.29 3797.45 1201.57 4326.36 3388.96 1509.7 2684.29 8312.06 3329.65 3792.51 422.26 1858.69 3975.44 1970.69 2195.57 3660.93 2580.65 4833.63 2149.29 1619.61 4206.26 3179.54 512.08 693.03 1431.86 2446.83 931.43 6368.11 2204.84 1444.42 883.3 2865.5 2015.71 3018.24 3117.08 3818.82 2809.99 3216.62 2995.48 3146.64 Prolylglutaminylarginine 1249.54 761.28 3555.12 3617.1 1205.29 1523.15 10039.31 3195.76 2960.98 1260.82 1568.66 3739.62 10808.24 2716.35 1743.27 2247.34 854.9 591.66 6841.1 1999.56 1316.31 1422.62 3456.62 3066.32 3003.03 1935.8 2447.25 3329.65 1737.71 3585.51 650.98 2719.39 1054.6 4879.4 3347.26 2221.78 1656.16 4463.89 2999.73 2387.09 1186.22 1383.63 3377.3 1768.22 1279.01 10645.56 1503 1232.65 4310.95 1720.72 5511.29 1486.82 4862.03 9974.68 2982.82 866.66 1579.46 2106.67 1038.96 983.6 1255.26 1842.87 2024.74 4791.75 1152.99 2184.5 781.67 2548.71 1765.28 1222.24 1062.93 1685.44 2020.98 1269.21 5417.75 1917.15 2006.28 2034.73 1897.58 1930.04 2032.21 2035.97 1543.17 1917.3 3-Hydroxytetradecanoate 931.38 1265.9 438.27 704.17 1584.04 1999.15 9312.28 1892.35 3285.23 4207.78 9550.08 10136.34 9995.06 4826.82 984.31 5595.42 2444.29 709.51 6310.81 664.97 1373.14 1499.47 7585.25 2515.18 561.15 665.42 1478.32 996.26 882.54 3288.77 1048.58 8343.92 837.27 5250.04 4389.13 452.99 597.74 3363.99 5162.04 6688.24 2435.62 3779.37 6529.34 4191.45 2145.89 6588.36 1994.64 3034.95 4099.64 10743.31 458.45 489.8 3671.26 4460.4 430.81 1083.76 895.05 1338.99 847.27 1235.66 1860.08 2461.91 785.2 3677.05 1282.1 802.74 777.84 4067.27 4203.48 593.08 1452.03 4826.82 7697.24 7070.52 5785.16 3041.82 3042.87 2939.72 2941.62 3111.38 2989.71 2923.7 3058.36 2656.24 6beta-Chloro-4aalpha,5alpha,7alpha-trihydroxy-7-methyl-1,4a,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-1alpha-yl beta-D-glucopyranoside 3183.24 2949.81 2051.05 1190.36 1569.29 1801.1 852.22 1588.34 1271.86 3785.87 3311.42 2523.14 928.11 2780.63 1401.71 2825.55 1322 3255.82 2798.25 1763.91 2043.7 1989.98 1978.81 2541.92 1865.44 1618.75 2938.7 3352.95 2133.3 2361.38 1830.79 2302.59 2162.38 831.77 1788.11 2157.27 851.79 1512.1 2916.25 3843.33 1475.31 1766.5 1673.27 2748.49 1353.69 2246.46 832.26 2153.2 1689.36 1686.45 1044.71 2361.85 1861.88 2058.26 1936.26 2886.88 2680.34 3200.87 2338.54 1536.59 2925.24 2874.67 2617.22 1098.94 2847.31 1214.95 1203.85 2789.15 3365.17 1907.9 3533.06 3677.67 1365.06 2561.75 1626.56 1680.76 1648.96 1261.31 1563.42 1647.35 1577.41 1568.17 1612.3 1612.98 {4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 3660.62 2001.65 1279.15 2233.56 2375.82 1411.31 4980.43 640.34 1342.61 1940.29 623.19 2098.59 6323.18 1267.71 2222.19 1079.03 2624.6 1596.54 2163.25 1791.87 892.16 2565.84 1570.78 2883.49 2295.41 3867.99 1227.67 2454.49 1465.05 3772.55 1689.67 6997.33 1033.03 3979.95 6328.71 1161.04 1242.06 1240.47 6754.63 1001.26 1497.09 1393.22 1599.52 4364.1 2243.75 6954.6 1940.62 1358.28 2168.79 1174.69 2042.65 1942.1 5752.89 5296 1270.92 1134.51 6309.45 7981.75 1284.23 2289.79 2142.33 1559.91 1701.99 6307.09 3466.95 2815.46 1458.69 1502.39 1024.65 1535.31 1517.32 2438.48 2227.93 3355.22 3550.49 1756.57 1475.01 1682.69 1307.22 1590.42 1671.98 1758.61 1550.8 1544.69 5-Bromo-1-tert-butyl-6-fluorobenzotriazole 1277.28 1093.01 4860.31 930.47 2101.96 1302.25 3505.61 652.13 966.86 1645.35 1523.47 1539.33 3189.5 1714.31 1464.98 2015.3 3430.2 1000.78 1664.46 783.95 939.67 1538.18 3343.03 1406.14 615.53 1367.03 2658.25 929.96 828.01 1971.53 835.59 797.75 811.3 2382.95 1349.72 895.14 926.39 1304.44 1769.12 1119.3 1381.19 1260.12 2133.16 2139.22 1426.08 3443.87 792.68 2060.76 869.57 2174.37 1043.51 1210.47 2272.53 2384.14 1181.03 1153.7 1647.24 1467.08 917.43 1443 906.21 2432.24 1090.14 908.59 1135.22 1125.35 894.84 940.95 1998.61 775.47 584.33 931.87 691.51 1114.69 2993.67 1231.11 1248.86 1301.23 1428.37 1237.26 1269.71 1263.15 1308.56 1130.72 Pregnenolone sulfate 686.09 719.79 2533.38 597.52 3278.07 4599.17 3522.99 7352.21 3276.54 2938.16 2655.17 1050.56 1175.07 2659.85 3644.68 2708.12 2808.78 2912.69 1125.91 3003.53 3217.98 6695.85 742.51 2934.61 2887.73 3113.34 2015.08 2633.58 2249.31 2119.05 1892.82 8408.89 11369.21 2045.03 929.29 2463.84 664.67 2907.7 1979.15 739.82 3342.72 4537.31 1835.74 1357.05 2827.66 1262.14 4011.1 1105.4 4711.33 5558.92 3870.39 7645.69 1979.64 2807.2 2673.59 1596.56 2397.94 2287.15 925.06 1461.88 506.09 2520.68 3988.85 3926.26 1353.52 4906.75 1239.84 2887.22 2227.31 1014.63 3629.37 2144.22 5826.42 2700.19 1564.76 4228.27 4651.06 4391.76 4422.13 4380.98 5311.92 4670.82 4665.18 4696.71 1-(4-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea 3256.67 6028.11 2444.38 6726.52 1256.37 2712.21 4785.98 13553.26 4462.91 4700.14 3504.24 3902.83 7033.12 3612.71 1120.94 1140.78 4045.68 5014.34 4073.84 2285.68 7585.81 2121.15 980.5 2561.37 3149.18 2288.1 4577.27 3076.04 2040.91 1342.75 2430.86 3264.96 1652.28 5883.84 1709.49 4469.83 2394 3219.66 3072.32 2285.03 1860.06 1977.01 4767.09 2298.06 4256.88 7606.19 2282.82 1070.49 1904.86 1107.67 3228.5 1184.96 2760.09 2217.41 8227.85 2900.58 6699.49 5821.34 2787 2134.64 3002.97 3237.88 2336.21 1375.64 3564.66 2480.34 1583.89 2841.45 1881.77 1910.58 1881.39 1084.12 2117.57 6246.21 5778.88 1480.5 1732.67 1739.81 1638.91 1735.5 1749.75 1731.69 1579.15 1474.86 (Z)-1-(2',4',5'-Trimethoxyphenyl)butadiene 4020.84 3612.13 1047.46 2670.11 2557.12 1635.52 1834.55 4977.08 3676.9 3461.65 5750.87 3994.95 3565.61 3225.03 3375.41 2716.87 4088.49 3122.3 2562.3 3084.81 4230.01 3938.48 3131.16 3028.92 3184.06 2972.94 3259.5 4287.48 2048.69 2935.07 3360.41 2672.72 4398.03 2515.56 4148.06 2397.67 3623.25 3647.8 3408.66 4032.98 2776.75 2571.2 3519.16 4969.26 3127.6 3495.12 2960.39 3051.78 3221.53 2287.44 2605.46 3339.96 2464.16 3142.37 3635.48 3476.06 3477.99 3646.8 3354.91 4045.38 3488.84 4173.74 2935.11 3518.5 4389.54 3873.86 3243.76 3982.19 4330.36 3692.74 3712.16 4532.61 4493.92 1053.98 2608.42 2486.39 2723.35 2730.6 2868.33 2633.85 2617.97 2620.17 1995.92 2720.7 N-(15Z-tetracosenoyl)-1-beta-glucosyl-sphinganine 677.81 963.78 1534.75 2047.3 1140.4 967.28 2938.44 1624.88 1100.27 1469.46 2380 1048.73 1321.94 1870.46 1233.72 2364.65 1937.33 650.07 1785.86 780.05 1138.21 642.76 1866.7 2453.3 1409.26 1030.31 2726.18 1690.42 1131.93 1651.04 1200.69 1143.26 1167.52 3995.29 4308.99 3250.26 765.43 1737.19 2414.12 1380.19 937.92 1625.6 3992.15 1362.72 894.38 4194.72 1146.62 3713.87 3848.31 4954.02 814.91 1163.16 6259.3 3563.91 493.74 1202.11 2021.25 2141.74 385.51 868.94 1730.98 3384.69 1413.95 5141.96 1748.65 861.28 443.22 3902.59 886.37 3413.44 1700.49 3923.77 4800.75 5486.19 6010.16 1086.17 2383.86 2512.28 2394.53 2380.98 2315.78 2472.65 2759.66 2688.22 L-beta-aspartyl-L-phenylalanine 2214.97 3208.51 4717.79 3266.07 6158.57 3237.54 5244.96 4095.93 5344.51 3279.5 4949.7 5075.97 5140.83 2632.64 959.34 5739.39 4901.31 1271.08 8079.99 3287.64 4424.59 3203.81 5492.44 6778.09 1707.55 4372.12 3858.91 6881.38 3360.93 3051.91 3331.03 4980.63 3467.98 7661.34 4343.44 2713.21 4080.88 2774.9 1430.12 5044.74 2873.68 4926.53 5763.66 7722.56 3749.29 6193.1 1294.14 6945.06 6904.5 1087.27 4968.95 3277.97 2504.92 6698.14 1181.62 1699.16 3808.79 4628.03 2966.31 1384.23 5123.93 4225.72 1508.47 1082.33 3732.96 759.36 2276.17 2114.43 4522.51 1088.42 2596.89 5328.55 5753.48 7300.23 4952.87 2930.89 2655.03 3102.9 2389.33 2939.17 2975.18 2765.45 2978.3 2747.78 4-Hydroxybenzophenone 6535.6 6701.9 7408.93 7106.59 3814.98 5098.45 4280.73 949.4 1586.24 6595.19 4316.33 3882.75 4410.9 4253.94 5528.93 6042.58 3936.24 5854.29 5233.48 4832.97 4408.94 3629.85 3638.46 6556.37 4428.65 6498.37 6636.34 7371.67 6967.13 5491.68 5553.07 6512.51 3656.45 7200.87 6373.35 7080.56 6405.42 3877.22 4464.23 2258.52 4722.59 5676.32 5954.23 5964.74 4112.5 4643.63 6982.27 7188.85 4089.24 5089.69 3724.13 5078.65 6348.65 4854.51 3580.41 5469.27 5295.26 5515.39 6208.67 4569.61 5539.79 5698.39 2629.58 3488.14 6841.89 5273.88 5983.94 7360.44 6385.16 6561.18 6302.39 6477.46 4968.24 5690.92 5930.43 5870.15 5877.42 5861.51 5814.49 5814.39 5905.47 5814.44 5853.36 5815.68 Nalpha-(indol-3-ylacetyl)-glutamine 25074.75 28161.84 18832.3 19249.99 27329.92 18038.76 14889.25 25037.12 29410.5 15683.3 11681.72 15202.99 4697.48 8809.42 14361.94 24021 20810.15 28637.07 21415.25 37746.87 33518.37 11912.3 14766.81 15600.75 30039.46 34007.36 16667.21 5389.45 15734.68 2827.25 29086.35 25919.4 25767.45 13013.01 6083.41 7421.25 22705.75 46211.03 17097.42 19844.38 14655.33 20833.31 3117.53 15256.9 25732.48 10689.45 40600.07 23288.78 6021.15 25819.62 9716.18 16704.85 2544.85 15694.87 15466.86 11150.55 3214.52 26457.49 36641.19 29990.12 13987.35 4093.73 15200.53 20186.91 22058.44 14936.45 36138.53 16040.74 12982.44 30194.95 27722.84 19400.22 4758.51 18202.67 13586.21 15458.58 15258.11 10743.45 16081.97 16506.76 16070.31 16518.08 14498.66 16045.05 [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-octadec-9-enoate 208.62 481.7 353.33 1049.17 1451.07 1493.69 5622.45 2648.62 452.9 1047.38 1428.69 1245.38 1521.39 306.48 422.47 5594.65 862.4 1681.4 1299.78 4606.42 2878.78 1819.95 675.02 1636.16 3129.19 2282.46 976.14 405.73 1853.49 2397.35 890.15 3457.95 823.48 1269.14 1778.77 1566.11 3296.63 2063.82 568.33 1242.29 4483.53 3517.79 3668.23 1941.44 1823.14 3134.5 2408.97 796.45 36982.55 2486.87 720.33 3301.51 2053.06 3578.32 5624.36 4065.47 4247.78 1887.78 1405.63 7380.97 4056.08 1563.42 5675.05 1540.28 1341.41 4715.98 5429.51 1133.99 2410.27 4549.21 1420.2 966.24 16318.9 17894.95 8594.21 2045.65 5861.98 1691.64 647.2 1561.82 1850.85 668.93 1028.11 1392.9 5027.26 2344.62 2394.03 3577.94 2350.3 1250.23 1867.88 3374.92 4153.08 4418.47 4193.17 3843.34 4351.91 4442.79 5678.74 5500.38 5255.94 5527.98 5344.81 5225.25 5510.05 6228.27 5225.76 5275.25 H-1152 Glycyl Dihydrochloride 2792.02 463.02 990.16 436.64 3844.67 3761.92 2174.86 2905.85 4255.03 1493.09 427.82 2971.9 1041.83 1233.76 2837.28 658.49 658.36 774.7 1744.45 7662.66 3361.66 1176.69 793.5 1925.37 4354.1 1058.71 1314.04 1801.63 3233.96 1641.89 738.91 1084.22 1294.29 1673.67 1346.6 1709.15 2644.3 505.27 511.68 772.29 3744.56 3576.74 1034.26 756.72 3593.86 1631.84 3806.78 1482.68 574.7 3109.29 1534.68 433.92 1019.72 1201.11 2674.36 1221.68 880.33 836.88 819.86 1075.91 597.53 915.77 489.31 614.82 607.04 4075.4 1639.74 2914.73 2607.51 2443.86 1650.56 1518.44 1547.54 558.85 2402.11 1795.59 1677.74 1901.86 1662.92 1817.46 1649.68 1788 1814.59 1670.66 PC(o-22:0/20:4(8Z,11Z,14Z,17Z)) 1029.77 1566.8 1356.75 847.09 2465.92 1490.57 1939.51 1217.19 2997.65 3451.56 1636.06 862.88 673.46 2088.19 1275.19 492.46 1171.89 983.58 506.81 4260.33 2720.63 990.54 3578.94 1058.35 952.19 1314.54 1715.67 1450.21 704.21 1606.01 883.06 1534.12 3371.11 1968.06 2187.66 1022.9 1453.56 1096.82 1997.54 1342.13 493.57 990.84 3270.78 566.07 1323.1 1690.97 927.77 2961.94 2011.79 1118.07 472.99 3244.36 3509.58 1061.51 472.03 2664.6 3627.99 1227.43 470.44 2070.46 1169.47 1104.36 1343.44 2381.8 658.92 997.34 1124.59 2297.4 708.73 1348.87 1294.63 2890.58 1338.24 1251.1 2008.95 1469.19 1521.59 1471.19 1528.27 1536.74 1530.49 1479.77 1633.8 1436.04 N,N-dihydroxy-L-tyrosinate 4862.33 1669.38 5122.89 3199.29 639.76 1297.15 1831.14 1587.28 1452.54 2598.89 5802.81 1399.52 2993.84 5627.27 1470.92 716.92 5148.81 820.57 1560.34 1442.09 3354.7 4049.86 4659.58 5689.91 1907.08 1469.22 2943 5006.8 1442.03 1650.67 1293.74 901.91 2040.61 3178.05 3344.2 1667.76 2825.39 887.53 5099.99 2643.76 1576.62 1631.32 4818.8 6110.48 971.46 1765.18 1544.31 2376.58 2256.26 871.55 4794.17 3361.59 3475.19 3088.74 4351.36 1798.02 3209.52 2958.88 2101.14 2037.8 4604.34 6296.62 4413.68 1364.62 1690.5 2173.88 1320.19 1114.23 2360.63 1419.82 1921.05 786.65 3581.65 2336.15 3619.09 1603.39 1684.09 1685.02 1702.48 1795.28 1785.16 1673.81 1201.9 1735.35 Cysteylcysteyllysine 10708.27 8207.92 20070.73 13136.22 13099.03 1873.43 17149.29 21464.1 23069.44 18395.38 15842.74 10789.05 15700.88 9774.66 19159.8 17011.34 13949.38 8915.07 27008.3 16265.41 17243.15 5385.35 21437.02 21015.76 22641.74 12346.43 23645.61 14433.56 17627.32 4419.5 1505.41 11536.98 14045.53 16929.02 17122.94 22821.79 16691.41 5550.85 17368.54 12769.66 9809.75 15969.08 16817.47 8676.8 18616.34 13478.61 18078.05 21180.47 26914.09 19282.01 14163.46 12301.48 15286.27 16783.52 21634.49 15742.02 16763.92 11233.05 13785.48 5050.26 16988.99 16625.52 14380.76 16823.84 13408.87 14828.44 10000.53 17665.13 10774.1 20139.81 21546.44 16068.17 15789.5 15610.53 19194.21 14974.53 14933.61 15419.69 12939.71 15406.75 15428.52 14994.76 15409.57 15427.04 L-dihydroanticapsin 1046.03 3586.39 3055.64 3144.38 8373 3856.08 394.37 11734.55 13163.03 3642.63 1134.54 2119.04 1389.06 1027.45 8663.67 3651.15 1926.93 4567.13 3111.27 5332.72 3219.03 2383.45 607.58 2766.8 8242.83 7467.54 5331.93 973.62 5755.24 403.68 2613.55 2876.98 5440.61 2078.16 2381 4849.52 5644.14 1333 1528.45 4277.83 511.99 1967.47 5074.83 621.77 2643.81 3603.15 5453.19 2142.89 2885.51 2772.26 3622.24 3347.81 3173.83 2531.59 4014.56 3850.37 4738 4537.72 6246.75 4599.67 970.21 805.54 5942.43 3799.84 5856.6 5219.08 3514.32 1391.65 1349.31 6956.86 8080.6 498.75 2395.76 6274.28 633.28 4640.7 4802.71 4640.34 4570.6 4523.3 4591.16 4599.54 4601.34 4639.38 (3R,6S,9Z)-1-Methylene-4beta-bromo-5,5-dimethyl-9-(bromomethylene)spiro[5.5]undeca-7-ene-3beta-ol 5560.76 34863.22 18315.83 5646.32 6578.37 1967.44 5132.45 4560.3 5039.44 8102.85 3373.43 5645.19 28827.93 3616.34 2106.79 2689.11 752.33 2502.43 9231.35 3016.69 10664.42 2808.01 3918.24 9652.94 14007.99 2816.1 10736.95 10125.26 4696.17 23054.81 6479.86 2267.62 2055.36 14753.25 3951.75 25081.95 5037.34 4253.61 13905.4 82622.6 13195.78 1357.31 2460.81 5157.08 1499.5 4056.08 6508.33 9449.55 12232.53 1134.49 1913.68 2796.05 7783.75 741.82 23049.52 3871.55 8196.95 4515.32 4419.58 955.27 9756.08 29427.88 3228.21 4195.06 5872.8 6940.68 8228.55 26375.29 56894.15 1792.62 3167.45 4626.28 693.73 1350.24 5100.63 3415.64 3561.32 3358.66 3558.66 2924.07 3427.96 2618.53 3426.86 3251.17 5-Hydroxyaloin A 6'-O-acetate 648.18 571.56 1522.9 2697.4 807.65 1081.51 2944.04 1780.68 3023.63 3411.23 2134.35 2323.57 1712.07 1894.21 801.97 2671.32 2048.23 339.8 1754.33 1267.56 2956.75 2479.73 1823.12 762.13 2532.5 2518.39 1882.68 821.3 1586.33 2708.49 1470.83 1046.95 4503.93 1808.05 416.79 930.45 2144.45 1397.5 529.48 599.63 1664.05 1585.91 3254.03 2642.52 1031.1 836.87 815.66 2025.23 1946.65 1750.55 2071.57 1555.41 1185.41 1272.47 1731.35 692.41 845.72 1946.89 545.61 2021.1 2925.18 1070.22 2228.31 2585.67 1227.13 893.89 2199.91 2395.01 550.27 1935.72 3562.28 1601.66 2177.48 2979.34 1380.23 2866.99 2461.47 2382.15 2579.33 2541.37 2793.9 1552.6 2775.75 2795.05 Serylvalylarginine 7345.15 9504.39 9393.82 1362.69 4687.67 6455.28 9067.3 11793.08 7668.32 7784.68 9873.22 6283.36 2027.5 9289.24 10208.43 6860.86 7596.89 12088.15 6149.92 860.27 11533.17 6956.16 6633.46 5994.74 613.56 7059.11 778.34 7408.22 710.46 7107.27 638.39 11367.69 8260.68 9716.47 7156.92 17757.15 9675.56 14979.6 11239.84 10255.21 6963.74 7309.75 9222.91 10569.12 8016.15 4418.56 7872.43 9028.27 6412.57 8823.28 7064.15 7473.47 7451.88 7129.24 6979.52 9472.26 9294.96 8812.37 10465.32 12849.14 10292.25 10452.51 7240.06 8610.05 18021.38 10320.69 12845.95 12082.79 15197.43 7269.46 9534.7 9128.23 5191 7109.77 6334.22 6365.6 6979.72 6741.09 5697.76 6187.08 7166.93 5485.48 5561.63 6887.3 N-(9-oxodecyl)acetamide 4797.64 4527.09 6384.94 5647.54 2147.06 4967.34 2717.46 4625.16 5255.33 6255.78 3991.35 8239.69 661.6 4476.63 4988.19 5294.34 3187.46 3076.47 5157.23 5107.18 3501.99 4596.97 4177.29 4658.3 5149.26 5043.02 4040.23 4915.59 5090.9 12571.6 3578.59 5265.29 4984.47 3942.14 6405.96 4933.03 3915.4 5353.8 4977.64 4312.83 4045.58 8515.62 6072.75 4955.22 5133.26 2824.22 3771.34 6093.35 5954.8 4753.43 5894.16 4097.68 5797.88 4420.02 5613.95 5243.35 4772.07 6432.11 4408.02 7237.62 3345.72 4202.05 7362.27 6119.68 4883.82 5494.46 3139.9 3947.05 4708.52 5621.75 5111.83 6716.26 4589.04 5668.06 5155.99 6258.81 6131.67 5840.77 6166.18 6279.14 6233.19 6209.45 6080.42 6251.69 6-(2-Hydroxyethoxy)-6-oxohexanoic acid 669.11 111.8 15.32 85.29 14.89 14.88 14.89 155.08 15.54 14.82 148.18 14.59 285.66 151.01 118.75 14.94 157.46 14.84 14.89 14.84 20.11 14.89 15.59 99.14 15 15.52 18.99 18.13 14.88 19.69 15.21 14.89 14.88 421.5 566.03 14.88 299.91 20.3 15.56 150.13 14.89 14.65 15.06 141.34 14.2 325.42 14.92 14.89 17.67 14.87 14.89 14.89 222.28 265.21 257.38 14.89 16.76 15.86 15.07 18.36 178.38 14.89 935.01 214.25 163.43 305.78 17.14 17.37 317.91 125.06 15.54 14.9 286.43 14.86 74.3 116.85 72.49 72.4 112.4 112.57 118.55 104.44 101.36 72.45 (+)-(7S,8S)-guaiacylglycerol 7951.91 8110.34 9823.62 5152.33 14431.07 29187.7 19206.97 9391.47 11679.42 4426.47 3449.7 5351.32 14162.48 3394.59 9512.43 7147.46 5912.92 4764.72 4611.46 11250.4 7940.55 24361.5 3410.1 9001.08 8231.04 10237.46 3938.18 4962.02 9633.31 3506.54 8343.68 8841.06 6754.92 9555.96 5831.35 6448.73 10654.29 15652.67 4917.41 4238.5 8164.25 14266.17 4663.08 3473.77 9251.75 7020.97 9591.47 3189.35 5133.26 11265.05 7402.28 15963.69 7948.17 7124.14 11550.14 8803.31 3423.37 6540.77 7299.82 15923.23 7310.16 8150.33 6366.31 6019.67 4554 14690.45 10581.86 4718.09 6282.94 14155.29 7485.4 6374.34 3423.66 6224.81 13683.31 9754.5 9763.97 9912.04 9917.53 9752.13 9950.97 9648.28 9910.89 9751.66 1-Octadecanoyl-2-tetracosanoyl-sn-glycero-3-phosphocholine 442.11 464.48 264.95 518.01 727.57 462.53 485.36 1116.02 517.54 1223.96 634.69 389.8 392.86 416.06 558.52 382.71 496.54 676.35 519.2 386.73 885.83 391.57 238.7 537.57 370.88 538.03 347.02 608.82 420.52 294.05 752.15 548.76 491.26 2790.89 340.58 3008.53 2022.54 665.07 1246.09 674.71 596.63 2238.26 1627.94 633.87 2464.02 969.14 1814.01 5125.11 940.12 1871.72 2240.75 1538.36 1023.63 944.33 2817.05 3376.75 1641.46 1496.67 4206.97 681.04 2225.08 677.02 889.2 2556.57 2646.7 2052.95 1628.97 1054.94 473.7 4094.61 1989.4 2259.66 663.4 293.5 1306 1990.69 1951.35 2034.41 1999.39 1997.51 1912.86 1983.61 1913.53 1903.61 Azaspiracid 2 2034.95 4717.77 2432.1 471.42 706.72 3208.07 8268.68 5621.65 3879.59 4581.81 1776.39 3208.75 5725.27 4109.49 2193.95 2843.52 3474.26 3290.42 1694.32 4007.72 2217.17 5385.78 415.57 1993.27 2583.16 3127.34 1582.92 3022.94 8433.53 5016.9 4344.47 2267.26 1364.61 3983.73 2815.79 7729.89 4053.77 4435.9 2338.03 2628.83 7098.27 5995.24 1614.66 2345.71 6088.83 3548.98 10077.59 4945.13 4792.05 7867.49 3634.86 3904.58 2481.85 3179.47 3018.93 3662.81 2142.03 1889.16 4633.77 3367.66 1851.01 2905.77 3516.62 2049.46 1962.37 3210.65 5295.88 2479.05 2294.1 2655.59 4355.42 4494.59 3120.66 3803.27 4150.63 4640.3 4560.7 4609.64 4579.68 4558.54 4612.36 4600.77 4610.33 4491.27 5-methylphenazin-10-ium-1-one 11478.47 10305.32 4662.5 7835.18 10052.02 12366.02 14674.75 9889.67 10488.94 11147.28 14437.22 15354.05 17818.95 18315.4 10426.53 12986.01 8727.55 11746.5 11109.85 5964.91 9694.11 7099.55 10625.55 13572.81 10837.39 11942.54 13009.1 16279.56 11117.86 4699.98 13956.2 14863.19 5060.9 15897.42 12103.63 11845.14 11590.13 10824.17 15162.51 9812.15 10153.92 17000.75 12749.63 13577.38 11520.41 14967.52 10638.06 9998.65 10166.3 17748.01 13138.45 12499.6 14873.12 19137.15 10164.72 12458.79 5707.88 5426.02 8150.11 5923.77 10401.49 9318.03 10068.22 8641.59 6392.5 11988.6 9135.44 12729.41 13255.91 9684.94 8129.14 12392 12349.68 8737.68 14925.48 11920.37 11798.05 11920.9 11873.1 11801.31 11928.78 11802.37 11923.61 11797.43 2-Hydroxy-3-(phosphonooxy)propyl octanoate 2170.02 5099.46 2572.05 2564.74 940.61 3387.7 1482.24 3958.31 2699.43 2207.36 1131.94 3636.56 2350.6 2209.29 4202.54 2084.79 2979.25 1188.2 4829.65 1592.5 3562.5 3037.76 927.04 8520.47 3590.61 3295.85 4509.39 4861.07 4095.59 3375.16 1479.86 1199.85 4326.44 4488.31 3015.86 1287.13 1953.67 3133.76 3137.16 3763.47 1132.72 3226.59 2909.85 3181.65 3058.06 2629.25 2836.69 4264.52 1941.02 3552.74 1288.13 3250.44 1927.79 4949.27 1482.95 6143.39 2615.05 2328.92 3454.65 4405.34 3565.25 1118.41 1955 3778.03 1922.99 1321.25 4534.14 3181.28 2767.36 2705.21 4336.88 4335.1 1894.49 2856.65 2669.14 2749.18 2428.89 2725.9 2145.01 2432.28 2548.55 2455.87 2538.69 2402.54 2-(4-Methylpentanoylamino)-3-phenylpropanoic acid 2125.42 3362.25 2021.75 2188.76 1429.99 828.94 2042.66 1750.72 2638.86 1084.2 2478.43 1945.47 8209.17 378.9 2956.9 1434.86 577.45 1312.09 1981.74 654.26 1080.3 570.22 1367.69 496.65 1115.82 461.01 378.32 1922.71 2656.42 1313.41 634.85 1586.74 785.15 2401.66 2762.88 2518.97 978.01 466.93 1862.8 1238.55 983.53 1177.04 1531.46 1762.45 1436.48 3647.24 2694.95 3731.26 1946.88 3260.96 1580.15 2613.27 4206.3 5392.38 1475.9 1497.98 2058.46 1154.86 989.19 802.04 1533.62 1970.82 565.83 2426.87 2211.73 589.78 1496.66 4522.92 2894.87 866.68 1840.6 1117.59 2285.04 5238.3 4834.19 2238.65 2259.62 2335.67 2361.85 2243.45 2190.38 2337.31 2266.92 1525.29 2-(8-Hydroxy-2-oxotridecyl)-6-oxopyran-4-olate 1511.43 1100.55 1961.94 802.13 1473.17 627.29 2509.24 1935.06 4987.02 3553.48 1653.64 2163.08 770.92 662.31 4691.12 3995.83 1082.74 4273.39 2093.31 557.94 1333.27 1744.58 1058.48 2306.71 829.92 599.88 667.76 2055.49 1105.54 1863.24 1695.85 1810.04 1487.81 595.34 1623.57 1599.52 1146.34 1487.87 611.48 3767.95 2447.01 1218.87 2217.2 847.55 1724.94 1929.83 937.19 4302.28 1352.36 1683.25 2170.47 2251.76 2925.73 838.33 2109.72 2270.84 1508.53 2099.05 1963.56 1137.71 928.09 1471.5 1103.74 3525 3047.3 4498.75 2780.31 981.78 2287.06 2588.57 2979.82 2430.57 3614.2 3071.04 2170.65 1424.04 1536.62 1284.74 1370.96 1548.73 1404.13 1631.53 1522.94 1313.97 PA(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) 12813.7 15988.14 3908.76 11614.43 9451.95 1226.57 1522.75 17570.88 15564.82 15923.42 11737.9 517.94 916.11 1272.5 878.94 631.02 458.79 1418.65 1395.58 2355.07 9780.18 1110.69 1218.86 5788.59 4830.71 2131.24 540.8 9042.46 1240.8 4732.22 421.76 6403.89 6266.85 30115.41 11677.2 8221.65 24292.73 26780.72 18967.41 14784.5 16724.18 31113.39 13503.31 15440.86 54358.24 11937.88 8131.99 8282.37 5605 6419.4 16675.2 12913.92 16750.47 12034.27 19786.87 20505.22 14916.54 9679.78 20390.41 13882.75 15692.44 25315.54 15863.14 18814.87 8367.02 21429.84 38499.09 14836.57 15524.37 25325.73 15262.89 36380.04 18982.81 19199.04 11015.43 20098.78 19572.37 20100.9 20433.57 18273.54 19695.65 18798.81 20121.12 20103.31 Fenuron tca 708.96 683.17 1097.68 1335.06 1031.56 912.01 1071.91 1855.79 1125.39 795.66 1458.76 746.61 767.38 681.99 775.36 487.23 562.72 485.03 894.31 1294.43 510.28 455.61 746.85 579.91 472.46 481.16 1351.13 479.33 655.56 823.82 1139.73 853.69 831.58 486.53 1213.1 490.82 984.02 646.41 679.05 502 765.65 1039.9 931.44 873.29 793.76 669.59 394.86 675.72 737.09 553.25 1097.16 940.07 784.31 907.06 615.24 1032.56 1192.14 787.81 424.1 773.31 1276.1 670.16 1126.12 1451.84 439.69 513.53 1418.72 1175.39 1028.82 1430.8 1400.07 557.79 1338 896.16 1015.38 14168.45 20449.41 29549.92 16235.47 27388.81 21191.97 14920.11 15510.54 15869.56 17126.87 26110.44 15175.6 15908.82 14163.8 13437.48 16341.75 14755.9 29846.83 23446.4 14213.04 18799.3 15674.08 15394.75 13695.19 23309.3 1060.49 1072.08 1110.72 1093.07 1033.06 1208.66 993.97 1108.3 1118.06 N,N'-Trimethylenebis(2-pyrazinecarboxamide) 1567.74 955.04 1852.05 2128.98 2825.65 1851.93 4836.32 6086.29 3267.95 907.26 2432.25 823.08 768.33 760.64 3145.4 1145.4 1946.19 1798.34 715.58 403.27 2868.44 1743.74 576.91 966.82 2256.67 2804.56 2533.79 850.39 6205.6 1994.57 2231.86 2357.65 5228.84 3719.47 1456.56 3203.78 6239.49 2024.47 2732.23 3722.87 3967.48 2544.77 1908.4 1367.99 1236.82 2607 4607.04 1360.71 439.87 813.56 3501.65 1104.25 1237.97 2327.13 2525.41 899.5 2051.06 2597.54 3018.01 1975.16 2067.68 1102.17 3785.82 2184.9 2737.14 7273.07 877.41 2244.7 1999.6 5113.44 3500.23 866.66 3172.03 2307.47 1430.58 3745.96 2425.81 2943.18 2690.96 3129.44 2544.43 2704.49 2629.07 2815.68 L-4-hydroxyphenylglycine-L-arginine 9946.34 5450.74 10586.1 11781.98 2208.41 6849.65 4053.03 13734.47 2597.18 9619.15 10596.8 16820.04 7509.04 11624.72 17040.15 19437.76 13328.19 1533.59 11597.98 1928.63 20743.59 6199.15 8686.75 13520.78 2552.22 4535.26 8550.92 13891.52 8158.73 10092.61 15805.31 8071.09 15423.11 12538.35 20173.23 8291.06 14455.24 16758.81 4078.57 9217.7 16550.82 7628.67 9911.43 11612.19 1701.94 7195.76 8067.18 4440.11 825.33 15866.77 4215.25 7559.76 1815.01 8644.85 3317.85 12115.87 6555.34 11285.63 14047.59 4655.22 2169.25 8404.99 6116.15 27631.44 12385.43 4415.06 7588.36 2558.23 5070.2 10278.49 8268 8437.91 2503.78 11585.42 11095.42 10186.91 11408.18 9927.59 9585.79 9274.67 9789.02 10590.43 10597.4 12001.58 3-O-beta-D-Glucopyranosyl-1-deoxy-L-erythritol 2249.22 2166.45 2923.5 2895.89 3054.15 2122 3231.73 2381.02 1849.35 3290.48 518.6 2772.63 2490.65 2681.48 2822.79 3400.74 3065.58 3275.72 3171.63 1935.4 979.13 13762.93 1722.27 1441.63 2647.53 2105.47 3288.05 3454.08 2677.52 3732.21 1869.74 3043.64 1593.51 3162.86 2836.61 3528.51 2353.82 1890.98 2817.33 1932.15 3557.22 2267.67 1892.9 2129.59 2261.62 1942.71 2305.57 2407.1 1075.19 3151.14 2941.24 2326.5 3338.87 2564.11 1850.48 2900.47 2792.85 3141.15 2633.35 1804.89 2171.23 2351.48 2496.32 3537.5 3229.91 3343.37 2751.98 3646.81 2361.79 2540.69 2629.12 2834.26 3501.24 1985.62 3375.36 2851.92 2519.04 2852.61 3012.35 2845.25 2912.83 2857.97 2840.67 3061.7 gamma-L-glutamyl-(S)-trans-1-propenyl-L-cysteine 713.01 2316.35 3202.8 1574.32 1477.28 1443.24 1897.59 2223.85 3708.38 2786.16 2055.64 1250.65 904.87 2195.58 1279.71 1808.74 1168.74 635.55 2829.09 1708.67 1812.58 632 2644.7 866.6 1309.68 1443.56 1150.47 2807.53 681.27 2109.86 2521.94 3108.28 2070.41 661.08 3043.55 1934.11 2952.1 2106.17 1151.48 1765.79 1117.15 2562.8 2431.85 2299.65 2079.92 1389.09 1640.92 3465.05 1176.58 839.58 1502.13 1108.44 1105.11 904.9 1954.38 2645.55 2228.71 2018.1 1686.01 1181.09 2535.45 2136.94 2403.64 920.12 689.88 1957.63 839.08 1972.91 3032.8 1828.18 1154.67 2471.29 2448.46 2447.4 1145.07 1469.71 1594.14 1623.59 1520 1583.73 1543.76 1252.09 1642.45 1620 Aspartyltyrosyllysine 1541.32 5650.13 563.43 922.75 1521.97 593.2 1734.29 922.3 1068.76 1627.51 1068.45 4311.07 2615.7 1198.49 6922.15 388.01 1936.69 5792.79 1868.05 7543.93 3524.65 702.71 1155 4548.22 3660.23 2925.02 1239.5 760.62 4470.89 1611 4330.54 4834.62 1711.76 1327.55 1396.49 3095.94 3133.73 1341.05 1002.45 1105.91 8245.56 6249.55 1529.26 867.88 3350.17 632.91 6107.27 3110.43 1468.91 1338.16 1027.87 1282.05 919.41 1113.21 2901.6 952.3 1345.39 1448.49 412.25 1186.38 1179.25 1194.91 719.32 1332.7 957.19 2468.45 3571.67 5071.56 4714.59 3499.08 1996.74 2026.45 832.66 3525.68 3513.04 2432.24 2655.47 2032.15 2604.97 2745.78 2008.08 1231.65 2860.57 2969.66 Pgp(16:0/22:4(7Z,10Z,13Z,16Z)) 984.38 948.09 1410.67 850.08 907.42 470.87 986.02 611.72 909.11 686.03 416.98 897.41 409.95 821.98 931.83 917.94 745.49 1808.11 883.96 874.96 1114.26 1355.5 422.42 599.43 757.97 838.43 942.8 526.11 937.07 625.19 1174.88 698.11 700.58 1179.34 661.85 810.49 1710.79 1181.44 349.71 1122.23 664.96 810.95 779.58 666.21 1383.85 1492.16 891.98 363.98 766.97 997.07 1109.5 430.62 1435.26 911.64 790.14 483.3 2170.02 747.85 920.91 2239.64 411.36 414.24 1407.23 824.38 819.82 1180.08 1692.53 608.51 662.76 705.84 954.82 1561.49 727.32 892.09 1252.63 1165.14 1163.01 1160.83 940.13 1077.39 1239.54 988.22 1236.02 1097.34 [1-(2-Hydroxyphenyl)-3-oxopropan-2-yl] hydrogen sulate 599.92 2061.31 974.15 1026.09 864.42 779.87 1063.83 456.34 1228.85 1740.43 479.31 1157.75 861.21 1034.87 1570.27 1012.22 1206.29 1443.07 1375.44 1410.2 889.73 835.32 1272.64 773.15 1485.12 845.88 1947.85 1005.67 1295.43 1403.01 554 422.37 748.76 966.55 1007.54 1411.93 1205.7 726.39 1602.86 1786.44 745.5 934.67 1649.13 1629.55 1270.34 1750.27 814.25 2573.71 890.08 1393.75 809.01 835.95 1260.16 693.98 802 787.38 1095.2 1224.84 474.17 1151.84 853.09 1280.7 852.11 1070.67 1519.69 680.94 787.59 1912.71 2028.34 1629.6 1985.08 2168.58 1244.38 1050.3 1419.93 1263.94 1322.68 1533.76 1229.17 1276.05 1282.69 1336.67 1325.77 1319.2 PC(14:0/18:3(9Z,12Z,15Z)) 12610.29 1433.31 1153.38 1988.92 5446.82 961.07 4158.12 11089.82 10015.29 1686.3 3182.63 4585.45 1245.72 708.76 1551.65 1263.26 1632.38 5226.51 2753.89 706.81 1220.14 17826.32 3272.52 1458.3 1933.36 2640.79 2582.25 1756.15 4045.23 1499.06 3942.87 6889.91 2062.48 2619.52 4569.67 6227.5 10988.9 16328.22 4091.63 3354.67 7647.44 11965.86 2874.31 722.12 11211.74 14681.42 7453.38 3459.43 4187.87 2397.32 13107.68 6293.64 2084.02 4137.65 4262.04 9987.87 2694.05 3904.18 8974.9 13007.83 1072.42 1061.45 9738.38 4910.61 4928.91 20346.01 18386.7 5269.53 2823.06 9662.55 11797.8 3197.44 1009.55 1003.35 5461.41 1994.89 3361.06 3238.87 3104.32 3663.68 3290.88 2071.22 4180.43 2831.67 1-(4-Fluorophenyl)-2-(pyrrolidine-1-yl)heptane-1-one 1303.75 1741.91 1394.94 5734.65 3277.06 1274.47 1724.05 1106.04 1701.72 1992.52 1903.78 1340.22 2567.74 1493.58 1583 1502.16 2014.71 1983.69 1728.57 1855.29 1815.03 1570.74 463.25 1578.06 1626.09 2469.4 1961.07 1876.71 1408.77 2564.77 1893.75 1990 1502.89 1895.41 1546.51 1363.95 1894.34 2915.54 1936.77 1711.18 4309.83 1844.04 1474.99 3057.41 1593.6 3313.68 1689.21 1627.69 1824.81 1480.14 2355.33 2380.28 1704.53 1046.63 1521.64 3203.4 2806.87 1919.9 2815.32 6942.26 2217.33 1701.7 1855.63 1911.43 2211.88 1642.61 2487.26 1692.68 2980.18 1898.65 2089.44 4717.55 2032.67 2533 1979.37 2766.76 2597.84 2806.82 2802.04 3027.65 2609.29 2787.63 2782.72 2600.11 2-[[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium 25423.69 12296.63 45441.25 3478.53 15454.09 4684.21 9360.5 47681.33 39607.48 31857.59 21432.75 26569.72 17294.11 12426.96 15013.86 25137.37 18735.26 542.59 446.52 15180.88 58957.75 14204.86 31349.35 15826.4 43642.33 35133.18 2110.14 26016.32 46617.46 18808.58 10411.29 42029.79 26127.46 43487.29 22908.66 48585.38 34598.74 5198.67 31139.25 12126.9 2245.17 32297.02 33963.77 11493.73 17545.59 18088.53 38853.4 49294.81 99496.42 47679.39 23911.43 34719.73 40206.22 19389.78 44431.46 23430.31 67965.72 17366.11 25638.14 4186.69 24663.97 29906.85 28660.99 50856.55 22645.24 48630.3 5959.07 25443.02 11597.43 54600.46 20472.95 46385.17 37382.57 28853.5 43985.02 1936.98 1204.74 4890.03 3281.78 4086.75 1691.17 2113.99 989.48 16354.19 5683.35 8982.99 25991.83 6748.46 32406.63 30779.78 34098.96 32507.19 32493.33 24947.61 30955.15 30982.46 31614.44 6-[1-(3,4-dimethoxyphenyl)-2-{[3-(3,4-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 3016.4 4083.28 1182.44 1234.49 1227.41 4614.83 2330.78 2839.08 2647.94 3618.74 3158.51 638.35 502.86 2943.21 1355.71 964.87 634.14 606.7 2658.71 2337.81 1019.41 2124.81 733.68 1919.69 1095.54 449.36 406.5 1564.65 3716.61 2274.23 5539.47 1755.41 5517.8 3481.11 2532.28 4731.35 10040.32 3012.23 872.28 2045.88 3921.65 2787.7 365.93 2799.66 7323.69 1188.18 10683.02 2821.11 3358.87 2549.77 1989.01 3365.62 2871.16 2547.77 2251.74 2360.55 3488.38 802.44 8106.89 5138.33 2601.1 2346.72 5578.68 3850.95 3038.72 333.46 10868.06 1526.33 2005.42 7568.76 10077.23 3360.13 1240.69 4198.13 1674.62 4891.93 4725.22 5081.65 5073.78 3826.06 5155.01 4950.98 4731 4879.64 9-[(2S)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one 2280.51 1498.74 3304.78 2064.51 2142.55 8920.23 2585.93 3221.56 2991.57 3343.61 2701.15 2958.12 3852.21 2826.89 2330.52 1725.49 2948.93 2261.62 2008.83 7623.67 3883.07 1966.13 2664.95 2941.51 4142.11 2051.68 4575.76 2165.69 773.39 1444.81 1812.76 2395.84 4168.4 2677.9 4801.39 2580.87 2171.48 3218.55 2339.56 2497.33 7381.49 6887.73 7634.32 4742.98 5409 3021.17 6648.3 7538.68 4030.05 3800.74 4671.54 3822.83 3338.44 2729.6 3322.34 3482.28 4137.64 2998.61 4370.4 2417.08 3692.73 3112.63 3591.3 3981.64 2426.5 3265.58 3686.27 3594.17 2566.01 4117.99 3160.21 2752.29 5807.77 4150.39 3624.02 4208.52 3926.62 4741.77 4161.96 4409.39 4030.7 4025.04 4217.78 3951.44 (2-{[3-(3,4-Dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium 8084.34 6948.6 2679.37 1301.47 6239.6 11503.9 8416.26 6667.62 10308.01 6203.9 6629.59 3451.34 1318.12 2186.74 9809.86 7936.84 3493.9 4039.71 7476.83 8572.35 8301.57 5524.33 2019.72 4698.56 10479.98 8369.83 5551.77 5779.76 7077.02 3315.67 5512.53 4337.05 4805.18 7024.77 5322.49 7575.06 10384.01 8057.62 4131.39 4632.44 6396.7 11473.2 4886.07 3893.7 7428.8 4454.1 10280.01 5157.16 2277.6 7352.38 6413.95 4927.67 4796.9 7027.91 7434.63 8417.22 2174.49 2846.78 8949.04 7514.53 1039.47 4495.37 8414.59 5139.12 4131.37 7125.13 9562.32 4569.46 4331.72 8185.12 8239.4 7491.79 2993.79 5286.78 4787.89 6029.3 6054.28 6045.21 6279.67 6027.68 4722.95 6266.57 6320.73 6293.29 N-(2,4-Dinitrophenyl)ethylenediamine 1642.44 2048.76 3026.7 1627.42 1885.65 1207.67 558.52 2005.34 1547.27 1098.1 475.56 1096.22 978.08 2359.09 1584.86 2477.11 1482 2384.86 1724.93 1242.19 1607.17 1376.89 1271.41 2158.82 1612.84 1711.11 1825.31 1534.91 1161.34 1176.12 2170.81 2751.96 841.77 1636.14 2614.21 1985.3 1662.7 1195.26 2002.55 829.74 1762 695.09 2043.43 1697.34 1198.84 1608.55 1730.77 1572.35 800.56 1735.35 1141.09 1545.36 1556.2 1281.08 1998.39 2494.84 1339.77 1445.78 1428.05 1836.01 1572.23 1263.83 1157.45 1646.3 2438.43 2416.2 1624.29 1903 896.88 1074.33 1579.79 1947.53 1034.39 1105.83 1370.76 1714.3 1981.68 1775.03 1840.34 1836.27 1838.9 1768.55 1846.56 1801.39 3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxyprop-1-en-1-yl)-3,4-dimethoxyphenoxy]oxane-2-carboxylic acid 7745.05 4758.76 2897.48 1103.14 1818.52 7980.74 8639.29 4764.28 6357.92 7907.02 871.11 4770.8 1245.09 1167.66 5181.5 988.48 1837.86 999.95 1478.65 6481.61 4966.92 1978.95 4513.51 3228.62 6133.27 12676.91 1958.18 4969.9 1109.84 2849.44 5523.32 8234.77 5084.36 5358.46 670.64 1044.21 5215.83 9147.47 1631.19 4644.39 9264.78 9657.24 3496.25 912.94 5899.74 2392.58 3859.67 5736.87 3409.79 3063 6292.15 13104.41 1141.73 1318.18 3257.69 8907.42 1690.73 1600.44 5330.4 6459.07 2337.31 10220.97 6797.73 899.05 2656.74 3482.24 1682.54 1033.78 855.43 3052.85 5043.14 10321.57 3404.21 9590.69 3394.13 5745.26 5856.66 5991.92 5869.59 6238.34 5978.25 5661.92 5633.37 4516.69 1',2'-Dihydro-1,1'-dimethyl-2'-oxo-4,4'-bipyridinium(1+) 7640.47 9552.5 2397.98 519.28 4463.55 6646.89 1451.68 3656.88 10822.34 6552.98 4212 5511.71 4578.01 3522.04 8307.61 6020.78 2792 10826.59 5349.81 13290.91 6787.67 5026.96 1737.55 4377.36 9044.97 10068.06 6887.08 2174.06 8767.65 4827.63 11654.38 8677.58 6409.69 8371.99 3635.72 5598.42 6120.36 2494.1 4791.22 7292.3 8988.04 10424.95 3465.31 2509.27 9081.77 4311.84 10115.82 3108.67 2337.86 7307.65 7702.9 5682.38 6808.11 743.08 3660.07 4043.09 2924.45 3212.49 7017.84 1517.13 3464.91 3165.4 9176.34 5069.58 3002.54 8070.87 7233.6 2924.25 5176.84 10800.97 6366.05 7161.03 3248.82 3961.92 2587.92 6115.5 6431.83 8165.05 6109.43 6569.83 6527.48 6123.9 6586.48 7293.14 Glu-Ala-Asp 1051.76 682.62 3010.12 6820.77 4300.04 4279.17 5059.27 2584.39 460.97 1769.42 3202.35 3713.4 6280.63 2790.72 2353.99 3066.32 2840.05 3680.55 4036.94 1306.08 1687.21 2418.6 3752.16 4341.09 3854.6 522.2 3166.24 3803.41 2228.58 1333.32 1181.74 4405.63 3425.79 4218.41 3966.65 1950.97 1156.59 677.14 5393.98 3635.68 471.45 2161.34 1875.49 3807.13 3823.37 3914 2750.5 5690.79 4218.68 4616.18 3658.93 3925.29 5785.7 4479.44 439.61 3711.14 2426.25 545.53 2208.11 1970.67 3776.14 5294.29 866.87 2432.79 3095.36 5331.88 1853.67 4115.93 4025.55 2638.89 4399.1 3723.02 563.01 4343.07 4716.15 3510.14 4096.44 3882.91 3643.25 3804.98 3391.64 3956.96 2209.91 3580.52 (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraene-1-sulfonic acid 20572.41 4981.75 5731.69 4574.24 15812.05 19697.07 9751.75 7356.97 13548.75 4275.14 4385.75 13239.89 1336.32 5815.44 6575.59 5338.28 1094.58 2728.17 427.8 16510.08 15197.96 2143.02 2209.38 3343.25 5345.3 7472.53 1799.51 381.11 16390.57 1959.56 8217.75 4110.88 2929.81 2910.88 1078.86 4996.89 11624.01 2649.94 2271.81 3678.49 3944.47 2123.19 3099.69 2227.07 4494.27 3321.03 4655.12 5133.31 1452.85 2125.83 7623.25 6335.68 3568.79 3405.43 1232.64 4842.95 1136.08 4284.88 2229.47 11391.08 3129.69 3395.74 10603.73 1961.65 3874.61 3929.21 6722.48 1541.83 1544.84 7983.2 4865.87 1251.92 4048.46 3591.54 2656.47 5237.45 6477.22 5575.76 5193.36 4952.02 2670.85 5772.25 5223.81 5730.07 Prolyltryptophylarginine 1375.78 1019.07 1170.54 450.88 1077.94 1274.57 1713.63 2589.63 1394.29 3360.04 2425.45 662.41 428.37 2334.23 1401.89 1540.11 1047.07 660.34 1417.31 1321.22 718.75 1022.16 1174.4 1416.43 1157.1 606.65 1541.1 4270.85 1152.55 1651.64 1236.69 1070.22 1497.79 2277.88 1247.84 1712.66 2050.19 5149.34 3220.74 2437.16 576.68 1169.1 956.33 1528.03 1578.31 1592.96 1824.39 652.36 1351.8 1550.27 3119.47 1929.19 3529.12 1296.17 2504.45 469.65 3084.74 1418.23 453.53 1293.17 3486.91 1736.73 3252.48 1549.56 2084.71 2368.76 903.94 4780.49 846.7 2689.79 1121.44 2169.88 2398.52 1864.57 1036.23 1676.09 1872.46 2059.61 1879.5 1878.13 1756.6 1646.39 1735.13 1780.13 PG(18:0/18:3(6Z,9Z,12Z)) 3413.39 1688.7 11334.94 3131.11 5278.94 2611.17 2276.85 16508.21 558.03 3176.35 1901.95 9115.14 9608.58 3331.74 2951.45 2781.94 5723.68 1969.26 16738.4 773.66 835.21 2444.35 4055.83 1412.92 7859.98 1491.24 3625.51 2816.68 1942.06 3312.66 2103.33 10338.04 8969.99 12205.94 4912.3 19826.32 6671.45 410.71 1529.75 1097.94 587.16 5548.98 6376.55 2890.04 3034.77 1866.67 7265.34 18247.79 17421.31 8930.75 11823.4 11896.41 31651.8 8942.28 17337.62 2093.45 8961.84 472.34 13166.14 914.88 8749.49 4643.22 10113.38 29955.41 10862.92 5503.32 2281.06 1093.2 597.91 21188.58 2145.06 1333.82 8619.73 6822.45 4211.07 5123.79 6250.2 6101.73 6149.35 6278.85 6215.23 5976.5 5980.28 6219.23 Tapentadol O-Sulfate 1885.89 2467.66 489.34 704.53 3008.24 597.81 500.67 1427.97 619.35 864.94 1073.28 1119.18 731.86 1094.69 1897.56 1253.62 1521.93 2476.49 922.56 2066.13 766.06 1043.98 686.57 1031.69 1402.61 2049.62 1361.59 1065.23 2087.79 426.28 892.77 1032.64 1496.63 860.49 1040.89 1354.61 917.44 948.24 957.76 2306.46 1310.09 586.27 938.3 939.38 1027.87 2649.75 595.77 444.12 11242.84 1359.06 780.69 640.63 625.18 465.14 606.89 922.92 1367.34 1308.76 2150.54 1347.92 1548.62 1379.81 2441.81 1115.78 878.26 564.23 1614.03 4388.9 807.33 466.15 1209.67 1175.52 1192.94 1170.17 588.12 1433.48 1357.39 1201.88 1426.73 1184.92 1421.05 1530.61 1056.44 1449.3 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dimethoxy-3-(4-methoxyphenyl)chromen-4-one 1011.81 592.73 664.86 6727.15 1042.4 1042.07 873.32 270.09 206.08 690.41 716.82 693.23 1010.56 535.9 366.61 2609.71 540.94 282.97 456.06 693.64 1261.22 7277.23 824.47 505.93 222.19 309.55 356.87 1254.55 293.93 1017.36 221.29 811.79 363.87 396.76 647.88 4321.44 4776.82 748.51 1064.24 2153.54 4410.34 5116.43 614.63 938.03 3021.43 484.8 3375.39 2272.91 2241.7 1071.14 3271.84 1777.92 363.12 455.62 2997.26 1028.18 1183.98 659.23 1687.84 314.91 383.04 286.14 964.39 702.12 1142.13 2937.81 1995.09 2281.36 2481.55 3772.95 2669.33 2919.71 2319.8 864.92 1252.1 2620.05 2513.48 2526.03 2559.17 2530.44 2613.87 2656.22 2609.44 2318.77 1-Adamantan-1-yl-3-(3-hydroxypropyl)urea 2846.88 2581.41 1220.66 784.09 3695.28 2911.72 598.17 2357.32 1614.58 1641.92 717.93 1008.71 3312.69 1823.8 2651.96 1386.4 1109.79 1132.51 3750.59 1235.17 2626.57 507.61 1185.83 787.62 1947.41 2898.42 1147.65 829.54 1825.48 1472.61 547.74 2504.52 1690.3 2235.68 1223.75 5099.23 2710.11 597.28 1450.15 627.15 1764.96 1851.55 1481.18 1322.77 3439.14 591.33 1090.12 3113.59 2948.92 1347.21 4029.8 3062.47 4579.47 2609.37 1201.48 2370.11 814.54 1172.32 2973.96 920.9 3416.7 2661.09 2867.28 774.82 911.61 2676.8 1480.49 748.46 1100.49 2422.07 1942.51 1297.68 1053.59 1620.47 849.21 2131.6 1679.8 1831.85 1824.87 1851.35 1732.1 1707.51 1313.04 1688.57 beta,beta'-Thiodi-L-alanine 160.43 257.99 1356.7 1306.44 155.45 3015.38 828.4 331.75 203.34 306.28 439.59 612.43 1559.32 172.16 181.95 813.74 199.4 394.09 803.35 637.46 292.82 2203.5 241.26 321.26 287.16 275.35 237 297.23 1017.74 693.88 163.4 672.96 148.91 883.17 179.31 352.41 191.14 3179.56 379 143.98 169.11 495.07 164.71 162.23 178.91 365.75 499.8 305.35 507.18 688.79 234.96 496.29 203.87 228.81 231.82 189.84 1955.81 1902.56 228.91 2007.25 211.63 291.74 205.81 165.81 159.89 255.38 322.88 155.14 296.39 144.75 230.53 180.71 274.96 436.32 305.91 1126 1127.77 1139.44 1047.06 1173.06 1138.32 1114.22 1125.58 1139.18 Cysteylisoleucyllysine 7328.75 13955.99 2657.56 21373.96 4059.47 640.3 6601.32 1938.23 5598.79 6392.7 4677.38 3569.89 4754.04 1655.15 3786.3 580.93 4161.77 661.78 5614.58 822.22 3734.22 4370.67 5494.18 7613.01 5112.2 1234.33 1423.15 7394.22 897.8 1336.37 1739.1 2205.64 2216.77 7183.21 7153.2 7651.38 5080.2 12960.42 4035.96 7126.45 2994.34 1737.04 9004.4 7612.72 8650.5 1741.42 6846.17 5584.25 3777.73 10703.07 4047.25 9224.44 21991.96 12461.16 1082.34 9165.2 3888.87 21454.61 1091.69 4226.12 784.71 4825.97 1502.85 3695.56 6257.67 6838.02 5694.23 3978.03 3654.95 7967.56 3310.16 5149.02 8013.02 3747.5 4464.02 5844.55 5970.99 5737.18 2855.63 4947.48 5339.61 5902.65 5764.57 5905.89 2-Trifluoromethyl-2'-methoxychalcone 3643.76 2385.14 3293.57 2418.61 1935.27 1994.14 2345.43 3605.36 2135.3 3613.34 2365.86 2098.52 1228.93 2842.6 2508.48 2364.91 3546.86 3014.94 2042.39 2229.39 2478.89 1662.14 1791.34 2310.76 2681.37 2816.77 1909.48 4604.86 3620.7 3573.24 2312.38 1648.76 2406.37 2400.56 2506.66 3193.05 3129.72 2892.75 2890.45 1344.32 2923.62 2760.25 3441.64 2416.07 586.41 2389.5 2378.99 2448.17 2865.13 1679.16 3036.23 2292.93 2023.4 2237.78 2234.61 2119.67 1007.14 1010.74 1795.77 2001.41 2702.9 1960.76 1453.64 3196.93 2061.85 2647.24 874.78 2360.73 3605.58 2799.84 2190.24 3551.85 2749.35 2225.9 1888.59 2702.64 2421.85 2558.23 1588.38 2513.26 2520.41 2550.37 2691.23 2425.88 Tridihexethyl bromide 1261.72 4179.95 3741.25 4130.58 6776.31 4235.44 4718.2 4022.84 3994.26 4199.26 1698.11 2056.63 3694.33 3912.54 4026.47 6051.21 5611.2 3170.09 4453.46 4981.44 4259.21 2373.49 4030.37 1863.85 1098.29 3927.29 4039.1 1379.6 3735.26 4378.49 3857.87 2888.67 5635.63 3880.34 4765.91 3594.46 3708.6 4488.04 3696.87 1665.05 4292.15 5094.9 2372 3664.99 4168.43 4320.72 3603.95 3233.82 3696.19 4656.91 2692.69 4256.52 4266.17 3292.1 3338.25 3934.57 4752.28 2485.48 4559.22 4532.57 4045.63 3024.49 3441.53 4422.95 3135.34 2971.02 3318.5 3205.78 3730.63 3959.65 2230.4 4110.48 2996.2 3524.12 4092.74 4035.82 4038.67 4040.31 4086.45 4065.41 4097.09 4029.69 4181.33 4100.93 Flammein A 1779.8 1604.59 5805.88 5790.63 2257.85 6069.3 2348.73 3077.43 2900.58 2758.95 4563.52 860.29 4353.23 1203.67 527.59 3012.89 1508.94 2499.69 4621.99 1314.13 1077.42 2543.45 4361.53 9619.05 2495.77 2223.99 8809.36 4944.14 2961.89 2249.54 1219.63 6260.83 1925.25 8007.78 4862.24 3151.58 1562.31 3502.82 2458.81 2540.47 2786.25 3714.78 9105.43 5866.8 2409.02 3018.43 4581.8 3076.18 4184.27 3287.54 723.43 2705.11 7142.54 2729.14 1061.25 3433.79 2888.51 5015.39 1303.79 1516.18 1975.09 3178.4 2373.72 4422.67 3194.34 3023.34 2220.88 4063.3 4309.03 1145.81 2103.87 3068.48 3295.79 4604.59 6687.94 2996.87 3005.54 2941.48 2924.63 2806.18 2843.46 2823.07 2024.95 2992.09 7-Methylinosine 32638.02 31018.98 16120.31 12454.71 25039.56 19076.88 6574.07 51954.62 24149.05 31699.04 10694.93 15267.89 2459.7 12666.96 22765.02 17484.25 33538.79 27916.94 30359.34 42343.88 34090.8 23827.6 14804.73 19202.9 28932.13 18327.27 16426.44 15579.98 51632.18 2566.38 32905.91 33724.36 20211.47 23362.16 15180.91 39139.37 32318.31 21838.67 7634.1 16126.79 32846.13 32547.57 20875.97 3834.68 38414.94 14948.26 33905.57 12116.65 3152.7 16382.23 14429.06 26693.75 7339.97 10226.78 12678.39 16283.37 11812.27 16444.44 33290.58 17287.67 14518.84 16474.01 21254.17 18612.85 31432.55 39802.48 29966.01 4299.42 12256.14 27113.31 31006.86 14206.87 10113.82 11051.51 11837.99 28585.5 24005.33 24096.53 22253.75 22203.88 21955.58 23929.03 24060.64 23507.24 5-Bromo-2-(4-nitrophenoxy)pyrimidine 3336.24 1421.12 1484.35 976.84 3957.72 2703.05 3724.93 3318.58 2522.14 2397.96 1552.8 1683.42 1942.96 962.95 4586.84 1093.73 2133.27 1196.62 864.32 3135.86 766.05 526.85 603.12 1845.4 3450.43 1024.9 1605.24 2922.37 2591.1 1673.22 2377.73 2056.58 2449.44 779.66 851.9 2334.39 2141.52 4108.56 1428.44 1702.43 533.65 682.44 1726.62 1022.38 3019.92 1159.48 2524.17 3046.47 3865.06 2300.51 1195.59 3942.26 1729.16 851 488.47 3402.02 1449.12 1352.33 2975.68 870.99 1965.69 1921.15 4053.59 1499.59 1908.51 2953.84 2039.26 2164.13 2220.97 1747.21 3333.17 730 707.94 1287.62 1418.79 1980.11 1222.49 1941.54 2174.35 2071.2 2331.78 2109.49 2102.45 2067.24 1-Methyl-2-fluoropyridinium 1531.64 1851.49 1805.27 820.96 1676.04 1366.6 701.04 1072.36 1700.11 1345.56 1219.82 1389.5 1161.71 741.58 1620.46 1480.35 1072.46 1357.22 1652.21 1338.21 2538.37 739.69 869.12 1236.02 1665.05 2483.01 2819.51 1169.43 1607.22 1219.26 1180.93 602.98 1240.17 1507.23 1201.72 1910.93 957.87 635.93 1751.07 1439.32 1328.43 771.64 1453.44 1638.88 1627.27 776.19 1760.04 929.2 846.83 587.89 1410.2 1852.76 1299.81 885.04 1536.61 1196.75 1208.94 1441.39 758.46 1564.87 1260.9 2015.19 2132.5 1867 1657.93 662.28 2107.58 1094.61 1542.66 1918.22 729.67 1633.44 1407.52 1115.18 1357.36 1401.7 1381.71 1385.16 1293.51 1291.49 1388.44 1405.19 1065.88 1282.67 Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]- 186808.2 177451.41 227636.69 162681.15 220298.7 75848.12 133346.15 294948.09 263994.39 221303.92 38224.89 136686.77 178220.04 178540.58 186372.55 172758.61 146022.86 177929.12 245176.67 169867.02 205339.59 91381.73 150893.65 209963.63 241938.48 255135.92 243117.71 248447.92 257403.36 139314.23 161992.25 191641.8 141809.4 234261.15 178107.02 273799.45 198685.97 42685.46 170903.04 121740.18 102643.34 155038.71 202711.43 143670.76 205229.44 91246.35 222333.15 205062.81 92880.31 129874.21 109476.74 140952.83 168378.97 99609.45 115257.63 169328.17 155101.93 129412.56 177448.52 57966.36 141943.84 131707.38 150330.28 152896.54 195860.09 160872.93 124429.95 221637.9 170037.24 232439.2 147687.97 137879.32 50565.5 89004.62 129956.49 160196.55 160289.14 159523.05 160295.46 159692.92 161173.04 158759.5 160487.66 159688.15 N-Lauroylsarcosine 919.84 1213.5 1007.43 859.79 758.41 582.45 371.02 1611.99 434.49 892.06 952.72 466.67 1177.34 704.34 416.28 732.98 826.46 468.55 495.01 679.3 913.8 654.79 714.1 1358.75 954.45 1517.95 1052.04 1045.15 1505.92 567 1970.02 1232.3 852.56 1192.63 986.02 973.23 1757.38 993.85 691.74 927.37 1546.73 1694.35 716.12 431.43 527.92 451.08 1450.6 1377.66 372.09 1310.37 838.83 1221.21 380.54 766.83 649.9 684.82 439.03 726.84 1506.74 813.29 1082.37 1020.49 961.01 977.5 864.3 1334.82 1297.41 1096.23 903.17 413.71 475.93 1173.92 563.42 950.1 869.08 2667.11 1504.74 3062.69 879.55 1954.18 1352.62 1834.18 550.8 1490.42 1340.79 888.98 1447.09 1265.17 4315.64 1706.35 1788.86 2962.1 2884.94 2192.31 1045.79 1787.28 2013.48 2259.5 1795.38 1583.7 1256.15 1287.57 1238.02 1335.91 1282.85 1240.33 1171.09 1354.07 1132.35 (4R,6S,9S,10S)-4-bromo-10-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-9-ol 1944.87 410.06 11721.6 13268.17 1401.07 1643.44 3364.77 1252.24 5682.96 1503.49 727.43 3089.38 526.47 980.54 2180.66 702.24 463.41 1551.53 1145.73 3407.4 7666.7 2675.2 668.03 683.71 5249.13 2381.08 1719.62 782.97 587.5 11032.63 12097.57 4011.28 10706.11 1441.71 837.36 2734.22 4701.21 2719.95 2208.91 1795.39 4845.76 5858.01 2443.62 2062.27 4673.5 2223.17 1514.38 1947.58 1214.52 2479.33 3970.62 3568.3 2018.6 437.79 1661.62 3115.59 1665.4 1258.02 3410.98 2636.78 1466.45 1963.84 2183.42 1758.72 1300.42 2849.08 7037.42 841.03 1372.21 3168.11 3909.61 3957.8 776.08 2343.75 2072.78 2668.29 2580.38 2883.84 2497.6 2460.95 2468.7 2477.49 2072.29 2904.57 methyl 8beta,9alpha-dihydroganoderate J 4518.89 6056.61 5535.7 5169.62 8323.52 5500.5 12015.05 11425.95 3087.58 4462.38 10494.06 2927.83 5423.92 5137.46 5651.83 7058.15 5335.13 6940.43 4749.76 2173.4 7383.47 6344.49 5421.72 5166.78 5303.22 2519.21 5434.98 5401.99 5317.86 528.39 6341.93 7825.31 6117.69 5655 5630.54 3414.28 5864.76 6335.71 5837.03 5201.19 7475.09 5657.17 5940.52 4602.59 7931.18 5660.57 4545.27 4647.08 5441.33 5636.83 5429.31 5326.8 3606.06 5353.63 9525.57 5000.3 4937.33 4205.19 2501.89 6342.46 5494.59 5354.53 3898.01 7001.89 5029.4 6243.42 2862.72 5521.14 5372.93 4205.15 5067.39 6835.67 4897.97 2577.94 4534.57 5272.72 5119.12 5278.03 5260.65 5785.13 4813.44 5270.73 5122.33 5280.91 Hydroxyhexanoycarnitine 6739.29 3698.85 532.15 5125.22 1021.86 389.54 4236.12 3495.01 3492.76 8781.1 2281.58 2343.83 1588.64 3421.74 7582.67 673.23 5362.66 2980.6 2315.4 2910.72 631.91 3578.43 3739.24 1302.89 1164.06 1933.77 4390.85 5084.71 1704.57 1013.24 1579.83 2062.14 1177.74 2420.85 3704.69 3420.66 4555.63 6289.06 4512.52 4777.72 5281.83 2624.16 5574.4 4338.46 6263.8 3617.75 3393.8 3164.75 4708.7 7105.78 1652.95 4380.1 3849.64 3034.17 4097.03 2773.18 7128.98 5069.27 4361.42 5520.61 5441.84 4228.96 5616.04 5181.14 3195.78 2627.72 4048.9 3652.56 3993.9 3921.42 2816.12 6542.28 3031.18 4953.91 2891.94 4484.66 5030.28 5152.61 5213.48 3561.93 5208.58 6052.05 5321.21 4554.7 1-(5-Chloro-2-methoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea 56211.9 54926.49 72519.51 52291.9 65098.25 28520.18 29643.47 63351.77 52716.67 56478.2 10838.53 47277.62 57551.21 53379.84 52628.42 48779.89 46793.16 51865.22 67672.94 46134.13 42605.42 30207.71 45715.35 55278.87 72790.95 74812.13 72313.5 63735.12 64760.3 45711.18 44031.95 59293.89 40924.05 70321.73 51922.79 76105.7 51986.8 17076.35 51005.17 44736.41 38429.71 44375.81 51126.74 47100.72 57374.62 30031.75 58116.42 54616.04 28299.83 34447.12 37048.14 38519.37 47960.67 29192.71 30115.46 46510.22 46789.48 39768.79 46653.47 21771.6 39399.8 42975.67 41843.46 43526.79 52589.26 52129.38 37135.24 70135.23 54253.02 50533.91 45740.02 41580.31 21286.95 28323.65 40390.22 48804.96 46384.83 45471.63 45498.77 46148.62 46164.03 44385.93 45354.45 45985.05 Platanionoside I 3125.73 4844.6 3952.3 4041.23 3243.55 3064.57 1731.99 3794.78 4403.12 3370.76 2699.74 890.6 2854.74 1258.49 681.23 5885.09 4875.4 3555.54 4263.05 801.98 556.4 1083.22 2727.62 2570.41 4920.11 1750.62 4911.95 701.48 1703.03 2426.6 1371.38 1028.13 2713.08 1348.26 3139.92 3288.76 2025.79 1764.02 1936.3 2668.49 3724.68 2793.26 1631.55 5289.44 3587.98 8076.2 5095.64 2198.78 1553.98 13031.86 1677.05 7160.59 2555.75 3989.15 4092.71 3471.51 2158.89 8552.82 1791.5 2218.07 631.05 2963.51 2103.38 2810.84 3005.4 1340.72 3904.35 1438.66 4258.42 4641.84 3754.86 4241.57 4535.28 553.76 5360.49 3393.47 3677.97 3191.66 3781.42 3720.55 3684 3900.78 2768.63 3284.59 Galabiosylceramide (d18:1/20:0) 3042.12 3488.13 2538.92 3115 4598.5 5175.84 1911.65 1236.37 491.03 2265.73 395.34 3599.59 2433.79 4409.06 3608.55 3174.37 2834.6 4768.86 2145 1227.95 3046.89 3364.62 9481.44 10708.84 2386.03 3945.59 1886.95 10682.16 3738.79 4170.44 1956.44 7072.7 5295.84 4063.98 2282.95 3786.97 2261.1 4799.25 2087.79 1986.87 6979.85 7226.95 2157.69 2179.06 5886.06 2654.83 3163.55 3452.63 1239.16 9867.66 5513.92 5193.84 2817.44 5551.61 2092.06 4463.64 1884.61 876.55 706.47 1565.34 1032.58 654.64 2400.9 1474.67 787.09 3777.41 6578.07 2017.63 1231.25 1129.84 2568.16 2037.85 2616.68 5132.45 3851.25 3581.24 4119 4275.27 4123.4 4229.44 3977.72 4233.43 4245.14 4127.41 Phenytoin catechol 7670.89 1712.93 680.08 1604.81 3125.15 1396.13 1890.89 5767.95 5331.14 4558.91 734.48 3633.62 2466.28 1776.56 1621.96 6636.36 2289.25 4475.48 2674.53 3369.5 3985.11 11302.83 682.25 3467.94 7209.73 2450.4 2146.29 1937.67 4412.16 3152.26 4412.95 2160.55 4492.87 2271.8 1090.03 5639.94 4140.75 8570.44 2239.92 2154.47 3805.48 5274.54 1125.74 1728.84 3839.51 1521.36 3866.12 3188.59 2575.5 3873.29 1835.74 2200.03 2565.41 2063.34 3879.53 1494.42 1684.17 528.99 2000.1 11149.29 2757.05 901.92 2334.34 2929.39 1338.92 2053.43 3427.91 2155.73 3019.98 4578.36 5570.98 3129.92 1890.91 1685.3 710.52 3012.1 3042.92 2390.99 3508.3 2833.75 2917.87 2769.46 2801.1 3042.08 5-(Dihydroxymethyl)-2-furoate 8547.81 8092.21 1685.81 8530.32 10855.28 8721.95 15810.38 9087.82 6910.33 6896.4 9898.53 7726.16 5476.9 8843.31 10600.47 11138.34 7220.64 10207.35 6414.25 8172.43 5203.59 3307.73 3256.56 5519.78 9552.18 3237.66 6611.08 8532.08 6940.33 6483.68 8199.32 3642.02 3868.66 4582.84 6405.25 6806.03 10560.01 9760.7 8256.71 7915.39 2218.06 4835.02 6665.83 10217.06 8752.54 7495.55 7096.67 9232.43 11752.47 9428.88 6838.07 11133.49 6806.44 8925.78 6940.51 9586.97 3115.12 1978.12 7930.55 9439.96 9389.24 8083.86 10915.52 5413.68 4280.38 8482.92 7955.52 5616.39 8455.27 5868.48 11255.94 6185.42 11116.8 7379.68 9963.81 6658.99 6737.6 7076.48 7075.52 6760.71 6724.79 7110.6 7132.56 7091.71 6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 12890.04 23799.37 23348.59 11058.15 13913.43 2916.68 9393.42 14487.65 9985.27 12656.62 1819.23 8447.15 15599.36 10796.39 7801.66 3597.48 6163.58 8878.15 13235.75 6346.91 5503.92 2022.39 6487.52 13721.15 15052.58 6561.62 17772.25 13823.63 16028.87 15819.17 11978.71 10011.65 3615.52 16839.74 9417.02 23737.04 4869.28 4278.49 15416.08 25727.32 13397.6 7970.6 8420.8 7029.76 10540.64 8207.57 8180.33 12770.13 11020.55 5494.54 3761.15 8139.89 11730.38 3295.48 18472.94 9461.17 13909.01 8007.61 6581.45 3837.29 11752.55 18236.09 6899.83 5705.74 6092.99 13164.35 10738.45 19570.01 25900.55 6738.26 4722.53 6082.02 3851.05 2846.74 4625.83 6738.45 7047.9 7050.19 6404.05 6355.3 7021.26 7055.45 7046.38 7086.52 Glutaminylisoleucylarginine 668.62 1480.06 390.64 371.11 2709.2 648.71 6076.77 2952.65 742.41 577.88 591.33 3189.94 6535.99 1953.95 2001.38 1040.12 1676.72 2063.66 3538.2 524.02 389.61 1310 3022.41 3049.59 3134.73 1670.91 1775.95 3688.21 1411.08 819.02 1343.25 2413.44 1183.03 3985.23 3484.7 2498.51 1336.52 1556.11 3237.66 2707.8 696.01 1393.46 3916.49 1646.25 820.46 6720.3 469.58 669.97 4761.66 1144.75 5037.04 1711.81 4133.11 7676.81 598.86 1378.18 1941.71 1877.74 518.62 532.82 2290.61 2059.55 2305.06 4207.4 2386.16 2770.03 668.9 1655.12 1761.92 2087.06 1443.32 1887.97 2862.13 4266.39 4204.3 2753.61 2785.31 2710.49 2545.83 2749.2 2753.88 2678.75 2725.52 2200.31 Nonapropylene glycol 618.95 18254.04 13662.87 16773.33 15309.61 15898.85 22709.13 27327.05 12154.31 14810.25 14926.6 9334.97 11832.66 13725 13918.6 13914.34 12443.57 16021.24 15622.07 15149.55 16709.37 9723.81 10298.36 14275.29 16820.15 12948.5 13911.34 14961.93 14188.23 14482.68 14383.37 24075.64 1286.43 14782.42 13341.56 15278.3 16831.45 13866.1 15034.04 14564.77 16017.94 14240.26 9348.53 13849.14 14266.01 13682.43 13413.49 15043.25 12367.66 10522.28 10819.3 11416.89 12229 13391.89 16491.9 13434.8 14476.65 16760.82 9913.89 12540.9 16177.59 16604.56 11243.32 16705.45 15272.28 16455.84 14652.73 14883.91 14525.43 15074.66 17129.69 17437.99 16513.51 12213.51 13685.43 7290.41 13632.95 6738.6 7576.78 7635.71 8536.35 5161.36 7577.5 7293.18 7581.09 10039.34 7222.4 9843.74 7664.24 8028.94 8729.96 6806.48 4960.08 8552.41 7974.62 8597.22 8081.76 7017.25 7941.19 5331.41 15025.38 14179.69 15005.75 15039.89 14736.9 15207.46 14729.92 14733.11 15057 13-Heptadecyn-1-ol 7800.64 9936.15 2496.5 8176.37 11399.92 9234.75 6965.53 7553.25 6658.79 2357 1730.15 3852.75 6458.83 7551.5 11434.53 13422.15 9478.55 11359.3 12323.68 13789.49 4471.48 3686.71 2263.85 4315.62 6772.99 7956.61 4067.35 2712.9 4668.53 3520.78 7112.72 10011.15 2365.58 2291.97 5400.39 8184.35 6093.29 1763.9 676.7 2304.61 8870.39 9729.07 4475.15 7678.89 8732.33 3572.94 11925.88 9318.11 3887.54 10364.43 2853.3 4645.43 1757.04 3114.71 12788.82 10130.45 5903.18 4089.08 4620.66 3946.86 3539.62 2609.71 9284.47 3258.66 2910.23 7967.21 9933.17 8013.29 13993.62 11427.28 5947.55 7634.42 3023.81 7193.56 11994.44 7926.92 7847.81 7938.3 7938.06 7861.4 7864.27 7954.39 7940.76 7862.37 2,6-Dimethoxy-4-[(R)-1-hydroxypropyl]phenyl beta-D-glucopyranoside 1154.45 802.74 3404.53 1154.94 779.66 4547.95 2498.74 1814.61 1029.13 746.66 1680.62 576.18 2441.52 929.72 954.84 683.26 860.02 841.54 1803.67 512.99 506.68 977.24 3152.73 1685.07 888.4 1149.5 738.7 1955.53 2440.41 1032.12 3031.98 2522.31 2098.86 3794.25 940.33 1659.26 1534.14 2556.54 3087.37 1094.34 3402.15 4461.42 589.65 1878.5 2946.78 4090.64 1596.03 2685.2 4673.42 3328.53 2961.49 3593.9 2024.73 2056.66 1645.19 865.15 1022.47 2202.81 1357.62 888.89 738.69 1200.72 1834.05 1994.83 1572.66 843.24 2152.13 1803.15 1267.27 917.75 2910.29 2503.3 2721.55 2023.7 1804.47 2082.85 1889.17 1810.85 1784.02 1905.22 1900.59 1783.37 1922.63 1880.24 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine 926.12 1711.46 2764.98 1150.62 1021.02 2659.32 3717 2757.86 398.72 1217.95 334.77 1115.2 4088.8 2311.22 1571.29 3002.93 2372.49 1280.73 5124.25 1838.34 760.58 931.2 1571.71 1336.41 549.94 925.22 282.52 1930.36 647.86 1651.66 1867.91 2939.89 546.54 5013.52 3359.12 1236.38 1133.74 1362.76 2231.08 784.98 2397.66 3250.18 3368.83 1772.63 2959.02 4361.96 1342.17 3131.59 1896.71 5941.12 2456.91 2760.19 1976.08 1204.34 1499.74 3489.93 11357.12 780.87 1013.72 1814.35 2232.2 2171.19 346.18 1258.62 1235.6 407.63 968.54 1831.98 1572.6 503.26 719.38 1314.31 2180.56 930.08 425.68 2402.4 3982.19 3192.21 2698.03 2916.52 3337 3129.14 3275.82 3644.09 Hydroxypropionylcarnitine 4063.41 2518.54 1701.08 1945.31 2671.04 560.42 2321.51 2266.28 2882.7 1497.58 1118.62 1849.39 4660.36 2573.39 2301.78 1817.55 1428.71 869.76 7161.62 2774.95 3527.31 1976.34 1598.75 636.67 950.16 2725.61 2772.09 2671.59 2634.21 1146.7 2992.46 6533.07 1054.02 1285.65 728.95 1432.95 4935.08 2002.44 2715.31 535.47 4877.67 1041.24 1155.01 1077.16 3390.32 3281.09 903.62 7618.67 5219.9 7418.3 2930.32 1891.56 674.99 2623.21 2377.86 812.97 1082.8 1286.83 807.05 1814.37 1224.78 1529.4 1450.11 1500.2 886.34 831.69 2462.65 4069 3566.92 1410.61 903.07 1995.69 1057.73 1444.8 1681.95 1802.59 1989.2 1918.49 2055.96 1812.67 1821.95 1850.09 1330.39 1932.76 2-Hydroxy-3-oxobutyl phosphate 7546.33 1297.55 2608.54 1447.57 1382.03 1267.67 1140.92 1586.3 3213.77 1833.54 1111.37 1065.15 1459.81 794.72 644.3 723.58 1434.06 680.91 764.82 939.11 716.15 1541.83 1250.04 2076.62 3924.49 2694.1 1887.79 1794.31 1337.74 4247.08 908.42 855.21 1560.62 5077.64 1241.68 2007.85 1866.52 1501.05 1041.57 1352.07 725.48 647 630.67 772.04 661.2 1378.36 656.1 681.92 758.65 1061.76 1160.71 699.76 1194.85 755.07 3530.31 852.56 811.49 1136.89 621.35 929.75 803.37 887.79 731.84 1263.11 777.85 675.75 843.46 1036.66 923 831.98 1030.23 1070.71 1214.87 925.41 1060.93 862.63 869.02 855.94 855.23 914.53 877.88 876.58 847.65 876.32 Cenocladamide 11141.78 11682.49 8310.57 1641.27 11855.91 15361.88 6649.59 10472.8 12900.29 9232.52 5487.77 6939.3 6122.13 8704.73 8069.3 4182.25 7137.3 9184.29 9558.32 10982.95 7582.21 16595.76 6057.25 8712.81 13515.38 14280.32 10505.28 10446.34 16146.69 7892.78 13681.49 5518.22 7191.76 9720.16 9064.64 14064.32 11958.47 14305.08 7945.12 10362.94 15001.78 13564.33 7842.18 7832.95 9795.25 9455.7 12209.56 7412.33 8515.72 8187.73 9314.74 9235.39 7660.8 8511.18 3373.45 7307.31 3661.75 6884.34 9468.49 8504.65 761.14 6584.77 8951.81 9584.93 8229.01 9630.62 9721.75 7263.51 7789.19 10545.3 8684.48 9851.67 10111.25 9242.17 8208.24 8690.74 8906.64 8905.09 8959.83 8787.77 8861.01 8782.14 8731.11 8907.54 O4''-Demethylthalicarpine 894.28 402.99 1706.52 521.04 1051.19 1354.31 520.93 632.06 549.52 1192.5 575.74 748.32 468.42 531.95 419.36 1410.52 367.74 663.74 707.81 677.95 1302.71 655.22 664.21 927.15 728.17 567.12 1021.74 2049.62 445.92 385.81 1021.71 1221.74 531.28 2474.27 2099.78 3664.55 3325.44 1035.38 2755.08 1678.51 1942.41 3180.42 1628.21 2055.85 3716.93 1131.54 1143.35 1671.42 1361.29 1713.32 2173.35 2217.44 2739.62 1210.37 1642.81 3249.08 3489.08 2064.5 1709.2 2504.27 1778.63 1762.94 2565.23 2105.32 1382.11 2349.5 2452.16 2627.12 1707.79 1574.03 1805.14 3125.47 1234.3 1975.84 1945.44 2845.04 2716.53 2611.96 2586.79 2712.64 2768.94 2868.11 2692.26 2912.44 7-Ethoxy-4-methylcoumarin 5880.69 5958.75 3236.15 5365.09 9389.41 6331.71 2868.91 7331.21 7289.49 6815.12 5190.14 5594.08 7477.11 5407.99 6242.81 6525.52 6835.82 5641.21 5831.78 6819.2 6909.02 6749.06 4914.68 7121.14 5685.91 9178.33 5780.67 5357.57 6325.56 3156.51 6835.29 5764.54 18171.54 13426.54 4454.25 6685.89 6475.52 6649.79 4447.07 4074.45 6404.72 9595.27 4075.14 4721.04 7566.13 5566.05 5560.99 6717.04 7279.88 8155.41 5002.78 7375.2 5310.76 6236.99 6125.44 5207.8 3075.31 3924.61 6054.47 4494.41 4310.02 4174.21 5515.46 4885.93 4051.25 8425.78 3814.95 4410.95 5579.1 4787.35 4871.03 6587.36 4046.78 6576.48 5810.19 6509.96 6371.06 6209.4 6310.3 6502.94 6842.69 6768.79 5149.66 6373.39 18-Hydroxystearate 2556.09 1425.59 1948.66 2024.21 2770.42 4843.52 2304.57 2554.07 3307.58 6960.96 3449.39 4740.71 7540.62 6054.22 2981.29 4371.76 3471.6 1780.97 2571.32 2227.36 3127.85 5449.94 5296.72 2065.3 2411.65 3053.88 4468.86 3101.68 2412.03 2742.14 2175 4057.61 1634.38 4756.06 2963.28 1167.74 797.36 5133.5 5102.53 2122.07 942.95 1951.64 2235.9 3324.93 2280.58 5039.21 984.33 1803.61 1960.99 5958.64 1421.14 4071.61 3620.01 6265.77 1674.62 2004.84 1692.66 853.03 1590.44 2785.64 2012.58 4264.88 790.1 1639.22 679.47 2430 3332.68 3491.01 2039.44 2189.24 2478.54 2678.04 2363.36 2836.7 3744.5 2150.72 2286.99 2204.75 2235.7 2163.44 2002.48 2261.99 2261.72 2177.74 Imetit 715.6 706.58 511.49 692.23 343.35 611.99 695.16 445.69 432.08 837.38 1075.85 695.32 640.89 662.38 921.31 375.84 417.46 560.1 651.21 574.18 464.92 519.37 371.19 508.79 860.12 509.33 654.6 966.19 464.51 583.73 582.03 530.75 554.45 727.08 635.97 809.06 749.15 703.74 769.26 430.39 308.88 701.3 541.07 576.88 713.14 392.14 558.68 483.26 473.45 385.37 456.43 551.42 378.4 711.92 458.89 694.62 722.14 659.19 612.28 611.47 392.15 425.92 613.43 602.59 478.72 1040.03 607.07 674.01 453.94 645.78 884.54 610.31 558.4 672.52 351.25 1105.15 1147.59 967.17 1259.21 1153.21 1114.63 1150.63 1150.27 1109.48 1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate 2254.24 3116.03 2396.79 2648.68 3236.38 4348.51 2495.16 2193.66 2287.89 2340.22 1733.28 2948.65 4894.51 835.88 3232.73 3230.21 3393.83 4310.25 3466.46 4567.49 3343.53 856.42 2891.2 1766.42 2593.58 2771.48 1828.8 2235.1 2709.31 2810.38 3470.01 4218.13 3819.35 2508.86 829.59 2743.85 2805.13 3916.15 3195.84 2475.03 4012.16 4986.61 2802.96 1868.03 3343.74 1298.17 2074.2 3222.57 2541.84 5908.23 3472.13 3130.7 3075.22 4316.15 2623.5 3819.06 2750.93 2010.66 2553.23 2292.34 2194.36 2127.02 2701.58 2052.85 2058.41 2938.52 4054.32 1878.19 1254.73 2433.94 2915.13 2411.2 2275.14 4115.81 3932.72 3472.17 3928.55 3776.48 3700.2 3697.73 3536.24 4033.61 3767.49 3748.92 Naphthalen-1-yl(9-pentyl-9h-carbazol-3-yl)methanone 741.51 306.93 600.99 2069.79 1062.17 3285.29 463.36 3294.33 5609.65 3286.04 1990.23 1499.1 1360.86 1264.31 531.93 1120.42 294.72 1993.27 704.61 1689.23 784 1885.34 320.53 3583.96 2094.87 13517.02 2008.82 495.03 899.49 2003.05 461.98 3116.16 8027.24 3239.64 325.99 7411.46 7282.83 2839.26 3268.21 4608.82 3888.79 10332.19 3218.03 549.24 8634.59 2513.6 5992.34 4282.51 951.22 1226.45 4454.51 4238.66 1214.6 740.43 3898.93 7353.37 2125.57 3839.62 6205.33 1158.28 1671.6 293.2 3281.52 3029.3 1513.92 6233.42 8957.48 2341.47 710.31 4828.73 9558.36 2449.61 2408.92 538.61 1666.5 4903.87 4971.36 4649.89 2391.84 4175.36 4769.28 4149.92 5109.79 4953.68 Ethyl cis-1-propenyl disulfide 1976.42 413.71 1139.41 1847.23 437.94 1700.78 7340.37 5583.64 5641.77 1826.89 1458.19 468.89 660.33 1398.35 843.36 427.19 809.8 1844.52 2450.42 6035.92 1939.32 5515.06 2446.38 982.68 2413.35 2031.93 1265.78 960.67 2412.58 1964.67 2260.17 2842.57 2932.26 1724.05 874.27 1966.5 708.87 1618.99 478.85 891.66 2847.79 2702.12 905.5 625.31 1297.61 6482.21 2214.37 2307.36 1290.53 1581.43 1735.83 1411.29 1387.49 704.46 2695.3 1378.6 351.49 734.47 1126.27 545.3 852.69 2049.4 1209.87 903.81 938.95 2931.68 1625.15 1337.33 1207.33 463.41 507.78 547.57 1317.49 1752.92 2679.54 1134.86 1975.33 2052.17 2074.97 2230.6 1443.94 2037.87 1818.61 861.59 Desoxyhemigossypol-6-methyl ether 770.94 1620.28 542.48 951.33 2270.61 1682.19 1061.73 1626.57 1619.24 629.94 657.58 983.94 1108.27 507.16 1069.35 2017.32 1237.38 1889.3 3479.23 2713.72 836.49 1727.84 902.25 1475.19 3333.52 1874.33 2381.94 1332.65 1851.99 592.53 2562.96 3552.14 1536.29 1509.38 923.42 1930.75 1266.08 633.51 1191.3 1129.86 3390.49 2246.2 1421.31 893.31 3544.81 811.11 3896.89 1714.28 632.75 2230.44 1105.3 2639 1736.96 572.81 1350.39 2661.02 1508.85 1044.62 1289.02 1447.16 1234.12 645.36 1287.32 1127.61 1650.74 1835.6 1819.94 1164.88 525.38 1316.28 3018.04 1251.7 1042.98 1492.36 1284.01 1190.15 1500.51 1230.41 1132.71 1324.48 1218.31 1387.13 1188.93 1227.01 2-(2-Propynyloxy)-benzenehexanoic acid 3310.88 2992.46 692.31 753.26 2377.55 4187.62 748.56 2548.77 3156.33 3276.22 1439.21 1571.34 1651.65 556.82 3730.13 2462.22 1437.28 1337.91 2568.22 1034.57 2034.31 1998.88 673.27 1011.9 3040.25 4020.78 1991.31 922.01 3796.76 1946.63 493.56 2709.56 3103.49 2229.91 1773.66 1792.44 2779.55 3429.72 565.2 1223.23 2076.8 5189.45 785.79 1638.41 2912.99 2430.22 2394.12 681.07 939.16 2496.14 2404.45 3481.14 1717.32 2051.09 2050.08 3025.57 817.71 1449.13 3056.16 2478.28 1561.51 1098.83 3977.11 2994.88 991.11 4606.4 3089.48 930.67 1804.5 3559.48 4120.9 3599.38 1516.35 1331.9 1840.36 2205.42 2296.57 2188.87 2403.57 2260.53 2237.57 2301.91 2186.6 1834.8 p-Anisidine 5178.6 5482.74 4597.91 2671.86 6072.85 2081.83 1567.02 3809.19 2591.45 5567.86 856.19 2647.41 2544.49 4383.49 5048.48 4907.48 3591.01 5077.24 5087.81 3765.53 1291.38 2660.48 2832.36 4390.98 3865.98 4118.57 5676.95 4305.49 4254.48 3663.24 3372.62 5236.28 3513.57 4844.43 5265.29 6843.3 4977.57 3007.18 5421.63 2306.4 4274.7 2971.82 5004.02 4102.01 6233.09 3578.97 5267.87 4875.48 3707.18 5192.15 3538.59 4199.7 3092.13 4247.28 2971.61 3666.48 2901.67 3804.09 3016.48 2453.78 3519.66 3761.3 5336.02 4113.68 5162.68 4422.32 4571.84 5578.8 5052.31 3642.01 5105.95 2958.18 1673 3400.04 3804.51 4378.72 4674.26 4979.98 4646.28 4673.91 4619.67 4581.3 4553.18 4567.01 3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine 3377.14 2297.51 2131.32 2187 3068.83 2750.91 3678.31 6197.75 4995.14 3502.65 1685.79 3352.09 3686.08 4751.92 2076.95 3053.07 3266.08 3960.6 2928.88 2950.05 6067.02 2009.61 2685.13 4279.1 4797.49 2421.9 2213.93 4825.86 3157.9 2557.18 3561.95 3793.31 4258.27 3881.45 3645 1154.61 3821.61 2784.47 2857.27 2654.16 2570.41 2675.34 2614.18 2510.19 3664.77 1733.41 3492.37 1846.87 2735.22 3322.46 2236.46 3035.03 3723.51 739.2 4505.27 2448.78 4202.96 1719.38 2159.26 2584.4 514.55 3122.04 2135.71 3410.29 4137.66 4140.98 3375.63 3181.69 1408.25 1651.61 4431.63 2178.65 2826.74 2083.81 2221.9 2932.04 3026.93 3074.18 3124.13 2575.36 2939.95 3073.69 2749.73 3087.64 2-[(4-Hydroxy-3-methoxyphenyl)methylidene]propanedinitrile 14491.07 14155.51 15318.18 14318.05 14628.44 11364.4 7917.41 11556.33 18710.61 16089.77 5031.61 14197.52 14860.61 14829.68 14162.81 14827.95 15155 15197.93 16328.95 14925.38 8010.33 11681.05 12904 14683.07 17446.59 13413.81 15694.73 16651.18 15874.79 14984.56 12488.48 15235.01 11819.22 15950.7 16004.6 17864 14919.62 8981.42 15553.8 12969.47 10917.44 13867.13 15989.45 13740.85 14257.33 11462.25 15633.25 14539.66 10994.89 11924.76 12010.77 11332.44 14872.34 10191.62 5693.06 15866.69 13709.32 13536.34 13698.8 9159.5 13525.83 13679.56 13097.25 14934.14 14498.94 13976.16 13093.62 15159.34 16679.31 16448.35 14255.75 14564.76 9808.52 12335.18 16672.5 14912.46 14727.64 14907.94 14905.62 14738.24 14801.72 14908.96 14738.84 14970.45 2,4-Dichlorophenoxyacetate 5600.87 3038.91 3180.94 2626.55 1897.86 2292.05 1483.58 2530.74 1105.85 892.52 1911.64 646.87 4283.33 809.86 1111.45 4266.83 759.8 1064.55 2831.71 797.94 954.37 1631.7 2417.31 1651.12 3046.01 2672.72 2908.05 3017.29 1357.29 3181.5 1204.42 3545.08 3248.08 4322.99 16590.18 4778.47 2925.82 4357.85 2412.63 3085.19 1498.32 1328.16 1981.48 1369.27 2141.76 1222.57 1517.4 1404.67 1383.38 1066.24 1576.32 3253.33 1249.18 1154.57 1621.71 1334.91 1874.39 1851.68 4645.29 1273.6 1388.14 2697.52 3782.34 667.45 1340.99 1771.41 2394.78 5758.43 1347.41 877.47 717.25 1303.92 1397.04 1393.77 605.29 1234.05 1411.94 1336.13 1412.89 1717.96 1523.68 1202.63 1381.14 1227.92 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide 1186.88 2348.68 1997.38 2258.77 539.28 4556.76 2467.53 2405.89 2837.03 438.34 1674.8 2083.02 1706.61 2264.68 4791.44 4208.13 1626.86 2427.02 5517.11 440.28 458.47 1516.03 1655.4 1095.4 2307.96 2239.12 2282.12 1385.38 2449.9 1197.94 1317.02 6960.61 1846.24 481.54 3673.25 2866.86 919.06 2284.16 2035.84 1005.5 2357.44 6407.35 4921.1 693.01 3672.39 4480.48 5583.71 2670.91 2855.28 1387.85 3559.08 1510.65 1484.59 1197.41 2734.52 679.65 1972.86 1148.17 2154.51 760.65 510.93 3182.41 919.23 1898.57 1290.72 1923.94 1017.41 2576.67 1142.08 1084.24 1956.63 1372.84 2115.67 2628.53 744.24 2956.56 2731.16 2929.07 1833.21 2961.43 2422.91 2948.25 2542.85 2493.9 PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 745.66 592.19 1155.76 1601.61 1211.7 4400.75 1010.63 868.3 796.21 459.19 468.11 673.58 1581.85 538.67 503.68 984.5 1033.15 1148.1 1082.96 1228.98 601.98 412.85 493.97 481.48 590.44 1024.34 385.27 1121.14 511.5 1194.12 790.79 3061.13 428.94 485.57 895.28 3553.95 953.8 382.83 814.98 437.53 1404.89 2954.92 830.54 424.26 1809.6 984.81 2100.52 1502.49 2498.29 3510.33 1581.68 1622.8 1018.67 711.21 752.23 425.98 1141.83 519.7 1020.1 1134.42 691.21 640.96 784.54 325.98 547.46 1147.05 2890.08 680.69 989.89 813.4 1597.44 698.12 677.69 978.57 1283.99 1550.5 1629.17 1624.32 1691.6 1580.02 1534.62 1537.5 1280.9 1640.01 Scropolioside D 1941.56 1157.66 983.99 1653.5 420.32 1628.94 1089.91 884.55 432.17 388.73 736.83 502.72 905.91 821.37 854.72 1336.56 452.04 660.48 1051.65 647.12 350.95 666.62 365.35 1535.46 670.9 927.5 757.89 774.62 418.63 923.99 792.09 1606.15 572.73 2049.65 2493.73 3046.74 2046.45 2145.48 1347.94 1067.84 2072.36 388.49 3345.56 1122.85 1095.3 1651.48 1723.52 3548.78 2686.81 2730.56 2366.02 1956.63 1790.08 1040.3 3295 2413.69 2376.96 1430.72 1936.45 1780 1812.89 2299.55 2755.31 3341.3 1151.72 790.58 1274.4 941.29 2004.31 3125.33 931.35 1318.19 2591.33 2513.75 1104.41 2249.01 2197.71 2199.94 2044.77 2228.33 2041.21 2210.06 2202.32 1441.83 1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine 3354.24 1582.5 5669.42 5566.01 6468.62 10974.35 8615.47 5960.53 5057.59 878.92 5412.71 3471.66 2298.57 5904.71 3088.75 5410.45 1898.62 4338.27 3461.04 6611.06 4824.99 10547.14 4935.41 6730.16 3584.92 5006.09 2282.86 2684.86 10459.48 1227.88 5400.43 12645.79 909.96 7348.97 1453.71 3295.86 1894.19 5515.38 3398.17 7318.93 8164.04 1617.58 2581.57 2596.61 9934.47 6458.67 2252.99 4882.14 1990.22 5857.9 4408.03 2527.8 4627.92 5624.48 1731.82 3645.26 6074.2 1154.23 5754.41 5111.39 5870.37 4732.72 6969.19 1353.72 4801.05 3075.53 6706.01 5770.49 4604.08 4761.97 4438 4697.4 3799.9 9741.2 3944.25 3266 3427.95 2806.48 3150.95 3145.84 3392.7 2791.59 3677.21 3395.81 3-Methyl-5-propyl-2-furantridecanoic acid 505.18 2396.17 1239.97 1076.76 1233.14 1163.22 2137.12 5366.49 4554.21 998.03 383.11 1446.39 304.92 802.55 5944.91 2865.36 2178.53 4862.78 2996.48 6872.13 953.96 2043.05 569.41 554.91 1824.13 810.26 2258.6 971.27 2799.09 783.88 1196.83 1814.04 3782.25 1182.08 1417.98 935.12 4186.36 1253.03 495.63 3342.42 510.47 1123.39 3515.03 752.28 567.39 2763.61 3782.28 1470.6 430.59 704.99 452.08 795.41 1942.33 4199 377.05 3920.46 1443.12 1943.67 3367.71 2094.53 942.69 843.21 4017.88 5652.31 5188.29 1337.8 633.39 483.97 620.13 5587.08 5829.03 891.49 3597.55 5584.02 1344.38 3082.79 2952.56 2716.3 3082.29 3083.16 3321.6 2977.83 3077.36 2967.38 Saponin IV methyl ester 478.42 2084.83 446.44 1528.27 501.82 4709.75 1199.02 6435.34 1720.62 2365.05 3984.34 19383.97 2477.46 1021.95 3451.42 2952.54 1106.9 7499.29 1338.81 690.68 718.07 449.85 3094.44 1815.1 2907.98 3403.05 454.06 1608.2 1938.87 403.39 822.8 2439.58 1300.5 26080.35 17738.06 6431.02 19002.81 18455.08 17967.33 17279.98 33288.93 17291.65 12064.03 13861.69 13049.98 14010.78 10545.31 10217.37 7867.25 7962.63 13652.9 17843.27 13229.7 12899.17 12658.04 23883.14 17985.71 14565.5 21164.74 20564.9 13801.57 15904.95 18450.28 16943.72 12779.83 34010.12 23800.33 10374.43 13599.99 21114.73 19491.48 22081.78 16351.38 14321.29 20229.99 17733.68 17666.51 17820.47 17613.64 18413.28 17580.78 17580.58 18062.37 18059.69 Deoxypumiloside 1016.11 1405.16 1226.74 327.11 627.54 628.59 2823.28 671.61 403.6 1320.22 584.4 1547.38 449.5 343.1 3511.87 2704.71 3285.68 379.16 2195.82 369.57 915.2 1271.57 1371.13 414.6 470.18 1057.96 1390.9 1375.26 849.67 923.2 402.45 1254.21 341.57 2097.49 2867.9 705.83 1061.79 616.88 2109.27 2185.79 1757.48 865.01 3314.02 1025.13 1039.73 4540.07 1096.05 2057.16 802.1 639.4 603.25 1043.31 2514.67 6034.51 1212.51 444.67 1517.11 6482.04 858.22 3055.59 1871.45 695.88 2851.92 5210.65 4899.6 1698.69 575.76 523.2 434.56 738.43 1840.96 470.18 2969.61 7959.06 3071.49 1992.69 1862.88 1900.44 2056.5 2002.03 2303.16 1861.21 1871.82 1998.32 Tyr-Leu-Glu-Arg 2856.57 1308.83 4757.08 888.01 4525.52 3073.21 2750.98 2556.3 1469.92 1526.99 2500.14 2067.66 643.27 1180.09 3720.47 2993.48 3076.09 3524.03 2706.04 918.3 3630.67 2289.42 761.85 1727.37 3641.32 3196.48 1069.31 874.07 3763.19 1067.39 2505.37 1300.56 771.42 1560.4 2820.12 1925.59 2368.23 1852.56 5826.37 1863.12 905.67 4611.92 3761.21 3748.77 2967 4134.72 2555.04 1745.16 5258.8 1438.76 4610.79 1182.84 3945.68 3016.89 2824.09 3131.94 2079.57 2941.06 4294.11 3577.05 4497.42 3136.61 3628.97 806.11 2469.78 1655.41 2025.12 2746.68 2658.96 2789.58 3296.46 5413.21 1998.79 2207.61 3098.61 2547.61 2558.92 2803.85 2348.73 2547.67 2657.65 2355.31 2653.75 2686.88 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester 480.59 2027.18 2408.86 799.64 495.15 2361.86 1486.46 1007.77 1456.94 1503.29 695.68 778.01 1764.3 1487.94 1423.61 463.42 1267.6 642.17 1548.2 709.39 1005.37 8658.43 1196.11 2438.49 1211.12 1029.23 860.15 1905.62 1954.81 916.24 597.18 1145.32 758.14 1783.46 1989 1052.61 2614.6 1096.45 1929.38 1094.24 3327.95 473.85 2389.22 836.34 658.23 985.64 1383.94 2351.35 2329.32 1533.24 2362.77 872.58 1264.27 1497.23 493.98 971.8 1231.52 1243.78 952.02 674.07 562.98 1492.02 770.87 1602.79 1223.56 588.58 598.03 1503.88 900.95 1005.51 619.14 1089.79 2195.39 1429.95 1193.25 1702.07 1676.83 1681.03 1718.14 1565.45 1568.04 1699.61 1580.75 1590.8 Cyclocreatine 2751.4 4525.34 893.74 741.44 2941.33 6913.39 7135.34 6339.32 3053.81 5023.34 992.93 5745.7 5409.68 3747.89 6797.61 1148.65 3686.95 4558.81 8696.12 1563.76 1389.31 1546.71 3362.74 807.91 5632.16 2956.43 4214.46 2474.78 6923.37 499.21 2150.54 4990.54 6544.91 4698.57 2694.2 5774.39 3299.5 5772.36 4275.68 3696.05 2650.64 3413.04 5152.96 3571.8 1759.25 4237.79 4659.47 7547.32 4543.46 4986.84 3039.42 3009.89 3186.73 2571.05 2459.22 4664.16 1172.12 3619.92 6467.8 1489.53 2599.52 2501.04 3992.19 3033.01 3876.19 6664.03 5200.37 4548.16 3853.38 6052.05 5399.83 4856.57 2051.82 3297.91 3051.77 4935.43 4544.52 4501.86 4290.03 4664.97 4608.81 4647.34 4640.14 4408.64 N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide 917.8 5866.13 3778.29 2943.74 4254.55 5363.82 1928.14 3259.3 4408.37 4452.4 2363.14 2130.92 3188.72 1910.5 4632.99 922.17 4159.81 1341.49 3805.58 1168.74 1961.39 1724.16 2547.4 4495.7 5204.94 760.61 4448.25 3296.47 6211.71 3157.87 715.8 7467.44 2759.1 1625.44 3137.53 6221.82 889.38 3820.98 3175.12 4199.05 7095.5 3140.23 3790.4 2776.02 3422.25 2013.78 2395.59 6739.16 3319.12 5913.93 2715.99 1622.33 5265.02 2207.33 3371.42 5299.46 5195.43 3173.67 4172.02 4636.37 4370.04 4692.09 2869.07 2605.06 4097.59 4824.47 5368.87 5275.25 3815.1 3853.52 2929.05 4489.17 1187.27 5216.73 3913.05 3504.35 3689.13 3693.69 3667.66 3674.7 3508.04 3532.39 3548.32 3667.68 1-O-beta-D-malylglucose 1171.37 1515.22 2369.14 2545.33 2347.07 824.67 3329.39 1481.61 2809.43 2236.99 2075.97 882.65 1030.21 1050.64 2889.87 1016.46 1958.3 1778.41 1954.22 835.82 2224.64 716.14 581.16 1276.05 1031.39 2354.14 1830.35 1785.53 1621.18 1061.22 3141.35 1228.17 1366.65 2151.76 2107.88 1390.92 3100.19 868.2 1240.69 1083.55 1316.59 1352.36 1511.21 2157.54 1109.22 1331.05 1079.72 1035.61 1148.02 1932.65 1858.29 3426.29 2869.71 1701.94 434.09 2750.65 1823.85 2477.71 1774.67 1353.06 770.81 1207.19 2634.82 1637.31 1569.02 1516.39 1210.85 2874.33 1845.16 1490.39 1392.73 1557.1 1096.73 1282.76 3156.62 2094.51 2108.01 1977.89 2020.7 2059.9 2192.29 1767.98 2107.49 2114.49 16-Hydroxytabersoninium 7028.04 9445.8 9429.01 8937.67 9615.09 8663.54 12211.48 9986.61 8356.64 7341.43 6330.41 7451.77 2046.86 11045.85 11439.25 8045.11 7474.31 7526.99 7831.42 7959.14 2294.03 7626.86 9318.89 8991.26 8262.88 918.48 10948.89 9493.98 9691.12 8376.35 8774.96 8850.34 6356.82 8411.86 10570.95 8101.65 8297.26 7208.51 6436.48 6164.39 8957.29 8373.38 9266.47 9079.66 8565.65 13638.99 11808.28 8897.55 8679.03 10018.82 7787.99 8175.89 7825.31 10313.12 14143.6 7030.83 7713.56 11664.92 8099.22 8729.3 8079.74 6876.66 13104.26 9685.15 8777.42 8515.26 13053.39 9592.93 8686.77 8626.21 11267.98 8416.11 11159.29 9335.07 11955.71 9377.1 9348.5 9333.99 8959.7 10323.95 8920.24 9216.35 7079.32 9360.22 (4r)-4-Methyl-6-[1-Methyl-3-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One 1621.59 4704.36 2881.28 1562.83 1802.46 1930.88 802.77 4656.32 3005.24 2382.22 1439.36 2197.78 2540.69 3222.51 4635.37 2013.96 2775.96 1257.45 2362.46 2373.47 3260.95 1809.35 2017.08 2706.04 2359.25 2805.81 3282.93 2655.09 3252.89 3075.56 1001.12 1926.58 4004.97 1716.67 2042.72 2996.06 3020.63 3330.03 2621.14 3711.51 1492.76 1445.51 3448.98 3154.68 2965.39 1866.27 2130.15 2684.68 1365.62 994.84 1537.32 3448.59 1793.14 3806.9 1820 1530.4 2458.59 3539.67 2945.11 2538.85 2044.89 2890.98 3329.94 3139.18 3397.32 1905.24 1934.56 1767.15 4905.23 3392.96 3340.66 1995.95 1518.32 895.08 3309.22 2173.26 2249.72 2019.45 2094.66 2167.23 2291.83 2302.69 2660.22 2344.67 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate 742.25 1138.72 809.27 1257.62 1038.1 2086.38 2065.68 646.28 570.5 823.11 552.35 375.16 945.82 844.27 443.61 857.25 563.81 584.62 1068.62 628.85 668.56 1299.52 862.55 481.17 618.39 694.4 510.28 830.33 404.89 2733.06 1038.08 1074.25 417.9 1488.8 1657 1158.44 1333.96 423.15 1083.48 778.64 1171.96 760.44 1270.37 1304.78 798.96 1166.86 1050.7 982.56 812.14 434.91 727.57 1012.13 1809.69 1645.03 847.48 569.06 523.09 829.59 475.79 794.22 1810.68 460.69 1727.38 1883.67 847.22 1036.05 470.41 692.37 1084.69 1584.27 811.81 586.18 632.33 1355.6 1657.63 1088.01 1151.59 1143.96 1096.88 1075.32 1203.05 1085.16 1146.05 1088.99 2-Arachidonoylglycerophosphocholine 645.89 5563.96 725.14 989.08 2827.57 1094.54 7223.23 3322.95 1426.34 3932.71 382.18 6973.49 1504.37 539.58 982.45 560.67 1510.24 764.5 1495.74 5088.03 9113.69 980.56 512.47 749.15 528.76 1244.48 339.36 297.6 1376.93 1182.68 708.62 1045.9 1852.23 2849.88 4233.74 7704.57 5674.17 3105.21 4292.37 2259.87 1492.45 5708.77 5115.09 2543 5614.87 2068.1 4885.37 4301.02 1137.42 4443.89 5812.28 2279.88 4774.25 3295.5 4451.04 2813.06 2676.23 2506.86 4931.94 2668.57 5419.39 825.92 4548.32 1488.75 3160.72 2020.46 1574.82 4591.02 7157.22 3987.92 5625.25 6124.84 5778.39 1089.17 4786.22 5723.35 5726.57 6097.47 5247.23 5551.49 3733.12 5632.92 5044.87 5695.82 Methyl 3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoate 2583.04 3572.01 1014.84 2874.28 5962.34 690.95 999.94 1881.99 1684.98 1677.81 1911.12 2984.52 4035.14 2792.8 3436.12 3464.54 2022.89 2589.58 3564.38 5384.11 1374 1924.78 1457.1 3215.51 2546.38 606.67 2296.07 1850.45 3084.67 2783.64 5322.26 5361.26 2545.69 2157.61 2806.01 1777.1 2521.81 894.77 564.45 2062.19 4951.97 1948.54 5104.43 3291.32 4739.11 2682.06 4442.52 6371.63 2398.05 6649.68 1280.91 2396.74 2306.93 4876.85 6270.17 6526.52 1809.89 4282.34 1999.7 2893.56 3197.22 3492.31 1957.54 1562.89 2234.07 4337.39 2206.98 3078.16 5029.43 2075.64 2270.89 1471.89 3440.7 8825.85 1825.33 2598.89 2477.2 2323.82 1487.64 2376 2079.59 3046.33 2376.64 3012.23 1-pentadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine 1048.28 1768.19 2060.24 535.06 1273.93 738.64 796.31 1452.67 1026.17 1551.41 512.56 774.28 1292.53 903.14 817.5 799.45 683.78 1121.3 1890.46 658.72 1120.19 615.81 1090.16 1766.07 1102.63 592.32 708.47 1322.56 1796.88 1260.84 1289.69 1273.94 420.2 3103.39 1210.47 6962.91 1254.33 755.54 2970 5255.67 3281.65 2476.59 1999.1 414.9 1948.69 1473.04 1181.21 2059.87 1137.43 749.79 1085.44 1246.03 2236.93 1060.46 2650.5 2127.85 2214.35 1723.86 1023.13 825.76 2734.04 3624.08 634.19 1340.47 427.12 2409.31 1384.39 3336.46 5855.91 2112.17 1248.51 2257.23 671.14 1357.06 1192.3 1599.37 1610.8 1593.91 1600.79 1599.93 1353.42 1657.51 1713.08 1658.06 Tyr-Trp-Cys 1841.19 437.2 484.23 1042.33 660.77 677.31 977.79 1631.28 2700.82 1665.08 762.11 1347.25 515.73 431.1 621.61 1531.78 415.09 1334.13 1395.65 792.32 849.23 1828.44 589.05 1996.5 536.62 886.46 1352.4 458.22 564.78 750.76 1856.33 583.98 705.31 3053.23 3456.9 1410.15 2604.62 2205.59 3736.84 3597.87 2823.64 4129.98 1996.2 2001.48 4748.03 4331.24 1113.77 2421.33 2019.84 5320.61 2789.38 2466.82 1809.75 2297.36 2953.69 2656.16 714.84 3491 2825.49 3120.12 3142.31 1823.56 3133.5 1829.97 1878.03 3319.45 3616.77 3054.25 2754.62 3371.17 3185.99 3019.21 1585.1 1942.09 1594.44 2666.66 2607 2557.06 2583.48 2885.13 2790.25 2768.93 2591.2 2009.45 P1,P4-Bis(5'-xanthosyl) tetraphosphate 2338.25 2096.16 5103.41 2654.28 2991.77 4373.51 3908.4 1105.87 2793.92 2963.95 7450.14 5056.26 2267.54 3190.56 894.43 2638.89 3737.19 2496.61 2272.43 2868.24 3174.59 2673.54 726.78 2560.63 4626.6 605.54 2747.04 4617.96 2508.02 3714.9 3525.74 3319.37 2413.46 6467.28 5894.9 4677.34 3124.25 3861.11 8591.08 7478.26 6129.79 2990.21 6131.26 11583.95 6285.75 6107.03 2691.24 6967 4505.11 2850.93 7799.93 6260.75 4650.91 3458.58 9198.92 3974.03 3815.01 3687.89 5558.51 1137.45 8678.47 8344.33 3203.36 4670.83 646.56 3965.01 6065.31 1770.95 5661.24 4163.22 2583.09 4392.95 1598.19 3280.55 3251.73 3666.16 3693.89 3924.41 3615.87 4269.65 3939.5 3440.83 3671.06 4543.31 (Hydroxymethyl)(3-aminopropyl)phosphinic acid 696822.87 689286.81 751803.64 677010.67 735014.02 490714.15 280095.92 375641.2 640029.77 532040.72 88708.43 280936.1 331375.48 528804.63 517835.28 473910.69 444834.26 486663.78 520369.4 429904.58 284886.78 228016.97 289695.92 644761.38 726747.64 669756.05 694686.63 694909.49 729906.97 552922.05 551306.9 624544.44 284975.45 684264.29 616700.03 696689.43 636126.09 321948.97 594360.85 499734.87 458292.62 508155.7 617466.54 535052.12 602438.57 437523.79 604337.42 585697.95 397078.34 484475.74 439214.68 497276.95 534828.56 434618.65 256320.67 538918.69 521425.99 496097.73 520174.95 345258.49 492586.23 480058.23 518943.87 526722.86 566166.24 543810.44 476993.42 631619.36 584983.53 629078.22 526883.18 524090.79 330639.18 425474.08 509159.52 532928.08 534098.63 533927.89 532950.24 532025.73 532923.71 533683.17 534805.93 532582.58 3-[(Z)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole 721.97 1500.22 1439.42 403.86 2149.02 2236.75 1086.06 6412.49 2202.05 1456.43 1923.84 1344.37 869.04 2385.33 2856.05 1023.65 506.72 1413.95 2188.9 2743.39 963.86 1228.49 923.43 614.42 2215.25 942.69 1733.9 619.42 1561.8 633.73 3270.35 860.17 2204.26 1555.9 1715.85 2322.3 1765.79 1604.42 1580.23 1506.76 2455.76 2677.94 3065.74 2676.75 6972.86 528.5 3451.33 3155.04 1646.93 1822.51 2650.58 1694.32 1738.22 2425.67 2596.76 3883.77 635.28 2055.01 3959.63 1443.67 2169.61 1340.32 2165.23 1791.87 2554.07 2972.9 2435.38 1327.31 1734.72 996.29 2624.67 1679.26 2426.9 3398.97 2227.58 2606.94 2688.77 2724.18 2608.6 2624.08 2740.25 2790 2276.84 2617.93 1-Methylpyrrolinium 3738.75 4103.91 4932.42 4278.3 3342.58 2693.84 5977.95 7238.58 3631.47 3580.89 5800.54 3165.44 2636.2 3207.89 3404.4 4096.39 4350.68 3366.59 3660.06 1768.31 4432.38 3290.56 3139.78 3862.12 3634.27 3370.58 4003.44 3704.45 3481.07 3208.87 3343.22 3653.59 3229.83 3698.21 4047.16 3658.66 3873.55 3984.54 3164.8 3607.65 3217.63 3852.23 3364.81 3664.42 3330.91 3002.29 3299.74 3245.94 3998.15 3279.04 2987.13 3513.74 3036.36 4869.23 5369.32 3798.96 3851.04 3844.84 3156.81 4769.14 2988.63 3922.26 3716.67 3076.64 3777.82 3665 3260.49 3794.49 3488.07 3651.04 3440.59 3644.14 3239.5 4823.1 3647.51 3456.06 3515.75 3517.96 3574.43 3526.74 3433.19 3762.51 3663.41 3576.26 1,4-Benzoquinone dinitrophenylhydrazone 132919.25 165445.67 151997.63 122676.3 147981.42 62325.07 97579.48 171915.64 173998.15 140688.46 29220.97 83139.8 95031.36 127820.71 121921 107309.47 100059.87 118114.77 153824.65 101096.47 133834.71 58850.95 92854.52 140854.36 161753.73 161523.34 159677.94 165977.96 173612.93 101055.34 109534.1 138455.04 89262.95 150474.77 124209.22 180097.67 135463.71 43410.82 119575.08 89230.51 75826.82 106521.76 144580.56 112192.47 141751.8 80086.87 151598.56 140783.84 73400.31 98178.53 81376.65 100798.66 121434.03 81448.23 93370.34 129046.79 108156.99 98220.02 118666.94 57729.38 106150.07 98784.44 111256.58 112945.86 128779.85 123379.04 95449.7 160027.2 122136.79 162041.14 112529.66 110734.53 52355.9 72498.42 101648.76 117114.79 117779.89 117771.1 117601.85 115735.08 117614.73 117086.53 118311.02 117589.78 (3R,5S,6E)-3,5-Dihydroxy-7-[2-isopropyl-4-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(S)-1-methyl-2-hydroxyethyl]-3-pyridinyl]-6-heptenoic acid 1180.18 2181.95 764.89 3059.89 1497.75 1258.44 1944.69 3682.65 1216.34 5075.27 2158.29 1947.1 1123.38 1848.96 1135.54 2380.05 952.02 1903.66 631.29 893.71 2231.78 3715.41 886.18 1960.62 1141.5 2081.44 2419.22 1192.54 574.46 860.06 674.38 673.93 781.18 1374.57 2552.02 2524.52 3495.63 1224.66 3219.28 1875.79 1972.66 1278.18 877.26 1988.93 776.83 1531.61 450.71 2463.34 1340.75 1437.62 2505.54 2639.87 2742.08 828.88 863.82 1271.23 1426.11 3430.81 2001.93 2656 3918.6 2025.1 2500.2 2118.74 999.77 578.09 1854.41 2096.54 801.02 3410.66 2521.04 4060.42 1494.67 1191.77 663.3 1752.76 1952.28 1914.09 2574.05 1911.05 1673.28 1169.77 1811.41 1998.6 N-(cyclopropylmethyl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide 24000.06 24466.24 11540.01 12846.92 21671.2 15700.41 17140.1 17713.79 15906.66 10906.23 10747.14 5069.28 10620.68 14545.67 13361.5 22195.44 9409.53 10106.64 16504.11 9242.99 18948.07 5956.7 15137.69 18268.25 27068.88 21515.78 18179.33 19217.36 21670.48 9915.42 14366.27 29328.92 7244.57 21876.14 16185.74 15274.68 17200.08 13438.71 22856.15 19337.37 14116.18 19982.36 17012.72 6294.16 18598.92 12566.79 18151.67 14931.62 16276.76 20496.25 23628.44 15759.12 17795.53 23306.7 11505.74 15074.14 10914.09 9973.47 21239.14 4188.6 10256.03 15994.63 22967.7 10634.71 5777.6 19861 20243.61 13623.84 11665.99 15306.73 16975.48 14633.06 16339.73 4483.29 13299.57 14738.58 13884.88 15386.2 13799.2 13716.25 13798.26 14717.98 14642.86 16401.51 3-Cyclohexyl-1-propylsulfonic acid 10782.37 12052.63 5810.35 4068.51 13931.43 6501.02 2234.01 9248.83 4067.65 25691.65 3538.87 5635.71 3195.77 5805.99 14467.96 6400.84 6188.03 5992.23 6023.9 8942.07 30194.75 4426.49 3892.47 6678.59 10677.77 4766.66 3519.67 5427.18 9015.85 3800.74 6134.56 8790.24 9339.29 5354.42 5231.47 4779.65 9544.48 5003.22 5995.04 5777.01 8533.09 14414.88 4691.45 9368.89 6943.79 7005.75 40959.59 6617.69 3733 5808.63 9374.6 12383.7 2128.21 4891.4 6486.98 11988 4816.26 3729.98 10473.37 6439.66 3650.87 3851.89 11879.3 5887.29 5364.75 9604.8 12361.16 4904.48 5991.99 9387.06 9624.29 12186.11 4727.93 4634.03 5635.61 7466.88 7825.11 7456.71 7458.49 7664.61 6399.02 7644.85 7459.57 7611.24 (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol 386.23 1038.24 1963.74 1411.98 4998.6 2734.38 1690.46 603.39 1358.83 748.75 1303.55 1854.29 991.07 573.9 949.14 1506.81 1121.43 403.71 1597.2 1193.35 1460.43 1900.48 1522.5 1412.86 728.87 465.33 1292.91 964.36 815.31 1844.66 869.46 1964.08 649.83 1579.24 2562.26 2347.99 943.79 963.68 1138.05 1943.69 1029.19 464.26 1325.05 444.66 633.53 1611.01 944.49 1256.96 1084.19 1511.81 1036.22 898.97 916.25 849.16 399.43 1063.21 1391.2 697.09 1099.55 807.22 701.45 3435.23 909.1 558.92 1045.74 2341.61 736.89 1010.56 519.35 1890.73 944.49 1157.77 676.87 417.52 1940.42 1435.94 1269.46 1690.43 1228.54 1266.96 1413.43 1224.77 1118.68 1428.31 Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate 8410.67 4953.48 1244.46 2404.39 7286.51 4868.35 4364.52 7964.45 5871.39 3638.47 4129.72 5800.59 1864.89 4473.42 5225.75 4079.53 4037.04 6609.56 4671.87 2943.7 7544.67 3472.36 2238.43 1196.99 9263.99 6914.71 4328.93 5303.25 7559.16 8482.13 9473.69 5822.34 617.97 1532.49 895.73 9884.46 5653.27 912.89 2871.29 4631.46 8836.12 6989.26 2483.66 4188.15 5722.48 3529.93 5386.33 3878.23 4142.49 4139.74 8417.23 3149.36 1828.83 3981.84 7118.77 1737.87 2152.21 1912.72 4590.19 840.68 2345.05 1833.11 4352.64 3770.21 1814.64 4275.9 6971.13 5172.95 6851.08 5718.71 3361.86 4109.11 6095.14 2988.97 4177.05 5493.59 5698.66 5489.09 5512.9 5687.39 5538.88 5664.22 5511.11 5571.55 8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1354.26 1357.4 1159.09 5863.36 1478.19 6934.12 3069.6 6596.71 5219.07 3336.05 4939.17 2638.97 5552.97 6598.97 906.77 676.27 4365.63 658.52 1187.94 8529.28 6245.09 4771.71 2005.74 604.98 5046.14 1873.66 530.24 9998.7 4597.49 1261.75 896.11 1350.25 1292.91 4117.08 4948.6 3882.05 2960.54 8284.84 6276.14 2822.23 6345.86 8638.6 4675.89 5522.62 7160.63 3766.23 5994.55 7107.62 6896.1 2680.59 3124.84 2230.95 5573.43 4793.81 6109.04 6786.09 6568.43 8784.93 5220.14 3794.2 5853.46 3461.4 5474.12 5182.67 3921.8 6131.82 6036.85 4750.92 5077.34 3519.84 6504.7 5166.98 5994.46 3858.13 3121.7 4704.35 4626.84 4859.11 4858.63 4668.37 4627.69 3388.9 5569.38 4864.83 Carnitine C15:DC 4465.12 6804.51 586.8 2247.06 8249.31 8195.49 13385.7 18314.58 5628.17 5198.05 8070.81 2880.45 5301.19 4003.4 5956.42 4224.19 2199.88 6777.31 6064.13 19947.65 3044.37 3275.15 2610.26 3445.89 6190.44 1944.51 2275.05 5079.24 6603.59 2794.12 8733.06 4916.41 5195.25 14581.96 2897.47 5783.42 7822.51 9518.62 4370.12 6395.44 2517.66 8739.85 6274.81 5197.9 7848.44 2803.39 11510.75 5362.08 897.68 4449.24 4639.59 9983.18 4761.94 8066.45 7970.73 7128.53 6816.58 6789.17 1899.3 2141.69 4862.24 882.21 7189.66 4451.46 7423.72 7323.32 6290.02 823.65 5144.7 5700.61 4355.59 2526.53 8947.12 11520.97 2265.75 5755.22 7066.98 7769.93 7358.68 6946.71 7066.6 7092.26 7400.28 7177.44 Poloxamer-188 1904.54 1336.2 1129.16 1633.59 1153.13 741.25 1529.75 3552.51 1587.61 1627.23 2328.22 3212.46 969.02 1905.71 1987.14 1473.1 1846.73 878.18 2144.05 1014.6 1877.81 566.26 2316.31 2264.2 680.78 1328.51 770.16 2208.63 1845.53 2069.25 2267.42 1704.48 1333.45 1775.49 2064.33 1079.97 509.66 2661.5 2073.25 1226.43 1007.16 875.3 1736.98 2011.3 736.43 1456.7 1517.31 1302.15 2056.47 569.73 1976.12 1668.24 1255.62 662.31 2240.7 1556.6 1334.36 1789.35 1299.36 710.56 1309.38 1820.23 1623.54 1145.98 1649.98 1125.32 2282.37 1552.79 2441.32 678.51 2220.17 545.01 1987.53 1465.68 1139.55 1911.11 1894.72 1890.37 1256.71 1881.61 1885.46 1782.08 1715.05 1861.57 chanoclavine-I(1+) 1727.32 1838.23 1611.1 3268.17 2321.45 4405.17 4860.14 2070.39 1570.36 1667 2055.66 2104.4 4541.57 2369.15 2513.7 2636.95 1755.1 1279.19 2007.96 639.5 1950.71 1756.26 2238.24 1833.48 795.48 1593.59 1403.62 2785.97 1847.46 1381.99 3018.29 2341.55 990.39 1787.59 1720.68 1083.72 1124.98 3885.58 1446.6 1888.34 2015.87 2120.81 3880.51 1778.47 1859.86 2487.05 1954.64 1564.93 2262.32 2128.7 683.38 2398.07 2197.16 1619.01 1377.23 1465.52 1145.38 1574.13 820.46 2205.21 2024.48 1752.3 1796.36 2088.7 1205.36 741.58 2345.52 1961.62 2341.31 1802.22 2119.41 1949.44 854.3 4814.72 2821.17 2216.6 2377.91 2215.07 2301.47 2670.28 2207.68 2299.76 2321.22 1838.56 Salvigreside B 3043.13 6952.5 2604.77 1069.02 16336.37 10586.85 4966.48 19230.21 12965.54 10952.73 6141.91 49038.98 3861.89 15798.05 13491.77 16153.16 4621.96 39462.12 6104.17 4269.61 15184.97 975.71 1027.49 5813.39 6397.35 2587.43 3773.33 12723.17 6200.81 7908.17 3373.62 59803.07 1877.11 3590.31 4133.76 15152.03 2562.61 3250.09 8321.33 2719.37 6736.85 17372.48 5573.71 1153.4 21496.7 2725.46 1508.47 2462.17 28932.42 4989.5 16062.49 11495.83 8185.98 6828.16 3811.73 2371.02 641.22 1171.36 25592.65 1372.38 3820.54 754.92 11732.34 5524.6 8220.58 5802.37 12362.25 3726.03 2647.03 13310.61 6766.31 1562.31 10371.91 7148.23 8470.61 6934.01 6895.44 6361.46 6208.61 5413.74 6440.2 6672.47 6890.19 6485.56 Bis(2,3-dihydroxypropyl) phosphate 36193.19 33869.78 42979.36 32266.01 40065.37 16299.21 111915.97 108893.16 50501.31 29239.7 31846.98 27129.93 41149.52 38048.84 35546.21 33546.21 29498.24 34508.56 46831.42 27788.61 143390.24 20633.33 30602.15 37257.12 44504.75 38829.11 42868.48 44789.73 48535.06 25818.24 24713.66 35161.32 30267.28 42553.3 24249 48966.19 36951.06 10496.12 33673.32 22718.66 20860.84 29301.54 37978.98 20801.82 33430.1 21038.24 41031.62 38653.49 18904.67 26586.16 22178.61 27612.6 33000.04 20851.1 94484.68 33975.3 29427.91 23876.98 28520.66 14117.76 27563.39 27828 26955.25 27907.13 33438.37 31989.63 23648.06 43468.24 36099.67 41652.98 20345.13 24726.13 10787.75 18041.66 24530.23 29788.17 29491.22 29503.19 29370.89 29393.9 29795.74 29801.04 30138.78 29497.34 Gly-Trp-Ser 17053.38 16873.92 7565.6 4150.56 18465.29 19181.71 7652.79 15651.88 18923.93 8220.56 1625.26 7360.31 4190.07 7984.29 15495.63 1971.07 4636.65 15962.14 13189.36 37052.14 16855.97 15903.93 3910.45 3858.57 20486.72 20147.74 3589.12 7687.24 8525.06 5209.59 11196.18 6127.32 9088.42 8470.45 3991.1 14494.96 9070.15 13131.29 5452.36 1292.74 13746.34 16961.41 448.12 2079.64 16604.8 8227.05 6941.65 3460.83 2653.26 3219.38 6895.98 15594.08 7879.62 2896.37 4311.62 4645.66 574.28 481.62 11165.15 1783.75 5169.42 4957.33 12954.3 8570.94 3485.27 14928.04 10384.54 1687.79 3882.74 13295.81 13261.73 11219.5 3503.26 2435.67 2452.78 8715.72 10575.84 10591.28 11125.99 11116.72 11078.09 11274.64 10646.46 11115.53 4,5-Didemethylsimmondsin 1264.22 4209.95 1513.15 3020.87 1878.07 4866.95 878.64 704.16 1515.82 2328.79 1214.3 826.25 363.28 1981.61 4168.66 2694.52 815.18 1827.74 2412.42 1156.79 2215.57 1552.95 725.49 668.99 1891.53 3309.92 459.94 2482.51 2699.17 1995.98 2259.44 674.71 1923.25 1904.38 3827.25 2141.2 945.15 5250.41 1854.12 1648.78 1667.27 364.21 6038.07 2311.72 4642.71 799.52 2360.9 1910.36 1902.97 595.37 1298.14 2878.68 2199.82 2782.95 1748.73 3803.79 1846.75 2658.96 2216.74 3204.7 1049 1838.45 5386.81 2279.77 2761.44 3893.96 5277.83 1226.99 1955.61 2701.58 4632.16 2724.71 1467.66 4932.4 4019.28 3090.88 2567.1 2861.58 2766.31 2688.98 2922.22 2836.87 2920.63 2692.98 Guanosine 3'-diphosphate 5'-triphosphate(6-) 23879.36 19906.8 11396.02 14336.1 21044.38 31048.18 27013.01 22063.12 32511.15 27215.82 12617.02 6986.18 14944.6 766.94 13094.36 664.76 14102.72 13767.21 15743.74 14189.47 20723.9 13607.76 10382.74 16864.05 10459.42 20826.28 11790.11 11261.08 6996.6 7893.5 10974.15 18667.74 512.24 27363.01 18077.75 6353 23295.74 23846.33 17336.06 13261.57 42504.65 25498.45 12823.11 10768.33 28582.17 15441.39 7337.39 5484.19 4310.71 5265.78 19009.52 24481.58 13315.27 16501.22 16311.15 20469.93 12524.79 9538.37 18447.93 18042.75 13899.87 15318.5 18020.74 15474.62 9648.35 21328.78 38730.91 12283.24 12866.66 22243.26 23451.89 26024.6 16551.59 15640.57 17285.16 20181.21 20220.33 20169.02 19992.28 20148.9 20187.98 19992.49 20183.51 19779.71 6-beta-Hydroxy-mometasone furoate 110.56 121.65 141.63 109.18 97.21 107.85 109.86 128.52 101.29 88.8 77.77 46.34 96.76 115.82 99.01 86.11 64.95 104.06 105.17 120.88 124.95 43.35 101.7 128.31 98.12 108.38 80.86 110.63 138.91 140.18 128.8 134.55 101.78 172 94.67 126.9 95.95 135.74 134.68 120.27 162.15 102.23 99.85 102.26 104.56 124.45 110.45 98.24 90.91 121.37 82.87 112.68 120.19 110.32 101.66 86.37 93.66 116.1 91.38 115.9 96.58 98.96 87.01 116.86 114.93 118.87 123.99 121.83 133.28 86.06 124.42 112.73 118.21 121.26 113.07 2064.03 2071.95 1764.93 2101.52 2115.41 2102.84 2147.75 2147.4 2146.42 4-[(4Z,8Z)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one 3021.78 1473.09 1452.58 1232.14 2812.84 2289.04 992.16 1559.58 1781.04 688.01 1788.63 2712.67 3290.55 1362.11 2364.63 1246.47 1373.54 1598.53 2746.66 4036.78 1553.1 791.41 1003.54 664.33 1818.7 1657.53 1621.66 2614.02 2200.18 2079.82 2937.04 3753.46 1450.62 1536.58 516.44 2627.24 1601.95 1148.08 507.77 1030.98 4378.96 3306.36 655.6 927.63 3433.47 2389.25 1146.46 2457.35 2586.64 3839.51 3218.04 1096.54 1057.32 3148.36 967.22 1231.29 595.94 735.31 947.5 492.97 861.89 654.63 813.98 604.55 721.36 2376.15 1699.81 2050.21 1352 1597.05 1326.04 1504.92 1024.57 1038.15 1362.67 1614.84 1281.08 1632.19 1597.85 1517.2 1483.12 1577.12 1656.15 1581 3,3',5,5'-Tetramethylbenzidine 1306.27 5849.17 2461.14 4132.13 8732.88 15074.35 1006.28 2394.7 1910.28 1976.19 450.2 377.72 1843.85 1775.89 2980.41 1700.61 573.93 587.21 641.43 1436.96 1738.39 26492.01 2680.24 626.76 542.84 585.07 1894.29 1387.96 367.74 1988.12 3083.95 676.69 2682.03 2061.24 1012.53 581.3 1460.12 5510.39 1293.74 2025 616.49 1809.8 743.22 1093.66 2165.19 968.22 2763.1 1249.58 585.65 907.21 484.74 2440.47 313.15 1833.95 2184.91 5368.47 2264.76 1998.48 690.7 9564.43 1420.41 1403.9 411.71 2353.15 3617.67 762.04 2123.46 983.57 1266.42 1027.75 1109.19 4482.49 509.83 3300.69 358.17 105311.77 110478.23 107911.64 108023.23 102025.08 107392.26 104571.74 98601.61 108681.15 114918.67 148123.14 104689.59 99116.68 105571.24 115867.93 179934.55 110667.78 110780.07 111083.97 114427.72 110386.28 110379.13 119744.29 109122.61 115051.01 2907.4 2975.81 3033.88 3089.44 3062.85 3089.34 3053.41 3132.63 3037.05 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 6723.7 11171.97 8165.17 7500.89 3988.06 2285.63 21775.42 13444.11 9858.48 7554.78 6756.34 5345.63 4947.43 704.29 4607.04 871.77 6717.21 5699.5 8311.05 6338.3 717.41 5380.96 6428.74 7362.31 8050.34 7419.74 6260.2 7406 6414.96 7374.22 6719.46 518.99 725.34 11990.38 10555.28 11852.72 16349.08 11706.26 10720.29 11838.74 12018.54 13605.21 10269.31 8764.23 15895.77 10405.56 13780.95 11238.81 12230.1 4593.16 5067.72 9272.86 3251.46 9415.58 10253.03 7353.52 7203.24 6882.84 13876.09 9306 8450.21 8765.41 11023.87 11890.81 8616.27 13225.72 8198.77 9114.31 11815.59 14624.63 12981.27 13791.13 12504.05 43495.78 8356.69 8718.05 8891.55 8712.3 7159.33 8565.1 8509.06 8542.79 8905.85 8870.1 1,3-Bis(2-methylprop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione 1388.42 1494.43 1462.29 1241.56 1507.41 896.27 1213.43 1506.52 2077.28 1442.58 607.33 778.82 1060.29 1074.25 2017.66 1220.3 1092 2436.39 527.15 1328.95 1192.76 536.07 595.39 1109.73 2192.04 1093.5 680.6 528.86 3822.55 974.2 4196.38 922.2 1980.39 1585.93 1081.52 1456.19 1267.18 1188.9 1269.54 569.02 3791.92 1544.58 1249.28 1229.48 1231.38 797.83 2598.74 1413.55 508.15 1544.48 891.23 535.6 623.64 1146.89 865.71 1348.72 1195.54 1075.97 1226.34 1071.21 1171.37 1421.61 647.2 1038.83 643.19 589.34 2162.16 1224.02 1218.91 2240.75 4382.12 2023.53 1416.44 984.5 1019.56 1289.17 1285.56 1351.29 1351.14 1311.64 1367.63 1073.65 1346.35 1267.7 PE(22:0/22:4(7Z,10Z,13Z,16Z)) 1764.75 1218.35 1656.54 571.03 1454.36 1181.49 647.76 1229.63 354.4 863.71 948.67 1962.37 826.35 1089.63 1301.67 345.59 1183.84 1972.17 1068.14 1892.09 1041.36 652.17 914.93 1777.59 844.56 1644.76 670.83 1146.43 240.04 1502.28 1533.09 752.25 246.66 7193.92 3437.4 8643.86 7962.88 1360.42 2152.26 2617.03 386.88 10039.12 5010.13 3654.26 3440.39 3402.6 9572.49 3851.64 1915.22 3131.08 6885.04 4044.53 2926.78 1096.15 8565.91 4381.14 6831.58 2477.81 4456.8 1830.38 3248.65 4134.64 8897.61 4875.81 1659.52 5832.08 1494.98 3617.63 2805.37 9334.43 3357.11 1134.64 1180.79 869.2 1980.64 4620.89 4621.56 4479.25 3819.66 4478.84 4625.32 4469.71 4592.74 4574.91 1,2-Dipalmitoyl-phosphatidyl-glycerole 718.96 495.58 1193.17 11543.24 16524.42 1474.56 782.04 1097.48 2639.22 827.86 470.18 767.46 463.37 1964.26 2301.32 1261.31 1239.6 2214.46 2019.83 1484.28 6216.72 351.89 774.28 2347.24 402.68 351.38 462.45 1130.78 779.02 1405.03 430.56 898.74 1438.15 498.08 574.24 819.88 497.49 830.92 1081.07 606.41 1105.92 335.94 956.08 1144.63 1619.66 4823.37 2303.99 989.75 1191.29 1289.44 1630.69 373.71 1161.64 1187.87 585.28 681.45 1366.57 819 383.44 1476.96 992.46 306.41 765.64 1062.8 1708.85 368.59 1746.34 772.38 836.22 1530.96 342.33 1291.84 252.01 654.61 302.03 2128.7 2009.6 2306.29 1868.28 1995.18 2235.5 1866.88 1890.98 1853.99 Crimidine 543.93 1529.63 2593.54 1531.65 2017.7 5474.56 1455.03 2478.94 2376.4 1654.28 2418.12 1314.98 1500.94 862.49 1979.58 1570 1396.63 1381.56 1124.56 3068.5 3445.51 971.55 1703.26 1861.2 2231.24 807.05 1075.41 705.41 5301.39 1284.39 4291.54 1553.84 2768.94 1188.29 788.13 859.44 790.92 2276.26 1751.67 1697.13 1754.81 3344.62 1350.09 1387.68 2376 890.88 3116.79 1841.08 859.78 3625.41 1042.43 1014.12 1865.38 3386.37 1101.48 2877.68 1723.45 1863.75 2616.32 1680.02 1311.37 1089.89 1940.34 3025.13 3011.21 2380.08 2405.77 612.7 692.47 2421.84 2717.13 1816.29 1305.2 1843.89 2109.48 1624.87 969.14 1729.7 1744.69 1984.14 1672.9 1704.25 1733.82 1584.03 (1alpha,3beta,20S,22R,24S,25S)-Pubescenin 1004.35 2588.59 660.2 1733.31 1965.2 1284.33 1053.28 4295.72 1974.44 717.73 774.13 7153.35 6114.01 531.35 1547.15 1504.31 2897.82 2150.34 1170.52 2298.68 5617.5 896.47 3848.63 2511.73 1823.15 2739.02 957.33 3627.55 13068.26 5380.42 636.36 1550.79 537.61 1074.39 381.53 10749.53 2818.99 1655.46 454.79 1051.71 6825 4002.49 1526.68 1655.62 3135.83 854.49 5184.6 6641.74 1533.56 8425.47 1884.52 1845.32 1594.64 2183.49 1952.91 2272.64 556.56 764.58 1603.14 1018.12 471.92 1026.76 1429.41 1661.14 972.11 1498.75 2865.4 1266.56 739.78 2875.08 2246.39 1645.87 1159.12 3432.61 3620.23 952.99 2781.4 2679.27 2600.1 2560.72 3228.69 2885.88 2521.68 2816.81 Lucidumoside B 5204.71 2660.47 1954.36 3353.41 1208.1 1019.37 2926.52 2564.97 3308.73 3136.99 3670.33 1686.43 2498.83 913.17 2463.27 3987.97 1148.16 1353.09 811.79 722.46 679.02 4130.07 549.6 3349.3 3350.74 3883.8 941.59 3285.48 2418.62 4259.37 4688.02 2123.94 2272.57 1014.25 3697.12 2349.3 4371.58 2517.08 3609.05 4714.56 743.58 580.93 1140.22 1986.84 1469.32 2244.12 2607.76 1093.82 3856.36 1484.69 2345.58 2759.72 488.78 1214.53 3743.55 1151.61 970.3 667.45 3339.51 1877.04 1798.77 2106.36 4178.1 1778.12 1997.61 1782.31 1594.16 2316.94 2462.26 2460.85 3033.75 2491.68 1797.1 3607.82 940.25 2544.11 2413.77 2933.25 2397.65 2733.11 2502.64 2730.14 2859.9 2552.9 3-oxo-3-[[3,4,5-trihydroxy-6-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]oxan-2-yl]methoxy]propanoic acid 650.52 1287.83 515.29 1361.86 552.59 348.84 2272.01 456.43 2260.79 457.85 2227.46 889.05 344.55 1469.94 969.08 1612.48 581.92 1673.89 673.07 1300.07 2021.95 360.9 1723.64 542.02 1152.5 754.36 814.39 603.47 438.15 922.63 719.4 1600.97 664.67 469.91 6026.36 1135.65 599.59 4241.31 2458.33 2722.72 3167.24 2391.12 6275.93 5696.13 1216.09 2551.63 2363.91 1475.77 2724.39 946.49 4571.75 2292.78 4070.63 3169.48 3175.7 2326.98 3955.2 1015.19 5111.21 2334.31 4615.11 2817.43 3581.85 8082.54 1811.85 2458.05 3658.72 2789.55 5983.72 1396.83 2951.14 785.64 1756.37 746.84 3714.83 2602.5 2589.09 2296.7 2257.59 2746.99 2337.78 2652.95 1501.72 2362.32 5-Hydroxyindoleacetylglycine 3741.87 670.68 321.57 1906.87 907.22 2374.78 1181.61 1955.04 1138.55 1140.76 2040.61 1839.21 1744.87 1102.94 3795.83 1710.24 296.74 3849.69 3823.54 7398.49 2916.27 829.37 516.81 2732.23 2362 3670.16 925.6 1653.47 5460.39 1640.85 2800.92 2603.12 709.04 4761.59 1772.66 5949.22 2210.57 2347.13 1160.65 852.73 2120.9 4203.54 2973.38 1052.26 6238.55 2343.83 4451.43 4572.08 749.84 7253.03 1707.46 5394.29 1763.41 2575.56 867.15 1236.25 1800.26 619.96 1867.29 481.6 923.23 1428.74 720.99 1290.72 938.98 4467.05 4610.1 2542.65 3682.59 1744.42 4385.29 2447.83 2008.18 3211.33 1462.42 4659.32 4816.46 5182.99 4390.35 4331.46 4249.16 4711.28 4375.99 4322.2 13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid 796.01 13741.09 13822.76 6496.2 1360.18 9064.89 7913.02 10189.27 8376.23 7133.84 4886.14 6102.8 682.42 469.96 14943.16 1459.43 13111.77 15710.99 566.32 9333.74 7894.02 15530.21 495.76 472.25 15889.65 15913.61 5183.92 13349.15 989.58 13010.37 14266.22 8786.61 12625.31 6345.79 5270.29 9910.51 9620.19 10723.5 8025.41 9178.54 11982.65 11227.7 6777.09 7069.01 10571.62 8280.35 11778.08 8250.04 10393.07 8937.64 7217.6 12302.88 8976.56 7173.68 3496.24 7405.06 2825.12 2691.68 8963.6 5497.34 3719.02 4397.43 3759.57 4361.78 7869.09 5074.04 8661.31 2917.84 9171.87 8581 9125.13 9814.37 11024.09 6650.39 9119.04 9117.52 9085.91 9070.83 9270.78 9226.36 9273.67 9071.32 9647.7 9285.76 (2E)-2-[(9Z,11S,13S,17S,25Z,27S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol;dichloride 1069.76 10950.48 499.6 401.44 5751.85 1158.67 4177.03 1236.38 2497.02 2548.92 3015.97 940.97 965.98 766.25 518.72 1205.17 833.3 918.15 669.18 1511.79 2139.52 1550.55 1376.68 1468.71 1481.58 1151.49 2337.17 1098.36 754.85 1082.48 908.84 2122.57 845.62 1398.48 1383.92 1776.87 11656.03 3029.74 2398.05 1954.52 4483.57 3814.9 1564.74 3482.86 10145.68 475.48 756.02 925.95 2742.73 2097.34 3747.35 1895.89 671.63 722.41 3650.28 1377.67 1508 1454.6 3893.24 1055.92 1599.44 4898.81 2948.45 4573.36 4959.85 7382.2 8774.31 1507.02 1503.6 3772.87 2188.69 5389.3 3546.16 2230.02 1835.75 2380.88 2512.52 2150.84 2447.69 2287.81 2124.57 1639.42 2412.06 1714.49 2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridine-6-carboxylate 8721.11 15960.63 18937 4945.12 6221.85 645.67 1470 9260.66 24605.44 8998.76 8499.2 6687.3 13561.48 12160.22 10129.24 13385.47 16113.29 9382.82 7203.87 4727.04 5500.36 4574.59 12798.38 8842.87 6574.13 19378.84 16779.54 9329.97 5640.64 9135.09 5103.2 8165.99 7707.44 11340.12 7303.73 16033.42 8768.62 3814.97 7951.43 22287.98 1981.35 8062.8 22775.56 9698.63 17210.05 2260.83 9981.72 8613.77 4394.43 14729.01 4256.06 8741.4 12709.97 4940.95 6527.72 8855.77 14203.48 6049.54 7636.64 1643.74 17470.41 8927.09 13702.23 6323.08 7273.62 18135.42 5440.01 14520.88 14661.67 11478.21 11070.89 15357.08 6007.39 16655.61 10213.07 9621.73 9740.39 9543.32 9143.37 9079.27 5776.59 9622.13 9021.13 9635.57 2-Methoxy-10-[2-methyl-3-(methylamino)propyl]-10H-phenothiazine 1302.47 5297.2 959.49 734.82 2691.91 2119.47 2183.64 3622.35 2930.68 4152.42 4492.65 2442.66 571.03 929.23 4428.41 1763.13 4935.15 7084.27 1873.32 4984.21 3787.68 1880.94 882.28 2440.59 1998.51 5141.21 1927.75 722.29 2779.27 2974.55 3094.59 1165.81 8511.58 1025.31 2662.22 929.97 6812.12 5957.09 2545.78 7049.68 818.62 1045.58 3128.85 2641.06 2404.33 1071.5 3554.15 4322.66 1944.14 555.06 1013.84 3303.16 1638.1 1518.46 1470.63 5416.1 6176.44 7347.37 8030.86 6619.58 4284.58 3188.44 4432.12 6478.58 7724.2 2784.98 3195.71 2234.77 3346.48 3187.09 6246.88 3761.66 2860.32 1670.86 2511.57 1751.6 2432.51 2674.39 2422.91 2406.87 2364.6 2650.42 2949.56 2595.55 UDP-D-galactose 580.78 3593.86 3404.21 2913.72 801.86 759.78 1873.05 411.28 468.34 635.59 841.83 365.72 2659.69 974.74 319.98 451.5 458.37 395.92 441.13 563.2 682.06 671.11 2767 627.46 404.04 372.83 706.41 428.77 1039.7 489.49 1483.84 428.52 529.13 4396.92 1879.57 2864.67 1993.18 4978.32 3181.78 973.25 738.92 2154.44 4537.92 411.91 1529.98 5796.03 1662.48 1750.04 3865.39 2725.58 5661.44 4004.54 4162.24 2181.77 1905.04 2103.89 535.43 324.48 435.51 1450.05 3605.86 1797.18 5541.03 799.78 608.82 2079.6 3400.26 1641.34 4538.29 1936.89 2408.5 2582.26 1346.98 857.05 2609.97 184364.59 182420.39 95103.06 85223.8 54835.22 117210.43 180725.68 98403.32 363386.89 410361.4 341026.63 393180.57 233974.66 67665.15 289441.7 170710.33 163558.91 223482.96 98824.0 223802.58 225248.31 218486.34 207380.0 315342.25 229101.48 2280.88 2352.71 2978.77 2504.31 2363.79 2564.7 2322.26 2705.65 2297.85 1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate 51323.39 43580.28 53990.55 41299 57757.71 19757.79 41777.32 62983.27 63806.24 55951.73 12308.6 29887.96 41645.9 51237.23 46229.44 45555.25 38853.46 47285.49 62056.97 38651.67 52392.15 26291.67 29624.63 54879.23 63379.91 62139.7 59412.15 61699.06 68479.77 35122.74 37505.71 51124.17 32392.73 55969.33 46764.53 65968.61 52414.16 14380.4 46303.43 34640.94 27321.27 43669.03 56505.55 41938.85 52224.41 30762.19 57122.06 54399.38 24937.74 25959.9 29507.17 37795.56 48466.11 31021.31 34320.76 45684.19 41706.86 34594.67 46817.87 21081.84 42190.11 35133.86 40927.44 47879.54 49537.21 40784.18 32192.74 56475.48 45607.2 58467.27 38964.11 40677.44 18037.6 27537.94 42244.94 44557.71 44026.21 44548.24 43806.51 44369.14 44784.89 41531.87 44028.63 44760.81 Ser-Gly-Thr 608.27 1692.8 650.01 1294.91 1278.8 1323.95 13560.7 1392.6 1572.19 1828.22 829.07 1347.03 2764.52 5669.86 5657.63 693.53 1111.59 1712.12 1345.03 1825.76 3484.83 2294.37 982.95 577.26 2674.45 2269.92 1389.27 1567.17 3088.76 696.92 1751.57 3354.57 1467.22 1998.18 1319.99 1848.88 2892.89 2461.88 1587.31 592.71 3165.65 1839.14 1230.68 7605.62 2100.58 2983.02 2121.64 1111.68 3396.31 6090.77 2481.47 835.12 1422.93 732.48 855.58 1912.33 2673.98 2090.1 1406.93 1023.15 1733.73 646.37 1073.06 1661.13 569.72 2202.4 1188.38 1029.92 1123.72 1132.05 2501.16 2454.25 998.36 1043.91 5698.37 1811.56 1658.44 1741.68 1532.73 1767.75 1460.87 1678.51 1981.87 1469.8 NCGC00384750-01_C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate) 6149.77 9191.61 6678.1 4336.89 7700.38 5794.4 5367.11 6820.75 2902.27 6203.47 4081.21 4450.94 4443.71 4617.94 6661.4 8613.09 6904.96 3059.84 5922.66 8966.05 7138.67 4975.61 4790.86 5006.15 5335.64 3608.49 5845.13 5451.72 5593.38 9400.19 7931.8 10452.34 4811 7210.46 5989.53 4294.4 8257.27 3344.38 7558.07 3123.5 6335.7 6755.22 4947.25 6867.07 1779.37 5551.71 5209.11 6921.5 4655.4 6684.88 6268.9 5118.47 3940.15 6689.13 5463.67 2035.93 6596.7 5329.07 7396.45 5296.25 8892.92 3761.77 6582.41 6496.57 3008.97 6123.48 2352.21 2748.32 11106.09 7712.8 7452.21 4917.53 5634.65 5654.05 5398.85 4333.16 4002.67 4295.6 3728.16 4308.67 2646.25 4320.45 4020.78 4100.35 PI(18:2(9Z,12Z)/20:1(11Z)) 11131.16 9913.59 11564.52 8500.56 4145.39 8824.75 1367.9 4487.3 3183.99 970.05 755.86 836.14 3677.47 3421.45 3249.84 2577.82 2501.59 2958.66 788.1 667.48 957.87 3260.08 2762.19 3037.49 3016.72 1229.61 3037.63 737.27 2758.31 2740.35 9943.94 4069.28 681.67 7154.04 12622.27 11757.39 8152.93 9324.32 8955.68 16941.67 2569.94 6282.04 3644.66 5086.92 2370.63 4757.99 3880.92 2607.09 6940.95 2344.24 6553.56 4214.43 9806.18 2569.53 2418.6 4651.8 5894.2 2235.31 4139.33 5019.04 4847.91 5831.77 2980.66 2055.4 4420.05 1025.55 689.23 2033.01 4986.32 3946.54 2701.77 3399.76 4156.18 2012.54 1979.61 2353.58 2397.52 2027.57 2350.78 2351.88 1753.05 2088.52 2219.46 2498.83 PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 10976.12 21284.57 14517.93 19892.41 27992.98 29286.3 13028.19 13707.02 13834.91 13185.13 12894.38 17516.68 31242.96 25727.06 16718.12 19180.89 16261.2 29110.97 24186.78 27720.21 23517.93 16916.82 18990.07 11165.28 9393.57 22241.45 9379.5 10096.16 18547.07 16020.31 28731.8 34400.73 19141.37 32265.9 18747.16 29926.95 25558.76 32883.24 25110.09 21191.15 38509.8 39886.46 21394.72 16635.98 29660.85 20845.13 23309.85 24936.14 16070.86 58547.75 30037.46 31296.78 22191.2 31765.39 18312.01 30725.05 21573.16 19884.43 15918.32 15050.44 15323.5 14016.63 22840.87 18721.2 14962.61 27377.91 33749.03 20246.09 17699.52 14885.29 19378.76 18576.16 18228.15 39636.95 27498.37 29277.13 30018.71 30225.5 29602.32 29672.19 30302.48 32639.04 29569.11 29981.8 Clavulanic acid anion 2955.15 2576.41 3327.05 3360.77 1645.77 2840.8 2011.8 726.32 3465 2825.2 642.43 2244.05 3284.54 3946.24 2302.22 2567.54 2330.82 2596.54 3398.85 3340.08 1088.79 2276.42 2357.23 2847.02 3185.43 2826.88 4244.51 3984.65 2894.35 2364.89 3127.7 3089.03 2486.57 4474.6 2766.45 3855.48 2547.04 1707.11 3176.81 2113.52 3037.86 2567.47 2073.06 1364.53 2190.92 2917.24 2970.05 2082.42 2222.42 2833.33 2417.05 2683.76 2736.22 2300.6 1908.48 2012.79 2276.43 2237.78 2648.27 2356.22 3473.1 2249.9 3510.17 2679.09 2088.89 2847.41 3472.14 3750.4 2722.52 2769.1 3097.31 3019.92 2311.73 1276.94 2712.26 3457.24 3342.42 3390.76 3389.29 3411.97 3377.76 3409.96 3127.59 3335.54 (Z,4Z)-1-hydroxy-4-(5-methyl-3,6-dioxopyridin-2-ylidene)-1-oxobut-2-en-2-olate 550.46 715.23 451.4 414.14 756.99 636.59 821.58 886.81 655.4 764.37 859.19 579.46 496.3 523 682.22 818.19 508.14 471.51 656.97 1219.16 779.86 609.55 504.7 395.86 621.72 861.25 731.13 461.11 961.41 498.97 667.67 569.59 393.36 478.06 650.83 532.79 576.21 589.72 367.86 627.98 436.76 575.76 482.29 727.01 415.74 680.57 494.38 408.78 558.69 685.61 770.82 882.05 509.43 680.41 435.71 650.75 652.21 611.55 385.98 978.5 319.22 604.03 420.33 842.64 544.94 793.66 629.49 502.71 428.36 514.61 352.63 1015.34 454.8 573.39 434.94 932.09 901.38 928.4 1304.14 1121.03 1016.26 930.65 935.49 892.37 1-{4-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenyl}-3-[3-(Trifluoromethyl)phenyl]urea 19129.74 23583.79 28310.6 26822.92 8614.63 8670.37 17623.17 12369.6 27174.73 9043.88 8573.28 6854.52 9364.45 15407.42 24767.13 11023.53 12095.3 21143.56 10154.15 15365.2 17663.24 5031.48 11481.33 18097.37 21740 3335.38 10359.14 13753.06 3972.23 548.7 21763.84 6494.53 6327.09 22628.42 35749.71 10633.09 21619.52 15389.69 10447.65 19660.19 15007.89 8433.67 20093.9 17008.48 11034.57 6045.43 19264.19 4651.25 620.03 11252.58 8138.29 9314.22 21852.28 19651.58 10233.94 15705.45 18554.19 28966.39 12273.27 16929.44 25284.7 10426.93 18721.46 30174.79 18767.5 12323.8 11728.58 11293.46 7775.89 10244.63 4512.43 13734.91 16304.92 44821.02 15695.33 13963.77 15334.39 12587.46 14358.9 10578.37 15451.58 13753.82 14498.91 14796.96 15(S)-15-Methylprostaglandin F2alpha isopropyl ester 10307.56 10690.33 7133.33 5688.34 10399.56 13720.14 1466.96 6322.58 8231.7 7550.16 3749.49 6828.1 9712.02 11720.05 7343.43 5483.5 7979.83 13027.28 9393.83 13769.67 2098 7139.46 4624.5 3770.35 8586.75 9924.14 6454.28 6105.38 11375.91 9843.86 7757.07 17442.04 3643.14 10217.22 5682.61 10404.83 6857.34 13240.25 6300.02 8570.2 13201.29 10749.44 11136.84 9441.34 10776.43 3573.44 9587 7068.57 7447.62 11616.2 13977.85 11112.83 6986.35 8768.14 7697.05 12057.71 8216.37 6309.87 3589.48 7293.97 8167.4 6390.04 9147.6 7673.73 10173.44 6655.01 13045.85 5940.79 5150.25 5947.61 6879.1 8454.32 6766.08 7070.55 7141.96 8525.76 9051.1 8460.16 8495.09 8773.17 8750.07 8753.06 8384.64 8626.48 5-Phenyl-1,3-oxazinane-2,4-dione 2193.1 812.77 15402.22 4873.54 759.52 15308.59 3009.6 2222.22 379.55 826.66 2417.5 1873.85 534.14 433.46 3387.43 356.61 3026.81 475.94 1169.85 1379.33 628.89 23354.69 1731.19 279.37 2163.37 1349.59 577.64 2482.99 536.42 1760.11 219.63 345.43 672.67 2008.6 272.94 535.72 274.74 22919.68 1647.03 623.11 562.17 675.29 241.85 538.94 277.39 408.2 1641.07 2535.71 887.05 445.99 1767.76 817.88 2098.72 722.25 1687.01 1850.68 6750.58 10256.35 823.84 23885.19 2138.95 1370.38 551.92 1110.43 577.84 301.83 2754.73 845.82 298.68 2246.75 808.52 770.61 1413.24 3567.57 901.34 3477.83 3308.16 3389.98 3362.79 3339.26 3421.85 3399.76 3336.43 3092.86 4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone 6311.75 418.22 1750.86 3778.21 7099.09 792.42 4223.37 2872.73 12224.74 2480.04 6315.17 3087 787.76 2226.44 10187.65 2644.01 3301.51 5001.61 6671.46 8303.96 10005.72 2570.53 359.98 7473.42 2789.26 4997.66 4649.24 773.81 10186.47 2562.23 6174.48 10442.58 8280.89 6130.79 4577.91 6467.15 7642.9 4167.91 2002.06 2488.8 7300.49 7061.2 3791.76 3261.31 6544.28 2403.62 4459.05 3123.57 4429.19 3198.95 4153.1 10383.13 4133.47 6618.91 3539.06 3095.97 2443.18 318.54 8567.03 6494.26 586.59 3253.6 6051.26 5929.62 5074.74 3393.42 14884.46 3503.18 3616.74 7320.81 3785.94 3212.99 2188.96 3084.55 2413.11 7327.67 7164.15 6725.49 8098.19 7190.61 7565.52 7116.08 8363.59 7838.64 N(alpha)-gamma-L-Glutamylhistamine 1335.33 4700.19 1917.16 2219.21 2241.32 3206.64 2786.15 4174.57 4961.75 2949.94 901.16 1795.6 658.33 540.65 5172.57 2682.03 568.59 1257.04 2555.8 5763.15 4107.55 4008.27 6791.18 1322.68 2748.5 4902.05 1909.77 2266.25 4692.32 1260.75 1952.36 1899.04 4269.33 904.56 1377.76 1165.25 3785.03 6391.51 2222.96 2000.9 3733.3 2877.22 2194.38 1138.58 2983.02 1184.69 4765.39 1550.42 1346.25 1359.36 1482.47 3352.94 1739.88 1145.86 2837.59 4487.31 1692.96 1578.43 3279.59 3417 867.25 2166.08 3525.64 2743.18 1061.34 3841.26 5828.15 1692.9 2098.03 4248.71 4442 3707.56 708.8 2717.73 2555.69 1144.09 2363.12 2264.73 2459.41 2269.6 2449.61 2293.67 2288.79 2769.08 Dihydrocapsiate 8442.87 2314.48 1375.17 2900.53 1333.25 3804.34 4460.27 3633.84 8509.92 5597.8 3150.18 5843.99 2052.7 9794.24 2134 1050.01 3569.55 5034.3 9777.22 8969.22 1455.65 5304.27 2153.16 604.17 1921.15 980.3 5454.52 7718.15 1217.23 5775.1 5812.01 10970.36 3247.06 4317.17 3185.14 4427.24 3098.87 5571.82 3795.09 2138.05 4144.2 15002.94 2688.32 3954.68 10345.02 10264.4 3420.02 2896.93 2917.95 11267.05 8638.29 6103.22 2018.76 4320.31 1467.66 3586.23 2786.74 1151.71 3226.25 2429.42 792.74 3543.58 4003.83 1995.52 1355.56 3596.63 5822.7 3769.95 2168.3 2636.63 4936.76 3044.89 614.63 1327.73 10000.57 5390.38 5388.74 5223.1 5399.64 4547 5226.65 5240.49 5277.51 5389.32 dTDP-beta-L-rhodinose 751.19 2757.36 818.95 2724.14 1679.51 1713.91 1089.52 4541.91 1267.22 2455.51 4933.63 2359.76 3850.49 3279.55 1374.69 2523.92 2070.61 654.42 3060.84 1270.29 1659.43 1888.31 3639.37 2653.37 2151.42 1014.25 1389.15 2692.92 1373.69 910.6 1069.17 2158.41 1278.35 3646.17 3241.23 1553.61 2214.66 1319.44 3343.59 3052.37 694.91 2012 2961.22 2397.35 1103.73 3007.63 767.66 2503.93 3184.05 1566.6 1921.37 2160.74 3624.53 4229.42 1632.37 2414.29 2795.85 2925.65 1457.63 1755.59 3077.68 2594.87 1403.01 3084.73 1162.3 2437.08 563.31 3642.2 3079.55 1784.36 1384.92 2886.27 2478.88 2562.68 2504.49 2140.28 2304.07 1815.86 2080.64 2145.07 2060.49 2147.36 2063.15 2054.21 2-Azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate 2814.96 1314.24 2626.99 1547.85 2537.6 1705.59 4653.01 1475.42 1170.4 645.26 1803.75 1377.03 7439.89 1054.41 649.16 1631.12 1437.35 1266.42 627.74 1217.12 1213.29 433.42 969.34 2321.21 728.92 1654.54 1253.3 979.18 1350.27 1794.71 463.56 2143.51 1050.24 1218.06 1895.1 937.87 1842.14 1822.59 2571.19 1039.04 1073.16 394.31 1687.7 1215.4 1319.21 3810.44 1090.11 1879.66 1059.77 3205.99 1362.28 672.86 1228.3 1830.25 1018.91 3186.71 1527.59 893.61 878.33 1373.38 1245.75 899.24 2006.67 518.13 1227.01 1341.55 483.51 1163.65 925.01 3612.76 1567.3 452.79 1816.64 1126.85 4242.76 924.8 1811.04 2303.37 1845.12 1803.81 1644.59 1678.35 1710.08 1874.3 alpha-Hydroxysalmeterol 1360.36 391.68 1313.9 3663.88 2023.18 7943.23 1894.06 1054.77 937.75 1659.67 830.12 1065.24 1704.49 1830.89 1800.53 1503.3 2667.64 2634.46 1148.25 2412.94 521.91 663.49 1463.24 1185.5 1280.73 1232.68 700.38 1563.65 1226.62 462.43 2311.6 1643.53 6966.98 4025.8 1912.44 1052.06 930.41 1951.79 1399.87 475.76 3329.22 2646.79 1473.74 1096.75 860.13 2780.1 683.47 1442.91 1970.25 1736.47 1643.36 644.21 891.02 2984.77 3702.03 631.95 455.19 432.61 1087.36 1427.16 469.33 1679.16 1025.91 640.16 391.9 939.55 5601.05 968.12 1437.83 916.65 506.41 4113.14 1366.42 1547.19 2273.75 2609.61 2960.1 2652.83 2085.19 2875.2 2661.83 2878.72 3166.3 2469.74 Grevillol 29169.83 46521.58 17994.54 83166.41 46822.67 67642.2 19965.35 27524.9 30818.95 12638.06 14664.02 24564.79 48484.56 919.09 40657.59 40458.91 26302.15 54468.24 53554.13 72231.79 30071.87 12390.14 7941.11 31268.66 33854.53 30450.43 16554.39 15923 47623.54 31136.76 64002.61 87847.97 12358.58 11674.04 20479.04 33226.14 20945.04 20007.98 8364.5 20161.88 91494.9 52945.51 23852.48 19171.31 56096.87 61319.81 44759.76 36505.21 15088.94 254618.16 11321.4 24986 21418.07 35228.42 17601.62 45325.81 64914.19 21800.52 17406.76 23153.51 45433.95 19418.36 29462.25 21840.97 19810.61 41734.82 253620.06 19937.95 32189.74 29484.86 21045.08 19857.64 17650.43 37549.34 25582.47 32168.27 31233.12 30722.65 31170.97 31231.39 31386.31 31385.25 31384.5 31158.4 PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 4086.97 7185.4 4569.41 6540.04 5428.66 6225.22 3498.19 2989.94 3704.95 4126.17 4192.84 8765.81 11532.11 7922.38 6250.98 2978.84 6689.14 10054.85 4164.71 5316.62 5326.39 4785.96 7915.88 2774.2 4279.61 8158.28 4769.34 6255.25 5482.09 8358.32 6476.17 16261.9 5266.11 7192.93 3390.19 5740.55 4849.72 10022.05 5311.09 5295.27 13934.24 15505.12 5970.51 5381.35 11847.14 8398.62 8237.76 8940.7 10334.66 29108.05 12006.11 14135.73 6978.91 12017.44 4865.04 9956.78 5762.96 4754.36 4438.94 4454.79 4220.68 3101 5827.12 4184.98 3498.14 8523.36 14458.32 5424.19 4468.87 3353.56 7327.55 4697.75 5032 12164.15 8658.46 9436.59 9726.51 9981.1 9579.68 9526.48 9756.69 9746.37 9712.21 9750.36 11-nitro-1-undecene 3317.71 2980.7 2645.82 2860.79 1339.14 1600.02 7513.65 3429.38 1779.88 5357.5 3666.11 2925.76 2694.13 4778.64 1244.66 3523.98 1694.75 3574.96 3768.37 1738.05 3955.52 2780.65 2423.4 3714.64 5524.79 2551.86 4410.6 5262.97 1233.04 5732.47 1491.04 2471.64 4296.56 3963.25 5398.56 3734.5 4704.5 4520.82 4218.8 4913.03 4082.78 2930.41 4185.74 5673.27 4916.57 5341.54 2163.67 5969.97 5011.1 2676.62 4772.28 6390.04 4480.06 2030.63 2831.38 5367.9 3349.64 6397.64 4276.96 4411.08 3698.27 6806.64 3416.55 5133.93 4283.02 5025.5 1067.49 6722.85 4398.82 4200.47 4088.52 5181.62 4143.94 2660.4 5335.66 3974.44 4005.99 3973.65 3973.65 3806.72 4034.94 3995.79 3767.69 3731.7 3-(4-Morpholino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-yl)phenol 28539.75 29947.92 10120.13 19175.54 44408.11 28604.4 25897.91 37275.83 28026.17 22102.02 19906.74 17166.06 12168.12 18941.36 30788.86 25636.4 16826.99 14980.75 17500.21 27602.46 20394.87 15365.01 8939.09 16584.84 33483.45 18793.36 35411.99 24322.53 37449.96 7447.49 13520.75 37857.64 19321.34 15303.92 21249.2 33236.39 32048.79 21983.14 14692.2 28271.98 21404.73 32078.72 31452.68 15748.45 28193.76 7437.08 31249.33 23330.95 16330.36 30995.77 26574.53 23945.55 21760.23 12607.25 13099.27 20637.89 17363.08 20402.18 24991.35 18342.13 18489.98 4504.4 25323.94 19027.73 17651.03 15851.53 11958.29 18274.85 23655.46 28973.77 27672.31 27301.95 9508.17 27862.82 15166.67 9547.84 16068.36 16304.46 15631.84 15386.6 15086.58 14264.48 18492.6 16401.57 PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 10410.32 4315.88 6293.54 2110.03 2766.63 555.7 2343.03 14512.65 4733.55 1947.53 2025.16 4676.28 6548.15 577.64 8666.89 2421.39 2425.4 1556.46 2705.5 5049.19 10699.65 1340.78 1610.41 2016.99 6519.68 2169.97 2664.86 3172.54 2031.84 2663.81 2218.27 8346.12 1764.49 1967.54 2186.41 11586.07 12660.53 535.95 1097.3 1027.54 6395.75 6989.28 1549.41 642.06 11729.8 1984.35 6557.82 4511.88 1597.54 1034.68 12356.26 2115.4 2515.22 1380.33 4151.67 2019.35 11359.87 1147.58 6141.46 2121.13 1302.58 1999.14 3102.77 2089.51 1634.44 18308.85 2651.92 2096.78 1914.76 21768.68 9374.91 867.09 3844.1 963.69 1639.11 5488.97 4546.02 3635.64 3077.81 3919.69 3791.22 4533.76 4463.44 4732.89 3-Oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4S)- 3715.76 7443.49 3286.35 2155.98 60771.46 46143.45 741.5 1367.06 1842.85 811.36 1568.86 1485.27 1234.81 904.81 8860.21 1383.36 535.78 14403.53 2172.05 18742.59 5847.02 827.99 810.95 1834.92 3204.28 636.44 866.02 2467.39 1394.94 616.54 3470.51 2401.85 3943.62 500.51 482.33 5923.75 1954.9 1969.75 1391.19 640.81 3189.11 6791.43 774.91 934.69 4608.32 1190.02 4213.67 5297.54 705.95 2290.29 1607.65 3064.67 1240.29 1135.51 7280.53 855.67 2202.07 1868.99 1349.85 4753.38 4497.44 4132.8 2291.85 588.05 1835.64 11775.35 542.01 1123.31 583.15 2248.8 1091.56 670.97 1523.66 491.97 3192.86 2304.36 2376.17 1982.58 2112.98 2104.05 2149.78 2328.45 1952.01 2207.64 [3-[Hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate 753.92 1341.05 7394.14 1305.72 4978.86 1410.86 3107.48 12851.75 8743.79 7339.13 6242.86 3670.98 935.49 5174.98 3863.36 4305.23 13280.24 392.3 13456.5 3376.49 15245.72 1135.27 16339.8 12772.15 4879.13 1130.68 2828.61 420.89 16054.04 4639 1095.93 15380.64 16015.88 18059.15 6911.51 20663.22 15108.22 4724.69 14461.42 8841.87 2070.69 17166.2 15369.38 7798.17 10481.82 9924.54 15324.25 24499.08 40607.45 30697.01 20307.31 13901.3 17760.24 19454.78 22537.29 10731.57 35879.25 7872.8 16990.63 868.76 16164.11 18897.52 14159.75 23750.33 13544.78 13681.5 6674.72 13631.36 9049.28 20406.63 14505.07 21706.49 18581.85 11286.03 20116.42 17786.22 18874.82 18351.58 17742.23 18313.03 17702.72 17761.14 16132.15 18091.05 5'-Deoxy-5-fluorocytidine 1018.35 1808.19 2958.49 826.13 3901.1 594.92 962.22 2583.71 1268.64 2550.83 925.03 2638.97 628.71 839.13 1248.69 1459.92 2138.26 3614.91 2765.69 2239.86 1885.77 1063.28 2711.35 2863.19 657.41 796.89 2428.2 2600.71 4400.36 1845.76 565.08 6786.78 2120.45 4590.38 3687.2 3096.56 2334.17 1447.55 2316.75 3121.63 3317.44 2999.98 3054.96 2365.73 2603.1 508.13 3413.11 2305.78 3699.36 2884.79 1849.94 1535.02 2096.78 3696.35 1452.56 2256.46 1705.84 889.03 1463.74 1922.63 2986.21 3466.73 2948.59 4232.73 2323.46 4226.84 1460.25 642.93 1698.4 2427.17 2440.21 1904.95 1839.89 3080.43 2497.97 2130.13 2288.59 2398.75 1784.37 2347.37 2426.86 2779.87 2170.18 2234.74 Tetrahydrogeranylgeranyl diphosphate 1251.63 3020.31 898.41 1531.95 1453 2425.66 1606.7 1301.06 1139.41 743.33 1203.4 1575.73 1663.44 521.78 1184.14 1199.28 1106.16 500.12 669.78 1077.84 1103.39 1976.89 859.38 1637.4 2451.95 2240.6 909.51 2397.27 429.45 2169.42 677.07 554.28 947.99 1179.22 985.14 1087.19 930.84 1602.23 435.73 638.73 865.65 1202.2 467.8 835.98 1247.38 545.73 672.04 616.24 643.32 429.61 1333.1 853.91 652.91 599.04 1224.28 731.7 831.83 1594.06 918.89 1134.45 998.64 1023.97 1292.74 1017.82 785.53 1074.68 1236.22 586 795.32 534.66 1081.12 1224.08 828.59 1208.99 1152.86 1032.73 1212.48 1294.82 1210.88 1400.63 1165.92 1305.5 1295.42 1328.57 2-Linoleoylglycerol-1,3-di-O-glucoside 31077.63 28407.12 15572.21 21259.89 39848.48 251447.72 98594.16 31885.75 35578 32328.76 14426.54 18942.76 22379.78 20841.17 25953.29 24717.04 16011.79 26331.68 30676.06 40408.69 26883.62 18710.12 16034.78 20051.11 30586.91 30541.55 28501.98 22375.15 51108.27 27763.27 34917.82 206386.6 17682.74 29494.37 19834.44 44366.88 30280.06 28126.27 20252.1 20634.99 51928.95 38867.38 16357.76 16845.05 39921.15 23989.44 45860.25 24695.52 22051.26 35632.7 22502.63 25348.35 15727.36 18994.85 21312.25 25569.39 16078.65 13364 23565.54 24156.28 17428.82 19453.75 21522.74 20058.17 13026.87 27610.5 36678.69 18728.24 20507.03 26039.19 26868.26 26368.9 18756.43 22011.73 24756.33 34036 34277.82 34042.85 35147.22 33781.83 33731.96 33684.38 33731.08 33723.11 [(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate 963.6 541.7 1024.65 1080.2 2034.22 4019.96 2456.65 4337.11 1061.18 4090.95 920.56 2347.59 1018.46 1947.61 4252.82 941.25 865.11 1387.36 1100.98 1954.07 2052.62 783.82 644.99 498.62 1610.28 2515.22 1302.67 1854.24 4398.79 1244.37 2937.73 1427.33 815.12 3956.35 1826.41 8823.1 1104.34 648.4 3225.74 1484.36 1712.5 1836.19 2383.51 1913.69 2901.44 3142.92 2490.92 1001.85 8159.43 4152.86 3063.85 3682.97 1668.56 2858.23 3394.79 2755.97 1533.69 1300.49 4024.85 2355.91 1207.37 2110.39 4484.32 2265.02 1190.35 3790.82 2827.56 2314.89 2233.56 3347.25 1743.82 4576.32 2740.23 2366.85 1822.65 3476.72 4268.24 3562.82 1360.78 3141.55 3694.79 2930.85 3135.77 3379.48 Chlorsulfuron 1236.63 1076.04 1064.26 4605.39 2090.69 2047.11 10791.06 2792.61 2719.84 2732.1 3368.72 3010.28 10656.17 3052.32 2612.34 4399.18 3801.08 3562.98 4400.6 889.8 1687.09 2778.81 4194.56 3637.25 2537.2 1451.49 2498.81 2263.87 2405.04 3949.75 1344.34 10032.74 956.35 7615.84 3832.95 1133.52 1931.73 1024.36 2974.66 6293.02 3346.37 2350.25 4223.78 3880.86 3464 9229.09 2229.84 3305.38 2827.48 3299.18 659.94 2459.11 5222.09 4492.58 4441.19 1809.6 10763.76 6652.03 1758.66 1732.99 2980.19 4208.76 1418.41 4141.37 2756.28 3145.73 2582.63 1460.5 672.76 1654.87 2863.72 3749.8 4714.77 5718.55 7252.98 2616.71 2432.41 2428.93 2423.7 1415.44 2197.79 2436.08 2445.83 2270.35 (E)-8-Methyl-6-nonenoate 2034.3 1907.72 2585.85 3027.43 2785.02 1495.45 4504.87 2715 818.91 2214.82 2896.92 1880.63 3017.03 2512.03 2736.52 2766.42 2047.15 2264.18 5569.68 2904.95 1178.47 2678.85 2033.99 1874.64 1433.11 1262.47 2189.21 3020.65 740.15 3627.04 2338.47 3468.48 1404.44 2892.85 2653.49 1911.28 504.6 2494.91 1104.46 4580.29 2109.3 2663.54 2973.75 2873.93 2382.95 2630.23 2204.7 4463.11 2146.54 1584.91 1875.27 1447.29 4231.6 4045.53 1858.97 2395.59 639.16 2342.28 2102.49 2357.15 2065.07 1604.75 1789.06 2861.21 2930.94 1906.23 2687.75 2248.26 1915.79 1068.31 2697.58 2304.66 6458.29 2211.33 1710.56 2486.18 2681.53 2552.11 2575.92 2596.06 2792.93 2577.4 2623.92 2697.77 N-Nonanoylglycine 944.59 698.66 956.41 1477.78 2176.35 2525.39 2302.22 1274.18 1488.36 1347.35 1011.15 1019.38 1232.4 1435.47 885.13 1357.13 483.91 660.89 1540.12 1507.84 852.53 1277.84 860.3 750.11 742.22 585.68 1099.4 1059.31 397.74 2000.35 853.28 1892.63 1148.17 1761.05 1566.82 1225.91 1539.4 1466.97 1040.22 1408.37 1290.89 1574 1348.11 1166.77 1303.74 1834.62 1422.19 1200.8 1482.98 1417.7 1404.72 1188.07 1288.31 1654.35 1362.23 966.73 935.66 1359.83 1997.18 1230.57 1231.44 1976.85 977.82 1222.5 434.43 1651.96 1484.34 1032.22 1224.39 1662.54 1795.31 1337.84 1315.59 1823.84 1918.72 1917.6 1917.38 1925.76 1928.1 1891.29 1887.98 1895.34 1953.62 1867.69 N-Nitrosodiethanolamine 8691.74 17475.66 41506.92 23299.3 4334.77 677.64 20798.9 9252.6 9784.21 11585.04 19719.94 8130.38 25181.76 14114.17 6722.77 20012.8 33324.3 9760.3 12636.91 5784.66 6859.07 15534.93 1639.77 3585.26 4725.19 7269.24 6639.23 4169.05 8244.19 2993.62 6219.24 16091.45 7160.95 3259.53 31769.26 10730.27 12294.29 12374.2 9405.69 29935.58 8455.56 4657.78 40780.62 31839.4 7490.62 31125.86 6799.04 6635.9 1599.35 6701.81 3427.28 12988.35 2622.96 27090.98 27013.89 18250.97 139328.59 84272.33 7084.2 20308.77 13027.18 25233.14 12272.51 59848.1 15360.99 13362.51 565.25 14063.62 17922.16 11795.6 8008.85 37249.51 25577.55 53735.67 42417.7 14375.18 13207.65 12944.49 14121.45 13070.62 14754.47 14949.52 14944.56 14998.38 4-hydroxy-N,N-dimethylbenzenecarbothioamide 4575.29 3240.18 4926.56 4590.87 3455.02 2547.03 6771.87 1536.59 6461.65 2387.17 3041.53 2669.13 2823.3 3319.02 3048.35 4366.73 4599.76 2298.3 3469.22 3306.51 4229.78 2724.69 2287.18 4210.45 5237.88 3234.5 3541.06 4470.68 3657.18 3006.93 3083.77 3355.97 3103.1 3431.16 4591.13 2379.34 3378.46 3483.66 2884.06 3328.3 3053.65 3906.69 3866.21 3540.19 2744.04 3144.94 3040.28 2749.28 3050.41 3052.6 4448.53 3538.17 4513.73 3013.96 3243.91 3165.63 3700.95 3739.07 3466 2549.69 2654.1 2736.16 3571.24 4369.13 3554.12 4159.94 3375 3339.43 3261.17 2635.97 3604.44 3397.03 4724.78 3192.35 4097.72 4231.99 4220.14 4243.46 4502.65 4210.27 5212.6 4547.98 4548.15 4494.13 Suillusin 598.41 2244.49 2655.42 2421.51 676.8 1482.12 3012.06 724.69 943.88 2990.71 1609.71 913.09 2269.91 2754.68 1908.87 1741.33 2236.89 901.1 650.84 1187.54 1214 1618.72 1116.27 2506.31 2361.1 1170.05 3619.53 2943.4 1645.43 1475.96 574.14 1939.44 1343.05 1875.68 2250.12 2229.76 954.37 2110.31 2973.66 2479.64 1018.97 1639.27 2996.7 2524.92 1001.09 2013.08 1171.84 1885.85 723.55 1888.68 1265.96 1701.87 776.77 2660.95 970.43 2587.26 929.78 1955.19 1034.04 642.07 2844 3335.54 1103.64 1817.88 2205.48 723.05 944.31 3215.3 2474.35 651.82 1183.03 1370.34 1556.66 2405.03 2685.07 1523.52 1505.91 1469.56 1533.29 1471.7 1535.51 1581.31 1526.17 1470.66 (±)-2-Propylthiazolidine 918.29 1703.99 2162.36 2752.45 2945.07 1588.35 5574.54 2659.16 1545.56 1789.25 451.93 3924.18 2066.42 1494.44 1303.81 651.28 1721.74 2283.36 2948.49 814.13 1449.42 847.97 2052.75 1864.41 1833.69 952.18 2380.12 1970.76 1466.54 524.25 1377.35 2391.51 704.33 2671.18 2317.34 2340.58 1839.41 897.9 1598.36 2176.36 725.45 1536.47 1498.39 596.71 2434.93 5620.21 5788.12 3008.8 2723.32 2149.77 4055.08 1594.35 2662.58 5303.1 1933.58 1818 1855.66 2519 1490.08 4426.6 1166.41 1140.52 2828.92 3944.85 1614.12 2239.06 1991.52 1108.16 712.42 1616.92 1605.51 1285.58 2337.62 3212.3 2686.42 2405.38 2393.87 2422.22 2395.36 2394.31 2513.88 2403.41 2428.97 2327.95 Carnitine C17:1:DC 5149.52 2313.12 4259.65 3982.47 1288.96 3247.97 5815.01 5760.1 6897.9 4961.11 5401.12 1361.17 1260.49 753.1 1279 2805.94 4561.15 3092.02 879.02 413.66 2408.03 1672.79 3226.48 3823.42 1354.4 909.67 1727.73 1897.7 2082.91 4131.16 3641.27 2933.7 2819.4 3398.28 4336.44 1090.42 1138.71 2333.9 3087.86 4173.41 2046.76 2401.27 4600.96 3928.99 6617.39 2726.8 3051.06 1965.19 3472.81 1317.8 1541.05 3485.61 4902.82 2371.62 2697.27 5263.43 2582.68 6450.67 1627.49 4014.85 4084.93 1596.88 4537.49 2801.84 3445.56 3468.11 7350.22 2044.34 2873.78 1856.61 4957.92 2899.1 2998.34 2464.59 948.74 4455.83 4317.73 4635.82 4083.18 4294.89 4094.57 4131.96 5108.74 4413.31 (6S)-6-[[(4R)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoic acid 1461.2 1141.24 1430.35 936.43 1674.21 3981.16 1415.68 1036.12 1404.02 1215.16 1451.51 2323.81 6536.56 824.09 892.96 1993.76 468.79 714.4 1154.71 1134.39 1490.93 2623.13 1466.8 1275.67 520.39 1188.3 1421.18 1325.21 2130.63 599.55 904.9 1092.12 627.19 2370.26 1631.86 1258.54 649.25 1245.59 555.81 1037.07 782.58 689.71 2126.89 1106.7 796.55 684.14 1126.56 1514.77 977.18 1766.92 769.45 984.18 2073.4 1666.24 1187.53 1481.98 1636.22 1847.62 649.34 896.56 1251.15 1784.88 1192.57 602.35 1239.27 1605.91 635.21 1103.11 1739.72 929.11 1970.85 1899.36 1481.4 2038.22 2971.32 1294.92 1364.11 1456.03 1260.31 1094.71 1280.3 1268.6 1278.16 1380.52 Cys-Trp-His 589.09 2533.53 1075.31 1652.18 1714.68 2122.45 791.25 1901.27 1361.87 1614.07 1246.09 749.43 2464.16 1198.27 1502.37 1751 2190.57 1078.47 936.52 1872.16 700.08 1139.01 1024.31 985.19 589.82 2669.64 1997.38 1752.73 1922.44 2884.41 2179.77 1894.43 2148.59 1952.59 1756.5 1330.46 1553.51 2265.27 2017.23 2388.19 2843.18 2721.74 1647.57 2286.8 1764.6 1568.8 787.38 2016.75 1946.04 1241.86 1823.99 1984.01 2014.07 1071.89 1683.39 1417.09 2158.04 1784.97 3495.02 920.12 2610.29 3910.32 1119.35 2177.09 1673.55 1307.33 3403.62 2495.62 1828.91 1683.57 2276.09 2225.48 2556.71 2370.88 690.24 2160.74 2092.81 2216.35 2124.44 2208.58 2155.27 1697.22 2074.99 2328.32 gibberellin A38 2018.92 2362.44 1585.23 2419.23 1508.71 7563.98 612.95 4030.54 4924.19 8156.98 729.15 3592.26 533.86 1996.65 2415.09 2456.75 1339.9 986.94 1643.78 3755.71 3962.42 23880.19 594.57 537.98 7014.5 1054.92 2654.83 2208.37 1973.11 2317.36 5603.16 8994.06 2328.63 3489.27 2603.68 2885.01 3008.61 2797.14 3883.69 2314.25 1688.12 3578.49 1948.21 1134.01 4543.73 2055.59 878.18 1361.91 1333.38 4574.25 3414.66 3037.26 733.49 3085.06 1928.52 1840.04 1109.51 1974.17 3322.78 2315.08 1884.32 1988.56 2229.77 3191.09 1767.85 1516.49 1018.5 2074.22 2215.28 4520.26 5314.33 16090.34 1998.92 2128.66 2109.61 2208.39 2057.19 2138.4 2062.72 2059.2 2158.48 2171.09 2160.34 2147.05 trans-4-Methoxy-4'-(methylthio)chalcone 1918.6 23318.55 1954.35 3325.08 5715.9 2583.36 5345.8 4565.09 2149.89 7681.05 4587.51 4310.16 6128.1 3440.66 2190.36 4883.74 3775.97 3093.8 2713.4 3315.81 2463.01 7590.55 3356.7 5170.66 2349.22 3951.01 1803.86 4299.66 4348.2 2839.76 3228.88 2243.21 3152.61 5351.85 2769.04 4713.1 2251.97 5602.9 2404.1 3776.45 1903.33 3066.25 4773.77 3114.79 1962.19 4242.58 2041.07 11851.47 3272.17 16539.71 2380.25 9266.94 4765.04 5841.54 923.55 4742.44 857.62 3129.52 2625.39 2685.9 5926.15 4662.35 760.36 7349.06 2762.22 4031.26 728.97 3024.42 15081.74 787.46 968.67 11717.95 11348.59 4308.71 5707.5 3332.57 4393.58 3345.26 3752.1 3546.39 3947.65 3752.33 3100.39 3859.25 2-Hydroxy-3-morpholinopropane-1-sulfonic acid 4725.98 1093.51 670.42 1340.21 1986.73 848 437.23 3032.8 3620.39 455.02 655 1153.93 583.51 1063.49 2016.41 693.74 784.87 1117.55 673.06 2992.85 1020.04 18460.72 599.26 2293.3 2840.12 1443.35 1264.58 1565.84 2533.55 2786.41 3506.3 2570.58 808.92 835.14 710.18 2957.3 2360.03 691.92 1060.48 1139.31 678.31 2600.88 711.52 2387.01 399.84 752.06 2417.29 955.45 424.68 1530.56 512.39 428.62 874.45 720.72 1623.79 641.76 10551.23 426.33 1472.92 442.7 387.34 5711.9 1010.46 1065.74 593.17 911.24 496.48 852.66 1503.19 938.89 766.02 445.23 620.75 399.64 855.65 1029.4 1182.07 1185.27 894.88 1041.47 1089.31 1021.02 1371.05 1194.05 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione 14777.88 19967.88 5033.07 9622.28 2560.53 14823.18 10025.73 8681.45 8836.22 3116.74 1371.54 2426.64 2948.85 1134.43 3499.32 6161.05 4128.03 4810.11 15244.01 16407.79 15818.55 12332.39 4938.69 4173.43 14243.58 22013.61 970.65 5257.25 1285.82 958.45 8073.39 5837.91 6739.55 6950.39 3150.56 1761.95 5906.45 16530.34 3906.72 2132.18 8384.02 19626 6132.67 3519.47 3939.15 9082.62 499.63 3511.26 2618.2 6466.55 5515.34 9371.21 6089.95 9322.4 3630.67 14545.34 499.88 1956.35 9476.67 15479.11 2882.48 2503.63 6267.44 9116.31 3827.42 10343.77 25363.31 4178.29 5382.75 18056.88 16845.69 7032.07 2363.47 3646.93 1386 3926.89 5659.63 4666.56 7321 7019.08 7532.09 8604.9 6534.01 6218.86 p-Hpea-eda 11165.95 6889.99 2954.6 2901.85 2626.56 6176.8 1297.35 15756.21 16743.65 8895.58 5060.32 5828.95 4746.54 3769.26 12526.39 8228.9 2369.33 3843.89 3849.42 8994.67 11220.48 5157.17 4991.05 4751.49 20108.29 16252.38 6392.33 9465.13 18291.11 2512.25 8359.82 10829.83 8196.63 8245.92 5592.67 11038.58 9967.62 7298.45 5729.94 5545.96 4664.52 19303.3 4814.35 2862.79 15718.86 1705.91 7586.35 6096.25 3769.68 3379.77 7038.22 8661.92 7018.39 2089.17 9438.08 9356.76 1286.74 3523.12 10203.79 2261.03 1458.21 1983.34 6429.34 5380.22 3614.59 11600.1 6752.05 4787 4142.52 11639.71 9746.25 7241.29 7501.26 4792.86 3467.87 6957.8 7262.44 6474.1 7051.89 7237.67 6963.96 6996.37 7083.65 7621.01 [(3aR,4R,6E,10Z,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate 19721.42 21601.52 7675.75 3658.06 2729.87 11288.79 14449.24 12350.4 32230.06 5812.33 6474.54 2452.1 10319.64 9476.56 23243.83 4169.41 9511.2 19131.65 21155.44 32656 12100.99 34409.7 6621.03 8214.92 10618.19 25328.35 2078.58 942.64 24548.39 1186.86 21666.07 25717.99 15022.97 7526.03 8989.55 26284.86 24926.29 17716.23 6608.47 10290.11 21527.39 25708.41 21713.13 4236.3 24484.8 16692.42 23557.71 13314.95 6756.39 22349.85 17233.07 21252.2 8828.14 14025.69 12258.45 27802.64 8392.92 15456.24 22498.1 22130.11 5202.84 4666.52 20671.6 8505.4 7100.23 16981.35 30525.3 6676.37 11923.71 9348.88 19924.1 13910 14882.48 7394.13 12364.44 12665.03 13276.59 12719.62 13259.08 12597.13 7428.83 12279.78 13305.91 13310.09 Lys-Trp-Cys 3447.69 3734.88 4315.68 2647.84 6849.07 3535.87 3395.72 5806.46 1949.92 5865.67 2956.41 802.42 3197.5 4676.4 2231.29 4925.65 1056.54 2430.83 1252.86 3686.83 6291.17 952.21 3386.82 2526.16 828.85 2788.41 2506.13 1482.86 5702.97 6552.36 2429.28 2864.21 5456.25 5334.6 3837.14 4219.95 6320.48 4010.12 4484.69 2277.47 5985.99 2146.54 4264.39 3459.66 3118.2 1721.93 5531.72 4268.76 2885.23 642.54 3764.97 2357.93 4340.09 4825.58 4266.96 3038.93 6893.4 3282.2 6469.1 6346.56 4768.92 2402.66 5360 4809.02 1861.09 2771.4 714.56 3302.12 4329.56 3704.05 2859.42 4011.23 4352.7 2488.13 3466.23 3791.45 3743.24 3785.88 4022.31 3772.4 4211.51 3812.97 3942.11 3741.58 Lupinate 8421.25 23932.89 11051.77 10364.4 14643.08 31539.86 12832.33 16432.76 24532.74 19741.01 7152.1 2749.88 7308.92 7510.49 21656.35 15335.92 16628.31 23484.16 5421.27 12502.7 9118.32 9139.2 11703.86 2334.7 3000.17 31140.48 571.92 6945.61 18281.91 3455.96 32893.64 2797.81 16870.9 8213.03 15493.47 14921.34 21766.65 13221.89 11782.23 13913.85 25687.67 25869.49 23007.61 16328.84 12656.34 4047.38 6573.99 19225.43 6626.54 6446.7 17969.35 23913.78 16406.23 3959.95 10670.07 26983.2 10760.24 11610.38 21267.58 12061.58 7869.42 8142.22 11102.87 15184.95 17489.2 17124.64 5095.24 3110.39 5050.45 26475.75 26575.59 21415.69 8751.05 10515.53 8489.76 12878.72 11864.89 12088.82 12713.34 11587.89 13793.79 10538.79 12752.26 12050.11 (5Z,7E)-(1S,3R,24S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol 2208.85 1332.28 1251.47 2646.07 1561.76 6912.57 10859.52 3409.34 3894.64 2014.72 2814.98 4673.83 2520.01 760.11 1598.94 1614.34 5935.44 5223.16 12194.89 3373.67 4548.43 5648.74 27221.66 5746.32 15970.52 1487.93 11338.83 1316.84 1034.57 3765.43 2848.08 1585.87 1503.84 7658.07 4061.63 3850.16 4215.01 1762.11 3452.91 1267.34 15474.25 12239.61 3950.34 4512.62 4135.4 13888.35 3138.72 3846.44 2471.13 10411.93 5517.33 4659.92 1807.37 7121.36 3394.55 5289.92 5810.75 4521.43 3685.57 18325.13 1243.68 5496.69 2096.87 4185.05 3208.37 10109.13 2555 3729.55 2924.87 2837.09 4242.47 5887.93 3011.54 1796.46 5486.35 6236.23 5863.07 6230.85 5953.11 6348.64 5865.73 5857.45 5944.7 5481.7 PS(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 11104.16 3130.73 2683.11 1892.66 3486.22 6325.49 1213.06 2246.85 1551.3 2315.68 8506.67 2318.15 1711.53 4302.71 3836.93 12902.32 2675.95 3837.39 3754.82 13041.27 1686.15 3283.46 9252.74 10450.53 2328.48 3690.35 2064.68 2243.32 3050.03 3883.67 2475.09 6117.3 5168.1 3030.09 1551.36 2093.9 1942.47 3935.45 1927.4 1853.57 6396.69 7107.47 2432.7 2016.63 5605.26 3697.65 3718.29 4157.18 2125.42 14871.84 6329.15 6119.44 1701.22 5328.25 1149.26 4263.34 1699.71 1397.7 1643.67 1515.38 1408.33 722.78 2430.63 1600.51 1128.62 3185.94 6318.54 1292.35 1362.81 1206.4 2845.68 1212.66 2028.94 4805.26 3551.93 3658.07 4361.63 4436.59 4379.71 4394.39 4153.65 4383.25 4326.3 4231.78 [(Z)-[7-methylsulfinyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylheptylidene]amino] sulfate 1519.02 11812.84 6479.29 2424.32 5017.72 1255.13 1125.12 3730.24 1186.89 5018.41 15039.71 4760.86 10234.43 4583.5 1069.94 1259.77 1201.68 2963.9 5481.4 1673.06 3721.45 707.41 5420.99 3992.31 6567.62 5080.46 5492.73 2207.21 3149.16 6484.08 2783.98 2384.86 889.99 5724.08 1049.56 9262.43 2628.04 1679.64 5320.61 9649.22 4287.32 1823.84 2053.21 1380.73 1704.82 2549.92 2874.49 4047.67 4436.91 1365.06 737.41 1389.51 3464.04 966.14 4161.61 2898.89 6975.53 5199.72 855.03 834 4059.13 6146.78 1597.62 2297.43 742.67 4688.35 4573 5522.4 10625.02 2005.75 1638.98 1180.21 1265.91 1542.05 1149.23 1850.24 1939.83 1969.02 1868.08 1847.85 1705.79 1648.56 1930.67 2330.94 Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate 7438.68 8752.11 6382.35 2005.41 25726.36 7436.53 3184.08 11693.1 9670.97 7752.17 2885.93 2179.5 6781.39 5049.94 6193.22 4529.55 3120.11 2541.27 7157.15 4292.8 1386.04 1353.12 901.19 3734.58 6459.25 1361.71 10201.53 1928.53 8069.66 1924.26 1240.22 9660.64 8770.07 530.31 7249.65 4386.02 4423.88 3669.94 1391.97 7375.7 5464.06 9531.57 5778.92 4501.69 1774.7 1179.79 4172.54 4350.55 3480.01 5648.43 7801.29 812.27 2501.57 3246.15 1239.49 12189.52 8013.86 1599.24 3719.21 1331.55 1719.48 5236.67 7705.64 8613.48 6106.12 2801.38 1359.37 524.88 8020.01 6092.8 5687.33 1467.7 2716.79 1585.37 7849.99 5470.56 3894.16 4260.06 4291.99 4054.83 4115.56 4026.21 1919.68 3864.9 3,4,5-trihydroxy-6-[4-[(E)-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-enoyl]phenoxy]oxane-2-carboxylic acid 1753.12 2392.35 1529.86 4125.92 2115.48 3096.32 1529.43 1729.1 2198.96 2124.15 2173.96 2055.63 2590.15 2364.32 2919.24 622.68 1597.74 1730.24 283.43 2909.85 2202.2 4469.54 2201.13 3627.65 3227.35 5622.83 2105.68 300.33 1123.35 402.3 6206.51 939.29 3895.85 1253.84 6084.43 2762.13 489.31 6571.63 3172.75 4102.23 1755.42 6376.98 1176.61 2270.73 6381.63 2163.47 512.85 455.08 5017.21 2974.57 772.46 4649.73 3214.39 3006.96 2494.44 3900.79 1521.87 2398.57 7528.7 6874.69 2390.7 1300.48 3463.25 2704.84 3308.47 1066.72 6108.78 321.92 1174.87 971.73 1349.82 3374.51 1487.69 1194.2 2366.88 3671.73 4249.68 4152.59 2349.39 4079.64 4099 4126.51 4269.42 2718.8 Limocitrin 3-rutinoside 4591.63 3616.46 1479.34 921.64 9248.37 888.65 2224.31 7058.96 3916 1239.65 843.88 4200.02 1249.66 2655.75 4283.81 1152.67 470.24 7964.63 3569.14 4656.78 2808.8 472.32 1781.78 558.37 8058.62 1284.46 1873.13 4647.88 6841.91 7602.64 7706.72 4970.46 403.27 1247.15 1692.42 4477.53 10132.98 1131.74 2549.85 4415.26 3016.01 3248.58 2597.45 1201.23 6302.84 551.11 10662.99 2750.32 5540.84 7372.37 3841.32 3985.18 1141.58 815.64 3679.07 1489.67 569.58 698.08 6977.65 682.3 1319.38 885.57 2545.78 2736.34 2083.18 4723.98 993.7 3283.33 6511.89 4057.2 3061.61 5479.58 6005.17 1149.72 2028.14 5132.19 5593.87 5349.72 5097.26 5342.75 4708.55 5117.17 5080.2 5648.89 Avermectin A2b aglycone 1137.7 1254.49 2359.39 827.42 1828.89 446.38 2054.62 2017.94 1703.65 1452.51 1634.75 697.14 1197.29 919.2 1053.93 1490.14 1933.39 1404.19 1098.47 605.25 3293.98 1347.69 679.55 1049.16 3315.24 877.29 669.36 1614.42 2860.79 883.25 865.34 1089.65 2715.46 1557.42 1271.59 1963.87 2316.09 2384.25 3272.4 1624.25 2443.48 2668.43 1148.91 1505.92 1879.92 2228.78 754.17 2916.39 1724.32 2133.03 1301 1173.74 1442.87 2630.33 1782.21 1891.08 3378.99 3153.07 1973.79 2919.79 752.62 1304.21 1793.07 2385.75 3278.15 1967.96 2049.19 2481.8 2566.39 2471.14 3187.88 1825.8 4600.26 1385.65 2529.31 2038.48 1916.85 1819.03 1909.52 2033.23 1983.21 1961.77 1299.24 2041.19 28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinoside 517 362.47 658.56 331.78 1252.12 2460.78 2680.76 931.87 994.54 316.97 320.29 1174.32 696.51 749.9 570.25 500.6 7932.15 725.54 557.53 321.92 1872.51 9406.74 506.06 8104.24 696.53 1955.97 468.24 420.99 501.53 363.63 8639.39 2449.85 348.03 2227.15 1081.12 1807.37 1577.98 620.56 1707.06 466.52 4758.01 3864.59 1433.8 316.83 2733.7 1613.49 1896.24 629.43 516.46 2647.44 2311.36 1514.27 1391.02 1626.94 497.97 1611.91 826.91 609.93 1581.23 1425.8 887.78 1077.24 1912.83 784 442.37 1608.13 2912.21 1255.75 956.89 986.82 1423.16 2103.48 839.6 1309.84 1293.11 2235.58 2230.84 2317.09 2266.19 2624.96 2314.54 2277.33 1884.87 2264.15 Met-Trp-Met 1065.22 18078.54 3351.83 5758.43 3395.19 698.59 1021.57 9275.73 15620.52 9695.36 7559.73 2699.95 3240.03 2096.79 6013.13 2899.03 7540.34 1417.64 9773.63 20726.46 6873.39 4080.06 1209.45 7963.26 8597.74 7156.09 1831.04 5340.27 5477.24 2882.78 15612.71 13944.35 3507.92 6374.19 2769.98 3781.04 8696.78 6238.5 3287.26 5410.51 14549.55 15118.25 4919.51 4540.96 492.88 5178.05 6856.81 9904.31 4367.54 10620.04 5328.52 6419.17 8495.7 6492.09 8677.36 7971.02 3542.25 3560.07 3654.42 5060.82 3863.8 3364.49 12988.73 2726.08 10297.68 4584.83 8946.47 5382.18 6214.67 13831.52 17063.73 7923.8 6322.63 5593.74 6256.79 7721.13 7661.77 7563.29 7815.26 7139.01 7259.37 8269.42 5516.93 7260.02 1-Hexanoyl-sn-glycero-3-phosphocholine 5715.4 2350.08 2864 11369.89 719.93 3776.85 2823.68 1592.06 2657.28 3879.4 1218.11 18571.74 4028.14 1970.11 3766.45 5992.11 4960.23 3954.82 9768.76 9544.79 6759.09 3362.95 5587.15 5849.76 4268.69 17653.52 568.49 4433.25 13594.89 2079.86 563.83 10119.25 3180.91 10914.64 3055.66 1972.23 573.65 4308.61 6705.24 10580.23 1128.08 3355.25 10482.69 6877 1485.19 15489.42 1543.74 4844.29 962.22 7750.89 4205.85 820.32 1266.5 1475.92 1872.39 5676.27 3480.49 2650.52 1205.31 15902.65 726.94 6777.29 2837.41 12366.93 1749.86 1648.51 4020.28 3958.39 4642.64 3100.19 3904.55 4204.85 678.01 12293.87 1749.35 3357.75 3832.19 3960.46 3675.38 3253.52 1082.69 4683.54 3309.43 3222.39 Dictyoquinazol A 3307.98 2383.18 1229.77 905.86 7213.31 1472.7 1469.65 2310.26 1181.37 1449.74 1411.83 1757.71 2641.82 990.65 3635.34 2558.47 691.47 1159.12 4904.57 1353.35 2402.16 1828.36 3118.54 1270.65 3949.43 1717.53 1742.98 3066.61 10009.53 2176.65 2806.55 5841.2 3060.28 3034.26 2428.03 813.57 1413.8 1947.54 4130.54 1734.74 1856.48 916.18 1402.98 1927.33 3591.37 580.19 3392.35 4486.69 3368.49 3625.78 1075.11 740.39 1747.89 1095.31 3383.58 1755.52 1099.92 678.81 1211.44 2455.98 2144.16 2617.93 1129.84 1281.28 2365.31 6212.19 2258.49 1832.69 2608.86 2037.32 2099.08 2717.21 1700.62 1660.84 1848.99 2005.75 1855.66 2048.66 1877.6 1807.74 1967.6 2006.83 2010.27 1595.9 Febarbamate 10149.19 842.74 637.35 408.76 867.31 5364.77 462.37 8551.88 9632.46 678.86 527.34 8284.11 1590.87 806.68 4162.83 1309.73 5759.14 1337.06 1559.17 1923.51 7936.69 773.23 1479.72 2242.9 12793.1 7287.55 2843.19 951.7 7360.29 17055.84 10187.2 4410.81 1891.44 3102.24 1855 3924.19 6914.07 970.45 2268.45 8192.86 9232.67 11782.17 2122.4 1952.97 3156.15 1167.69 4412.82 4459.49 827.95 5832.53 9775.26 2114.49 458.81 2130.56 5070.49 3072.52 997.59 944.21 4597.9 935.92 3073.91 665.36 1943.98 1510.44 1856.77 6718.43 2292.24 2204.92 2483.09 6808.96 10780.89 6194.98 5011.62 582.37 2144.08 3958.48 4163.84 4058.49 3964.93 3964.9 4050.08 4077.97 3604.33 4018.63 5-amino-N-(4-bromophenyl)-2-fluorobenzene-1-sulfonamide 2469.69 1612.89 2858.36 1762.57 2966.61 2465.43 3818.45 2946.42 3981.08 4705.38 3626.51 2283.37 1417.85 3280.34 1708.13 1854.93 1627.48 2436.11 2726.25 1273.21 3540.6 1490.5 4829.56 5807.53 2491.27 2793.37 2626.66 4123.52 2065.68 2317.42 936.05 2565.42 2048.6 3266.35 2569.8 3495.29 4848.74 3649.05 3601.44 4122.83 4549.78 2473.87 4085.31 3585.46 3515.89 4189.15 2852.17 2914.93 3696.47 2804.89 4355.13 3581.56 3518.31 3208.45 3926.37 3186.34 2512.83 3091.65 2343.92 3259.21 3501.71 3339.71 4903.89 2917.6 3103.9 3346.13 2749.33 3597.02 1970.99 3875.44 3440.22 2738.63 4107.73 2732.4 3362.09 3044.2 2919.17 2539.34 2804.23 2918.61 2922.73 2784.34 2865.78 3302.01 (Z,Z)-4-((1-Oxo-9,12-octadecadienyl)amino)butanoic acid 1146.88 3549.53 1519.58 4514.26 675.03 611.71 5098.86 4095.46 1847.47 2957.04 4568.25 2149.49 4532.76 2023.66 1772.06 6670.76 1461.97 2762.49 4044.47 761.13 4795.34 1697.93 2398.66 588.43 1239.25 3592 581.76 1254.8 1444.21 2756.49 2117.69 1382.05 3579.1 1543.78 4412.49 1426.71 1355.6 1175.12 709.49 1221.29 1429.01 726.58 4723.46 2809.15 745.58 12316.13 3438.08 1112.02 851.5 3340.3 625.65 1396.42 1108.96 3559.39 1324.15 2721 462.27 640.99 867.99 2156.96 3083.73 1733.99 723.31 4339.57 1013.58 2223.7 1148.74 2239.61 1293.93 4227.46 1438.13 3214.94 2665.45 812.22 1466.29 2593.27 1936.19 2552.45 2554.97 2539.42 2115.81 2815.34 2592.55 2370.62 Cucurbitoside D 1335.04 5413.02 2831.93 2773.32 1901.38 8068.71 609.03 6584.77 4755.71 2585.49 1511.43 1511.34 3243.38 2323.58 2425.63 5115.51 1879.4 4819.59 540.82 4795.73 3058.94 3558.95 2577.96 1321.33 478.36 5698.2 1904.17 2614.24 1499.81 3147.3 2813.02 1483.95 3289.93 2527.44 623.23 1938.96 2792.31 7253.83 1730.81 1058.72 5346.32 7426.56 4369.98 2352.25 6370.45 506.28 8331.13 1391.46 4153.95 7304.14 5439.61 2987.69 1870.79 541.55 3669.5 8263.64 2420.75 1457.18 6075.12 2945.98 2212.6 1451.97 7519.64 2073.56 2755.37 5034.22 5439.46 1655.31 2217.28 591.04 4010.75 2317.09 2744.07 3748.63 3717.8 4591.28 5202.61 4917.26 4890.8 5040.74 1108.96 4016.8 4333.99 4715.9 (31R)-8-ethyl-12-methylbacteriochlorophyll e 567.87 626.25 792.61 1476.91 1359.92 797.68 425.83 882.97 363.18 530.22 867.74 841.19 525.58 1678.11 598.68 790.39 1187.35 922.34 764.31 670.1 723.24 863.27 587.11 334.44 670.51 584.16 414.03 322.7 458.65 386.71 859.02 756.29 666.53 1183.41 715.81 567.46 388.23 357.06 935.23 891.65 905.89 521.86 973.68 1000.22 899.63 958.42 395.95 656.85 1134.98 640.42 934.29 733.17 838.68 465.95 1349.04 381.88 738.25 641.77 629.59 789.41 668.69 396.46 634.75 392.45 703.39 1027.02 864.68 420.57 1550.64 388.23 479.36 980.94 1110.02 837.46 1096.35 1209.01 1233.12 1229.67 906.9 1136.65 1266.85 1147.34 1064.1 1243.96 N-[4-(3-acetamidopropylamino)butyl]acetamide 2156.78 2121.41 1907.07 2472.16 5295.31 6667.96 2809.36 1314.2 2174.17 1671.45 1404.69 2200.55 4871.11 4546.44 2382.82 2677.42 1293.91 2420.45 2280.65 1961.19 834.55 1238.12 1264.38 3262.31 2275.35 2856.46 1663.32 2147.11 2164.97 2203.63 991.6 1739.46 2356.34 4125.06 2281.34 1949.39 2765.19 1691.49 3157.58 2584.74 2995.51 3940.43 3093.52 3887.03 1537.42 2743.61 1663.93 4752.61 2128.35 4529.69 1997.32 2373.66 4354.19 3586.42 3490.35 3192.54 4103.65 3210.78 1352.39 1228.34 2510.83 1562.93 3574.42 2323.56 1012.89 5160.97 1484.19 4062.4 2887.37 1823.32 1433.24 2656.53 3490.35 4289.41 3694.23 2961.37 2949.62 2864.68 2953.79 2938.92 2945.38 2902.28 2904.67 2985.97 3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine 3740.96 23939.44 2984.01 1807.61 16138.81 17750.52 4427.13 20550.17 23643.44 9221.37 10058.7 5565.37 2858.41 1019.22 8699.84 9352.74 3205.79 16642.38 5126.77 29747.31 19370.93 9269.26 1949.88 10357.66 21808.41 28258.23 2421.88 2548.17 10628.15 442.63 15540.02 14280.18 16390.41 7963.01 3012.82 13401.84 24687.41 14954.61 2059.77 6445.64 18395.7 22967.65 8216.69 6345.32 7284.89 11946.43 17009.22 12638.2 3760.49 6752.38 14980.27 20843.51 8545.84 6794.08 12684.36 20752.56 3307.3 4486.31 25195.36 5512.26 4318.46 5252.48 10725.55 6945.71 10184.09 8420.76 25113.9 2794.57 1316.77 16231.64 20261.18 13393.92 5270.66 7002.89 8111.29 12474.82 11519.58 12245.94 10378.36 12046.39 12326.87 13485.26 11348.98 11626.81 PDMP 25175.69 23864.04 23025.59 17739.47 52289.81 29359.12 12663.07 39583.22 19517.49 15951.45 34128.15 20941.78 976.76 22124.84 17769.55 23505.01 23837.8 19641.09 3432.22 22119.14 37188.32 3062.1 27031.41 17594.43 20230.85 21192.3 6090.12 25714.88 23328.2 24852.23 23616.15 2103.36 21160.57 21955.77 16601.56 23457.68 20480.26 26405.24 22483.27 25632.01 21511.94 25108.81 17916.35 18086.72 21492.85 857.5 17407.96 18149.47 3413.73 8851.69 23451.53 18112.97 17752.39 20726.56 28256.46 19551.47 27281.04 19626.14 19166.45 20636.89 21147.24 21935.17 19858.23 18470.05 20523.48 18268.1 23010.02 20297.59 18859.75 17859.26 19190.17 19894.16 17114.57 16590.08 16114.98 12022.43 12397.83 11757.58 10073.89 9231.62 10692.65 8852.7 9584.25 8967.14 8240.7 6087.33 7398.08 7253.33 7382.9 7675.23 10643.84 7422.95 6747.69 6898.49 7456.2 7125.53 6466.49 7358.03 7074.8 5982.89 18273.07 18560.53 18530.26 18834.26 19031.13 18830.07 19747.17 18548.76 18541.3 N-formylmaleamate 3247.84 4850.46 5080.22 3894.61 3193.01 3933.25 3476.4 5618.44 6069.5 4817.02 1218.4 4441.73 2848.81 3603.53 3480.16 3792.55 3225.76 3713.41 3022.46 2951.09 3449.05 3642.68 5192.35 1559.63 3698.61 5221.68 4802.23 4390.41 3037.7 4084.46 3532.08 5448.96 3252.26 2564.34 5024.2 5204.71 2945.31 2437.15 3649.41 7314.04 1536.99 3651.77 3692.77 2998.62 5447.73 3937.82 4786.7 4750.62 1732.72 3377.49 2316.08 2200.32 2106.7 3497.74 958.34 3733.11 4453.11 3220.58 1880.67 3060.37 3488.65 2750.69 4249.33 4816.48 3408.22 3611.59 679.05 6093.51 4734.58 3904.5 1822.34 4192.19 3765.99 3269.86 3707.47 3639.79 3512.52 3558.48 3688.21 3840.79 3667.32 3164.1 3538.04 3507.08 Cytidine, 3',5'-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]- 1149.2 643.35 892.66 906.27 3142.38 969.01 779.8 1697.49 900.06 1646.2 384.58 363.39 766.09 710.06 846.62 444.7 463.08 379.36 695.73 1179.97 603.39 807.4 554.67 692.94 386.58 1805.17 489.41 1046.15 677.86 1740.78 776.19 868.89 1654.08 384.36 985.03 435.22 340.97 1013.72 1131.39 701.92 969.43 1366.01 1615.35 434.91 1052 1830.69 2292.06 888.61 830.33 1108.09 1084.29 997.47 1602.51 664.39 683.49 633.01 394.9 2076.12 407.69 2279.64 388.17 891.74 810.98 1326.04 1783.93 417.87 343.08 890.51 826.32 2281.45 2302.14 1111.72 746.09 2396.32 1006.08 1572.02 1342.91 1426.61 1412.75 1346.03 1372.39 1319.71 1114.42 1429.48 (S)-Skyrin 6-xylopyranoside 3468.34 799.37 5598.6 6325.78 779.19 11542.48 1613.09 2133.82 1281.92 1286.61 711.46 463.68 6882.5 1113.97 1203.66 688.11 765.87 2244.94 2098.41 994.46 1298.9 1383.7 876.83 709.37 6422.2 3194.84 758.76 868 614.06 395.12 317.57 404.48 815.14 247.3 264.08 518.2 455.68 692.33 385.89 357.65 661.91 242.59 325.09 375.05 441.49 330.19 575.74 386.09 49248.51 4358.83 4022.71 2496.62 2551.62 2041.13 2468.13 1906.67 2322.77 1523.93 1672.07 2002.7 1925.1 1146.82 776.81 1061.35 1160.11 1213.61 1098.04 1205.49 1048.3 1056.02 626.83 838.94 20492.1 39668.64 10718.41 3104.57 2832.54 2679.7 2842.4 2681.35 2526.33 2645.35 2985.48 2360.37 Shancigusin B 986.51 1351.64 4110.1 2672.08 1160.1 1375.64 498.49 406.46 782.42 1292.03 1347.25 1207.27 1188.78 1407.63 525.19 1098.03 1735.06 1090.91 866.28 961.38 586.44 1260.97 1153.53 2489.3 558.64 546.03 1129.1 1140.04 622.9 1311.89 1082.05 716.9 1134.85 2064.63 2987.48 1101.6 801.27 1156.97 1353.96 1099.35 884.66 876.7 1200.95 856.66 1132.56 513.78 1277.79 530.9 548.45 1368.71 980.06 1744.43 814.19 1897.15 2591.05 1189.01 3114.13 735.36 783.51 422.75 1006.41 815.86 3243.12 3761.82 568.86 1269.66 1373.84 1088.32 876.66 1965.95 1159.89 1173.85 1621.26 706.28 3382.36 1629.47 1412.51 1420.04 1492.99 1406.53 1426.41 1045.58 1493.51 1509.09 Hexyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 5492.58 2598.77 7117.4 2864.36 3562.97 3155.51 3598.9 4380.31 4284.76 4603.27 4377.11 1212.32 2457.99 3189.44 2460.09 5647.51 6250.86 6452.12 12117.59 2343.84 8416.77 4734.15 2713.34 1258.42 4481.14 1655.56 8622.29 7312.38 3505.08 5543.67 3787.62 3694.7 4967.41 3555.77 1341.9 4741.18 2055.97 4558.17 5983.16 2962.03 5004.97 6056.22 5662.42 6608.57 1417.06 3027.89 2186.69 1954.35 2031.61 2669.25 2806.2 2953.08 6125.55 7745.49 4301.72 2792.27 6933.05 10569.41 7459.93 8068.21 6501.8 3956.89 4262.59 5511.55 4184.29 4354.4 1029.58 4177.45 2470.82 4543.48 6559.29 6177.93 4027.35 988.83 6397.36 4025.23 4001.37 5790.49 4380.11 4430.88 4906.61 4628.17 2651.86 5006.49 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxychromen-4-one 1297.34 1183.74 1579.42 1731.57 499.32 1450.79 1928.49 1324.55 1384.1 890.31 1124.01 701.56 707.1 1076.89 598.03 1186.69 1877.99 895.97 1300.28 854.76 1713.31 541.42 1271.05 748.18 1658.42 1323.44 753.84 1553.27 1449.88 2032.68 1652.01 931.61 769.09 1904.08 978.13 1951.52 1419.51 950.52 1657.49 1109.5 1055.08 706.54 2079.99 622.39 1424.3 1025.67 2048.5 1095.95 744.53 1165.28 800.28 1811.94 1094.53 1018.87 1059.77 1311.06 1235.14 941.13 636.12 847.49 679.23 1088.97 914.63 1748.14 1493.65 1313.36 1037.88 1450.68 1660.71 1567 2026.08 1934.52 1130.17 787.9 2388.19 1037.38 1267.59 1253.59 1453.91 1261.89 1186.11 1195.61 1302.16 1290.18 Thr-Thr-Ser 16960.81 1807.71 4419.13 1192.79 12754.77 20441.39 2259.43 14979.27 9090 5075.58 4350.82 8382.96 2908.38 6013.68 2879.99 6094.14 2656.63 13254.04 7506.98 14429.12 7900.23 894.31 1014.12 6638.06 13145.96 15173.22 8993.81 2092.7 14856.55 4965.01 3104.23 4194.08 3028.26 6723.53 5652.85 11998.27 6315.13 11225.63 4510.72 5128.22 18747.72 11960.43 5853.39 6046.69 4386.31 2294.58 15304.21 10550.74 3356.57 6757.77 9582.55 4191.39 8797.23 3245.16 2431.01 7111.17 1567.12 1964.08 4755.36 7198.5 5383.63 4762.51 5090.58 9353.22 4239.88 5810.18 5928.46 2040.22 6163.93 14589.86 7510.1 7006.18 1755.33 7701.82 4934.51 6984.94 4369.55 6582.27 6317.21 7119.69 6580.49 6579.06 6973.07 7026.81 Val-Glu-Met 2591.89 3172.85 2629.66 1710.54 1733.8 531.05 932.03 1864.27 3368.19 389.61 574.91 921.65 2236.2 1996.51 833.01 787.12 2347.75 1956.39 7125.06 2337.68 2130.53 2211.47 334.07 1691.22 3506.99 1794.34 1262.89 2246.93 1564.88 4614.86 1296.54 4327.21 2342.99 1185.57 4402.56 1611.02 1715.34 3210.19 891.05 5356.28 7342.06 3261.3 1814.36 2017.71 1096.85 2458.88 1574.21 2118.96 1531.25 5395.07 902.53 5714.88 1170.53 2857.61 3293.94 2193.73 1269.51 2197.66 2311.01 2067.01 4600.84 315.98 1879.55 394.14 1826.05 2539.24 2427.83 2777.03 1500.49 3622.52 1777.46 1891.12 2677.04 2508 2154.7 3360.12 3727.45 3255.09 4477.56 2985.12 2090.62 3370.74 3676.24 3794.61 3-Demethylubiquinol-9 6153.39 2279.94 2581.74 2026.71 4268.15 5040.58 8927.43 1118.76 8524.45 2881.85 410.12 2218.27 1421.7 3800.71 2050.25 4315.81 4559.25 1337.41 1014.59 1233.58 7871.38 1372.97 343.52 2550.42 4221.29 788.36 1824.24 1972.21 606.73 1457.95 597.28 662.87 3314.16 12262.17 4059.21 5112.35 1476.3 3458.16 4401.91 1284.81 4070.44 6281.53 5802.86 2963.93 6114.99 4682.95 6778.34 5859.96 19923.63 8500.5 5000.7 5427.2 4386.05 4055.65 5912.54 10643.42 2616.57 1326.95 4270.38 2386.26 4533.77 5784.04 11085.04 364.4 3729.84 4776.81 4686.12 3684.68 3493.75 5461.53 8486.21 4685.28 5959.72 2391.42 10138.2 6588.34 6377.04 6993.28 6469.56 6559.7 6651.53 6443.69 6393.89 6375.35 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol) 1253.05 1461.8 1299.03 491.6 1349.04 7356.35 3012.24 3993.78 1116.08 3733.64 2233.79 1935.06 1450.76 2503.8 2143.52 2702.45 1729.73 1710.02 616.08 3233.19 1091.66 541.49 784.63 2996.35 1783.95 1560.1 1047.78 1527.85 1675.92 845.44 2269.25 1472.52 487.43 4634.75 3762.04 3930.15 6143.41 8122.35 2638.01 3753.21 2771.49 8342.79 6255 4114.83 3717.94 5823.39 4740.27 7108.65 6071.24 5269.21 5959.17 10323.19 2100.4 6597.96 5337.88 3096.84 8727 7711.08 4519.6 4654.51 2103.79 5853.31 3380.93 10576.38 4843.46 10400.6 8366.01 5760.19 6039.79 3633.75 7881.01 7450.2 6081.85 671.61 2406.79 5117.4 5485.87 5526.06 5315.19 5238.45 4367.12 6449.67 5118.54 4979.43 Ser-Trp-Ser 14884.26 13917.8 3538.65 4805.64 11557.04 9436.77 4271.52 10120.47 11085.82 5024 3193.14 2542.45 3261.22 879.68 5927.13 1218.02 3344.96 13297.32 7148.39 15117.73 2155.33 5940.38 4615.65 2261.06 20702.16 21905.17 2665.15 470.79 11071.72 1937.26 628.89 6146.91 6337.77 2513.58 1989 8041.78 16216.64 11212.84 5814.75 7053.98 9241.74 6432.51 10816.14 4881.83 6546.43 596.72 10194.44 10361.85 3609.78 4862.81 6068.96 12586.97 2935.95 6009.67 7237.25 4684.32 5830.89 4083.55 6063.77 7007.31 2196.34 10221.84 9848.44 5668.98 13298.08 12415.91 21235.17 510.97 4141.33 12283.55 7437.29 7470.03 3960.12 4484.53 4393.25 8539.47 8072.1 9126.97 9188.38 9134.04 8447.04 8956.79 10185.97 8481.89 3-benzyl-3,6-disulfide-6-(hydroxymethyl)-DKP 17368.83 34490.75 29403.11 14517.11 17501.01 7878.72 7516.01 17890.02 13790.41 17865.75 657.94 16470.84 34287.6 16285.9 12008.94 7195.57 8851.15 13318.8 20527.73 8694.71 17123.57 5952.46 14772.98 19788.8 23311.31 13893.74 20444.02 20714.21 19409.17 21616.96 14847.05 14113.76 6132.72 27481.72 10539.27 30821.97 11173.54 3933.49 23680.59 37292.6 18487.03 11983.61 12116.67 13419.72 12119.5 10738.38 11980.06 17660.65 15034.58 7626.34 11337.21 11090.97 17218.9 9112.45 16971.87 13339.12 19644.58 11228.32 8283.7 6886.02 15573.6 26008.77 7915.7 8422.62 7292.7 16429.55 16331.09 29037.37 39044.55 12447.47 7544.42 9042.02 4606.37 10057.35 6396.53 12273.94 11958.65 12082.69 12124.69 12277.04 12113.92 12089.82 12220.61 12319.06 (7abeta)-1beta-[2-Methoxy-2-methylpropyl]-3aalpha-methyl-7-methylenehydrindane-4alpha-ol 3541.85 5994.64 6272.8 4739.74 2088.84 3342.03 3196.87 4265.28 3758.64 3271.18 2421.98 4885.34 4158.47 5677.94 3119.07 4548.52 4965.2 4341.02 4645.7 5878.53 4775.37 2155 2640.31 5006.29 4972.98 4008.36 3874.47 3045.34 3350.77 6251.85 2820.11 3129.67 3218.85 3292.71 4986.9 3410.37 3102.41 3696.84 3258.33 3626.1 3199.47 1583.25 3491.49 4000.29 4665.85 3712.89 7528.48 3720.89 1942.83 5669.79 3472.42 5027.96 3009.61 3227.05 3334.19 2865.54 3322.63 2886.06 4493.89 5905.51 3905.86 4632.6 3897.04 5406.32 3010.16 3117.97 4630.33 4932.47 3876.56 3543.62 5124.57 3658.92 2447.06 4996.12 4230.35 3856.04 4058.9 4083.1 3949.7 4096.38 3921.83 4028.3 4079.36 4429.04 1-(9Z-hexadecenoyl)-2-pentadecanoyl-glycero-3-phosphate 842.51 732.29 430.13 599.7 1114.83 2709.02 1550.01 1336.63 1622.23 1824.82 926.7 888.22 8409.21 9074.57 678.74 5158.07 391.44 9063.33 873.96 581.64 557.49 450.09 1347.34 716.69 320.51 556.8 402.19 951.25 834.86 504.92 470 928.17 781.53 5209.99 5908.47 3841.12 6546.78 5296.78 6284.18 5236.76 12517.76 12970.87 4591.74 4364.8 12958.69 688.86 5156.46 9287.5 9473.4 17566.68 10804.71 11082.34 4065.52 1374.89 6257.16 9043.61 6879.65 1300.25 2441.74 5741.12 2820.25 4978.39 4224.38 4459.66 4835.11 7695.84 3364.55 4377.19 6065.69 3012.18 2359.12 4411.61 3106.65 6185.97 8392.91 7307.83 7307.68 7557.94 7307.22 7596.91 7301.53 7590.89 7593.58 7683.46 isopentenyladenine-9-N-glucoside 24063.63 24450.66 3469.29 8929.74 32144.42 16861.12 5430.06 35510.77 25086.09 16594.99 14864.99 13740.92 10903.77 4361.02 9209.81 9405.61 11958.16 4108.56 6094.04 20396.46 28681.77 463.24 10183.54 16963.36 27758.13 36189.71 3614.45 1805.29 6389.48 18029.74 28437.5 11948.21 6157.51 10995.21 8554.48 6717.63 28200.64 28467.92 7776.89 11476.85 11914.69 26646.07 15335.04 11072.45 14946.14 5874.36 13677.14 4835.36 4145.45 15236.64 18743.29 1493.09 6540.02 1828.41 5275.8 21662.38 5925.24 1331.71 27142.35 18858.6 9168 6061.11 8951.53 888.01 17227.98 3874.55 31135.59 7028.55 14044.71 25013.49 24586.43 10563.96 7449.03 11171.12 12241.09 11614.66 11861.05 12779.16 14078.62 13700.55 12660.45 11874.33 13657.28 14294.02 (2-Anilino-2-oxoethyl)-trimethylazanium 12258.69 12503.63 6972.88 8880.8 12912.98 17376.29 10065.89 17167.33 15579.96 12945.02 7717.88 8512.24 7699.6 9855.04 11351.73 12233.97 7107.23 14752.55 9093.29 17700.39 18978.03 22832 7069.98 9056.43 14476.9 15888.71 11512.08 9604.52 22725.54 6123.82 15846.76 14179.32 7269 11096.35 10430.6 16243.77 15844.66 14116.37 7943.88 10149.6 15697.1 16907.89 10115.31 9697.6 15427.3 7642.78 15880.87 14266.41 8875.78 12580.33 10643.02 12869.2 11321.41 9904.55 10005.54 12229.54 5879.57 6899.36 10560.77 5208.39 6012.32 7198.92 10851.64 8624.3 9405.63 12899.86 17948.26 8036.84 9399.48 13595.24 10795.78 12934.14 8259.71 10613.34 9863.09 12615.66 12738.06 12535.04 12434.56 12524.31 12359.03 12521.93 12729.47 12823.96 Mosapride 3770.93 14887.82 953.1 3016.51 6339.39 7586.51 4858.13 4619.62 13529.2 10510.66 7080.27 6740.43 3230.75 3471.33 6741.4 5891.92 6061.03 7708.13 11235.97 15167.41 1029.17 22595.08 1698.52 3103.09 510.15 6479.64 4357.76 6466.77 15048.13 570.57 16383.62 7146.82 11288.17 2583.69 3336.74 14115.33 5430.66 4888.26 2708.41 4304.07 3417.26 3905.25 2603.04 1146.9 2994.98 3619.49 5673.76 5754.78 4463.43 12976.68 6150.72 5075.09 3508.72 4139.31 2916.77 1437 2646.09 3810.29 4640.17 1898.62 2826.92 1453.46 6616.58 3315.68 623.53 6500.04 5433.13 1533.14 5536.82 7114.85 15426.37 3331.16 2009.22 2574.17 2314.28 6972.18 7139.27 7373.44 7615.67 6775.41 5210.89 8115.91 7559.33 6777.91 Norchlorpromazine 2920.44 1150.41 724.17 521.38 1992.75 1303.23 1533.05 2152.52 4272.08 1842.83 1019.93 2495.84 446.33 862.92 915.98 1439.45 665.39 967.58 731 2990.87 3471.75 641.56 484.86 1560.62 3605.78 1682.72 1511.42 1606.21 1794.4 2964.6 2319.02 464.09 876.86 1417.21 1112.28 2293.28 1833.5 1006.9 642.15 1188.11 4006.77 2302.68 507.66 801.38 1925.31 755.74 2336.1 1080.04 1471.91 1754.9 1578.22 1464.6 966.86 493.76 1596.31 1193.79 588.7 642.56 2854.12 786.66 752.22 881.83 999.95 1162.01 1046.77 2142.62 1499.83 2818.33 2875.41 3122.61 3016.41 1736.96 1570.48 448.48 1078.34 3160.63 1404.55 2375.97 2209.43 3034.94 1310.48 2201.67 3226.6 2476.09 1137.46 1576.54 1540.35 3356.68 2972.96 2903.25 3060.07 1808.21 813.78 3829.92 2623.88 2653.87 1900.53 3587.2 1928.69 4475.38 1657.58 1725.17 1451.87 1405.02 1446.92 1561.75 1541.06 1656.99 1784.58 dehydro-IAN 4843.56 6136.63 6355.98 2911.78 4153.81 3769.66 4579.73 4884.66 6760.73 3417.27 4564.98 4352.27 5661.36 4872.04 4063.92 5956.99 4627.49 5656.12 4791.89 3975.62 4043.6 3976.05 5130.95 5584.36 7485.31 5807.76 6241.23 6037.54 6149.1 5314.1 5500.32 5048.24 3904.99 6012.92 4580.62 5733.46 6051.34 2837.68 4890.74 5226.83 3601.96 5237.29 5366.65 4751.9 6349.52 4750.38 4265.22 6261.06 3624.62 5560.78 3832.17 4308.77 5240.69 4266.37 3258.14 5867.15 4338.63 4016.36 5265.57 2949.06 5065.74 4519.81 5066.8 5286.04 5254.55 4903.94 4873.03 6347.97 5871.1 5184.45 6754.66 5432.95 3598.18 4001.4 5913.65 4978.3 4861.3 4982.17 4963.45 4992.83 4829.79 4081.17 4978.87 4839.87 All trans decaprenyl diphosphate 2613.26 1101.15 1144.87 422.43 1236.52 973.06 1010.64 3537.77 495.59 3231.32 1062.84 817.25 341.77 1544.87 978.95 1458.69 833.98 1829.98 1396.64 2368.4 3432.98 1186.55 839.69 1327.43 8089.21 3133.78 1577.63 1922.13 1227.29 2215.31 727.67 6134.18 839.27 4161.92 4808.29 5451.99 3114.27 870.48 4322.83 4327.47 3287.42 3818.98 3110.77 2157.35 3469.58 4850.93 1290.07 2822.99 54721.51 6761.84 9058.8 5414.8 4441.69 5236.72 4179.23 6110.65 4823.9 3913.12 6926.68 1898.82 7651.64 4817.68 5372.7 3704.22 4243.78 1668.08 921.62 948.58 2007.34 2046.06 4634.2 5800.78 1606.19 31812.03 9518.97 5612.29 5609.13 5395.11 5366.88 5191.58 5630.17 5570.7 5285.94 5341.7 tert-Butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate 4623.35 3395.75 4552.56 4912.19 3712.91 3373.03 4512.71 4134.41 3040.55 4087.96 1932.2 2121.35 1193.53 4325.25 2487.14 2404.87 2684 3231.58 3237.04 2948.43 2702.27 968.45 1477.49 2824.43 2943.69 3393.98 1563.82 3659.04 2840.09 1219.43 1386.99 3080.57 929.56 3125.11 2795.71 2825.23 3234.87 1012.92 4701.89 1500.63 1936.06 2080.72 3624.08 2686.52 3095.36 1321.1 6375.02 1571.28 2029.17 3114.21 1882.63 1469.13 960.17 1501.18 2380.92 2078.84 2220.87 2084.38 1716.24 3306.1 2219.34 1629.93 1944.14 2564.15 2692.09 2538.65 3531.36 2986.43 2099.35 3490.1 2507.91 2525.45 3021.02 761.46 1676.64 3144.88 2611.2 2615.23 2759.08 2639.53 2574.28 2571.97 2765.46 2736.97 N-1-Naphthalenyl-1-pentyl-1H-indazole-3-carboxamide 6024.72 4156.18 7616.59 1458.66 2170.2 1602.28 706.14 1205.02 3126.44 2660.74 1970.43 1454.41 1470.07 4909.19 1779.56 3693.86 2802.01 2452.91 4860.5 5270.68 1491.46 2772.57 3131.26 5708.21 388.86 5821.33 5606.47 381.09 4506.57 4697.49 3560.29 5606.45 610.09 2216 3008.79 4466.45 11628.55 1249.74 5808.14 6017.56 4930.42 11571.29 5764.26 5538.2 3407.55 4295.63 8329.88 3378.11 4648.5 1563.95 4166.09 5639.14 8205.56 2367.94 1647.46 12094.9 6979.43 11888.68 4739.19 5296.08 6994.07 3370.64 10529.23 8592.53 4442.79 5370.74 5317.64 2381.09 8618.09 10148.66 6180.48 6556.75 4978.98 7820.12 4687.98 6454.2 6202.04 6640.55 5166.43 6396.06 6099.21 5878.48 6687.85 6432.77 16alpha,25-Dihydroxy-24-methylene-3,4-secolanosta-4(28),7,9(11)-triene-3,21-dioic acid 8054.49 542.14 5369.74 1148.08 2847.16 2360.38 13772.35 13159.36 1580.78 7045.96 8135.12 2093.89 2296.78 1318 997.23 566.2 9520.25 5633.43 6143.27 8310.21 1476.54 883.06 3545.42 5434.38 8133.52 2711.99 6666.53 939.17 759.33 4123.4 1088.32 780.14 665.22 6106.4 2871 4189.83 6721.53 3714.71 5196.71 4644.01 5833.44 8680.62 1888.57 5331.28 4098.14 7587.6 9220.95 3086.69 4864.88 7090.77 5945.52 7216.31 5514.68 6706.86 6669.25 7652.81 5351.34 5263.57 6378.07 7031.79 5954.23 5691.6 8943.51 6571.82 9044.27 3934.09 6840.77 6465.41 4450.4 5590.2 7982.09 5167.11 6334.72 1575.26 6879.28 6103.48 6430.8 6596.23 6457.63 5659.45 6114.04 6016.49 6136.95 6120.17 PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) 4378.14 3258.19 1824.64 2979.93 2183.94 1102.4 3892.01 5480.34 5967.65 653.77 3103.41 1929.47 2135.62 3310.55 1580.74 1731.06 1699.78 2152.37 1269.72 1993.93 591.11 3089.16 1247.54 1220.17 2371.73 1806.34 2612.49 798.99 991.52 2199.77 2594.82 4391.66 1205.7 3432.25 3588.93 4654.6 3613.09 3154.21 2844.51 1077.84 773.76 1841.3 4315.78 2919.09 4522.81 1745.72 5509.84 4291.24 1436.96 2750.17 837.71 2456.3 3439.54 1098.27 2621.37 3500.92 3281.78 2315.62 3380.51 1001.18 2349.45 3005.82 2753 2251.04 4017.42 2879.19 2643.47 3658.28 2408.96 4543.55 3388.15 2908.59 2091.15 1453.08 3375.72 3447.88 3372.97 3377.98 3371.04 3377.06 3268.31 3424.05 3411.04 3448.38 N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-) 877.88 2169.55 957.46 2192.19 2147.76 1397.1 2765.68 1768.19 860.66 2100.04 613.85 2341.16 1807.87 2432.48 1865.76 754.64 1474.22 812.01 3175.71 470.37 1130.39 2133.29 574.93 2998.03 1027.06 997.64 1813.53 1637.6 2648.5 895.65 573.8 1035.17 1889.22 2242.86 995.62 1372.8 742.2 726.56 2216.86 2062.1 752.16 1479.84 2701.36 1328.89 1310.68 1252.31 738.16 3496.74 2218.57 1859.25 785.06 1779.01 1915.14 1658.82 1364.62 2538.36 1012.73 1031.41 1387.15 646.24 2541.82 3362.83 695.65 1100.13 857.41 3163.28 1903.99 1589.21 1620.89 2077.64 1025.62 916.15 1200.54 2381.73 1337.99 1691.03 1751 1756.75 1622.7 1761.91 1595.05 1938.46 1778.83 1606.93 5-[(pyridin-3-ylmethyl)sulfanyl]-1H-1,2,4-triazol-3-amine 1424.95 2188.34 1684.22 1524.1 823.59 1255.85 1206.21 2373.54 1401.27 2953.67 1992.25 2557.57 1323.04 2251.69 1151.16 2500.67 2089.13 1951.42 2067.71 1438.34 1333.42 676.14 1505.87 2027.89 1748.91 938.35 2295.14 1357.59 1580.42 1432 566.38 857.43 1974.89 1988.72 1835.59 2178.46 939.47 1569.35 1225.92 2547.21 565.09 1287.67 1248.02 1850.36 1244.46 961.91 1249.27 1635.25 1797.22 751.09 1039.24 2170.4 964.91 987.21 2637.23 1730.92 1893.4 2270.55 1176.04 1543.65 1727.95 2072.17 1085.64 1807.31 2287.85 2127.08 1435.27 2166.24 2432.05 1130.59 2668.16 1920.79 2246.94 2220.86 1900.17 1663.02 1710.61 1631.03 1709.3 1708.45 1631.78 1645.29 1713.21 1722.65 Benzamide, 3-[[[[[4-(aminocarbonyl)phenyl]amino]carbonyl]amino]methyl]-N-(1,2,3,4-tetrahydro-7-isoquinolinyl)- 5523.84 4759.43 4809.46 5849.2 1768.37 4095.49 6952.34 3872.85 2333.21 5806.93 780.92 1934.14 3544.55 3824.95 2865.46 5680.34 4043.58 1002.86 5094.89 971.84 3303.49 2885.2 2469.54 2590.46 6308.47 2892.14 3689.77 3789.5 3771.78 5505.1 2328.54 4298.42 3830.55 6958.31 3679.52 2659.08 4237.9 4148.93 3960.58 3994.21 4406.4 3225.79 3403.23 4627.95 1947.08 4227.61 3877.65 3488.54 3035.38 1921.79 2877.11 2527.61 4159.59 3059.34 5614.18 3708.98 6569.97 4608.21 3831.14 6665.8 5280.25 3219.55 5184.92 3938.38 3145.59 5128.95 2746.17 2972.78 1970.01 2984.35 4411.27 5983.93 3378.54 3721.6 2767.86 3368.13 3076.36 3113.3 2679.58 3480.38 3180.86 3212.61 3154.59 2981.35 9-Benzyl-5-[(furan-2-ylmethyl)amino]-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile 5470.16 1661.56 977.55 1548.88 1611.32 1481.94 3381.98 3910.7 2932.15 1878.08 777.17 1331.9 1058 1205.05 2722.95 2319.5 579.9 3552.21 1332.28 2838.98 1891.01 2505.85 1541.74 1757.67 1770.64 519.44 1379.66 804.24 2153.83 1224.48 2285.88 639.02 3965.8 909.94 815.31 1699.26 3110.74 1537.94 1562.01 2626.92 2209.51 2139.01 1347.86 1230.39 1377.48 1142.97 7367.96 5442.82 2774.33 1344.54 876.48 1604.55 1151.15 684.06 1264.37 546.72 1436.49 1197.54 2234.18 1202.24 1143.46 1583.48 2702.53 1261.83 3178.81 1856.53 2267.46 1544.81 3009.77 2340.35 5444.48 1996.48 3140.74 1453.91 1995.69 1737.08 1733.27 1590.94 1562.78 1562.88 1231.96 1731.95 1763.35 1734.73 (1R,13R,14R,26R)-1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione 394.54 628.66 477.78 829.78 621.57 1030.03 548.71 531.3 647.91 388.04 1076.42 768 326.63 1059.54 324.51 316.89 578.58 563.02 534.2 685.52 587.96 572.92 365.82 866.53 515.21 731.59 470.21 594.23 666.42 874.28 518.82 757.12 497.18 1801.26 328.27 1511.05 814.48 1330.76 1112.58 805.66 2518.53 1175.31 876.08 723.92 1243.8 1292.73 1349.8 834.05 670.12 450.58 365.82 489.24 1478.2 834.65 364.3 587.59 2674.49 401.42 1231.81 739.9 1421.27 794.02 1917.3 1281.33 1214.9 889.29 1045.96 910.41 1023.21 1132.63 802.06 1597.97 438.2 834.1 1858.83 1268.15 1227.64 1357.22 1387.84 1482.11 1412.46 1223.03 970.42 1498.42 (2E,4E)-3,8,8-trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4,7-trienoic acid 1014.46 2437.32 1245.82 644.82 978.52 1751.82 2255.11 2431.48 1409.37 3208.11 3180.34 734.81 1432.94 568.98 6679.25 5511.46 4051.83 3544.31 569.71 5361.01 1356.98 2095.45 2273.87 2224.07 1744.86 2204.32 2095.58 2006.95 2252.36 2326.68 3252.21 1524.39 5241.03 1988.89 1716.52 660.32 1964.61 2086.28 2394.56 5034.84 2815.84 1915.7 1258.44 945.15 4719.3 1527.54 1128.88 5300.58 1606.42 3090.5 1700.2 5251.46 465.98 2124.19 1329.17 2194.69 1853.42 2134.12 2122.85 3974.96 3481.38 3023.99 541.77 1074.21 2442.78 2863.34 4354.02 1306.92 4642.93 2755.51 5193.97 3042.35 1745.39 2119.7 2282.29 1659.2 2626.83 2491.24 1051.05 2572.62 2293.41 2331.39 3123.17 2668.52 Apigenin-8-C-arabinoside-7-O-(6''-salicyloyl)glucoside 14776.35 12248.75 708.95 629.46 734.92 886.43 1894.59 664.57 7998.11 819.91 5414.05 7029.73 5012.2 708.67 565.13 301.96 660.17 571.39 493.2 736.38 670.73 474.22 548.39 552.47 841.61 835.85 592.16 661.5 612.8 675.4 6811.87 10115.97 486.12 814.13 958.89 883.39 635.8 923.81 771.18 638.81 24323.77 12168.6 897.99 642.34 825.28 210.61 433.87 629.15 446.39 24666.03 17525.43 687.44 562.29 807.38 574.82 502.05 395 454.94 471.37 17674.2 10801.73 672.41 690.64 697.98 619.23 500.81 732.02 489.07 566.25 17604.95 12024.15 674.9 634.57 716.35 583.02 15879.32 12732.51 13460.46 13692.19 13611.73 13706.58 13687.4 13994.88 13842.38 Asp-His-Val 594.51 1685.52 750.01 858.63 3198.91 451.05 3634.73 1076.71 1872.74 2488.43 1250.32 1066.66 3529.32 397.12 1055.14 2093.2 823.15 563.22 1731.7 1376.46 1061.35 1044.91 1838.57 510.51 692.89 515.35 1675.36 804.42 868.43 1127.72 558.77 1456.11 2981.06 2895.68 1869.69 1038.01 2255.18 690.14 1124.85 1448.39 1175.58 1922 1108.25 2688.66 960.34 4345.94 1648.62 851.66 900.85 2983.19 2407.19 441.9 1050.91 950.91 717.07 503.81 1965.18 920.97 1640.31 2470.14 2808.23 1511.04 1008.85 1453.17 1116.41 590.27 1111.03 914.38 1359.13 1409.68 1832.58 849.92 1074.52 2047.37 1043.95 1549.89 1599.93 1510.49 1482.35 1489.26 1542.08 1477.32 1490.66 1474.68 Tuliposide A 14940.33 10324.5 2084.55 4603.81 13043.43 14411.03 1828.99 18291.86 19643.98 17644.71 6362.22 13835.61 1575.24 9230.73 1691.56 2285.24 2086.57 14022.25 9779.79 19646.85 10275.33 13684.04 4629.76 4904.37 14066.12 27719.42 8111.43 6304.68 13886.72 5438.43 14373.66 16196.76 13579 4229.9 5574.39 13989.95 16656.02 13532.07 2409.76 4467.6 11217.79 18496.24 6604.44 4798.38 13688.96 3854.84 15817.72 10246.35 5413.42 3006.14 10848.2 13240.33 6533.19 7760.25 6131.91 10289.93 2695.12 4296 7284.49 6300.76 3826.62 5663.6 9373.46 6806.43 6350.76 13581.35 17801.51 9201.9 7088.02 13648.87 12019.34 17677.97 7822.71 5365.14 5454.38 8603.29 8598.96 2612.42 7866.52 7855.49 8587.09 7731.2 8559.31 8555.98 6-hydroxy-IAA-valine 16918.16 25685.66 15870.13 22818.33 12578.41 25922.17 6726.39 21056.14 2008.56 10893.35 8834.22 4437.17 2389.44 14811.59 9691.38 9215.21 3196.65 10771.29 3786.73 4684.83 2125.3 930.61 12989.43 9502.06 4921.45 15285.7 13514.77 1193.23 8010.14 2343.25 14084.77 12697.22 10708.7 18930.56 5684.5 10722.71 9040.82 24336.96 8077.29 533.29 949.58 8321.1 10019.95 12859.18 453.58 10362.09 5095.64 14459.15 8419.04 2582.53 18470.13 24843.27 10074.67 10147.54 6302.55 15358.79 10713.33 11704.19 10942.63 28316.24 1766.34 4603.54 7190.89 12486.37 16203.55 7950.94 11596.7 9727.9 12083.22 11668.84 14183.24 18683.25 3978.25 14123.87 7058.47 9516.45 10392.96 11871.16 11858.47 11595.62 11581.89 11954.86 11443.9 10709.5 [(1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-yl] acetate 8740.05 10851.71 3841.56 8545.97 4800.43 4112.04 10500.12 4809.63 5978.12 11326.6 6549.77 6813.46 17460.87 14578.51 6191.3 7118.76 4498.16 2874.11 13305.31 4154.83 3410.12 13723.85 9042.86 9530.61 4535.64 7386.28 5389.87 8204.13 7125.89 1562.49 2950.9 13230.22 3314.18 10018.39 4597.37 13703.54 7102.78 4897.65 7277.72 2889.73 4866.33 5258.81 10429.98 6779.54 9927.43 12142.67 1336.81 9529.16 10294.5 6595.69 12138.09 12586.61 5706.14 14885.09 5473.78 11922.98 4177.65 3427.05 4622.01 6270.87 674.65 2578.2 6820.68 4552.09 3347.21 5087.15 2238.02 7547.55 5763.73 4343.03 2260.58 9362.93 6612.02 3360.59 5548.92 6512.19 6993.01 3796.27 6795.76 6587.84 6949.84 7317.79 7374.56 6590.67 N-(4-bromo-2,6-dimethylphenyl)pentanamide 16904.29 14782.7 18151.66 15161.53 17171.91 8306.54 8571.93 20217.36 19331.1 15944.4 1955.2 15532.23 16474.25 15179.81 16175.1 13087.82 12735.65 15296.36 16708.73 13005.69 12396.34 9481.9 12064.29 16948.63 20818.52 19809.12 17527.64 13107.12 17982.56 13449.21 10908.47 15272.95 10909.21 19607.48 13749.61 21014.46 14332.08 5378.46 16575.52 13751.37 11161.06 13424.06 14952.26 12463.23 15175.59 5300.43 19697.2 15335.93 8539.39 4256.54 10117.19 10865.07 13008.51 9403.73 9399.9 8453.08 14220.3 11849.32 13157.31 7064.12 12021.35 12733.2 13410.83 13352.29 15284.8 14689.96 11120.36 19413 13672.03 17598.42 12901.12 13662.25 6943.35 8510.69 12426.43 14683.64 14137.55 13948.68 14145.05 13953.72 14031.82 13765.92 13945.56 13948.44 Glu-Ala-His 1636.44 2465.5 848.35 3369.38 4571.57 586.96 1672.06 3296.16 1036.82 1792.18 1586 1764.88 1658.05 1809.16 1408.98 3359.1 2498.28 886.77 1164.05 1472.71 1846.96 1245.19 1539.93 1995.84 1924.9 1874.98 1575.74 1259 1479.54 1573.05 490.8 1007.18 2710.42 535.28 2165.86 568.98 1934.1 3196.34 3080.15 692 812.96 813.84 1511.6 1473.26 987.01 1668.17 1620.5 1409.11 1369.66 1499 1203.83 1187.99 2190.72 1963.83 1430.07 1400.02 3595.36 631.73 1437.73 2820.34 1294.61 1629.25 589.36 1844.88 1616.12 2728.49 1545.47 533.79 1165.82 1034.14 1260.83 2420.97 510.09 2363.92 2128.81 1263.37 1439.07 1676.65 1700.18 1496.31 1530.24 1641.33 1608.11 1633.33 MC-3761 999.2 689.26 712.02 521.66 1771.25 1332.28 1354.43 908.07 1731.22 1699.81 1434.32 1137.47 1966.21 2131.55 1157.11 784.19 1523.2 1149.38 1671.62 1201.79 849.79 1287.23 1770.25 473.43 593.39 1184.15 470.78 493.36 425.28 1367.2 888.93 775.24 906.84 2841.1 763.81 637.39 697.25 1269.35 2527.19 2644.93 1098.67 554.95 581.88 1401.74 1001.56 2786.35 424.56 1296.62 525.67 434.64 657.24 1611.08 763.38 1745.44 481.28 456.57 922.23 1362.55 1020.4 1228.11 692.42 945.88 766.78 2112.93 585.39 473.87 1209.23 1779.31 1083.8 977.31 926.31 1622.29 1088.91 1499.18 1407.27 1323.6 1300.4 1192.96 1148.98 1272.81 1177.14 1223.42 1260.07 1077.61 1-Hexadecanoyl-2-eicosanoyl-sn-glycero-3-phosphoserine 1030.42 488.6 152.99 1262.58 389.7 1878.66 2859.81 267.43 273.51 517.54 1009.02 604.12 573.8 654.92 745.89 1007.83 481.47 578.3 183.73 734.97 285.07 257.64 620.11 271.18 374.36 719.27 276.07 170.61 288.99 551.44 312.81 895.98 284.84 691.82 1251.97 176.22 509.25 1041.75 459.74 396.59 1580.04 1120.57 608.11 1106.73 487.98 776.51 176.54 997.2 50990.03 6105.48 4903.98 4827.17 3181.83 2307.33 2250.37 2992.08 1351.28 1625.28 1830.78 1540.76 1732.29 2783.34 1815.07 1150.38 1596.84 1733.61 2528.59 1123.72 1566 300.39 751.76 505.07 16690.01 32761.4 11664.47 3921.97 4217.06 4877.34 3889.45 3963.77 4302.62 3813.92 3856.3 3349.28 N-decanoylglycine 1542.35 1393.42 961.47 1093.14 818.42 962.99 1201.44 1507.48 573.08 973.34 1256.46 1259.31 1488.07 962.89 930.73 1429.44 959.97 1096.28 680.27 419.56 1242.27 1097.4 923 808.79 1584.52 1373.05 649.68 980.49 639.45 1790.81 653.88 2185.41 1266.95 1081.55 1520.46 1125.37 748.09 1069.52 1345.96 1485.37 736.42 2735.96 1429.99 943.72 731.15 1616.46 1080.96 738.66 1080.3 966.06 1328.62 1555.97 1085.17 1179.17 1195.87 1152.6 1088.48 915.24 1007.06 828.82 921.25 1300.08 1933.06 1310.62 911.11 1538.48 986.61 960.21 1950.57 783.64 521.76 1774.14 1242.71 1169.72 1012.69 1709.42 1867.8 1582.35 1557.39 1678.97 1576.47 1472.56 1678.12 1462.94 Gln-Gln-Ile 1693.49 3601.67 1676.53 1343.68 6055.28 3511.65 1354.36 1578.86 7391.71 3935.01 2123.22 1634.63 1787.47 2583.17 2681.11 5521.57 738.6 1404.3 6859.53 3384.69 2555.91 1809.41 2251.56 3009.29 5412.41 7520.38 5550.46 1834.16 6608.58 725.73 2235.56 2937.31 702.61 5842.61 906.46 2231.65 2635.57 4855.42 1347.59 5800.88 3919.01 3141.12 5733.75 2539.89 2128.16 4733.11 2335.54 1411.51 3886.19 2448.02 2445.61 1863.77 2622.34 5943.52 2502.31 1243.72 1599.35 5545.99 2054.07 1001.75 4396.83 2548.69 6759.53 4933.05 1139.78 3815.61 2567.94 920.36 2378.96 3006.42 661.14 3059.18 2782.99 1999.88 3819.61 2220.85 2313.83 2520.93 2543.04 2521.96 2530.13 3158.06 2032.59 2230.3 5-Amino-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile 546.4 1754.73 11714.35 19766.75 30007 20266.04 29536.78 1394.19 699.96 1945.61 1022.29 2156.96 7613.13 953.12 717.81 35455.23 15044.5 1054.79 818.58 880.5 1289.69 659.08 667.91 1008.45 733.38 737.38 711.57 313.73 1321.18 463.14 3860.87 1594.71 368.45 2535.29 12699.79 630.75 1402.07 1397.24 1235.94 2628.96 14379.77 2958.14 1423.6 4753.82 1870.74 8203.65 937.76 933.34 554.6 18569.51 2070.99 1376.22 1756.81 10766.41 8516.33 1805.74 10746.46 1570.89 1594.82 14696.77 2798.89 2160.75 2243.11 8921.98 1383.08 4301.76 1900.91 1507.49 1353.92 1418.45 1093.41 158.18 3450.87 4383.55 4082.8 6408.85 6427.73 6428.69 6383.37 6428.06 6418.16 6383.43 6403.39 6429.35 1-Cyclopropyl-6-fluoro-1,2,3-benzotriazole 529.55 1872.47 1446.16 2617.28 2556.36 2061.38 1617.29 2569.86 669.88 2592.24 1438.6 2326.52 3065.24 2865.91 2956.62 2049.64 1874.64 1820.3 3172.22 827.61 832 2585.78 1988.92 2980.55 2155.9 1663.39 2213.62 2143.95 2639.21 500.4 863.18 2635.58 2540.17 2558.37 2767.85 3003.66 1429.69 1174.23 1692.34 2365.44 898.51 2314.16 3331.32 1988.29 2251.75 1993.23 2573.57 2685.61 2313.98 1570.19 2007.03 2087.63 2112.72 2715.99 1806.9 2849.53 1411.2 1171.73 2259.17 2165.84 2597.65 2422.66 1705.92 3470.47 3190.56 2313.86 1463.37 1770.55 2029.24 1608.59 1475.82 2866.31 2319.45 2202.28 2090.62 2663.5 2619.04 2580.92 2604.85 2475.32 2480.52 2438.63 2735.73 2623.68 3-Bromo-6-fluoro-2-(trifluoromethyl)quinolin-4-ol 8052.49 8210.2 2693.68 2811.58 15456.99 18657.82 1711.18 3961.02 3416.92 4163.04 7357.46 3396.88 5793.53 4118.14 9727.55 3905.97 804.1 5945.46 581.92 7982.28 1397.14 3813.03 3472.38 3432.59 4897.07 2636.58 1345.62 4733.34 4438.56 2563.66 4800.78 8107.44 3312.41 4660.79 900.64 2252.35 5698.71 9486.64 2945.69 2508.06 5756.87 4471.79 1774.22 1285.28 4350.22 998.74 4497 3925.55 11117.21 12230.07 10078.65 11665.43 2036.25 3745.56 3674.19 7204.29 2671.15 1827.33 5181.56 2221.02 4601.42 2916.2 6963.87 2711.74 1181.35 4871.3 6577.13 1000.73 3142.16 4321.28 6406.8 4658.12 5329.59 978.72 2866.57 3559.93 3587.82 3371.73 3324.32 2237.22 3560.23 3593.82 3412.57 3561.75 Shancigusin D 1769.9 1071.45 1682.81 1784.17 8302.44 2575.22 2076.61 2261.09 1849 3858.49 1221.44 1470.6 6269.85 1993.61 1806.48 7119.18 1609.74 4044.65 6531.36 8105.14 3100.22 1792.24 2720.19 1680.03 2916.24 2104.89 3508.09 2261.16 2030.58 4613.48 3316.68 11044.58 2901.21 3371.59 2728.63 1917.04 3227.16 1812.06 1944.79 1759.2 7329.31 3621.83 2664.38 1891.86 4501.99 2765.45 2665.25 2306.29 967.13 10547.92 2475.05 1154.4 2354.56 2057.66 2869.16 2233.52 2876.04 2708.93 3313.32 3019.18 2223.35 2596.41 2623.47 2669.91 1265.57 1917.21 1655.23 1421.5 2156.08 2160.36 1826.9 3050.78 1026.07 2461.09 3508.35 2962.67 2973.64 3354.05 2629.23 2978.7 2864.48 3007.81 2881.58 2855.08 1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) 6277.36 2988.96 7145.89 6502.69 2298.88 5166.88 2723.55 9632.95 12920.68 3583.72 3063.57 5698.84 4171.22 4774.59 7572.26 4331.61 5544.92 2061.98 2144.34 6205.85 17991.23 10434.31 8748.04 4097.14 15512.2 1290.61 12341.13 2803.57 12745.54 8373.44 7068.41 1818.47 6959.29 2659.62 5720.63 3798.51 7969.59 4171.2 3940.16 908.44 1067.75 5132.7 3215 1218.01 7639.97 1594.56 4886.75 1106.66 5203.94 2208.39 3856.88 685.22 3497.2 1149.84 1704.17 9730.15 2331.38 3183.9 1441.05 2451.48 2605.26 3399.96 3441.13 2647.64 2634.67 4002.61 3183.25 7293.32 3101.45 1301.3 715.9 9021.05 3299.75 1000.09 2298.21 3199.15 3427.42 3378.91 3191.77 1464.06 3160.18 3257.84 3796.34 3200.52 [(Z)-[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate 11423.41 9580.91 8996.64 4807.54 10455.26 7600.98 9142.75 11112.82 7737.09 11569.02 12007.56 9447.23 6528.56 10248.12 10057.31 9223.6 4760.12 7812.73 9702.64 5649.06 6376.79 2456.62 6729.16 8277.9 10698.23 4806.42 8013.46 8561 9704.87 7061.16 7217.04 3412.31 4645.33 6673.81 9152.23 7774.19 12245.26 13199.12 13589.25 13109.49 1669.72 9064.77 11685.68 9031.86 9216.07 4544.23 8936.74 11016.87 13507.35 10906.13 19519.69 19481.97 7546.18 9101.69 3559.45 14055.59 9053.21 2656.63 5747.51 6342.36 10406.92 11170.29 14232.24 4345.45 6154.05 13092.64 9861.74 8456.09 12550.23 9960.55 5508.99 5417.78 13064.68 9157.94 7484.9 9116.28 9101.62 8869.68 9174.12 9151.79 9079.35 8866.21 8830.16 8746.6 3,6,7-Trihydroxy-9-oxoxanthen-1-olate 5172.35 2938 5691.22 4935.2 4864.1 3934.68 3378.88 5535.94 3013.4 3074.91 1178.82 4992.28 1397.99 4864.09 3692.57 4422.51 4544.15 2323.05 4750.22 2282.6 4671.56 1685.36 3230.47 6233.38 3780.99 4805.97 4208.16 5276.21 3613.36 3122.65 3968.37 4334.01 1597.44 6111.23 5044.41 4761.01 2924.82 3001.68 4598.33 3057.05 3629.47 4455.55 5479.76 6307.74 3976.29 4202.1 4082.08 3699.22 3949.24 3567.05 4385.14 4396.14 4858.43 5431.7 1553.94 3634.68 5114.97 4617.8 4248.09 3482.47 4999.78 2711.53 4775.73 6489.22 5061.78 1569.76 4208.51 4193.43 4501.46 4709.56 3760.44 4653.59 4299.7 4064.21 5940.49 3878.53 3236.23 4320.14 4196.04 4166.63 4046.7 4197.97 4187.14 4192.59 Benzenediazonium 1792.29 1180.1 965.11 4579.35 1664.37 1913.55 3454.58 1726.97 2195.43 857.07 3680.76 1198.68 3059.39 1370.08 2295.75 3236.51 2417.26 1941.27 1679.5 2108.52 2083.38 3635.97 2735.62 1011.63 1749.33 1587.92 2104.9 3005.94 2866.56 2573.43 3023.75 776.36 828.62 2604.95 1074.73 1893.99 1250.26 2209.48 1293.34 2694.14 1203.65 1113.48 1741.17 2536.71 2138.23 1338.04 979.83 2273.53 1449.4 3803.96 2664.96 4071.47 2057.03 2910.22 1012.31 3882.26 2495.04 2183.51 1720.2 3530.02 2994.64 2376.3 3459.59 4182.5 4790.61 1724.68 1290.91 2253.76 1181.69 3474.9 1642.77 1743.73 2183.39 5182.54 2266.48 1406.92 1406.15 1379.32 1311.17 1336.22 1432.07 1407.08 1301.02 1420.6 N-hydroxy-L-isoleucinate 3427.27 2767.53 3158.31 2022.87 2917.27 1139.37 2745.57 648.66 2860.47 2111.57 1902.55 2344.73 2213.46 2264.63 2979.71 2755.9 1766.95 1552.64 3227.35 2156.96 1571.07 1441.73 2008.41 2898.6 2943.5 2293.12 3023.27 3226.89 3730.79 1991.52 1795.61 3083.8 2616.59 2339.07 1699.39 1841.31 2865.26 1031.55 3266.89 3002.83 1926.55 2384.68 3325.31 2864.91 2420.14 2311.42 1799.85 2661.28 2187.27 3111.69 2403.58 2285.82 1570.45 1814.44 1542.29 2584.74 2478.05 2033.25 1630.47 1471.31 2364.53 2120.03 2694.38 3138.3 2816.26 3316.42 1534.28 3691.66 2997.32 3343.98 2341.93 2511.24 1822.69 2229.12 2883.16 2751.18 2748.6 2731.14 2610.6 2752.47 2590.67 2787.12 2745.59 2708.61 4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-YN-2-OL 42668.67 30608.49 59001.68 68424.97 75077.11 134450.37 87794.45 43575.88 34440.9 77474.01 87304.28 83029.18 119793.44 118602.99 38894.2 75226.95 66922 38074.68 145750.23 38559.75 65731 122723.7 99548.29 95103.09 56936.49 51115.12 97291.7 63146.36 100224.23 76550 49009.94 142442.32 36971.65 126976.26 102983.05 72769.56 42562.98 91091.16 125304.51 114463.18 176606.17 128043.25 117197.43 126850.09 74313.3 106624.58 40133.4 91744.12 87495.23 96564.62 73936.08 42967.61 116596.92 123164.52 105996.79 53065.94 76094.99 68360.07 42260.21 110394.77 73467.56 127155.41 41838.45 64384 37080.76 81171.15 32329.77 93822.56 85229.25 40834.25 35351.67 126558.97 109242.88 131579.9 87720.68 97687.03 99264.74 97303.05 97485.33 97044.16 97039.76 95306.53 97039.67 97701.36 N-(4-methylphenyl)quinolin-4-amine 1787.08 3287.02 2293.2 2851.56 1936.9 1972.55 3648.17 2429.81 1523.06 2186.65 861.53 2853.45 1555.87 2049.84 1366.36 1177.38 2220.17 689.17 2711.98 1139.01 1864.08 1643.17 2687.02 2434.33 2321.17 861.4 4122.58 1137.38 1114.32 2325.88 1099.74 1861.06 934.64 4300.33 1534.99 2288.14 2288.71 783.06 2855.09 1695.03 1311.93 1486.67 1846.98 2972.58 1370.02 1144.49 2038.65 3107.03 2476.74 2030.65 978.45 3105.99 1925.8 3425.41 645.3 3106.74 4715.82 6709.17 1414.43 2524.98 1414.28 5319.3 1426.98 3245.13 887.8 2899.14 1660.1 3649.36 3139.27 618.91 1622.09 2497.65 1596.41 1274.41 2093.25 1663.86 1621.93 1652.2 1749.64 1589.6 1680.45 1727.41 1725.42 1648.76 Tetrazole-5-acetohydrazide 1935.41 1663.07 1854.14 2470.79 1957.49 1564.38 3539 2461.18 620.13 1834.54 2551.18 2800.26 2294.59 2670.57 1728.93 3275.03 1546.88 2189.44 3417.66 2364.22 2304.88 2115.4 2238.75 2649.54 2783.14 1672.45 2875.63 2678.39 2614.77 1603.12 1642.24 4938.99 670.55 3058.06 2320.54 2339.7 1030.68 1888.56 2628.56 2347.05 1846.65 3161.35 2720.16 2516.05 2347.91 2596.99 2474.11 3183.61 3052.97 4224.94 1930.86 1992.12 2865.4 3521.34 1147.32 2245.49 2187.85 2159.96 2143.73 2000.18 2585.07 2112.48 999.98 2625.96 2314.59 2341.19 2171.84 2961.24 2464.07 1990.18 959.22 2897.04 2910.95 2780.59 2843.09 2324.45 2515.73 2587.34 2598.2 2507.44 2534.72 2786.34 2602.1 2597.29 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,3-dihydroxypropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 884.61 385.96 820.63 938.7 2100.04 1545.79 807.45 5794.42 2591.95 756.5 349.72 518.76 1708.34 539.27 1055.89 537.31 350.47 690.69 926.57 884.53 1354.92 253.37 259.88 411.77 882.08 264.6 497.33 599.47 389.86 416.19 329.7 343.74 648.31 300.62 959.26 6851.42 4866.79 314.3 855.68 1401.94 2426.29 4496.63 625.66 911.24 5195.89 1728.78 5011.73 2840.06 344.1 1608.91 2493.01 851.53 787.77 769.97 1464.41 523.72 481.62 349.2 3516.84 819.36 622.38 993.72 586.23 440.85 858.76 1747.1 999.09 1668.25 582.59 5477.44 543.17 629.83 2135.45 413.33 271.97 1736.88 1766.34 1686.94 1715.68 1736.16 1796.92 1531.48 1740.45 1779.16 Gln-Leu-Asn-Arg 1873.57 7870.17 1430.65 5586.04 7415.32 7205.16 5376.39 6666.76 2270.02 7944 4905.35 814.32 4980.36 1129.56 3668.89 597.11 7380.46 561.32 4982.72 3189.29 1252.36 6520.82 4566.26 1166.47 6260.14 5270.42 6718.81 5246.84 4963.15 1395.84 5614.3 4913.18 5139.08 7036.95 6252.96 9125.91 4890.58 10511.25 9860.06 6539.18 6875.35 4963.56 12015.26 8412.16 8699 7807.35 6405.47 7343.48 3002.63 6922.28 10433.74 7994.46 5027.78 8978.33 7959.16 8523.9 7270.65 9785.18 7863.88 5828.4 6920.7 6264.77 6320.93 9804.16 9231.48 5726.12 4915.35 7037.67 5480.46 6410.81 8589.36 5167.4 6242.35 8673.97 10941.25 4785.7 6364.87 6312.51 6214.41 6008.66 6118.64 6264.01 6039.5 6024.86 (31R)-8,12-diethylbacteriochlorophyllide d 17412.81 10656.02 3179.1 4005.99 6371.56 3743.39 5746.61 8717.75 5025.61 8105.12 8210.1 9729.28 6320.39 7955.21 8590.3 4415.9 8546.5 2977.91 12868.77 3515.06 3374.64 1165.44 782.84 6197.64 14734.96 8290.18 10078.31 12472.3 2969.89 4819.78 3206.25 8992.34 4372.73 1497.02 2842.29 3062.08 5068.16 3230.66 5174.27 1979.63 2504.1 4200.15 4876.86 3758.19 3197.93 707.94 1772.73 11836.17 9683.75 4818.41 6011.25 4661.92 3203.97 3903.29 5500.91 8614.4 3476.66 3071.63 2660.87 919.39 1211.47 3745.55 9487.94 3653.57 8666.39 1604.37 3585.52 11735.97 7605 4084.76 5280.61 2799.95 850.57 2752.58 6973.55 3228.09 3281.1 3045.48 3263.39 3242.34 3217.46 3032.76 3443.46 3095.97 Chloromethyltriphenylphosphonium 5569.63 3479.16 6520.88 7052.49 4724.16 2788.43 6477.64 5143.41 4902.28 4008.95 4669.3 5292.53 5872.02 5973.72 4441.41 5828.92 6125.22 5163.15 3793.51 4226.4 5774.26 1240.27 5677.84 6269.77 5978.89 1889.5 3472.93 4843.26 4476.73 1563.36 4758.86 2650.72 2687.38 5058.44 6646.18 4278.39 5258.92 2371.64 6471.81 5184.43 986.41 2480.87 5855.07 6117.57 3887.85 6011.69 4977.23 3721.97 4638.7 4018.89 5964.08 6658.53 5893.9 7724.52 4668.14 4199.94 5626.4 5544.13 3852.25 4063 7164.94 7138.52 7853.14 8254.68 5688.43 4508.71 4816.45 3758.82 4455.25 6600.71 4133.91 4380.61 6427.53 5964.76 7282.9 4071.69 4472.43 4547.39 4519.56 4392.49 4575.36 4166.18 4518.18 4385.57 Gly-Asn-Phe 3278.91 6977.29 4339.19 2805.11 7218.2 7164.88 5716.95 4768.75 5583.16 8634.23 1909.88 3626.3 3348.03 3388.78 19798.65 4516.88 1912.63 7656.8 14154.4 10549.58 5110.26 13501.82 1313.99 6431.78 9179.24 1989.09 2763.02 1165.9 6703.57 5442.79 6519.2 6530.55 3463.76 16766.19 4554.46 1492.8 2119.82 4032.07 4449.4 8811.43 5955.8 9511.44 6470.74 3632.84 5639.39 15608.51 10583.23 1615.18 535.59 9099.72 2230.59 6164.8 6286.85 32466.9 4007.62 5804.84 5943.88 2201.32 4502.99 4756.8 4206.67 5033.6 4231.18 3366.8 1535.59 3291.87 2767.89 2487.24 4980.42 4884.21 6517.37 19493.59 3731.3 2205.68 2645.52 4821.92 4208.69 5107.05 4748.03 4113.51 4374.39 4531.14 5694.07 4072.88 (1S,4R,5R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-ol 2057.64 1947.63 1958.43 1660.24 661.52 682.37 1981.65 1797.58 1192.2 1874.21 1754.97 1106.8 1484.65 2440.41 1786.27 2107.46 1774.64 1776.62 1433.83 1953.79 1644.69 2000.95 1338.49 2345.82 2350.99 2180.58 1357.19 1558.3 1813.45 2110.19 1490.42 1809.65 2379.8 1919.61 2006.69 2010.54 1991.17 2169.42 2104.98 2125.23 882.82 2135.04 1868.61 2586.91 1977.77 1437.98 1840.16 2368.34 1667.46 1560.69 1605.34 1856.36 1353.31 1862.54 1975.07 1915.93 2211.41 1866.52 2320.92 1138.19 2046.94 2065.2 1970.27 1629.38 1237.17 1053.51 1780.27 1616.25 1741.75 2116.16 1828.22 1705.83 876.98 1429.54 1226.54 1749.88 1717.07 1746.74 1699.83 1746.33 1698.2 1475.02 1693.7 1746.59 Cys-Phe-Phe 24559.48 14410.03 8673.99 4389.03 7998.46 7967.73 6981.63 634.28 27588.29 4011.94 3718.83 9032.66 4434.44 7059.15 12716.27 4353.39 9446.03 22313.54 8402.34 19299.47 26478.79 26904.36 9336.73 6689.56 18653.06 25135.43 3754.21 1656.96 11339.75 1818.56 15806.2 7526.3 17245.87 2019.7 4387.89 6427.02 30032.08 14328.77 4346.79 3300.15 17623.32 25077.85 9813.88 2794.96 10223.04 4828.91 20204.59 15039.23 4583.75 11973.27 21898.97 5297.5 11577.18 3536.93 4406.72 26784.04 2026.89 11552.99 20506.41 19618.21 1030.97 5196.31 16227.56 6161.71 5253.77 10430.69 34415.39 14160.13 3190.42 20994.77 11111.56 5933.28 8229.89 2878.23 9824.48 11492.17 9946.37 8489.21 8766.69 9726.83 6871.43 7131.84 9602.79 9659.22 Ethyl 3-Indoleacetate 4136.73 430.43 768.68 854.09 6024.55 2664.1 1580.52 3694.1 4880.62 1784.38 678.63 1492.9 1096.94 740.78 3303.95 2564.81 1033.16 3054.67 1578.94 7894.5 3608.05 1153.73 864.76 442.87 5345.44 1696.96 396.9 391.2 2849.07 465.6 5251.14 2299.26 368.16 1218.82 973.6 2831.34 3590.89 1361.81 844.18 1499.04 2635.28 4400.51 646.45 886.83 3692.58 692.65 5598.39 2054.09 1758.74 4191.54 1430.28 1454 1033.8 720.86 2625.6 2789.77 830.97 601.23 2123.92 854.23 807.88 666.62 2419 612.71 1270.65 4595.22 4811.67 1273.28 3611.8 4647.33 5081.68 2739.28 2483.52 1250 953.01 2522.04 2507.5 2589.23 2460.4 2580.67 2582.4 1960.07 2531.59 2471.12 4-Methoxybutyrfentanyl 184.42 276.47 417.94 1726.93 29309.19 10808.77 10339.67 338.71 412.02 504.05 495.19 607.56 199.25 246.28 398.31 980.29 295.65 857.77 460.66 258.43 341.95 230.72 248.47 231.79 319.01 420.36 253.43 626.3 396.11 475.73 329.27 6076.13 739.27 1737.1 588.1 383.41 797.44 444.55 166.11 323.57 5756.75 308.47 556.74 497 821.6 517.96 313.94 244.25 66619.14 1109.36 710.34 470.03 1992.65 1141.04 457.64 1164.93 1356.28 1385.25 1088.43 2542.53 1088.71 907.94 918.46 233.47 912.56 461.97 611.02 155.31 727.02 796.63 1056.47 544.84 1278.68 34826.42 2371.3 2051.06 2218.9 2156.62 1804.74 2079.53 1495.36 2209.04 1883.03 2091.34 (2R,3S)-2-{[(1Z)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino}-3-hydroxybutanoic acid 550.83 1310.33 1665.71 617.36 1060.44 1876.4 1427.25 2755.45 2228.36 1427.45 1142.32 1577.89 3561.77 1003.75 2012.13 1608.86 1819.08 855.23 1437.97 1297.8 904.69 1289.87 1484.83 1670.43 1468.03 1336.66 1777.45 1758.07 1893.79 736.78 1541.88 2715.02 541.34 2140.62 1232.97 873.45 944.83 2679.09 2355.82 3307.94 2379.53 2129.33 2248.25 1412.59 1254.23 3850.37 2511.99 3961.33 1976.9 2496.81 1060.71 2039.65 2035.75 1367.43 979.56 3214.72 1508.58 2342.99 2259.21 844.95 2143.84 2735.64 1994.2 1946.34 1112.63 1627 2810.23 2304.53 3150.7 889.3 2440.07 3032.25 1840.07 1440.56 1696.72 1041.22 1882.11 2036.32 1978.54 1800.38 1816.63 1831.87 1887.13 1892.26 9-Methylthiononanaldoxime 511.04 2674.34 1596.79 1693.06 989.21 3006.4 1128.08 1537.81 1502.12 456.4 2488.66 834.98 2967.94 1219.29 1015.93 1319.18 2238.16 1680.17 1521.84 1273.86 2231.18 2633.89 1151.21 796.84 1012.86 2309.69 528.58 887.82 1604.09 1102.48 1291.08 3489.32 1328.88 1585.44 2541.77 876.43 539.8 5125.87 2254.61 2320.4 1227.85 644.72 1802.31 1591.51 2500.63 2994.84 1637.41 452.61 1284.01 1851.2 583.16 3369.91 2168.9 1413.86 1069.6 2036.38 2330.17 3806.8 2083.04 1964.66 1202.78 1189.17 2153.63 1739.31 1968.95 1502.96 1613.99 1063.71 1004.1 1385.59 1319.11 3725.89 1371.98 3490.97 1252.14 1891.11 1517.53 1686.51 1560.62 1814.23 1871.19 1815.12 1873.51 1574.2 Tyr-Val-Arg-Pro-Leu 557.9 977.76 901.35 1007.14 1138.28 709.79 1956.08 533.14 538.87 1043.98 258.21 868.49 2100.97 1436.61 958.58 1042.56 484.23 425.3 1237.47 1683.39 748.7 1036.89 563.6 1360.51 1121.3 757.53 1077.56 1109.18 1258.17 1294.11 827.76 1239.04 632.48 1257.12 1401.54 3586.15 1086.83 922.97 495.01 647.35 519.17 987.18 930.67 931.31 481.28 2965.49 1438.46 1661.59 716.7 1794.97 554.55 1085.04 596.05 808.95 1181.14 920.48 581.38 718.4 5360.43 1695.94 1239.4 1967.19 1075.18 634.2 1370.87 880.18 786.3 1321.58 632.1 987.28 442.6 718.46 901.18 1281.19 447.45 1572.06 4128.21 1961.88 710.94 1999.44 2046.73 3104.86 1621.08 1651.24 1380.41 1983.46 2951.36 1968.39 3557.21 709.68 2150.82 1931.94 1652.5 2559.72 890.87 1479.27 2062.23 5122.43 3056.14 1447.15 2045.12 1839.03 2045.27 2029.83 1886.96 1948.68 1875.82 2025.79 3-Hexadecyl-4-methoxy-5-methyloxolan-2-one 682.29 4544.72 1061.8 3124.48 1380.35 338.95 1308.09 2018.17 2096.76 1674.32 1325.71 316.42 3557.05 414.64 468.04 687.87 521.52 3825.46 846.68 329.12 1285.39 297.34 1030.05 753.52 488.84 339.9 1101.44 791.17 434.43 1074.22 943.32 403.4 560.95 2112.48 783.82 1121.04 1284.2 1896.21 2644.53 6096.67 4032.61 1718.52 2693.01 2409.48 1784.07 658.2 1463.74 2691.49 3068.41 427.26 288.32 1268.91 1421.44 1527.94 3101.13 2400.97 1648.25 2050.65 2218.41 1363.6 2941.57 1805.62 1277.49 3662.36 1259.88 1443.65 1682.03 1921.99 6089.05 1321.2 1702.41 1157.58 969.65 1931.12 2310.05 9138.15 6003.99 3828.88 4712.04 5713.91 4962.64 5639.41 6671.26 4839.2 5099.8 4452.75 10543.44 4563.84 5591.16 4306.64 5482.05 6446.74 5466.26 8550.65 6703.44 4060.48 4277.84 5704.28 6715.0 6110.54 2785.29 2648.43 2449.18 2643.26 2666.19 2769.97 2769.06 2629.33 2927.33 Asn-Pro-Tyr 11603.28 16620.25 2974.92 9652.9 7644.97 9515.55 11931.69 12565.44 8882.95 10618.48 9267.75 4510.94 6869.62 5393.71 12909.46 11723.3 8098.27 13098.51 11512.86 10858.06 7193.93 1892.07 5911.5 11162.32 7225.74 13412.4 10433.12 12527.87 14157.77 910.17 20688.99 17618.54 3438.14 13144.41 12822.51 17593.32 9678.45 7327.45 12041.62 5831.24 7908.91 20617.27 12813.54 2122.7 12751.58 15681.19 13634.82 14113.18 18244.16 9601.61 17183.59 15630.95 13057.92 10897.87 4370.39 17865.71 4386.96 8004.18 7422.73 4222.6 10334.91 7832.89 10543.59 8182.53 3818.89 16810.95 6880.65 6410.42 9684.86 13602.79 8239.17 13342.5 6975.39 4925.71 10449.61 2686.24 9862.6 9910.46 10405.77 9253.95 9811.56 9338.96 9308.46 9287.42 Isofenphos-des-N-isopropyl 19534.88 19801.03 22989.93 17808.16 23564.8 9582.15 13622.62 25457.5 23780.75 20784.16 3286.31 11871.39 15020.37 17316.93 18259.18 14375.52 15595 17495.74 20813.25 15337.3 16877.81 9285.64 11699.03 22276.55 25766.67 26763.78 24609.78 23533.2 26165.32 14974.38 17476.57 21922.6 9779.59 28486.34 17979.34 28160.5 15079.29 5814.21 19491.73 16862.18 13392.66 15946.42 20175.34 16481.31 21708.81 11047.87 24651.43 20872.43 10542.17 13986.41 14433.09 14492.98 18259.43 11371.71 13003.89 18996.24 17673.33 14819.62 16458.54 8085.28 15727.89 15291.88 17387.97 16687.09 12941.85 20314.62 15307.44 26920.3 17817.21 23421.59 17451.26 16183.23 8022.73 10347.71 15266.37 20115.03 19307.13 19002.28 19189.37 19038.7 19266.01 19322.4 18973.44 18344.78 gamma-L-Glutamyl-L-pipecolic acid 16140.29 21326.1 13338.9 13028.52 17549.56 18651.62 4632.23 18986.15 19281.23 17204.06 14229.6 6941.26 9214.58 11498.22 15097.9 13426.31 18005.62 14719.94 18692.72 11184.24 11792.31 1911.46 10594.15 12604.8 14088.11 13142.03 12652.54 13554.93 18378.53 8279.86 13637.34 20152.34 14404.05 10689.51 13092.76 13617.59 16461.09 16561.97 11727.56 14286.51 14872.78 19586.34 13699.65 3883.24 14681.33 10859.95 16222.6 18979.21 13009.76 15272.83 12964.17 14259.25 12373.07 12543.1 10507.44 7949.66 11525.36 11214.39 22065.02 2902.72 15082.93 6315.97 17135.35 10907.88 11892.08 17812.27 19601.1 12777.64 13785.28 17256.22 17491.25 15251.18 13531.18 12815.59 10857.43 13507.14 13504.93 13504.94 13304.01 13271.24 13248 13522.76 13260.03 13247.24 N-[2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylformamide 1832.19 6073.68 3846.05 5681.33 945.65 3712.26 2382.68 2544.31 1209.63 1780.81 2423.44 1686.21 986.19 1621.59 7550.28 1098.62 1421.35 4870.39 1209.67 3076.54 2432.73 2385.77 620.75 2811.12 2644.42 1284.97 1992.54 763.47 3110.75 4203.2 4286.71 732.33 692.17 2626.59 1922.95 697.87 2117.75 2158.51 3282.32 3961.12 1959.42 1279.04 2342.97 2711.75 869.84 2728.53 3931.16 3543.35 1033.52 1253.58 1963.14 3241.49 1390.04 1795.05 2355.22 5278.85 6426.23 3192.48 2492.68 1056.19 5025.16 5716.56 8483.34 7499.85 3764.95 3627.84 2167.51 900.76 2261.77 3500.25 2364.88 2175.52 8451.68 4499.93 10180.22 2118.35 2141.66 1894.32 1872.67 2079.85 1999 1989.06 2139.52 2044.83 [1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid 1318.73 3089.61 3659.18 2201.36 3227.81 1949.97 2154.09 5217.44 4357.43 1695.24 1017.53 632.6 2410.65 2798.72 1053.51 1554.01 1913.54 3115.91 3313.56 3046.11 3673.65 1859.05 728.95 3072.29 3084.75 942.17 3713.97 3876.66 4541.75 2598.59 2590.12 1025.11 1887.01 3026.47 2344.27 3823.17 4853.84 1338.72 1595.86 1831.15 768.33 3610.9 2217.98 2224.78 2434.21 1505.4 2102.93 3089.32 728.15 1874.8 1166.92 2410.92 2949.96 1817.81 2331.23 2372.59 1721.94 1915.53 2059.42 1353.18 1463.16 2564.59 2800.2 1669.77 3396.47 4217.86 2422.88 3091.42 2991.09 2902.58 2213.54 3010.86 1525.19 1161.83 1641.22 3401.61 7308.76 5159.53 7177.99 4965.45 3801.08 5930.58 5934.99 1195.1 7689.9 7735.61 1160.37 11690.78 7753.26 5572.27 724.9 4439.92 9534.7 10191.09 6479.17 2253.09 2208.32 2227.95 2221.2 2109.93 2320.95 2177.92 2123.45 1451.16 His-Glu-Tyr 5363.47 1055.42 1515.43 1327.47 8924.31 2105.59 2421.72 6789.84 8337.88 847.97 2478.62 9742.28 5495.6 3969.33 4217.48 1044.99 406.59 4661.22 4193.9 8144.34 9413.23 991.08 1764.01 1484.03 5756.68 1132.06 3575.08 1026.61 1474.3 3691.62 5930.54 2315.05 453.58 678.67 753.54 4326.36 5554.25 2624.32 631.62 766.13 13005.1 12214.98 2101.04 1638.75 11833.17 6948.12 13394.74 5887.92 4202.63 9231.1 7891.39 2407.14 759.76 3450.33 4748.71 4200.13 1719.13 1445.29 2097.89 3250.84 368.03 985.22 1753.46 2097.9 632.83 4643.84 6843.52 7641.75 7629.28 5467.88 4953.11 1083.7 2938.79 3537.42 6928.21 5664.97 5588.16 5805.4 5505.09 5493.87 5532.97 5450.28 5506.17 5506.12 1,8-Bis(4-hydroxybenzyl)-4-methoxyphenanthrene-2,7-diol 1034.39 974.29 2137.99 2026.83 490.98 924.34 2500.47 685.57 2124.7 2428.87 1521.35 1916.67 728.77 2728.88 590.5 704.56 2738.71 1793.43 2403.04 16562.63 697.79 567.65 3081.47 2620.12 2108.67 626.03 2106.69 1847.97 646.88 1540.5 749.88 2263.12 946.3 2462.18 3061.86 577.22 2240.6 1701.46 2449.72 2428.22 486.1 547.74 3566.43 3181.71 1022.34 2877.33 1678.12 3269.04 1290.43 1793.35 3937.97 3053.37 2907.34 2389.19 1972.04 1870.15 2470.86 1976.21 483.78 1210.38 2048.59 2871.64 1649.53 3688.16 2134.07 2063.64 1082.24 2492.03 2378.77 1657.71 1494.34 3161.96 1922.31 4226.77 1345.55 2182.14 2299.48 2266.52 2297.44 2214.76 2272.22 2471.09 2277.37 2219.58 (2R)-2-azaniumyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)propanoate 7424.46 15307.22 2431.66 16009.58 11018.61 14633.05 18354.87 10528.34 4055.32 13523.57 9523.25 16134.86 20198.68 17019.34 12306.59 9581.12 6042.96 3445.88 20973.97 4159.37 1703.29 17188.64 13998.45 19994.92 12898.43 2268.38 8133.9 10824.37 19845.1 4973.29 997.64 15862.66 14450.47 14510.83 16121.69 15254.01 7248.16 5804.3 16916.7 14884.85 2346.64 8479.15 17309.23 12102.37 8926.39 13174.02 11810.97 22974.63 12323.66 12764.29 7335.96 14050.43 16222.03 15590.16 10111.56 13289.28 5062.8 6714.32 8705.23 8336.14 17385 21585.61 8383.29 11189.2 10724.81 15706.85 5014.78 13486.73 13505.08 8395.69 7869.31 15955.28 5609.68 17651.24 12896.35 13338.25 12641.66 12824.07 12870.88 12771.57 12877.52 12643.8 12875.06 12616.7 2'-Deoxyuridine-5'-triphosphate 1149.19 1361.94 2548.1 1977.73 1624.04 623.22 2231.73 1453.69 1413.55 549.46 1706.82 1954.78 5434.59 506.07 1136.16 2514.3 1709.45 1243.43 1251.27 858.95 1002.76 3933.81 3069.48 1909.07 1395.16 1111.94 1673.71 1452.28 2203.88 1697.05 1309.61 9307.83 923.02 3913.27 2541.1 689.24 1317.51 709.05 3536.48 2147.27 4552.87 2185.96 1302.03 3274.02 1153.93 5312.93 1361.18 1493.43 914.99 678.45 452.46 480.69 1900.31 4072.41 3536.47 770.22 3689 6046.67 577.41 441.59 1191.56 4122.37 858.15 3021.66 1138.95 2152.46 1192.23 2624.68 3263.04 1003.09 620.07 3244.11 1792.11 2327.16 845.12 1650.53 1401.57 1135.3 1169.71 971.43 1730.9 1332.78 1520.69 1259.07 1027.75 1104.97 1924.42 1582.68 845.12 834.56 961.65 852.74 1642.52 1206.47 1696.69 1821.81 2283.96 1673.21 1884.58 910.82 1901.93 1102.29 1937.85 1952.86 1992.34 1886.65 1852.44 2357.05 2026.62 3abeta,4,5,5a,6,7,8,9,9aalpha,9bbeta-Decahydro-8beta,9alpha-dihydroxy-3alpha,5abeta,9-trimethylnaphtho[1,2-b]furan-2(3H)-one 5878.02 16244.8 8871.39 3401.42 4746.81 39817.84 2902.04 4969.11 4625.54 6718.25 5102.84 4809.31 2378.64 5097.86 1058.26 9137.61 1188.91 4809.72 4844.08 23410.32 2236.58 33099.31 1593.2 3524.61 1717.9 21058.32 6949.48 1201.68 1846.22 2340.31 6235.94 6483 1431.17 7689.11 7035.17 6928.96 5883.11 14932.87 6562.33 2253.27 3981.16 13841.23 12991.6 7162.61 2460.92 3661.01 8130.56 7103.64 6962.9 6158.39 6143.22 4612.83 6256.31 6703.92 6698.82 13459.63 8587.19 9539.93 5318.5 15147.3 3049.48 5541.2 6463.82 4642.26 9472.71 5783.24 13534.91 928.49 1682.61 5230.48 8313.83 7014.11 6546.47 13622.28 2555.97 6134.51 5888.5 5938.43 6270.64 5863.8 4215.76 5941.5 6224.77 6048.82 4-tert-butyl-N-[2-(1H-imidazol-4-yl)ethyl]benzamide 5001.61 5973.17 5418.96 6429.34 1662.68 3634.81 4716.73 5985.96 5236.89 5048.76 3967.21 5064.73 7932.84 7970.72 6338.87 5452.19 8492.08 1860.85 5161.63 2810.3 2726.95 3955.7 4782.32 6152.92 5936.25 5834.07 6767.13 7125.44 6010.7 1053.62 1596.65 7432.07 1888.93 7500.7 5549.32 5062.84 5186.85 4915.95 6831.68 6374.48 2228.71 4631.8 7487.01 6292.48 1191.07 4325.77 664.12 5825.59 6073.57 7428.02 5737.14 7582.69 6768.12 6797.53 2638.82 5133.46 5932.05 5449.97 4865.71 4015.44 5827.13 7363.94 5578.91 5599.03 5247.48 4496.95 1033 7270.78 6242.23 2936.71 3810.99 4951.99 6429.61 6578.18 6938.04 5377.44 5570.66 5378.56 5577.58 5406.31 5570.13 5603.45 5473.29 5650.57 6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 234.92 118.83 9.66 9.66 9.66 9.66 9.66 9.66 287.56 217.35 9.66 9.66 9.66 9.66 238.17 160.18 9.66 48.3 198.98 296.64 173.73 9.66 9.66 9.66 9.66 9.66 96.1 70.59 220.67 164.24 9.66 9.66 189.5 9.66 9.66 9.66 9.66 9.66 9.66 9.66 9.67 62.76 9.66 9.66 9.66 9.66 293.9 197.51 9.66 108.62 52.39 9.66 9.66 9.66 9.66 9.66 9.66 9.66 112.64 9.66 9.66 9.66 59.43 56.13 86 85.68 9.66 174.49 191.12 264.16 376.47 68.27 232.15 61.51 9.66 100.42 99.32 107.45 97 114.69 93.31 97.05 106.9 106.04 Quercetin 3-sulfate 22390.65 10371.56 27187.43 38088.34 30786.37 37266.39 44574.98 18290.89 22776.81 28470.08 29341.84 34612.1 48301.9 52073.59 19356.01 33989.04 36728.15 21650.42 46151.24 22372.53 19169.39 49797.14 47480.76 46162.07 20437.39 21121.53 32025.88 25746.91 29589.29 39139.24 18949.57 54590.85 17682.54 44687.79 45465.6 21887.83 19796.02 25254.25 48538.82 32908.24 52518.8 42824.9 50969.74 55178.69 31773.06 53118.47 13844.85 34232.79 33651.35 36878.52 30533.58 18734.91 47974.93 49882.18 43750.29 20264.77 41295.4 41294.49 23629.09 40282.13 35355.06 45735.37 19594.36 37770.4 23196.94 34644.04 16924.52 33072.14 25328.65 14838.17 13033.64 51072.73 32407.28 49674.16 46009.52 42479.62 42856.27 42846.56 42743.76 42479.55 42469.5 42468.31 41687.31 43430.13 Pgp(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 392.06 1807.57 809.5 2587.67 4625.44 2539.38 2623.14 4307.9 1162.01 769.74 585.41 2865.56 237.69 1530.35 4367.55 1578.91 3891.84 1322.79 834.76 2162.58 1762.11 925.77 1742.54 1704.22 1654.69 2096.63 467.8 675.08 1416.76 761.62 3534.02 2062.24 443.3 1017.26 4356.03 1091.23 2052.21 2819.08 1543.23 1847.29 2923.78 11790.47 5824.87 3579.75 2408.18 4107.3 7707.19 3902.94 36827.85 10802.08 8286.15 9112.47 3835.72 7486.07 11866.97 5881.07 1492.57 2061.4 2802.46 5600.07 4206.43 3477.25 2515.9 6600.37 4152.68 2895.56 7200.94 4236.53 5087.85 5812.16 3424.51 827.75 8150.7 12832.52 13056.23 7715.56 7796.65 7783.16 8029.74 7796.77 7497.8 7815.89 6935.4 7504.52 Ergosteryl oleate 686.69 480.03 929.67 630.27 1539.33 2061.69 1090.78 3591.37 4162.41 1350.74 2685.35 642.65 704.08 608.64 4470.97 2299.84 1869.95 1513.48 1450.25 751.78 1363.23 1657.66 2469.89 2520.06 644.94 867.9 1555.71 3104.17 1593.35 2268.07 952.06 2438.41 1243.62 1773.01 2461.9 3329.88 6086.09 6012.07 4634.56 4526.98 2801.94 1476.12 1885.17 2882.18 2485.05 1666.23 4596.4 2926 1766.15 774.06 1455.98 2106.05 2374.84 1381.2 3664.07 2580 2374.11 4635.87 3406.77 5101.37 3502.48 1544.83 2849.23 3560.06 4275.92 770.69 3654.57 2959.35 4130.91 3452.97 4745.92 4991.64 4893.15 1911.94 4511.18 2451.55 2407.45 2548.4 1734.45 2554.84 2369.51 2554.61 2556.97 2583.31 (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-(1,3-dihydroxypropan-2-yl)hept-5-enamide 3895.26 4558.7 3492.24 2985.86 4025.75 5353.22 3256.96 1190.37 4575.69 4440.95 2653.56 3156.92 1394.59 3508.97 3859.96 3688.38 3040 965.41 2394.06 1975.85 648.06 2286.59 1571.63 3537.07 1458.74 4536.83 5334.37 3356.83 3192.36 3763.33 4071.21 4963.18 2227.73 1790.55 2627.43 2105.66 4391.1 5651.74 4134.45 3548.73 3348.48 4232.78 3918.75 3282.05 1482.55 3983.2 3426.48 2168.96 671.31 3954.61 4339.17 4151.86 3746.64 3387.55 3297.69 3626.4 3316.93 4663.05 3263.58 1660.23 3783.25 2807.21 3040.96 2619.44 3006.56 1139.88 3679.81 1237.04 3325.64 4407.39 1429.84 4870.38 3066.65 3453.14 4790.44 3359.22 3486.24 3496.08 3490.3 3469.65 3281.93 3392 3214.25 2709.74 PC(15:0/18:4(6Z,9Z,12Z,15Z)) 1333.31 188.48 751.73 590.24 712.45 606.03 911.4 237.59 185.85 299.29 438.22 421.68 213.56 244.26 371.54 325.49 327.98 480.59 130.08 1056.12 638.27 164.16 177.45 135.58 214.73 523.29 292.34 378.82 804.35 376.54 301.54 212.26 442.2 689.82 429.69 903.76 324.88 295.49 370.12 708.46 4456.54 2248.27 548.8 607.82 725.99 5122.48 448.32 456.41 1217.96 600.34 428.21 882.07 191.32 956.55 1543.53 586.49 455.32 165.63 400.76 1453.09 384.6 853.72 668.92 548.84 362.53 1643.95 443.97 343.59 296.69 327.78 290.24 757.76 826.15 1010.13 581.83 7032.16 577.02 556.58 618.55 2491.08 643.07 3061.95 7601.86 6123.46 5923.16 6495.34 5351.39 943.82 5964.09 6253.36 7799.12 6100.47 4485.78 6013.35 6322.12 7078.74 6458.61 2482.83 2262.49 2339.92 2307.79 2285.83 2249.69 2353.8 2088.14 2243.06 1-(1-(4-Fluorophenyl)-1H-pyrazol-4-yl)ethanamine 917.41 3726.19 454.43 4043.27 793.25 742.39 1409.19 1356.62 1945.77 548.25 766.56 580.41 1435.53 901.87 801.52 1416.09 787.89 758.23 542.51 948.52 762.53 2184 1189.94 860.47 701.01 1053.37 1069.34 1037.65 840.34 986.92 647.69 1882.54 799.3 933.82 897.18 520.96 429.06 1004.36 833.69 922.07 670.39 508.17 1212.18 480.68 885.67 760.58 830.1 1103.38 976.97 596.06 579.1 739.4 799.77 800.99 1154.69 992.71 862.98 859.94 2114.92 697.37 1158.6 564.91 1005.29 803.77 637.74 949.54 1656.91 933.14 972.31 869.44 707.08 1150.62 496.22 731.84 4683.64 1270.47 834.78 980.85 1077.44 986.26 1075.12 1020.32 925.82 1088.91 2-Chloro-6-methylquinoline 1837.1 1562.7 5946.54 2703.32 1997.23 1910.99 878.44 774.36 2552.46 1233.17 2866.55 542.34 558.21 608.27 1153.67 791.13 991.82 652.39 683.27 1313.04 1028.64 1090.97 2108.75 28464.67 28003.45 2741.11 1849.43 28360.82 28700.54 1387.13 1844.03 2143.08 1014.72 1214.37 1500.5 944.67 1144.14 757.3 2463.53 888.21 473.36 1226.77 580.16 519.5 700.19 1483.46 1391.1 1008.43 1162.95 619.61 485.4 919.61 1125.05 2553.62 878.4 1154.07 773.42 713.54 430.18 1132.7 679.67 832.11 890.35 1356.69 503.95 871.47 1625.57 670.4 509.56 1391.48 589.69 1234.7 849.56 818.94 2682.47 1293.82 1981.25 1398.03 1785.85 1654.73 1682.09 1421.2 1766.65 1476.09 Neomycin A 2439.19 3184.46 1729.77 1958.71 3754.09 2146.19 555.84 3426.52 3168.27 818.72 1522.01 2775.71 3280.82 3091.72 4025.88 3971.34 1955.63 4654.94 4762.15 6761.71 3154.01 1192.79 2054.84 2646.14 2604.57 2366.78 1027.75 1736.14 3883.52 2669.94 6277.24 6456.1 1583.93 1306.48 1352.51 2959.98 1333.39 1981.15 1597.39 1094.08 5832.34 3984.98 2003.44 1501.76 3985.43 1678.57 3606.29 3618.47 531.88 10914.12 2271.08 2644.92 2098.27 3730.35 3124.7 3971.13 2081.84 2175.08 2452.6 1800.79 819.8 495.99 2431.02 2485.45 2042.84 3085.44 4990.25 2151.26 3441.19 2506.55 1245.68 2271.88 1845.35 3029.16 1841.37 2875.66 2749.33 2841.08 2883.65 2536.08 2761.16 2865.59 2869.28 2865 Pipercitine 21038.99 13179.13 15431.09 7797.88 4231.43 5407.83 7780.98 1926.28 7969.82 6932.44 5242.75 5687.93 8038.64 9865.74 11850.22 3678.45 12144.95 13361.97 10241.81 8235.3 3409.49 4123.66 6504.97 9376.06 12367.93 7023.51 4827.2 12258.33 9801.44 10921.12 10966.52 7217.72 5908.9 2521.12 7599.59 4819.07 6592.19 2500.03 3168.4 1798.14 12330.04 82897.53 3434.43 2636.3 4859 42620.34 6605.49 5247.67 8421.97 20966.98 4380.97 8035.31 1802.83 6904.83 1955.84 8535.74 24995.57 4091.09 5909.52 4741.3 1986.56 5548.05 2384.63 92566.23 4327.61 5104.49 5889.57 2304.14 2157.15 5473.76 7693.32 6290.95 4754.63 6758.71 6247.27 6306.47 4142.35 6850.56 5992.53 6259.54 6862.78 6864.98 7749.14 6966.49 Mipafox 6282.27 1735.79 1487.06 1148.57 9309.68 3106.93 4838.18 8513.03 8103.42 5640.14 3869.49 3923.62 3662.26 4500.69 4354.08 5011.61 1710.79 5779.7 6077.16 6403.73 7979.28 5416.76 2015 4253.25 3291.38 1777.74 5030.38 2569.57 7944.85 2299.5 7611.32 7067.28 994.87 3649.33 2222.27 2816.09 6916.82 5698.25 1816.18 1029.72 6538.65 7433.49 4075.16 3344.01 6695.92 789.15 6311.99 4585.59 3757.29 5647.34 6458.47 4914.32 2334.28 1519.02 5411.7 2367.12 765.83 2347.94 5967.98 4848.81 2823.97 3751.67 4745.13 3792.5 808.21 5920.47 5815.37 3717.31 2622.28 6466.34 2884.6 4738.21 3163.17 1343.83 4279.59 3725.97 1468.73 3700.19 3942.9 3686.6 3999.68 3802.69 4311.77 3815.72 Pro-Val-Thr 5167.36 6261.85 948.54 3737.94 751.34 1145.93 3749.91 6164.55 6053.4 4389.03 1837.53 1435.24 5216.59 5970.18 3671.66 4977.99 3539.63 2791.03 389.96 9907.01 3668.59 30951.47 1170.64 4387.26 9636.05 11295.78 4111.35 5908 10830.81 3305.77 432.63 9026.92 3752.81 5277.43 3371.92 5235.58 8769.14 455.24 4977.4 5481.86 5904.79 3908.73 7815.84 3329.44 8173.31 2688.65 2530.01 4602.58 4144.08 1960.44 3600.69 3355.46 5578.86 636.1 6268.64 4444.18 5896.23 3769.9 3755.53 2311.39 3188.41 5368.43 3763.36 2631.59 2527.85 7059.34 687.11 5334.03 2856.84 9932.43 3480.74 7180.24 2526.04 5940.91 3684.28 6057.29 6325.8 6597.17 6254.72 6628.27 5393.21 6173.87 6498.11 6503.77 (1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol 2532.97 3098.83 2664.14 2632.15 1252.05 2225.15 3321.3 5665.53 1898.63 3186.75 5067.8 2386.07 1966.77 2279.58 3381.65 2542.18 2133.55 3135.68 2323.77 3009.85 3588.54 2716.9 2467.68 3160.56 2312.23 4004.76 2975.67 2749.19 3904.32 2906.36 2844.53 3204.82 2379.23 2913.9 2889.03 2607.74 3559.66 3022.15 2691.14 2331.04 2143.94 3026.62 2643.06 2548.88 1810.53 2164.11 2729.9 2988.66 2404.67 2509.88 3092.33 2581.09 2519.25 2560.49 4957.41 3171.69 2996.98 2832.9 2949.41 2828.31 1712.32 2243 3665.8 2615.12 2979.2 2563.64 2359.53 2792.37 2059.51 2077.23 2875.79 2133.08 1449.25 2479.7 2568.57 2702.4 2870.56 2805.37 2784.57 2788.35 2845.34 2843.45 2843.06 2788.64 Ribosyl hopane 10161.32 404.41 339.58 435.02 506.76 823.11 379.94 581.22 814.17 1123.12 7723.42 643.49 2975.07 10320.4 2109.94 2320.33 2120.6 3377.14 1409 3196.99 2430.68 646.82 1226.08 9504.18 11330.72 11311.85 364.95 375.58 12421.5 525.96 401.88 464.19 2474.46 2071.21 1052.24 1915.06 1351.59 1968.11 1506.24 1270.32 3441.21 5460.89 1195.88 988.27 3972.42 2020.23 2298.61 1704.88 863.91 5287.35 1495.69 2113.89 1463.46 2211.37 1692.2 2958.75 1427.74 824.4 1213.61 2036.31 1321.11 986.02 1495.9 1292.56 836.03 1600.45 5589.74 1242.54 1243.27 1689.63 1450.24 1121.35 492.88 2953.79 2787.24 2525.92 1661.23 2466.72 2419.61 2522.23 2537.26 2519 2423.06 2527.61 Chromopyrrolate 1329.44 3763.75 3935.98 3912.09 433.91 7104.25 1201.4 668.45 547.53 1917.15 1216.55 1098.09 4702.61 3375.06 982.35 588.04 3451.19 1462.04 1848.06 592.74 1315.4 660.79 2702.97 7561.47 1281.03 3286.68 2168.55 952.87 1148.23 2199.49 423.37 2218.37 1428.89 8366.68 3294.18 941.22 1005.21 3826.25 2238 591.6 469.47 714.69 2356.17 881.67 715.01 1014.34 513.01 1213.69 1599.51 1123.95 943.73 8483.78 2201.56 1831.5 1237.98 3012.51 3858.55 3892.5 1231.74 2156.71 1813.04 8436.1 2899.08 3055.22 2075.54 1403.61 934.92 1709.44 1327.21 1295.56 486.12 1227.03 2149.81 5243.76 2586.01 2060.75 2401.57 2603.71 2463.28 2426.07 2408.31 2398.38 2463.57 2447.18 Lauroyl peroxide 3494.23 966.21 761.4 1982.93 5220.9 3438.63 3552.99 3638.15 2497.25 2648.56 4278.42 2866.55 24304.75 3240.04 2571.78 3182.97 1781.84 4814.45 13560.86 1805.57 7605.17 2911.83 2301.98 3657.76 2567.74 6558.58 3596.22 2637.27 2730 3633.8 2347.01 2832.9 3511.21 5653.44 2736.47 1758.99 5750.87 2893.41 3440.99 5159.22 2674.77 1251.65 1134.7 1896.26 3547.07 2829.19 3284.32 3082.09 3805.44 2694.29 6613.45 5866.29 1095.1 2226.76 1038.87 4641.38 3128.12 11982.94 4361.41 3117.49 5920.06 3834.05 12084.53 2292.22 4281.97 1758.13 4849.78 4920.81 6827.72 2613.5 6999.01 3402.56 4553.83 3187.4 1102.02 2437.6 2273.68 2433.58 2463.79 2196.38 2278.97 2385.51 2462.8 2298.63 PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 754.35 804.25 578.21 596 2248.24 589.17 2341.87 2195.71 568.51 1563.44 1792.68 1653.53 2205.67 691.28 1328.38 2022.6 1602.06 636.96 1957.07 678.77 1664.48 548.69 1739.48 1187.43 1391.26 1102.46 1108.46 2725.87 2590.89 1116.1 458.1 1368.84 548.06 7801.03 9341.59 10639.34 7919.01 6489.67 9533.33 9956.27 9667.67 7008.66 6094 8633.85 8955.7 8736.41 6633.47 4442.42 5303.84 5680.82 7589.6 1107.85 3245.88 5662.72 3999.03 1454.16 2660.1 3267.06 2939.38 718.57 2399.23 6026.46 4202.39 2308.25 3843.06 2852.14 903.37 7306.6 6645 3053.57 3628.83 2818.75 5219.27 21201.47 12225.57 3186.56 2819.88 3079.43 3293.04 2976.43 3191.37 3209.78 3353.49 2811.54 PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1430.79 491.03 1058.64 1044.47 1411.4 391.32 2369.79 1649.26 1355.71 851.48 2327.07 1165.57 1301.92 1164.46 520.79 360.06 1235.71 696.98 1348.33 907.58 885.4 1124.12 1231.81 998.83 1815.96 890.18 4044.51 1066.24 1486.12 2110.11 506.65 832.2 663.56 10685.72 8407.17 9062.63 8039.82 675.32 7702.94 3413.72 2700.44 6001.74 8499.79 6274.32 5086.68 4530.12 10852.98 8407.24 3609.18 5101.78 4617.66 3283.96 9449.42 4751.91 5468.9 7922.08 4240.95 6460.62 7084.95 2289.11 5955.12 6527.89 6267.75 8413.01 8786.61 4826.61 5403.76 7953.75 5514.5 9991.47 7490.79 7022.25 1739.78 3557.91 5312.09 6813.06 6821.36 6606.82 6601.65 6712.62 7039.19 5748.56 6624.67 6825.02 Myxochelin B 3791.93 1320.77 915.74 1744.85 926.11 5813.21 786.17 6723.98 3909.73 487.91 801.12 6392.68 5428.99 2910.49 1302.67 1804.35 1838.94 1466.34 2001.77 2725.8 4073.37 1709.67 505.11 2006.63 4255.57 720.76 2176.97 1125.9 4652.66 4572.01 6587.01 689.85 1650.22 509.2 670.07 2255.04 4185.74 826.48 2097.6 10259.04 5056.97 8387.93 1217.47 1458.72 1593.12 1186.16 1078.12 1340.77 2254.8 1348.76 5525.07 1910.88 1644.3 1624.03 2187.83 2257.99 1565.72 1654.35 2698.78 1973.74 488.85 527.95 1582.26 1901.66 1518.74 3392.97 4079.98 1176.8 2629.5 2712.89 4089.86 2599.98 1360.85 905.02 1693.07 2105.39 2205.7 2125.12 2174.19 2083.92 2208.93 1550.54 2238.48 2152.39 13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate 247.07 190.58 79.98 10292.25 15006.63 21730.27 29361.62 276.44 142.04 148.48 163.26 98.76 4945.17 32.39 130.83 1768.79 52.55 92.84 41.76 125.01 43.49 48.77 196.37 42.59 124.8 142.27 39.09 606.52 874.34 279.32 135.25 1257.08 31.46 333.41 413.3 124.62 82.32 952.61 788.73 143.76 8573.4 86.32 392.64 202.01 59.53 6340.25 163.18 350.99 453.64 361.34 142.76 35.04 521.61 225.96 1521.55 56.88 142.95 43.32 70.29 940.8 123.94 257.57 51.08 47.05 55.22 297.15 142.96 157.95 67.96 43.76 117.12 139.83 348.83 933.1 1581.86 3195.89 3283.64 3177.72 3171.72 3171.42 3171.48 3120.62 3171.77 3196.25 3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole 2356.88 1035.98 1267.55 1211.06 1903.81 1219.98 1330.41 2892.82 2408.42 2209.39 878.03 1598.78 1136.02 3568.25 4783.42 881.69 2484.69 6629.13 4963.59 463.28 2574.33 3728.48 1086.29 1160.5 1649.09 1083.2 2053.82 3440.52 2066.51 492.1 2017.25 1774.06 4039.42 2231.55 1146.77 4093.27 6314.84 1828.87 720 1094.57 1270.36 5389.75 1583.72 2517.58 2488.22 1236.56 2221.24 5112.16 1378.61 1185.48 1305.93 813.03 3036.12 1329.2 752.66 1318.34 1178.31 424.26 1956.9 1399.92 1593.91 798.02 2171.57 3363.93 3635.28 1883.07 2827.32 1618.49 1866.79 5741.08 788.65 4788.7 4173.39 1617.08 1318.07 2181.4 2669.89 2499.47 2774.12 2720.87 1891.26 3133.66 2528 1839.21 (2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid 8474.19 8612.67 9367.29 8649.63 9635.09 5253.64 17508.11 22330.86 9447.89 10285.13 6182.27 6942.9 10676.4 9391.08 6461.67 9018.61 6855.16 9125.66 11387.66 6928 19694.33 5846.58 7814.29 9199.85 11405.32 9821.36 9774.57 10381.61 10793.19 5944.57 5998.62 9555.5 6753.67 7416.34 5246.54 11072.31 8050.83 4376.21 8115.92 6237.6 6338.14 6558.79 8926.86 5946.19 7982.2 4612.46 10219.13 9338.96 4775.62 6904.39 4958.79 7869.77 6901.35 4958.52 12114.86 6233.25 6567.6 6241.65 8124.78 4260.75 6792.54 7546.71 6856.07 7600.7 8087.51 4335.01 7392.4 10556.06 7415.56 9481.81 7020.08 6950.36 3814.82 6009.63 5586.04 7194.22 7040.99 7016.86 6913.2 7061.45 7047.97 6998.65 7034.77 7193.32 N-Cyclohexylformamide 3780.45 4788.12 3376.65 4410.86 4339.04 3973.57 6121.58 4031.47 4041.66 2967.23 1575.77 3701.43 5316.83 3056.75 5762.75 3860.87 2618.32 3188.33 3228.62 3897.82 4601.69 4967.35 2313.13 3627.98 2205.69 3156.99 2948.63 2459.8 916.69 521.66 2083.31 3028.61 3895.23 3122.07 3379.35 2024.44 806.5 2651.79 2706.79 3008.61 1168.63 2262.53 3834.34 3532 3613.57 2364.72 3263.14 4755.08 2201.93 3335.73 1241.44 2954.35 3097.98 3017.65 2936.9 4420.02 4588.38 3277.96 2338.34 2328.72 2949.95 3356.33 3283.88 3101.91 3230.05 2734.88 2885.48 3748.11 3013.83 1893.12 3039.1 2793.01 2429.7 3534.08 3240.12 3340.31 3297.82 3702.11 3208.89 3366.49 3295.54 3295.17 3367.22 3325.99 2,4,7,9-Tetramethyl-5-decyne-4,7-diol 2471.09 3172.84 3091.52 3740.02 3217.07 3328.54 2869.22 2849.43 2854.11 3391.7 3552.05 2724.24 3559.05 3347.44 3525.33 2592.81 3342.01 2788.37 3252.61 2934.15 2923.38 2663.85 3191.98 2915.07 3221.66 3449.48 2998.71 2616.86 2434.52 2774.11 2462.72 5770.35 3170.02 3161.42 3281.75 2880.45 3030.36 3847.66 2966.37 3217.42 3182.91 3613.36 2994.68 3191.65 2777.68 8455.83 3205.47 3808.61 2971.72 1965.75 3386.93 3889.93 2624.08 3588.22 1030.66 3742.42 3608.45 2717.56 2887.74 3374.68 3028.34 3484.17 2923.13 3425.78 2594.69 1386.98 3944.38 2301.53 2616.03 3532.03 3557.18 3209.58 2742.07 4651.79 3924.51 3117.62 2934.01 2975.17 3256.99 2946.26 2981.47 3118.17 2198.22 2968.06 trans-zeatin-O-glucoside-7-N-glucoside 3673.51 14544.01 4259.67 5215.67 2514.54 17214.75 4366.6 17920.4 7866.42 6769.47 1060.44 6517.41 3428.34 600 12405.99 913.82 734.54 6077.34 2641.03 7687.9 14458.91 14429.16 2418.84 5951.03 11883.04 3075.01 4255.12 5780.64 11134.32 5040.93 2194.22 2429.8 6074.63 4090.45 2494.7 1672.23 10959.94 13085.55 3135.89 4346.55 562.83 7851.45 5235.57 2770.81 7765.67 3335.35 7319.55 860.82 4698.52 9232.73 18105.47 8655.88 3566.83 8179.78 7716.01 6017.01 1619.57 3331.43 14734.56 4928.86 510.91 2654.07 13182.32 1022.25 6808.04 1456.11 17190.55 1192.99 3182.58 4594.42 2933.04 2669.35 543.35 2479.09 504.13 2521.36 3952.36 4680.99 5517.4 4733.86 5344.21 5532.28 5098.82 4866.54 6-{[(16S)-5,7-dihydroxy-8,8,12,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-10-methylidene-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 364.78 348.3 792.19 320.27 2828.14 3061.48 980.54 845.07 1429.48 1220.87 406.79 444.22 1317.07 4988.01 602.78 414.48 270.17 1701.22 7988.7 326.75 1390.81 878.08 213.87 284.63 647.25 1199.1 334.35 403.23 1061.45 304.24 591.21 2906.71 448.45 3270.9 2335.25 3661.33 3274.76 3169.57 2343.24 3002.85 8678.1 9471.44 2809.47 651.3 7678.99 3172.01 6596.52 777.67 6752.29 12384.35 4142.74 4238.49 3031.77 4727.34 3090.62 2742.64 289.07 2092.09 2588.3 2296.99 1851.98 1628.13 1146.82 2634.41 368.92 4741.65 5742.45 3840.32 1074.94 1809.76 5191.56 4995.33 4154.38 4107.43 3945.18 6124.45 6459.61 7086.45 6453.57 6467.74 6346.16 6256.63 6092.82 6470.9 L-Agaridoxin 4668.59 8546.36 5740.94 5605.56 13179.79 11413.24 15387.26 10842.11 11257.34 5178.93 5742.27 8402.67 2957.56 5372.08 3507.24 10402.46 2161.07 3452.12 8877.45 9171.15 8522.89 744.54 1396.83 3885.83 4766.82 9616.48 7382.94 2501.11 11008.47 4140.93 9054.78 1963.47 6461.77 7559.32 6198.03 6910.36 9057.53 4389.3 6068.84 5045.57 9955.12 11888.23 3872.78 1676.47 10950.46 7126.42 9941.62 4594.9 4133.8 10619.86 6510.41 5549.81 3782.49 8246.18 8790.76 7492.97 6220.27 5599.14 11674.15 7301.75 4922.09 7609.07 9421.07 4335.37 5877.09 11207.18 8987.27 7525.44 5721.12 6029.71 8333.7 4028.65 4380.9 1820.18 8192.11 8128.98 8418.23 8150.9 8129.96 8137.52 8319.3 8434.04 8899.79 8461.78 3'-N-Debenzoyl-2'-deoxytaxol 3658.38 5908.93 1398.49 2674.07 7545.69 9062.5 5621.39 1783.88 3517.98 2343.93 1971.31 442.46 2865.28 3606.11 5046.73 1313.27 1894.95 3532.52 3122.6 8343.67 5699.64 3660.29 740.42 2963.5 501.94 3457.34 1041.03 984.99 4390.09 898.33 2347.42 947.23 416.75 1468.27 1098.79 3690.22 2005.2 802.5 1058.42 2402.75 911.97 1579.38 1407 883.64 1333.7 2522.87 3442.13 2527.61 534.41 1862.28 3636.31 1656.47 1881.24 1622.24 1887.07 1294.42 1091.82 1867.58 2370.14 856.55 1408.54 1446.52 1433.5 1055.48 1019.04 2474.55 1463.13 1749.69 2384.44 2650.5 526.04 436.27 2095.29 2470.24 2832 2458.61 2470.75 1658.38 2234.82 2467.08 2049.87 2223.41 2472.34 2627.86 N-[2-(1H-indol-3-yl)ethyl]benzamide 1848.15 2875.46 1326.46 2945.83 4576.41 2029.6 1761.11 1817.8 4200.78 891.65 2368.52 1912.33 1240.06 3271.52 1892.15 1051.56 867.71 1167.89 1738.01 1821.87 2200.74 1145.6 518.46 2878.58 1534.39 936.33 3630.94 4538.9 1612.51 3114.75 1302.41 7700.97 977.09 5237.28 5373.06 3296.21 2286.79 2250.22 2910.51 2632.69 935.14 1982.25 3866.84 2384.56 1664.51 1593.56 1184.65 4495.13 2556.84 5961.85 1766.97 723.15 4829.38 4756.06 2291.85 2420.27 2626.83 3671.52 2559.6 721 3880.79 2026.03 846.39 1201.41 7021.93 838.15 818.08 6028.61 4141.8 872.77 1307.05 752.77 4407.23 3368.08 3969.1 2468.89 2131.77 2388.21 2470.89 2446.48 2564.13 2476.56 2413.37 2011.36 2,4-Dihydroxy-3,5-dimethoxybenzoic acid 1338.32 3065.54 2257.62 3189.02 1956.39 3939.94 562.07 3448.72 1736.51 2889.56 2347.95 1963.37 2855.34 3035.81 4963.18 3445.62 3112.06 1340.25 4257.55 1819.9 1987.18 970.25 2320.08 1999.32 3813.36 2322.03 2056.17 2189.84 2804.92 1928.85 1435.19 3038.63 1755.39 2483.64 2535.13 3036.96 2130.39 1600.78 3254.87 3081.39 1582.74 734.32 3734.37 3136.03 1766.59 1156.58 3218.54 4195.25 1380.39 2038.78 896.69 2318.53 2337.05 3506.85 1899.56 2656.64 3301.18 2659.97 3239.7 1855.42 1683.23 3482.18 1925.63 2030.32 1748.74 3107.67 1740.39 1651.92 4008.73 2724.9 627.43 2285 944.44 3615.35 2303.99 2015.65 2172.05 2037.78 2108.86 2022.74 2199.34 2197.75 2055.13 1448.41 Phosphonatoformaldehyde 1784.31 1184.96 824.43 1955.76 811.53 1314.06 2724.65 2636.32 2546.08 2929.12 3502.07 2248.09 1157.25 3207.68 1064.42 675.28 1453.49 3435.6 920.56 2537.03 3646.6 1426.58 2550.33 1307.4 3073.38 2824.07 1601.58 3036.79 703.43 2392.4 2027.73 2471.44 2863.57 2626.53 3407.27 2632.39 3129.58 3136.08 3383.84 2914.31 3819.84 3037.55 3337.56 3150.94 3588.79 3098.76 3392.97 2778.35 2895.73 1948.31 3363 2843.56 2771.72 2316.41 3131.86 2547.5 2601.71 2920.62 3249.5 2007.54 3290.06 3473.26 2879.08 3166.89 1560.89 2374.61 2760.31 2861.57 2894.29 2480.05 2388.56 3009.73 3479.95 2620.62 3137.66 2525.03 2922.16 2963.29 3147.25 3071.55 3012.9 3062.77 3061.07 2968.75 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycerol 3-(2-trimethylaminoethylphosphonate) 12471.89 12052.32 12124.04 459.9 908.03 25101.58 1772.06 528.76 13934.16 1000.37 9554.5 629.46 1038.44 12760.49 2602.72 2604.32 2515.36 4170.43 2888.81 3948.38 3001.4 794.9 2255.09 470.66 1865.97 1381.57 567.35 2419.47 15138.86 11411.41 496.23 2226 2908.33 3160.49 893.21 3553.21 2546.9 4618.88 940.28 1618.5 7791.32 3992.25 2021.44 1328.34 3325.74 1268.42 3270.58 4571.86 3153.27 8336.85 3745.34 4370.67 1494.49 3312.74 1825.91 3848.3 653.87 928.21 1463.96 644.9 1211.35 578.86 1969.73 1860.57 1294.8 4167.25 4305.68 1515.53 1671.05 1194.1 5107.98 1747.53 2619.09 3456.43 2068.6 1417.5 3220.35 3310.29 3225.5 3121.94 3098.85 2977.33 3029.07 3249.82 Pgp(16:0/20:3(5Z,8Z,11Z)) 405.01 704.03 537.55 12299.15 5510.23 3320.86 11135.76 459.43 5569.2 7717.65 2010.05 1993.76 2375.81 3119.98 583.57 1013.61 10306.73 1971.68 5561.61 422.38 6373.04 12206.65 4043.67 1586.68 710.59 1074.49 3310.26 10493.18 3853.99 1850.08 426.55 6455.66 467.77 15004.53 9156.6 6182.77 12909.46 11245.9 8598.79 7448.46 19504.9 11167.27 7514.24 8029.58 8146.23 11497.24 6033.44 5572.67 4440.93 4978.78 9993.07 13784.53 6314.11 8108.51 8310.7 12905.7 7500.53 6346.88 11471.14 13605.16 8126.08 9274.91 10178.79 8578.61 6338.48 10698.64 21364.11 4990.64 7401.1 12152.01 11943.66 12833.37 8571.1 10814.13 10104.72 11412.19 10836.25 11029.05 11031.84 10840.04 10832.13 11007.47 10128.51 10955.57 SM(d18:0/22:3(10Z,13Z,16Z)) 3591.81 948.07 436.79 1506.76 1178.2 1425.93 360.39 344.33 434.08 3710.62 1172.98 1268.36 2163.38 300.55 4503.27 1135.6 1105.85 1123.62 6834.08 980.22 658.57 822.83 1746.08 350.17 933.69 338.22 1279.04 1876.6 7360 538.14 1191.96 880.07 11422.13 13660.35 6844.87 14026.18 15559.66 6709.85 6762.61 4676.36 2192.57 9854.02 11099.03 4503.51 8731.07 6378.38 9913.75 21870.05 18087.53 10120.38 10431.02 14376.33 14659.98 15440.95 19457.43 5868.09 15476.36 6400.4 12118.76 1429.35 12486.07 6583.93 12954.85 11672.31 9206.58 7435.57 5077.24 6473.75 6378.36 12286.98 10311.83 9900.08 7874.9 12560.48 10616.06 14421.37 15426.24 15857.89 11995.35 14790.46 15232.45 15479.39 13793.86 13995.15 Glutaminylthreonyllysine 4693.12 3494.76 3043.59 3195.97 4250.26 4824.57 3943.52 3795.84 4670.45 2199.03 2970.46 3295.57 2318.47 3415.51 6750.44 5600.81 2756.47 3486.05 10548.44 9346.6 1861.92 2095.64 1501.14 4030.86 4863.17 4026.57 2647.4 2627.47 2758.42 1037.98 9192.05 10057.82 2259.19 3038.18 1041.62 3715.92 1258.11 639.08 717.46 3132.8 7681.4 3740.44 3031.01 3429.21 4829.41 1138.16 4707.26 4625.18 2488.74 17258.53 2552.69 2961.74 3056.99 4687.97 3588.58 6231.92 3179.42 3763.85 3234.99 2700.99 1938.6 1587.05 3086 2124.2 2949.04 4902.05 6691.93 2455.56 3675.56 4774.61 3391.92 2949.33 1459.05 5088.38 3457.87 3892.33 3945.53 4022.22 3627.33 3997.35 4001.26 4079.47 4008.88 3872.53 Lemairamide 3144.68 957.25 559.47 718.91 15386.87 1343.18 782.2 2754.63 4117.81 3552.44 2394.71 7665.44 5683.31 4076.41 5431.41 3337.42 2809.23 3009.76 12563 6828.38 2304.71 7038.67 497.82 806.64 2957.9 2171.21 903.1 2035 7873 8385.54 6940.12 2694.31 4005.82 2962.43 1209.2 1196.41 3238.46 1640.91 1109.51 1434.74 5215.26 8850.74 976.23 3640.34 6870.14 6194.32 1793.64 801.54 7439.22 3931.67 3193.68 3302.47 2642.73 2767.18 3803.28 1629.28 1508.26 2493.12 9696.62 6243.45 2304.5 3271.9 7290.56 4534.72 842.09 7636.46 1492.32 5126.41 4079.35 885.05 2349.38 3114.11 3209.22 805.37 4618.51 3503.51 3764.4 2845.84 3567.49 3499.65 3780.22 3634.25 3808.54 3574.06 [1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate 1442.71 2623.76 2429.86 1745.59 6623.49 45585.02 15062.62 5377.74 2625.67 5485.03 950.31 5023.87 3600.42 2694.22 1382.5 1704.04 1576.6 2621.22 4124.08 1680.88 3288.54 1879.17 549.2 684.01 2161.85 858.25 2043.26 724.66 5121.68 3887.85 3012.4 44912.15 2456.8 1422.42 420 3436.05 814.95 2280.43 1615 5151.51 6593.34 1904.87 4045.93 4355.65 1499.17 810.75 6216.39 3961.83 3552.86 1144.67 4313.55 2909.69 4842.08 6061.38 2527.58 923.67 3352.88 2617.83 1944.56 4267.11 447.87 844.39 2437.87 3652.28 1941.98 2055.22 558.36 1672.62 1257.38 5380.73 2163.65 4840.85 1797.74 2922.83 1120.04 5738.15 5907.66 5359.7 5347.93 4984.22 5612.51 4828.27 5446.51 6081.3 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 4358.44 341.53 592.35 12580.66 972.47 295.42 2849.51 187.07 703.39 731.8 1646.28 985.39 4265.21 806.62 234.16 7297.29 1158.89 1018.01 1129.08 735.32 230.98 1597.52 766.92 540.3 705.94 180.28 1026.33 1153.79 526.5 3232.23 627.8 11526.25 849.5 2129.34 3217.32 775.6 202.56 206.23 1026.51 501.45 6542.86 7728.45 185.5 171.67 513.23 31120.38 292.17 342.47 552.59 4944.45 524.51 471.6 532.26 1979.7 425.94 223.4 1007.68 1113.42 794.55 673.41 975.28 312.5 671.69 333.19 1173.42 5922.79 555.82 1078.57 839.84 195.56 234.96 286.63 1065.99 5149.31 3039.32 3016.83 2746.43 2895.87 2764.6 2859.52 2916.26 2915.49 2872.32 2835.16 Cis-stilbene oxide 2150.22 1474.97 992.59 1573.68 4409.72 719.09 2862.75 8885.25 11142.37 3839.73 520.88 1368.09 1465.91 2302.35 4459.96 3773.53 1659.88 6399.6 4769.01 8427 3590.46 2547.27 2249.75 1268.41 3651.44 10897.14 2717.03 4312.64 4327.37 1264.05 3674.04 1731.41 4062.65 2208.19 2698.98 7332.78 9104.87 2003.88 554.67 1408.67 14167.82 1649.55 3046.05 926.45 1742.1 3359.11 944.19 2567.59 2028.52 3656.55 2579.66 1372.25 2384.38 2490.22 3621.84 1842.74 1861.07 1463.67 3302.98 431.77 434.29 1613.09 2654.79 2396.3 1226.52 3957.16 1919.6 2863.2 1790.8 5188.86 4382.8 2540.14 2095.06 2506.78 1274.93 3258.91 3220.49 3184.87 3004.58 3188.09 2999.63 3108.58 3187.16 3049.91 1-(9Z,12Z-octadecadienoyl)-2-pentadecanoyl-glycero-3-phosphoserine 717.55 1236.75 1478.02 1108.2 1640.39 2187.1 3166.27 378.24 339.74 1704.68 1106.87 1793.23 767.27 1112.94 626.08 1758.69 1721.42 1012.67 1506.21 1311.69 1186.51 512.41 326.04 832.64 443.96 1364.52 1371.61 750.96 643.53 1625.78 2573.68 2921.95 354.75 2277.62 1970.78 1587.52 1982.4 1643.67 1604.68 2301.11 1835.47 1768.77 3440.8 4892.64 2177.22 6621.37 2148.42 2363.76 2307.43 6987.41 813.71 1417.43 2960.83 3643.14 612.52 867.44 1474.32 6052.05 1769.82 1006.14 1085.22 726.03 2296.22 3897.51 2883.91 2583.95 2179.8 1446.9 4174.11 1584.94 890.71 2312.41 1521.94 2488.55 2971.38 692.96 2344.38 2550.37 2404.98 2493.4 2607.03 2533.64 2519.63 2972.41 Stebisimine 4347.65 4494.15 6395.29 4420.43 1048.93 4975.97 3664.51 804.25 763.86 1811.15 715.37 1206.07 2064.81 4441.88 2470.89 9865.28 5308.88 4291.93 3817.2 6034.37 6478.7 3816.48 3687.41 2031.91 7221.77 14278.14 3443.51 2793.97 2750.86 4659.95 11741.63 3368.21 3927.89 6342.17 3985.8 5672.91 6234.51 6140.06 2021.11 5935.91 595.42 1522.4 3722.31 3701.92 17064.92 2512.8 6890.97 1891.57 3415.64 4549.42 1288.51 14199.36 3254.98 7127.5 6431.3 4592 3159.57 3795.36 1115.65 8384.23 1786.71 783.75 8682.33 2154.84 1419.23 4934.66 4387.24 3873.59 2239.29 9553.86 5364.77 8671.56 2331.69 7477.78 5008.9 4252.74 2874.46 3862.46 2739.22 4168.29 5469.3 4341.33 4194.39 3801.43 [(1R,4R,5S,8S,10R,13R,14S,17R,20R,21S,22R)-5,9,9,13,14,17,21-heptamethyl-24-oxo-23-oxahexacyclo[18.2.2.01,14.04,13.05,10.017,22]tetracos-2-en-8-yl] acetate 2129.97 1514.73 688.07 3105.05 536.51 1436.84 942.77 3284.81 1114.74 591.84 2504.18 1798.19 3704.67 2176.7 1302.58 5949.6 537.69 1734.19 1492.37 2452.34 2371.09 1957.95 2081.71 1923.02 1382.85 308.59 1522.27 1652.04 1721.66 529.61 1378.39 2756 2588.78 1786.85 2299.26 3753.02 2157.84 753.15 2267.22 1368.14 840.94 5446.3 561.73 962.18 2074.8 8444.15 911.8 2912.22 3303.8 953.29 1853.78 2089.8 427.74 414.95 1398.13 1720.79 788.17 472.17 1457.36 1529.33 3304.03 2128.75 1522.37 1606.46 1661.43 792.27 669.68 1698.6 1741 497.46 669.02 1680.79 596.09 3472.61 2270.2 2630.22 2911.28 2987.9 2852.55 2930.11 2858.5 2873.06 3315.88 2987.88 Gephyromycin 20873.71 21198.32 26396.47 19722.16 23150.88 10776.49 11444.71 21004.02 23771.76 12992.35 4248.99 12063.8 14595.46 17709.78 16398.18 16470.36 13889.57 13919.15 20630.55 15701.48 12490.02 9062.4 12834.25 19973.87 24443.79 23524.76 22610.06 21548.38 24046.74 15832.85 16793.86 20397.38 12014.75 24008.89 18655.1 21905.11 19129.28 6755.87 16488.43 14168.53 12409.03 14453.93 17690.8 14976.61 19637.74 10617.09 22647.72 12261.79 10882.75 14560.66 10931.33 13548.91 17271.99 10453.25 10234.83 17178.31 17100 13836.13 15542.48 7801.08 14168.34 12823.16 15123.23 15115.18 17777.94 16996.93 13261.09 23029.02 18620.06 22042.54 15406.59 14987.09 7265.8 10451.65 14807.6 16416.19 16673.54 16717.33 16522.37 16722.59 16711.66 16552.04 16717.97 16718.41 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid 1895.25 3547.39 555.66 1359.92 6861.41 2689.8 580.8 7150.66 7925.15 2762.53 807.02 2018.21 1379.81 697.92 6225.63 5993.78 1287.57 7648.91 3123.09 8219.57 9878.87 2277.51 675.79 1297.33 6433.42 5795.97 5441.71 1516.13 5568.68 4039.67 2226.28 2542.09 4883.95 1626.12 1201.16 9517.56 4100.98 2087.58 351.75 631.39 6299.1 2570.13 697.69 465.87 1749.73 760.24 6465.41 2878.95 7103.2 3718.9 2156.67 1669.32 667.69 675.83 8593.83 1246.8 573.73 554.88 4629.31 385.05 1953.79 826.06 1269.56 1807.11 2920.98 1471.57 4472.49 1341.04 1997.29 5212.79 6600.91 1257.02 1969.54 937.89 867.8 3595.73 3629.33 3631.24 3627.64 3764.92 3807.9 3594.7 3722.88 3864.28 8-Epidermal glycoside 14228.63 15858.68 17418.14 16676.3 13435.44 14472.93 22608.72 30196.33 16386.42 16375.75 27019.49 15726.54 14437.57 17899.98 16479.64 16322.93 15020.66 16703.09 14719.68 18966.35 21737.98 15045.47 14135.58 14819.5 14800.69 15281.3 13827.88 16138.37 14681.57 5953.04 16776.99 14651.03 15683.94 15355.58 16723.84 13689.1 17335.37 19538.32 15757.3 16960.89 17067.49 15168.85 15507.27 17046.86 15784.08 15905.12 16477.73 18910.94 1140.75 12839.58 17514.99 15242.51 16189.62 16161.98 20713.65 16489.84 15908.16 16657.98 16483.81 16919.07 16789.96 16745.22 15856.28 16728.82 18463.35 16221.41 16011.15 16624.94 17860.25 17178.79 16915.1 17465.35 13470.32 6303.32 14521.13 15034.56 16091.16 15964.58 15899.02 15895.75 16061.43 15983.44 16501.79 15919.39 5-chloro-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one 395.84 492.95 1050.66 1084.55 14818.02 849.93 853.52 1741.07 242.14 2744.94 361.37 447.27 360.24 2150.71 351.57 1168.1 2312.7 837.58 977.86 562.29 1291.21 1240.54 922.95 1459.94 1217.44 332.68 1008.86 358.67 1896.42 1273.24 261.8 245.92 786.49 638.59 373.95 945.62 1417.36 856.13 651.97 669.88 1648.61 1617.01 383.01 1632.76 386.24 566.36 992.27 529.58 649.79 582.04 544.76 419.12 855.09 345.25 351.97 435.17 960.6 505.57 1618.94 1715.52 670.46 1421.69 2089.46 1240.5 742.57 486.26 706.74 1661.94 1626.43 1122.55 2118.08 314.93 979.21 926.78 656.02 1270.31 1681.79 1423.74 1228.03 1226.3 1553.44 1229.65 1456.74 1437.96 N'-phosphoguanidinoethyl methyl hydrogen phosphate 7372.65 7273.11 6570.86 8721.01 5110.67 3015.49 7094.38 4736.29 3713.43 2649.84 687.2 1529.77 3616.77 3855.65 6131.53 1891.51 4785.1 4544.99 909.77 4020.23 993 2733.44 1403.24 5576.04 5895.18 4396.16 4801.84 5038.22 4208.56 4007.95 6834.01 649.32 621.38 4689.45 5587.25 4756.91 6074.21 2789.01 5920.44 4792.57 3347.37 1405.51 5712.38 6253.87 2214.94 3920.73 4968.76 4727.57 1337.18 2229.7 3455.07 5372.74 3497.39 3890.95 2463.7 6470.45 6168.69 5032.39 4560.33 4129.68 5205.37 7168.7 6971.91 5950.43 3646.35 6147.46 2974.46 3700.95 6126.26 4943.1 4064.56 4067.49 6017.14 4000.04 6483.93 3887.97 4234.12 4288.97 4250.59 4357.07 4233.58 4293.6 4277.41 4294.47 PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 5392.53 6999.01 539.26 3960.76 580.42 10387.65 8826.36 6093.94 7088.47 4346.25 2170.85 12038.92 14389.24 471.28 396.46 13592.68 2733.93 696.69 15104.3 6692.95 691.1 13433.48 9808.08 566.84 486.16 692.19 4367.24 11969.97 14200.41 10703.94 445.36 1173.02 10387.23 6455.86 4570.73 2116.71 5953.59 5339.67 4699.45 2121.21 8818.98 6343.39 4015.53 3142.49 5576.36 4133.21 5737.56 2136.61 1313.31 1458.53 4462.44 6038.44 3158.14 4044.48 4633.54 5901.43 3405.59 2585.11 4845.5 5317.54 2862.36 3756.91 4623.88 5426.16 1087.57 4769.63 8366.84 1649.06 3412.21 7120.07 5252.82 5941.37 2548.14 4273.72 6079.79 6095.33 5923.47 6127.8 4954.87 6211.94 6221.56 5958.91 6840.71 6249.82 (1,3)-beta-Xylotetraose 3817.11 2792.2 2293.29 1990.99 1907.6 7858.49 1635.58 1014.45 3602.34 3632.31 2461.35 1687.11 4092.69 949.19 971.39 4347.82 1717.84 2326.97 2504.99 1659.01 4203.16 1349.01 2814.47 1997.18 1260 1540.16 1338.07 3120.03 1457.25 699.51 5379.17 711.98 1325.61 7978.66 4797.39 11748.26 11695.59 7947 2286.63 2874.56 6463.75 11106.26 9985.3 4882.41 5839.18 7877.7 5504.62 5686.96 3285.18 697 3637.7 6232.93 2388.86 3308.53 2881.81 915.76 7411.49 2866.03 14663.76 15241.73 6419.59 1717.52 8172.96 603.19 4091.54 4086.83 9030.37 8129.73 2647.61 6485.68 903.52 11756.02 5688.29 7141.67 5150.71 4458.51 2581.33 6838.97 4877.12 6079.87 5609.61 9298.6 5775.49 3546.82 3119.54 7320.77 3422.27 7904.64 5715.87 4133.39 4084.79 4934.72 4535.76 4636.56 3934.65 7252.31 3153.78 4339.53 4716.81 8805.07 4182.68 4059.38 4298.9 3316.92 3925.59 4321.12 4355.41 4307.09 4300.02 [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] heptadecanoate 2392.68 894.3 2290.9 1852.96 2763.49 11836.31 9059.08 3085.52 682.92 1038.58 1131.52 2922.75 1678.88 1306.02 2360.13 3122.52 1123.53 775.39 5943.32 782.83 1660.16 1163.51 854.41 4355.21 2666.61 2010.38 2051.83 1053.7 1285.67 935.69 818.11 2168.7 1287.4 1647.73 2799.22 1556.54 1395.38 1423.04 1758.18 4302.42 504.52 1512.04 5933.52 3475.64 981.2 1236.06 1211.75 3334.56 1268.64 6345.99 2086.03 468.77 1836.37 2116.28 466.59 1387.93 590.51 1582.96 649.94 1493.61 2058.88 1747.76 1309.7 2964.14 2130.58 550.16 805.61 1219.09 4578.63 1286.69 1041 5548.18 5551.06 4921.65 3206.63 1414.73 1885.45 2127.74 2125.38 2606.09 2117.63 2109.36 2231.27 2214.35 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid 1457.6 1943.57 779.42 1558.97 915.52 738.08 1664.02 585.6 688.77 1766.36 2050.55 827.24 1967.64 866.77 1030.24 1585.99 818.52 1280.54 2177.58 847.9 984.3 1966.71 1711.02 1873.77 1094.04 813.96 2427.95 2463.96 412.66 693.38 4783.07 1367.52 915.63 1503.11 1257.41 1994.82 550.13 858.44 2015.24 1123.94 6130.5 4184.96 604.22 1054.95 3485.51 486.31 623.07 973.87 464.64 1282.51 665.64 443.1 526.12 439.47 717.11 1641.26 1511.94 1022.04 902.6 965.84 710.91 505.59 777.76 756.15 1149.19 568.98 1237.91 2068 1147.88 1162.15 1176.74 568.39 505.63 841.24 1382.48 1169.06 1280.58 1041.5 1414.05 1230.85 1363.52 1611.21 1361.98 1377.17 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) 1566.89 8378.08 1371.25 1966.71 3648.84 513.29 341.77 3050.46 2627.51 3092.44 920.29 2004.62 1087.65 2416.59 793.72 1755.58 1266.42 525.27 3982.94 3284.1 1020.04 1157.87 326.66 1783.79 2870.79 1835.58 2442.15 8775.49 5002.1 1760.59 1178.22 2499.36 728.96 3690.72 5882.71 8188.47 9648.69 419.58 1309.93 4020.4 3510.27 7207.99 4455.72 3573.02 3720.63 1933.03 4166.59 5079.74 9438.45 951.84 7951.94 3338.75 5384.37 5210.39 17463.28 4709.15 5512.33 9324.22 5832.86 1692.44 6487.62 992.69 18595.4 10993.12 6836.49 8221.94 1218.9 3470.36 3096.05 8812.13 4937.99 491.64 2907.13 18328.02 5475.46 3655.3 2001.93 1097.23 1159.75 666.42 810.97 2024.93 696.85 3723.46 4024.86 6506.42 7504.09 5982.23 5226.23 2303.36 4891.96 6562.13 6516.31 5264.37 4821.89 5394.09 7274.42 6634.05 5269.59 5935.07 5945.31 5660.91 6127.28 5684.5 5651.34 5842.09 5821.25 3960.95 OVA peptide (257-264) 427.88 3146.07 1186.24 817.85 1017.28 983.13 1849.7 535.94 1772.74 1159.48 506.38 1139.92 533.38 926.2 913.82 1427.4 527.62 644.17 13762.67 2322.93 739.32 785.88 1177.47 764.71 550.75 1481.82 943.02 1391.36 469.8 1078.11 971.92 1095.03 952.24 2607.95 951.07 408.51 2295 1879.99 1130.82 1177.86 3189.81 546.02 724.83 721.59 619.98 1564.02 798.25 656.18 559.26 742.84 1985.36 2561.49 458.71 628.34 1126.55 1689.42 493.19 409.63 1752.55 3513.96 1459.1 1234.08 1955.65 1846.05 960.59 993.84 3177.21 492.05 936.83 1937.1 958.49 2123.91 568.16 1724.32 1022.56 1373.59 1462.53 1354.97 1585.85 1372.98 1207.84 1461.01 1304.65 1473.08 4-hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-3,5-diene-1,2-dione 1203.87 1852.42 484.06 1314.77 1615.18 1867.37 1197.71 4929.75 1511.85 2327.39 5413 1548.95 855.95 1659.96 1168.53 1698.45 725.69 1046.16 662.22 885.09 840.25 1104.2 1268.88 1337.18 424.05 2705.32 1338.46 2320.65 784.77 469.18 717.95 1831.54 1186.12 2405.78 2859.29 1232.55 3613.36 280.41 4935.41 1092 4223.91 2408.98 6155.08 5163.71 829.63 4951.75 932.46 2122.54 4748.82 878.37 2669.58 1723.04 1769.87 1717.15 490.84 1581.13 1393.11 1600.5 678.02 5377.88 775.01 3395.51 1461.24 2310.75 477.81 1379.73 862.85 3212.38 297.1 1469.7 1794.09 3095.11 2846.96 4795.04 3854.97 3189.18 2559.68 2708.81 2843.19 3150.09 2968.68 1899.54 3067.23 2529.86 Protopanaxadiol 3-glucoside 20-[arabinosyl-(1->2)-glucoside] 545.35 325.62 736.29 10533.36 926.29 1097.31 690.75 2351.54 799.12 2529.4 671.61 609.77 621.19 382.78 510.99 443.31 8837.84 529.5 744.95 1056.02 348.12 10386.71 401.98 656.59 345.92 484.58 762.56 8929.22 406.64 699.64 487.46 682.27 475.42 5371.32 4341.83 2451.14 5537.44 4203.5 2939.95 2571.8 7775.95 5135.83 2717.62 2822.5 4104.54 5281.22 5895.12 2428.37 1113.81 1501.01 2584.4 6682.13 1774.82 3078.43 4087.41 7321.08 3588.8 2446.18 6237.86 5123.57 3158.13 3609.68 5929.53 4144.34 2229.92 3496.24 7034.03 1535.58 3101.44 6009.64 5406.43 5104.36 3584.71 4565.15 4539.94 4894.59 4642.15 4851.61 4655.61 4745.3 4102.48 4856.61 4835.99 4858.8 diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium 5199.26 5609.13 687.91 5244.98 437.31 8559.3 3016.55 5860.11 5787.71 5773.06 2894.23 7595.8 8385.2 8258.17 4721.41 3734.25 3194.4 2403.8 2500.88 1656.07 5107.72 474.97 1766.63 4091.33 4783.69 5090.82 3025.78 4575.63 25479.57 13538.7 3234.22 4532.7 2335.04 2810.72 3758.86 23562.68 5441.24 4656.01 1900.84 3304.52 5384.15 5880.39 4056.84 3382.97 3399.01 2779.46 22739.21 12166.42 11074.51 14479.97 4879.25 5525.5 4322.3 5214.07 3059.45 4862.7 3932.41 3862.14 4024.09 3524.96 2635.53 1440.89 4423.55 5178.98 3214.38 4849.99 6956.77 3956.62 4016.62 4666.52 3814.65 3424.93 3629.42 4442.57 4982.01 6452.95 6251.59 6309.29 6454.98 6456.63 6989.36 6288.76 6428.11 6347.69 ({6-[(4,5-dihydroxy-2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-5H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium 373.95 2163.9 419.16 3610.69 877.41 1702.31 3505.89 7436.42 1509.52 718.33 1286.05 802.09 957.53 1037.24 2042.61 924.38 863.43 1145.82 688.81 1021.53 609.98 2055.14 1507.64 490.39 421.68 615.55 1119.67 1372.14 1530.46 1150.36 399.15 675.52 1403.03 9568.62 4818.51 6427.8 5716.2 3519.26 4503.27 932.76 738.6 2117.28 9272.24 850.68 4542.41 2557.39 7758.89 10354.52 12542.33 579.86 1097.3 16291.62 12142.32 7037.51 10661.03 6291.23 10375.6 5829.59 9690.52 353.62 7704.48 6167.09 10865.4 17006.13 9218.16 6738.67 4774.12 5712 4022.23 9696.29 2045.28 4326.97 9888.06 13899.94 14245.95 7126.35 7111.67 6830.45 6747.31 6952.41 5423.27 7067.87 7061.03 7405.59 1-Tert-butyl-3-(3-fluorophenyl)thiourea 22633.21 27114.17 13909.99 13148.37 28682.73 24958.84 12473.86 35652.49 33789.7 21702.4 19304.53 19082.11 16095.7 19639.53 26976.06 26033.85 14366.79 28064.64 34266.35 40818.81 32688.52 15250.33 11362.15 17932.5 28890.12 34336.99 18485.93 19275.67 26851.49 10618.5 36747.3 35319.45 19307.53 20622.02 18475.24 29245.35 27702.76 13680.64 16445.6 16828.39 32942.24 27574.51 18981.43 14612.15 38583.5 18874.42 31264.87 21393.26 17585.47 24050.12 21702.29 21407.16 23248.62 20082.53 18937.83 19621.31 12657.13 12092.07 24863.1 14416.68 12032.28 13703.31 19552.04 16544.52 15633.63 26511.78 30220.86 17171.11 18448.71 28089.59 22804.38 18896.04 17338.68 15940.4 8382.87 22428.52 21141.6 23007.01 23017.34 23043.17 23004.99 23016.79 23061.69 23014.75 N-Acetyl-leu-leu-leu-leu-tyr-amide 65598.58 107831.2 64828.49 94566.73 116608.58 130625.88 64377.78 46548.99 52766.49 55445.9 30731.66 57804.88 92879.91 98810.15 67538.43 82415.7 72406.92 106705.5 92829.42 100345.48 65816.17 61749.92 53943.53 40099.72 49156.21 105155.49 45284.19 56319.01 86055.67 90457.8 105431.85 142565.38 65119.26 95650.34 57395.74 87358.09 61798.51 112920.94 52607.57 61705.55 126709.26 118043.87 55078.99 62787.7 103709.34 40985.77 77170.91 71576.23 94403.49 149860.79 94131.5 100895.02 60516.23 85474.38 57133.49 77739.55 53729.04 37927.92 46583.33 49354.58 47941.58 46523.33 59357.36 52124.61 37936.45 69642.13 109455.84 49168.53 49425.02 48469.31 61063.12 57788.75 49683.23 91332.62 81809.95 78803.94 80829.51 80613.37 80616.05 79898.65 79868.68 80608.32 80301.42 80343.35 (4R)-4-[(E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one 2003.32 2706.55 566.5 1901.68 1524.59 1561.52 530.92 2863.88 3300.97 904.44 2765.42 9614.73 4324.62 5741.52 1694.17 516.12 1053.26 878.71 1354.07 4876.82 5952.59 1654.55 1969.04 1790.61 7138.48 595.15 511.61 2156.65 3003.64 6554.15 1350.83 1865.59 4669.85 1090.96 2870.85 1364.89 2194.35 3127.86 894.01 2023.62 5985.39 9493.2 2160.6 1839.57 9616.73 3849.47 4568.52 2550.37 3918.94 11767.4 6237.16 6193.79 2573.95 3743.17 2930.57 816.75 1187.18 819.92 1656.93 1824.98 1647.37 1777.58 2112.61 1734.52 1519.41 2432.44 3947.65 2508.32 1080.83 1036.06 2564.4 4038.93 1593.33 1810.62 2247.16 2401.08 2250.24 2493.72 2440.72 2093.71 2245.91 2446.53 1846.62 2396.65 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone 4625.42 6429.6 2607.09 2825.81 7559.38 7049.76 2790.76 5257.82 5842.58 3081.89 2141.02 5995.78 6131.17 6828.14 1141.61 6375.16 6026.26 5861.08 8152.21 10340.38 6938.34 3108.29 2378.44 4876.88 903.4 6680.4 2506.37 4409.33 6034.68 6825.98 10731.51 9521.08 1017.86 2381.5 4621.92 5623.6 2632.65 1938.02 2206.83 6086.33 8234.08 7531.08 5133.56 2704.68 2691.92 3155.12 3971.42 5982.39 902.8 12700.04 1485.28 1464.9 2899.78 3107.38 5252.41 10452.84 5170 3141.91 4480.2 4750.51 4995.2 2363.76 3209.69 3955.33 1530.3 5509.95 11915.56 4712.08 5466.41 4618.03 3255.44 3908.79 2724.42 6652.74 4450.11 1835.07 2508.95 2745.27 2469.67 2534.38 2765.28 2799.97 2767.67 3133.88 N-(3-methylphenyl)quinazolin-4-amine 16613.1 11091.67 10114.93 13216.87 28535.13 14161.22 25863.67 14769.09 23621.29 1735.28 11942.21 14633.12 13349.55 8111.47 14991.34 15361.13 7779.31 13264.17 13506.56 65665.7 24467.18 1953.31 8118.8 10027.6 13048.81 12594.09 7824.47 9842.8 7145.29 10504.03 16769.35 9437.51 10528.45 15132.1 11152.59 3091.06 14589.21 9573.26 7992.69 19480.9 7044.16 12016.67 12237.24 9909.02 6985.57 13830.4 16392.31 12492.2 2391.46 12874.25 7833.68 16367.26 14149.8 21453.45 12223.84 10175.54 8058.53 8768.31 12483.73 10082.68 8627.16 6254.12 18027 17355.21 8307.44 20735.84 18069.36 8596.34 10031.87 15941.48 11779.85 11512.42 13368.51 12858.13 20759.97 13518.58 13713.62 13497.43 12782.47 13497.13 14103.8 13487.53 14299.08 13499.45 PE(20:1(11Z)/22:2(13Z,16Z)) 1017.19 596.63 109480.45 144383.29 4970.24 1527.8 80275.87 159962.86 129271.86 654.15 736.37 5990.54 964.34 128581.72 1608.75 523.53 128514.15 95533.29 92600.02 101880.05 2097.75 96793.64 62138.13 938.44 531.2 889.18 142627.45 136966.7 1015.96 1445.21 100281.38 772.88 585.76 135033.74 171914.64 156936.78 169906.67 182450.66 194796.04 240269.52 123143.78 143385.55 189737.63 206297.94 142478.79 156918.29 139870.96 127034.98 67777.28 124192.75 140106.86 126561.37 146035.8 137906.81 109193.63 182833.45 185427.24 241804.29 188374.3 131139.71 235321.53 232241.39 137087.19 91056.36 119482.22 167732.39 157956.34 182988.39 19497.71 129557.26 185867.86 176459.87 165345.12 142270.49 160875.91 142276.3 144365.83 144319.72 144441.26 142299.93 142293.3 141132.96 144290.8 144323.06 (3R,6S)-2,6-Dimethyl-6-(beta-D-glucopyranosyloxy)-7-octene-2,3-diol 1735.78 4869.96 5530.55 10884.07 4481.58 3976.48 6377.62 14619.13 996.54 4745.56 5508.09 5561.65 4318.64 5061.74 6439.54 9595.23 3903.72 4034.82 1612.46 2166.82 5517.44 3403.86 1114.7 5336.44 6176.38 7139.64 4338.05 3324.21 5935.09 5538.64 3022.11 9344.2 2723.08 3946.11 5237.37 1622.76 6066.93 4169.92 4338.36 3600.81 4801.89 6999.82 3021.53 5180.52 3018.84 6922.53 7599.79 3044.76 4902.83 1996.72 6885.32 4617.38 2527.49 6947.61 8176.37 2660.69 4096.96 4772.42 5000.49 10241.05 5155.58 5881.76 3858.09 4811.75 5915.99 6835.33 5670.94 4282.08 5134.62 7724.6 6252.87 4600.2 2532.75 5889.93 2924.31 6934.02 7102.58 7666.12 8884.89 7190.43 7672.25 6978.59 7688.94 7704.79 Acylsucrose S4:17[2](2,5,5,5) 1556.7 2873.9 4847.03 3556.25 2654.7 1426.1 834 2721.91 2867.15 5190.89 2212.76 1171.06 1966.46 814.48 2770.72 3763.57 2264.34 3897.18 3411.62 3533.59 803.33 558.5 817.87 2287.87 4346.04 1641.4 4868.29 2923.92 3606.95 732.54 628.32 4620.26 1340.14 3895.51 1542.17 3344.57 3478.77 3321.9 5720.95 2449.34 1514.3 1923.03 3399.82 5433.5 2428.84 1269.07 1059.14 1595.12 2315.57 2152.85 1364.01 3472.05 4612.95 1612.12 2486.68 3950.33 3839.27 2236.07 4771.96 1555.54 2461.4 5236.5 1783.71 2792.3 4112.24 2733.1 1431.26 2193.51 2342.02 3268.99 2882.8 4266.97 4215.17 2067.18 2383.73 3033.13 2984.29 3273.36 2954.86 2928.9 3020.34 2920.93 2982.21 2573.11 Ile-Val-Leu 8674.39 13152.61 3690.48 679.41 52297.78 17110.24 96586.85 15470.16 11790.42 6760.04 9808.49 14721.07 18054.29 8226.61 18406.72 1678.49 18021.62 2671.3 29163.69 23073.95 14344.27 9134.97 5418.84 10349.73 2740.15 9128.01 16335.34 7365.27 11958.33 17921.98 9956.23 17595.04 11896.33 12253.5 12306.72 16203.22 5575.74 6507.83 11059.48 7737.23 10213.64 14992.95 14508.06 11264.82 17161.1 8808.68 12613.84 15613.54 17035.17 14672.25 7267.15 12443.99 22360.74 17537.65 8777.35 14647.07 33561.58 7209.04 16604.03 10822.07 23342.27 20656.09 13700.53 13910.3 10476.94 14037.48 17239.19 9002.13 13972.24 15188.78 12882.18 7071.64 9127.54 9615.35 14666.35 12838.89 12672.59 12638.64 12793.43 12380.65 12389.51 11973.89 12322.46 13331.67 [6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-][1]benzouran-5-yl] acetate 2110.42 1030.9 1746.68 1608.85 7270.52 2599.52 1581.92 1425.17 1779.45 1581.21 1782.61 1453.75 925.46 2440.42 1837.78 649.43 1581.58 2766.57 1756.86 7300.28 1060.93 1420.73 1720.88 1355.57 1510.32 952.56 1494.63 845.03 5470.45 1131.13 4905.23 583.05 1422.81 568.15 1427.35 922.73 1688.22 1661.97 1709.07 466.29 1239.97 856.34 1709.62 1593.57 1975.92 653.58 2055.8 1993.22 1342.81 1075.48 1141.37 772.8 621.46 457.99 1267.65 681.38 2188.41 1025.92 1747 1387.58 1795.35 1899.81 1904.07 1738.74 2026.76 1052.68 2321.52 1126.13 1265.4 1596.12 490.64 2002.32 1248.85 2602.19 1165.69 1491.09 1321.63 1744.93 1340.87 1556.46 1636.88 1699.94 1355.13 1617.52 2,2'-Dihydroxyastaxanthin 1678.9 452.46 1275.99 1329.99 1785.51 3113.27 1481.98 1570.93 1468.18 1499.21 2976.13 782.15 2569.81 2738.55 1299.16 2241.48 1297.61 803.09 2581.25 874.68 582.14 1617.39 1892.11 497.18 1275.48 1119.06 1753.23 1775.35 1527.35 1039 1451.3 309.28 745.86 1528.67 3287.41 896.11 3097.85 3959.31 1634.95 3456.15 1461.42 3336.35 2193.95 1410.59 5387.84 5709.68 1676.97 3515.47 4593.58 6946.18 1587.55 869.5 3430.17 8630.42 2240.2 2184.68 3140.19 1029.31 685.55 2396.28 2806.04 4324.66 1992.74 2886.87 1133.75 3310.92 1516.52 1369.73 1157.55 2256.18 1195.57 5689.75 5035.16 4101.8 3146.22 3358 3346.15 3220.36 3517.86 3218.45 3372.66 3402.48 3175.38 3178.94 Rhizobitoxine(1+) 1355.96 4006 932.21 489.42 2037.61 3740.04 1960.73 2870.61 4865.02 4011.11 3702.16 3759.19 2430.64 2314.12 3367.22 2966.64 2721.34 3183.57 3306.38 4863.91 3816.32 3392.26 2806.53 2500.78 2510.29 1898.54 2329.49 2089.67 2817.96 1640.53 2039.18 3303.26 4064.69 3955.97 3542.96 3185.63 2528.96 3874.96 1156.08 3024.71 2383.47 3193.17 2756.1 2442.2 4000.86 1663.08 3421.34 3262.32 925.22 1940.08 900.12 3811.96 2454.44 2042.52 1561.94 5686.61 2031.1 727.37 2575.74 793.36 1813.33 1871.4 1605.36 2772.54 3285.59 1756.95 6571.96 2046.83 1920.58 3495.94 3454.04 3602.73 2065.7 3752.08 1774.71 2870.49 2905.06 3010.76 2843.32 2838.5 2898.36 2897.19 2859.39 2828.26 3-Nonaprenyl-4,5-dihydroxybenzoate 2847.65 2642.33 1022.52 3571.47 13242.22 10134.44 2275.4 3018.38 1209.23 2332.68 1783.64 1558.3 1746.74 1022.29 2563.24 547.43 1677.52 1031.78 3819.75 1382.82 976.4 1685.81 800.84 2023.25 675.14 3521.22 614.15 1492.51 1956.89 914.99 3675.8 774.47 6838.55 1183.28 4862.28 1922.64 2499.45 1548.77 2353.52 1098.47 2186.93 3403.47 1979.37 774.86 1462.1 878.54 769.3 2152.14 1453.88 1506.61 1708.74 2869.31 2734.1 4318.84 3368.21 1293.78 3541.54 2685.41 3949.2 587.85 10102.47 3204.32 3601.69 1760 1008.83 1438.31 899.69 3075.17 2009.66 4159.34 4959.97 2696.26 839.76 3471.61 1564.97 1680.5 1993.48 1643.79 1923.62 1785.92 1876.84 1822.17 1696.1 1960.14 Ncgc00380781-01_C15H20N2O5_ 3073.72 1397.28 1244.26 3071.43 1215.16 2691.66 5966.71 4428.25 7276.32 3972.96 1722.46 2341.32 2522.92 7345.98 3516.49 6298.97 784.72 6527.96 1084.97 3063.09 4476.13 3767.19 952.49 4103.22 1197.21 6940.13 4437.27 6992.17 2351.43 2635.76 2588.05 3042.23 3123.77 844.26 1509.59 1092.84 4000.14 3275.42 1358.82 3244.25 4217.53 8191.49 3055.37 4574.3 5356.69 6989.29 4289.72 915.16 2554.15 3007.29 5789.67 2683.11 1617.63 2795.07 1106.9 1352.56 1817.22 595.33 4753.24 761.05 4552.61 562.52 2716.3 1371.96 3397.98 5243.37 3747.03 1090.39 646.64 5325.56 1269.99 1242.41 15491.78 4364.91 2174.88 4855.42 4923.61 4847.48 4494.76 4843.43 4805.3 4687.47 4662.23 4688.49 (1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate 2744.37 4634.29 3965 3920.3 1974.25 3738.59 2379.39 1453.99 1851.93 1702.14 1738.26 2574.8 2701.8 5530.54 1370.8 2361.41 1330.84 3141.5 2659.7 1978.38 1436.59 590.06 1628.46 2101.82 892.41 2391.66 1145.87 3951.7 6319.2 4799.57 3555.69 6654.26 957.67 5131.07 2882.47 3949.12 1091.25 3058.59 1054.37 973.18 3677.52 2973.17 1169.27 702.29 3819.6 813.32 1484.78 1557.32 4632.9 3226.44 7186.02 2882.93 2760.18 4745.43 1229.66 1863.13 1759.15 570.37 1051.39 566.99 531.84 643.86 999.32 1966.69 566.89 1385.86 4283.38 1071.14 1813.88 1257.3 2092.5 1345.38 794.29 979.91 1330.19 1896.27 2181.54 1961.52 1959.52 1892.85 1864.62 1909.44 1791.63 2017.56 1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol 8737.77 12171.16 12941.25 6475.21 9198.26 3000.74 5421.61 10136.82 9907.45 12599.25 1320.09 9006.51 12653.25 9918.05 6860.91 6465.86 6885.62 8988.72 10437.78 5119.79 948.51 2857.84 6840.34 12067.56 12962.27 9352.17 12670.09 11719.17 10497.86 9754.06 7307.99 7475.31 4117.56 14845.36 6671.2 16586.42 8828.83 758.84 10730.87 12422.6 6498.78 6455.73 8338.06 6578.55 9261.7 4841.09 7029.51 11338.44 5990.43 5689.72 4815.46 7380.14 8506.39 3850.36 9257.29 8612.52 9944.02 8205.56 5732.27 2638.07 7977.21 11815.86 4484.16 3969.07 5647.15 10468.43 7559.62 12993.43 14455.17 8845.51 5878.63 4416.12 919.11 2855.6 4547.39 6861.22 6866.64 6681.4 7204.71 6696.03 6658.35 6680.6 6701.43 6877.57 Stellariose 687.78 549.99 573.61 454.96 681.72 1530.05 413.87 340.71 1086.55 3680.75 736.33 1586.25 1569.66 500.12 1191.35 848.42 441.62 652.13 784.37 300.21 482.47 293.57 240.26 424.5 1884.18 1382.7 386.3 703.11 371.53 1218.63 1033.54 240.94 917.05 471.94 1238.41 525.95 424.74 845.61 408.52 497.34 1237.49 764.5 324.63 576.24 994.82 640.76 327.8 2191.11 1188.9 743.89 2631.12 1010.24 561.71 653.7 336.74 2433.86 1862.16 1010.41 925.23 1578.23 4661.28 3579.38 800.43 818.54 382.28 817.72 1286.87 661.22 726.38 679.85 1425.3 799.41 2097.7 1036.36 598.38 1484.06 1766.06 1377.55 1543.83 1400 1523.42 1720.71 1621.23 1731.79 (7r)-4,7-Dihydroxy-N,N,N-Trimethyl-10-Oxo-3,5,9-Trioxa-4-Phosphaheptacosan-1-Aminium 4-Oxide 4277.88 187.95 2566.17 17218.93 279.45 3649.28 2028.37 327.53 1243.74 2212.54 2502.64 181.34 176.26 1942.73 155.63 11594.33 2001.53 138.39 848.61 168.39 247.64 177.94 2228.1 129.71 2183.45 1735.03 166.24 168.07 193.79 1990.67 307.24 11145.23 2133.27 1244.23 3277.58 127.77 222.93 218.91 992.88 443.65 9631.03 9329.87 267 255.83 282.7 112370.51 1714.01 162.82 928.47 3362.64 1121.79 678.12 1483.29 2538.79 177 1266.3 1023.36 386.04 135.15 232.41 1205.01 296.08 1434.07 512.14 1668.88 10699.25 1248.39 321.43 1141.34 1185.53 213.41 214.62 364.55 11505.42 4722.63 4355.31 4916.49 5214.48 4773.29 4827.18 4913.8 4914.5 4803.52 4785 UDP-6-sulfoquinovose(3-) 9223.63 12523.86 5601.21 1472.03 8944.09 3649.9 6011.58 6081.17 5130.8 9998.57 847.04 8264.49 4179.7 8736.6 5261.98 663.6 5933.71 1165.41 9187.09 1510.04 4109.17 586.57 7937.57 638.47 12722.44 7226.71 9249.72 10607.71 11714.4 7873.28 7886.74 8662.58 3785.41 14555.69 8353.18 11585.34 6853.43 2148.33 9781.65 15409.53 8160.96 8218.85 8513.79 6205.87 6794.66 4310.68 5698.33 9088.79 8152.42 5114.49 5319.12 6572.05 9634.46 1856.37 10289.4 8013.83 8115.01 5222.15 5676.37 4275.59 8652.4 16636.26 6241.38 4179.34 3951.26 9340.48 8384.45 15220.67 12516.99 8752.6 5309.82 6511.25 1845.86 5165.66 5183.83 7934.11 6512.77 8505.6 7966.77 7930.66 7941.87 7953.8 7660.63 7652.4 Farnesyl-5,7-dihydroxy-4,6-dimethylphthalide 264.94 135.61 105.77 422.89 22766.19 6384.01 7245.43 410.62 368.72 236.18 110.38 64.41 1596.21 271.78 187.43 1156.05 203.88 642.36 354.96 261.67 201.03 1021.58 102.26 63.95 654.7 266.43 211.44 250.23 723.31 117.66 541.28 127.21 241.12 728.36 249.62 163.72 165.2 1817.38 84.43 89.89 4928.46 970.36 134.38 173.35 113.47 746.08 370.85 604.39 2236.27 225.65 135.2 268.6 134.96 505.01 384.96 104.01 86.53 584.2 187.02 1166.76 78.45 84.66 225.12 100.71 144.62 70.03 293.1 250.19 86.7 144.01 90.85 302.78 694.33 1064.17 606.01 2258.9 2560.59 2160.87 2229.95 1865.26 1956.4 2098.45 2246.55 2209.2 3,4,5-trihydroxy-6-[3-[(E)-2-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-2-carboxylic acid 1502.01 158.89 1215.47 1803.8 175.48 2229.45 1590.14 791.15 418.83 1638.7 1764.89 170.51 293.64 232.62 1051 361.19 1559.11 1301.67 532.42 1270.63 181.35 1160.67 1260.13 1959.22 1593.6 1258.66 1592.29 1384.43 1993.12 1566.31 214.86 3525.72 261.09 4434.08 4817.02 2878.68 2433.41 497.62 3302.9 3460.05 656.48 663.29 4007.42 870.3 1233.15 4272.5 4806.8 4840.89 7681.49 7224.79 4259.11 3396.39 4769.27 8971.12 8706.68 7271.32 7154.99 1290.18 3347.28 1593.18 249.71 1703.76 7034.64 3125.83 3549.2 2616 2253.93 2697.09 1130.52 8241.76 3760.8 834.56 8640.81 32957.04 4284.3 6050.1 6552.95 6370.46 6547.89 6567.62 7439.36 6216.1 5891.12 6500.4 Ustin 2432.86 1519.91 1009.55 3568.28 2587.53 2671.5 3546.22 4951.33 1251.93 4321.91 3402.01 2563.97 1697.05 1219.07 2275.27 1280.66 1486.72 865.33 1726.75 2533.92 2303.33 1237.9 2493.89 3362.38 2999.51 1045.25 4044.56 2809.33 2323.59 2819.95 1041.99 1009.38 957.5 3347.78 2786.83 1687.21 2400.38 2692.19 3737.71 2736.18 3848.72 1517.23 2814.72 3759.27 3320.43 2831.78 2451.84 2781.34 2824.85 1976.34 2674.56 3312.51 2484.54 2807.08 2699.86 3880.21 2759.17 2268.93 2743.54 2548.03 2986.9 4768.34 2994.19 2572.8 3706.14 2704.49 1907.01 1746.81 3015.65 3533.88 3603.9 2580.59 2606.96 2412.78 3163.36 3028.44 2736.47 2825.52 2836.31 2735.81 2757.48 2768.18 2718.51 2845.75 2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate 2795.97 3341.98 1332.48 1273.31 3840.62 2288.41 6118.76 4275.82 3382.53 3162.07 2323.88 4122.76 2182.59 3314.3 3210.28 3858.77 2912.89 2741.27 2747.41 2365.67 855.3 587.4 3320.39 2937.06 2752.72 1572.32 1689.89 2866.53 2525.14 2956.76 636.54 2702.29 1464.45 3055.08 1829.41 4315.09 3041.4 1231.02 3522.54 4020.95 2131.42 3111.16 3408.44 3194.59 3152.56 2597.48 4277.84 3818.71 3221.07 3373.07 2658.76 3375.98 1193.61 2308.98 2441.61 3491.34 1676.24 2341.02 1120.94 2664.15 2802.74 5234.56 3021.58 2328.15 1169.34 3891.84 3128.3 5027.51 5365.47 4859.87 2915.15 2441.93 1815.9 4297.88 3754.52 2817.51 2793.15 2930.87 2901.92 2818.32 2910.05 3242.3 2798.42 2933.11 5-[3-(Difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine 1655.77 7606.38 858.4 1290.4 1280.81 639.75 1992.76 3213.82 2704.97 4140.85 2675.91 3514.18 3473.6 1462.7 2570.68 2732.15 1416.84 3004 4677.43 2375.42 3121.57 1581.36 2100.04 2619.8 5078.28 1050.28 5273.4 3513.81 4816.89 3536.48 3196 1949.7 3759.69 1088.25 3714.71 2841.91 1866.55 2016.49 2050.78 3942.97 1399.26 1504.47 2481.05 2431.17 1024.36 1238.07 1079.2 5780.54 2462.45 3466.1 1389.42 1376.85 1792.42 920.85 2223.64 3562.92 795.58 1557.67 2390.12 784.95 1315.43 2532.53 1911.4 2204.74 3380.06 4249.98 704.69 3384.72 4556.73 2354.31 1974.53 2108.44 804.1 1711.33 1927.66 1987.29 1998.45 2140.67 2100.26 1815.68 2115.33 2056.81 2120.02 1873.8 4-(2-Amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside 10063.28 8820.67 3498.64 5256.71 8233.89 10412.63 7400.54 6377.15 8478.1 10930.98 6180.31 6892.6 7639.81 9109.28 8508.68 9240.84 7430.09 9922.98 7999.43 10486.74 7299.43 6160.77 6540.93 7279.17 8678.83 9382.5 8533.64 8487.39 7650.95 10105.36 7340.31 9372.08 7122.4 6196.9 6458.13 9358.23 9383.44 9822.74 7983.88 10003.14 9957.52 11255.71 8428.17 8410.15 6276.81 9719.52 7566.23 8875.15 7619.86 10437.67 8095.82 7978.17 6908.13 8730.6 9595.92 4669.72 2866.38 10523.4 8620.07 6412.64 6470.01 6217.57 8050.57 7941.55 8428.57 8863.45 7871.95 9156.29 8710.59 8011.5 9154.74 9967.49 10268.63 6347.1 8419.11 8089.52 8311.28 8630.03 8305.19 7844.11 8312.3 8308.68 8127.8 8096.4 6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one 1730.67 2639.71 1609.03 1038.42 2068.47 1986.02 1685.96 1229.62 2150.27 976 2474.98 1195.06 1169.78 1558.2 869.33 1614.56 1376.62 1107.22 1298.79 792.35 1342.56 858.18 788.35 1231.54 810.62 2850.17 3483.24 936.8 1723.21 1719.92 940.14 2195.98 1821.96 2620.82 580.95 1982.17 1178.2 6940.45 2835.16 535.43 552.32 529.7 858.03 857.69 842.17 1164.89 793.55 609.54 2705.97 914.48 1991.02 2768.8 1183.78 1303.52 1261 2532.14 788.31 1512.24 635.34 1924.19 1793.72 3185.67 2261.79 741.53 1487.89 570.48 2633.52 2335.17 1369.16 1236.72 1968.18 1491.13 2424.1 2102.01 799.93 1336.83 1338.34 1373.76 1292.14 1342.43 1072.79 1292.9 1269.76 1338.72 PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1405.07 757.02 220.47 12673.98 70864.36 43454.77 52884.97 719.84 562.39 628.17 889.38 1152.8 780.66 990.76 428.06 3565.79 510.94 637.28 754.17 437.6 768.83 1103.62 1235.7 762.88 437.4 1645.83 1102.05 274.26 1215.5 469.92 282.78 1563.35 652.6 6488.61 3790.42 4984.07 4290.18 408.29 4084.94 2462.08 48272.02 1287.65 2133.95 1597.39 1678.71 1902.8 2757.28 1779.96 535.48 1533.36 663.04 4843.86 4859 2975.86 1651.58 3232.07 3090.9 2353.84 2369.25 4662.31 3877.89 5183.17 4703.18 3911.52 1675.1 2551.21 704.12 4472.27 1897.45 3243.81 4965.03 3677.04 177 776.5 4383.97 508.57 2717.26 1469.17 1059.73 2637.53 1004.78 2258.13 3074.95 4040.72 5264.66 1468.12 2870.65 3398.32 1435.73 4408.53 1356.19 2484.13 2991.06 1960.97 3273.36 1125.67 5364.55 5252.51 6008 5153.57 5559.78 5375.51 4360.8 5366.27 5579.91 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine 3259.12 3062.59 3660.68 1903.61 6349.24 1476.71 3983.64 3655.89 4094.64 2323.93 1819.44 3381.7 2606.03 5095.51 3664.36 4070.78 3161.4 3157.22 2959.01 1899.47 1014.5 1408.13 2879.02 2498.72 3615.86 4323.48 3953.82 6066.98 4258.23 2228.59 1546.48 875.24 2515.15 1975.72 4089.45 4855.85 1943.62 569.6 1298.06 1500.11 741.86 1952.94 4332.69 1338.26 3288.63 1287.76 3698.31 2548.87 1075.18 1975.52 903.37 5586.36 789.25 1328.34 1688.94 2291.23 2742.29 1376.32 2248.04 1177 2642.04 1558.65 3539.89 2232.23 3405.94 490.89 2052.03 5121.92 5986.89 1450.45 5865.82 1193.81 1242.3 1064.23 1434.59 2208.05 1848.22 1826.82 2207.65 2210.31 2273.94 2200.67 1858.69 1859.53 Glycochenodeoxycholic acid 3-glucuronide 842.86 1344.51 1891.08 874.18 3789.57 1727.14 4469.19 693.01 715.43 839.87 783.79 782.31 4769.04 703.26 737.86 1020.3 1516.56 1518.79 1824.83 4813.86 1289.37 1525.02 1083.44 1580.17 1118.72 451.72 402.12 1200.72 1875.9 934.17 1602.52 2352 464.96 750.99 1922.08 1337.31 552.24 1606.53 2097.77 2034.67 2067.3 1481.56 1766.02 1025.19 901.28 1811.6 804.82 1803.5 2045.17 2008.87 695.68 1921.78 5255.92 857.69 474.13 1672.91 1541.5 1846.94 802.74 1289.66 1624.47 2842.4 1472 2743.98 1088.44 784.57 1045.24 536.49 1513.28 1264.54 818.34 1015.38 1373.98 1979.06 1286.22 2121.55 2055.17 2126.18 1893.05 2054.99 2126.56 2010.61 2264.6 2102.43 N-Methylpyridinium 16415.05 18413.7 31348.33 25365.42 17149.7 6926.52 44737.82 41735.22 32276.82 21282.01 29116.51 21484.65 18837.4 27281.92 24099.99 29225.49 18870.08 27305.2 24386.96 24415.36 25300.08 8078.23 22290.51 24802.31 26709.59 14828.44 21043.1 19685.6 16705.49 4745.79 15886.94 43675.93 15822.11 28094.69 27677.95 55977.54 26565.9 11543.95 29041.87 33191.17 3992.98 8280.93 31042.21 23808.49 42511.35 35479.36 26675.53 18151.75 27069.54 14137.02 32778.31 26150.94 31439.6 34550.33 27388.24 47379.79 31941.76 28488.35 16808.31 10898.06 22618.44 23814.32 33750.96 37340.69 27687.71 28390.15 17136.56 21404.17 20136.13 30483.76 26725.63 18693.48 35370.56 36768.49 35504 24428.58 24218 24178.74 25689.12 24442.57 24307.34 23911.48 23652.06 24380.66 [(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid 1793.01 1224.79 1419.14 711.54 732.34 2052.81 9590.95 1645.22 730.35 597.19 647.13 1121.66 3106.29 1074.09 1474.03 719.87 1346.36 750.86 586.6 9414.96 1880.93 2747.6 1402.15 689.23 1084.88 626.6 1537.9 1009.24 812.94 1481.2 1621.05 799.22 874.74 559.01 544.88 3677.3 1893.71 1999.4 1399.91 1439.31 1908.58 3199.5 1497.16 1102.2 1220.61 1718.74 1719.28 810.39 2874.4 2595.43 2045.69 1701.49 1486.72 3296.11 985.12 1348.87 881.07 1250.4 1520.09 687.93 1228.6 1081.73 2207.03 1420.76 1399.75 1648.02 2214.41 991.48 1218.68 1051.37 1582.97 663.9 1285.55 702.36 739.27 1398.26 1398.26 1330.84 1397.76 1318.67 1135.45 1437.95 1337.17 1395 Asparagylasparagylarginine 6052.75 12248.29 5501.77 2655.42 4721.76 598.36 3190.12 3168.1 5984.3 6722.5 1840.63 1238.98 711.59 7282.48 2370.49 1599.59 5050.39 5233.28 2859.1 1810.88 2125.11 2826.87 1460.69 7774.81 7577.07 6420.2 3458.68 1698.6 3603.59 6903.5 3751.7 4786.39 2805.66 8215.84 6866.67 7385.24 7898.37 5414.57 5273.02 8412.45 4565.36 8584.89 9807.83 5235.11 9598.63 5690.42 6722.58 6582.12 5261.89 3002.71 7653.37 5664.07 7012.35 6972.41 5710.13 4974.96 1886.24 6725.39 3152.85 3787.21 5876.84 8789.63 7493.47 5218.21 8588.4 6288.36 4603.56 7791.14 4069.16 6604.75 5130.73 4414.53 6559.89 6134.05 5508.74 6575.5 6317.06 6124.62 5643.76 6335.08 6531.71 7024.4 6516.86 6140.29 Oxymetazoline hydrochloride 4088.66 5114.72 2408.9 1933.67 1568.11 7225.72 4876.33 7097.25 6452.87 5599.84 4506.03 4569.65 1459.71 3003.01 7029.92 6646.96 2770.45 4512.87 1286.72 9624.91 7546.45 1108.14 5284.81 2019.03 4830.02 6774.77 2448.8 5291.77 6765.43 1173.38 7706.71 2017.56 5908.79 6424.88 5459.6 5916.87 6803.88 6230.54 3836.32 4251.4 7999.23 8992.1 2539.57 3092.4 7524.32 3670.95 6966.61 2751.24 1692.74 5723.06 5811.58 6038.24 3189.08 5879.73 4822.98 5318.02 2735.25 1157.05 6422.71 4035.38 939.19 802.55 4606.93 5054.75 3468.01 7338.53 6859.45 2479.15 3441.83 6649.68 4418.05 5563.39 3664.17 2497.98 4160.07 4802.68 4362.98 4684.21 4680.62 3785.12 4600.17 4793.67 4794.49 4913.4 Apica 1536.42 629.94 2505.57 1171.45 1797.11 702.15 382.47 3228.56 2124.25 971.26 1579.37 2396.12 2333.17 1013.4 855.76 17654.71 1651.79 1713.42 4380.11 1356.45 731.18 1992.49 2338.28 2673.89 1885.47 941.07 1043.35 4015.88 5353.4 2776.3 602.32 787.96 3887.03 4682.57 2057.38 4493.82 2788.29 1836.14 2021.6 3064.83 1419.36 1896.63 2558.33 2921.21 3046.77 1828.05 1715.39 5796.32 4553.31 2576.06 5029.63 6079.89 8907.05 4400.76 5304.25 2264.19 3715.12 2094.02 4502.67 2109.01 5004.65 2572.65 3588.07 5919.35 3266.24 2756.14 721.72 678.53 2469.57 4391.15 826.32 1527.65 2970.85 1194.88 1834.63 3269.27 3315.85 3346.88 2980.45 3076.56 3289.54 3322.82 3021.33 3362.95 methylsalicyl-GXG 819.04 1773.47 9706.11 4919.15 661.13 1310.4 3585.01 1229.1 3798.11 2001.63 3064.21 2748.71 4463.06 3998.11 1522.19 3540.71 3855.2 780.9 3786.74 1883.54 5056.99 3403.06 669.27 4523.33 999.99 1370.19 1682.57 1698.64 3370.28 711.08 1118.12 2624.51 735.49 4463.76 7341.37 1739.97 3253.01 1524.17 6331.28 3504.65 1206.9 1384.69 6686.52 5244.09 1743.6 2701.22 5561.4 2873.45 1001.57 4659.68 2294.27 5911.31 3283.28 11763.3 3658.36 4421.44 13087.59 13372.27 4067.25 2493.05 2768.6 8507.34 2764.05 8281.34 10287.81 3277.5 2281.49 3598.76 8457.23 2267.87 1783.87 2773.53 2445.87 12090.28 12086.89 2310.38 2313.73 2231.62 1990.85 2139.84 2055.06 2711.66 1496.59 2418.61 (S)-N-Methylcanadine 8588.74 19151.85 5403.7 7645.54 6497.57 10925.38 3682.96 3020.57 2223.04 13030.71 1862.11 3560.76 650.77 7769.69 8492.25 8609.55 3066.14 9983.15 14831.45 27309.88 1438.82 4061.64 1814.33 12509.2 2128.4 21688.43 6772.5 6437.29 10018.5 2142.09 1124.27 3991.59 14331.38 3981.19 6292.85 4892.68 3048.99 1726.88 7190.64 5536.91 17129.53 19273.47 3713.46 2868.14 1334.93 16831.72 15721.95 10156.79 1281.59 9151.63 6613.96 14254.19 8915.73 3108.76 3295.14 10477.96 3077.5 11403.8 19418.25 14628.64 10026.01 4753.25 17500.47 5956.31 20472.45 15974.33 25887.27 7199.42 2436.98 13075.49 7107.09 18297.73 13712.78 6779.79 12160.96 9760.97 11100.37 8918.89 3170.15 10603.88 8535.13 9555 9863.21 8504.43 Phosphonic acid dilauryl ester 461.77 317.74 636.73 1313.75 836.92 1568.06 862.78 747.19 587.11 453.88 320.76 560.92 601.88 491 291.52 326.03 443.88 1036.46 344.66 1024.74 519.17 490.23 577.71 436.89 385.18 923.33 305.72 381.22 461.77 562.82 864.12 637.36 482.52 670.88 534.72 1034.73 386.27 583.12 381.28 629.03 1548.45 1130.17 805.22 471.7 752.24 976.11 1195.9 423.42 1127.47 2558.04 876.73 511.21 801.94 486.19 746.02 755.39 589.25 511.81 642 582.87 598.19 505.97 493.94 768.87 547.83 839.37 922.05 364.24 280.39 1296.21 594.85 668.17 517.87 707.26 379.61 1111.41 1138.79 1065.75 1166.98 1074.7 1130.02 1079.12 1142.98 1101.97 NCGC00385297-01_C34H41NO16_(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-20-(Acetoxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-19,21,24-triyl triacetate 4298.42 1169.14 2980.85 2005.6 2239.91 2362.82 653.1 2177.82 359.7 2209.69 960.44 2070.36 372.29 3297.76 2977.24 1754.6 2348.8 6838.16 789.58 8506.89 2567.99 2008.6 1342.95 1069.03 4995.68 4200.27 1855.03 604.21 4016.18 1671.29 3634.08 1150.54 1726.38 1669.65 3846.67 2169.33 2865.44 3647.1 1547.93 521.6 976.55 2792.25 1857.88 428.52 5443.45 726.03 3355.51 2794.45 1724.23 3408.73 2133.86 3294.48 1919.3 1127.65 1815.42 2164.39 1609.46 3801.51 1268.11 1392.28 3208.92 373.13 1886.69 327.78 840.43 1753.48 4691.74 537.6 1414.85 1155.32 1571.67 3510.68 5543.6 3116.08 1668.57 3767.95 3190.02 2788.17 3171.39 3227.73 1883.24 3085.64 2884.02 2962.3 Ala-Pro-Leu 2863.11 5328.94 4168.63 4278.92 7912.83 2828.48 4673.04 12524.34 12257.81 5539.57 3483.51 4819.02 2639.98 1660.85 10788.27 4441.05 2789.85 8821.74 5172.58 8853.06 4380.48 3048.53 827.88 3517.03 9917.51 11826.58 4999.16 3388.9 6786.95 3095.55 3517.41 5312.66 6864.95 4220.51 5184.08 7033.09 6838.98 3227.67 2695.96 8401.05 4189.72 2975.72 6872.24 4231.42 3696.13 4572.72 6466.08 3069.47 2414.87 2806.28 6269.34 3108.53 7448.03 7819.22 4794.85 4400.67 4265.75 6664.5 7267.39 5982.57 1024.26 2153.36 7772.94 10440.8 9473.34 5450.81 3438.47 1939.51 3667.54 9136.41 9239.18 4136.52 4364.09 11068.18 3229.09 5223.14 5475.91 5385.24 5483.38 5477.74 5329.1 5474.98 5616.46 5476.52 Asp-Leu-Lys 4815.93 5400.53 6993.22 6824.18 12696.69 2595.23 6711.66 13091.9 10910.62 3760.73 3897.34 617.78 3166.35 3665.43 13836.17 452.23 5109.1 9890.33 4320.39 14738.94 2513.7 1794.62 2757.26 3466.63 11244.67 10734.01 517.74 1762.33 6215.85 2534.01 2817.79 1426.92 7898.19 766.75 2765.89 5453.57 10650.04 4979.22 1134.53 5512.46 3698.82 1339.23 9475.95 4760.65 774.78 2722.51 8391.33 3026.76 1266.19 3833.78 1043.92 1309.68 1798.26 9433.87 6885.08 7123.56 5624.33 7338.04 3184.46 5896.01 1111.55 762.94 9961.53 13319 12264.43 2677.72 4867.8 891.61 4198.04 11739.34 12257.93 669.73 6884.98 12613.89 4325.37 5390.91 5278.26 5589.32 5213.03 3232.51 5489.08 5590.37 5578.97 5577.19 Asp-His-Tyr 918.34 784.84 1104.57 913.72 986.96 1020.52 972.46 2149.97 3165.35 1098.42 556.66 2887.07 1295.24 911.58 506.11 559.12 917.64 1761.02 382.03 4623.42 2622.04 760.5 472.32 413.11 1356.23 400.85 510.07 442.74 644.55 602.2 385.61 1069.53 656.48 614.32 1102.02 510.43 1138.75 657.63 772.24 524.05 1819.58 1026.81 787.68 524.68 1693.78 1123.4 3293 411.62 1362.56 2442.88 1487.11 514.39 887.27 597.61 1655.27 383.51 616.06 412.6 587.86 560.08 756.63 917.44 469.24 491.4 601.08 1115.24 678.97 977.03 978.02 751.84 834.37 459.66 783.67 464.61 1154.97 951.17 940.51 1281.15 973.67 1076.22 978.86 1132.4 1087.89 1096.7 Pentacarboxyl porphyrinogen III 3809.89 4999.12 1603.51 2623.13 3386.89 8796.23 2086.7 1512.26 6285.83 1740.07 1592.64 842.44 639.12 4150.7 884.31 2130.69 574.76 1711.71 2740.4 4277.1 2219.39 2170.35 1616.58 4047.23 3130.3 2444.8 1042.47 1542.01 1584.18 1354.49 822.08 3615.75 356 2532.02 4349.62 2280.14 1232.05 1605.76 2068.79 2227.59 1599.64 3760.63 3313.58 1621.84 401.77 1957.88 2569.06 1489.3 1966.96 3024.04 2380.75 2554.64 1687.48 2224.22 2144.9 2560.72 1683.27 429.5 4098.7 2123.2 2681.72 1700.45 1086.71 3542.2 1563.4 3019.37 383.06 903.97 1816.74 2119.1 2460.19 1673.31 1305.89 3789.95 1326.65 2269.88 3228.35 2990.33 3583.19 3330.77 3354.18 3406.54 3168.38 3426.58 omega-Sulfo-beta-dihydromenaquinone-9 2882.61 6222.04 4079.72 6003.93 6867.03 7234.18 8153.36 6619.11 4938.1 6750.05 4985.62 2782.78 2071.57 961.53 1146.4 1752.2 566.69 2003.74 416.88 3175.64 1080.19 2801.58 1405.62 983.01 1538.32 2619.41 3379.18 309.34 4564.71 1005.51 1289.44 2330.53 1441.78 14897.09 10360.53 14610.96 10666.31 16494.09 9457.67 7607.99 26710.62 27505.77 10803.28 8789.27 19377.7 14743.35 15235.26 16976.21 15436.85 44204.67 19849.19 20146.64 9906.2 17527.73 10181.64 14439.55 9195.13 7736.73 8576.11 8428.67 7426.02 7332.52 13295.77 9917.99 7277.79 15400.61 20443.47 9188.99 8624.76 8372.4 13171.27 9045.5 9937.16 17919.93 17444.86 4285.87 1307.92 1917.65 3878.25 9079.64 3307.0 673.79 4876.36 3031.01 655.25 3552.48 4953.35 3476.92 3193.05 7018.59 2863.2 502.71 1558.83 3379.36 2966.93 1730.35 1631.78 16276.41 17582.06 18989.59 17887.84 17553.53 17881.51 18012.53 17895.02 17645.61 [3-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate 27780.58 25050.1 31420.45 21494.95 28181.45 10974.66 14879.79 31697.41 28820.63 26515.43 4512.67 23064.76 23139.46 22356.06 22318.9 20843.27 20551.3 22022.39 27795.87 19882.16 22452.86 12470.1 22877.25 27744.23 20827.96 33555.83 30504.6 28652.79 30941.18 18183.95 18741.72 27961.36 15217.89 26955.94 23416.4 36261.5 26395.23 6288.79 23051.31 15597.9 15423.9 19350.99 24367.01 21685.57 26581.83 13617.42 28345.98 25090.11 12665.84 16318.31 16906.53 18818.09 21269.88 12684.53 12011.47 24418.57 19638.13 18243.41 20212.85 8760.11 19029.94 19519.5 20343.01 22072.66 27656.26 24502.09 17014.85 32286.46 24273.09 29224.34 21027.63 19863.7 8631.32 12199.82 18524.57 21292.92 21293.69 20646.96 21172.29 21304.72 21305.23 17383.44 20878.94 21341.89 3,4,5-trihydroxy-6-[2-hydroxy-3,4-dimethoxy-5-(3-oxoprop-1-en-1-yl)phenoxy]oxane-2-carboxylic acid 2289.79 1018.65 578.64 485.97 491.82 1218.74 1013.09 1652.18 1124.24 891.34 599.69 802.17 1160.55 1229.57 1751.76 2048.11 1033.35 1293.76 2482.44 596.04 1422.49 1110.7 615.06 1713.31 2143.43 2097.55 959.33 1240.46 2116.81 1024.62 1030.36 2372.88 966.67 530.05 612.92 1515.3 1932.96 1274.93 1481.77 1035.3 749.99 969.63 831.94 509.4 965.72 731.4 1320.26 1299.86 3662.72 2214.38 2746.97 960.84 710.67 938.35 2017.88 586.38 799.43 730.54 839.87 2238.29 687.77 940.02 1287.15 455.97 941.21 1153.98 1066.61 848.49 1316.34 528.5 839.21 1413.07 899.69 473.72 1383.28 1183.85 1269.58 1185.19 1172.86 1274.62 1188.38 1259.97 1272.74 1084.17 [(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] decanoate 2448.07 2686.16 2939.42 2901.94 2346.13 2123.34 419.15 1076.82 5992.17 4049.23 4823.36 1789.07 1990.42 850.72 1820.42 1873.37 2131.04 3485.43 4328.81 1475.35 2714.2 1043.24 517.33 1203.15 1447.12 1597.23 4155.69 946.5 3529.73 5746.57 6816.66 3148.91 2557.76 963.96 5637.68 7299.37 10078.59 14498.75 8220.82 11159.71 4156.7 5666.55 15585.9 16414.28 6663.24 7803.19 8573.59 6994.03 1150.38 3802.06 8070.77 9573.5 5549.75 9209.94 6152.8 5409.74 8829.33 8912.24 9448.57 10244.45 5863.63 13418.07 4895.51 9372.24 8927.5 10515.29 12726.56 6169.69 17645.61 9005.42 8646.48 4121.4 7826.24 7147.69 1814.47 6720.21 9443.23 8670.12 8917.33 9450.83 9072.62 9265.86 11346.29 7608.8 Protodeoxyviolaceinic acid 966.6 2422.2 1605.98 1499.26 1576.27 3539.6 2092.46 2416.66 1613.06 563.54 1257.02 1349.64 1715.76 1605.17 1331.49 1628.23 1580.64 1371.63 1506.44 2414.3 1200.37 1109.82 1494.52 1000.82 1453.69 1858.91 1072.32 1347.24 1598.63 1385.49 2353.37 2593.79 2064.34 836.97 1295.76 760.32 2746.32 3256.58 1584.79 956.97 1681.16 571.39 1535.56 1097.2 679.97 967.78 1274.15 1592.73 1102.71 1845.56 1193.49 1602.36 1456.4 2150.93 1925.22 1760.99 1449.41 1275.42 2266.26 1322.27 1331.7 641.22 2536.2 1379.87 1437.2 3282.96 3912.51 1152.37 1329.1 1585.12 1848.13 1737.71 578.65 622.22 1181.96 1373.15 1166.41 1464.69 1394.1 1375.73 1627.2 1379.43 1466.12 1466.82 CL(8:0/8:0/8:0/13:0) 1008.23 604.77 828.59 798.21 682.08 580.07 627.51 1498.31 1816.53 1151.93 574.12 574.15 372.35 436.15 969.76 726.39 696.64 495.11 1285.94 574.83 402.62 1746.65 995.48 762.67 758.25 726.05 575.15 2599.09 522.19 917.64 483.35 612.23 341.77 5466.3 3572.86 5278.48 4377.65 348.42 2607.41 619.98 1484.4 2813.75 4715.89 3701.99 4562.21 3676.31 5097.28 4327 974 3360.16 2350.74 2494.36 4243.93 3189.53 2811.77 3928.28 1733.57 3563.16 3525.13 453.85 3084.82 2767.35 3477.31 4480.78 3203.95 3627.7 3003.12 3615.77 3117.93 4803.95 4276.52 2851.06 704.76 1198.82 3197.67 3790.33 3782.33 3897.09 3661.12 3776.8 3933.52 3784.35 3892.54 3773.66 lipid X(2-) 2910.92 1561.89 430.21 1130.87 10014.93 8598.15 1151.81 7241.44 4908.54 4122.61 333.47 786.59 1350.46 1148.37 7411.69 7314.21 229.39 11210.63 15098.3 10401.99 15088.36 577.71 866.12 420.38 8632.47 1875.82 383.78 349.94 14057.69 935.79 3395.4 19268.97 8543.2 1492.82 1318.66 1441.26 3741.06 369.47 1193.35 884.14 2487.73 1254.41 1516.05 1245.36 9986.2 1274.84 4005.3 1449.32 3430.62 5906.37 2162.49 2172.46 951.95 1180.78 5546.49 2835.62 541.27 672.85 5784.1 626.73 1935.25 566.09 786.58 767.88 1127.86 1981.98 4130.15 354.58 548.55 2229.8 2810.31 1796.58 2035.68 3295.83 1087.7 4984.11 4696.24 5447 4715.59 5362.25 4669.25 4735.42 3894.43 4554.5 NCGC00347837-02_C42H58N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-15-(1-methylethyl)-9-(2-methylpropyl)-12-(1-phenylethyl)- 712.44 1320.36 689.5 1108.62 3723.83 2049.41 1618.6 12101.26 1065.63 5313.76 1447.75 541.15 1301.5 1058.19 679.04 910.55 838.69 6587.97 1303.26 1581.01 634.25 395.19 2718.43 1445.79 1544.57 1102.02 398.89 415.15 946.33 817.94 783.89 1772.92 656.03 27278.51 17138.17 8126.65 21098.97 20708.87 16622.66 13400.49 34328.48 25686.11 13915.74 13211.44 19159.44 18067.47 10027.47 8536.67 4644.15 5554.32 17283.3 22233.8 15577.67 15982.09 14800.1 21402.41 13027.92 10345.88 21194.76 21126.76 14314.42 17412.8 21190.3 16747.12 10006.22 20072.27 30050.5 9944.58 12514.75 21531.25 20665.62 26205.92 14538.54 15590.87 16284.02 20046.66 19938.55 19986.69 19935.44 20068.7 20159.03 19791.91 20070.78 19935.01 2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 4967.79 4590 2875.67 2776.02 2219.45 3293.11 2781.41 3874.4 5128.99 5093.19 3898.35 3120.68 2084.32 4104.13 3596.9 3119.06 2538.72 4228.45 4029.3 3837.41 2017.53 1769.57 3689.98 4573.99 4761.87 3008.26 3060.22 5715.33 5250.97 4527.92 3975.7 1181.8 3183.18 3363.36 4092.76 5357.83 3502.72 3044.68 4582.56 5220.46 4528.86 3648.21 2999.68 3240.3 4679.95 2474.22 3293.17 3311.25 4716.55 3438.04 3716.39 3435.34 3112.27 3274.94 4078.32 2846.74 2122.14 1189.11 2970.95 2373.72 2625.61 1919.84 3195.6 3873.25 4316.77 3216.55 2843.58 4289.3 5885.36 4483.85 4568.19 5123.36 4944.4 2488.37 3414.33 3737.16 3607.6 3639.74 3623.32 3646.73 2739.34 3560.45 3706.4 3712.55 6-[2-(3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl)ethyl]-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepine-3,4,6-triol 32781.52 22530.14 401.05 98184.88 2248.99 34124.55 12875.09 17069.45 16662.36 17420.55 14341.97 4007.9 34973.32 11766.66 2224.88 45462.63 17332.57 26523.21 16194.69 433.37 23136.11 20111.88 14750.74 14213.62 18929.22 26858.68 2534.46 3858.2 5397.15 19443.72 22230.52 121905.9 22160 8029.96 37883.9 720.72 20687.73 622.5 5854.82 651.82 41959.76 53698.24 693.62 14600.74 4021.83 306304.49 4711.92 470.82 1345.22 24293.6 733.7 22168.97 5159.95 10203.15 1071.76 705.45 314.65 1322.39 23345.87 16362.79 13916.39 1086.22 586.22 3467.33 7779.58 54085.79 2446.47 12448.7 5811.54 17418.33 16106.11 14031.1 13165.53 40502.79 19564.59 25331.15 28032.4 27063.34 26661.02 26953.47 27044.97 27024.33 26672.72 27054.75 8-Cysteinylglycinyl-7,17-Dihydroxydocosahexaenoic Acid 2109.26 3237.45 3095.65 2252.11 2643.7 3428.13 1604.71 1284.65 4325.85 2372.89 1833.83 2882.9 660.62 3974.67 4666.22 2805.51 1458.52 2412.43 1653.64 2597.45 2486.16 3757.52 1142.74 1772.93 2230.05 1533.37 1923.6 2509.32 4260.38 2102.38 3530.42 2428.98 3482.68 2500.8 1385.22 1644.87 3947.16 4228.88 3003.13 2611.19 490.54 3075.94 4278.33 812.76 1961.27 3928.01 4653.81 3074.81 773.26 766.73 4176.81 1224.52 2865.72 1918.07 2442.42 1171.11 3309.15 1197.82 2935.36 3095.36 1105.96 1454.7 3033.47 2725.63 1469.3 1911.25 3476.57 3558.55 2467.91 1871.88 3458.44 1473.44 1690.45 2595.48 1802.23 2915.96 2727.06 3074.94 2890.93 1833.46 2810.41 2738.16 2791.29 2870.07 5alpha-Oleana-9(11),12-diene-3-one 8336.6 18517.87 24818.23 16343.37 2456.62 17942.65 17028.49 8266.28 11617.98 13444.84 14939.24 14708.49 16166.21 26510.09 14077.79 20514.67 15996.46 9596.88 24702.9 13366.63 9912.39 12092.63 14343.99 18995.72 3647.73 11859.77 18622.97 25792.33 10861.86 27231.55 13374.75 19416.34 11396.72 21398.19 21287.79 7415.85 10163.64 9574.51 23417.69 19127.66 10095.02 5998.37 23124.28 22457.04 15589.5 18134.03 5259.53 16609.1 13586.17 18501.79 10914.1 8352.01 19195.1 21527.05 5917.79 12612.21 25552.63 21424.88 4869 12250.19 15596.12 17746.62 9298.39 26004.9 20679.59 7883.71 19663.53 20031.93 19429.39 9773.95 12051.4 17918.96 17511.36 26661.37 23949.77 15152.14 15168.94 15271.84 15266.7 15223.58 15272.42 15276.88 15109.25 14700.83 (2R)-2,4-bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane 772.95 515.63 740.13 486.97 653.59 1644.9 2123.05 658.58 1471.34 1087.08 640.52 610.02 1350.32 742.67 919.87 784.93 2608.85 914.49 331.53 345.14 975.93 283.62 734.92 660.42 1312.47 1221.64 966.6 2134.28 571.37 888.07 759.78 369.37 2231.12 301.47 1080.72 769.73 2265.76 1471.39 429.84 829.26 1535.81 1008.15 685.85 284.88 389.79 769.78 806.35 1129.61 2455.98 1125.04 1021.72 906.8 324.44 1162.08 663.1 1368.57 1072.2 1172.45 685.48 2549.41 1210.47 987.23 1377.46 1526.53 1176.02 781.06 1506.62 889.12 841.65 1277.94 834.51 1739.52 480.52 1007.74 1401.56 1293.38 1818.22 1619.09 2086.81 1786.16 1789.3 1834.38 1642.02 1828.77 (3S,7R)-5,6-dehydro-de-O-methyl-centrolobine 2784.03 5666.13 4987.2 6351.59 6781.06 4577.92 2181.44 4421.13 6919.68 5209.22 690.59 3903.49 1749.21 2115.76 4465.1 5338.06 5463.59 3187.31 4548.07 4311.66 2544.02 24382.55 2307.72 5314.37 5485.19 2403.99 5933.29 2785.35 6241.19 5036.46 4259.91 5818.72 4389.48 5764.46 4863.08 6138.18 5047.65 3353.73 3690.88 3735.62 3758.76 4462.4 4668.03 2654.48 5076.93 4451.19 4988.71 5491.13 3579.46 4751.92 4258.36 5395.61 4960.5 5478.65 3807.91 3866.11 5288.2 5101.45 3599.29 4380.51 3521.67 4439.47 5544.62 3360.58 4212.98 5114.88 5562.06 5041.47 5557.91 5209.63 5073.51 5780.12 3372.96 2281.75 5827.09 4610.63 4548.46 4689.43 4896.32 4536.76 4648.69 4534.94 4047.72 4690.05 N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide 8861.23 11389.89 4868.27 3532.9 13932.72 6585.67 8138.15 14188.31 8838.56 6670.65 4520.97 3827.69 6389.5 7420.24 10953.85 8411.53 6464.64 9323.71 10054.13 12066.48 12383.78 14533.93 2618.51 5525.2 10800.32 12500.6 6221.37 5993.15 10999.09 5528.92 7652.65 12053.88 7687.41 2916.2 4839.47 10868.25 9847.38 8008.66 2426.21 7099.33 13285.02 11894.93 5605.89 3221.86 11379.69 7226.25 8938.93 3628.13 3300.65 10640.96 2882.51 9126.7 2704.81 3674.48 5764.61 9597.24 3288.57 3875.24 8724.08 2333.3 2764.53 6762.83 6026.55 1262.76 7046.4 7016.96 12786.82 6248.16 7604.64 4509.91 9245.09 9125.63 4643.68 8071.87 3221.67 8261.03 8342.96 8192.17 8240.28 8341.94 7345.42 8192.51 8342.9 8345.97 N-[2-[(2S,3R)-2-acetamido-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide 12942.75 4151.77 1750.22 1150.25 4617.83 4314.69 2053.54 10335.29 5331.22 4113.07 4064.79 8919.53 2949.91 3430.09 3281.86 10919.94 3201.66 5594.15 4883.07 4503.02 7385.75 2581.28 3274.56 8405.67 4382.59 6186.53 4100.9 4271.22 8001.17 8676.84 5999.61 14800.52 8109.11 8929.29 5480.5 10150.3 3992.37 3590.75 3049.18 2833.07 6874.98 9456.45 3667.13 3062.71 13980.73 3541.8 4869.93 6222.22 11035.13 7216.08 11463.71 5913.07 3512.24 3910.98 7108.02 3267.78 1993.29 2621.06 12376.93 4341.37 3992.68 1605.71 6896.81 5611.69 1294.21 8878.52 2916.5 3058.86 5150.95 5882.55 4273.42 3908.09 4584.93 2867.74 2611.41 6175.03 5933.37 5532.46 5407.98 5844.21 7053.78 6058.46 6150.25 5855.51 octanoate 2512.56 1135.3 2285.92 2743.3 828.4 3358.22 3272.17 3338.67 2657.52 3263.22 3077.89 3333.51 2769.72 2724.95 2947.7 3938.79 972.38 2868.4 2721.55 3705.84 2687.3 1980.02 8636.9 2941.37 4061.96 905.33 2851.64 3244.66 1014.31 3067.81 2300.29 4017.11 554.48 4781.6 3539.51 3204.48 2162.71 1356.11 2642.23 2268.13 2735.12 3943.69 3455.38 2229.26 2819.94 1579.15 1863.35 849.79 11430.09 4216.93 3039.21 2161.53 1904.45 2982.76 1457.78 4512.41 966.98 894.02 2496.23 2467.45 980.31 552.79 2327.92 2953.03 2558.38 1641.66 1251.42 2235.76 2623.18 1605.62 2100.04 781.46 3363.15 3446.26 1489.39 3006.64 3035.46 2704.71 4711.1 3432.26 3457.1 3427.67 3019.4 2233.89 1-(1Z-hexadecenyl)-2-pentadecanoyl-glycero-3-phosphoethanolamine 6224.57 8327.78 6661.39 9692.51 5461.17 397.18 19290.84 20153.78 7467.96 7399.56 8090.88 5800.62 4708.36 6145.21 4779.34 4782.88 6340.48 5161.69 2441.36 5032.49 7717.81 4778.53 4657.54 7314.45 6608.29 5638.68 5229.97 6747 6696.64 8260.52 841.87 8088.03 5701.68 12442.9 10523.87 10536.5 13280.14 15869.65 9111.67 7926.96 9765.65 12262.77 9927.04 13215.11 11120.56 9971.54 12015.57 14097.84 6026.65 10824.88 26966.07 8744.95 9379.72 8515.94 9090.68 11254.17 9583.25 10199.67 8231.29 11922.21 11853.41 9662.63 10841.09 12154.1 7811.89 8171.15 9410.62 8329.34 7758.65 18384.84 10564.46 11274.05 10659.04 12165.43 7208.87 11644.84 14273.14 10647.83 9719.41 11267.43 11435.92 11060.78 11886.71 10641.48 Malvidin 3-rutinoside 942.14 374.1 269.46 752.23 787.3 382.05 531.67 3516.86 1590.27 817.29 564.38 488.61 527.92 732.4 827.89 341.25 600.24 3211.61 369.88 495.98 282.95 389.58 378.91 693.35 565.11 366.25 408.22 2050.31 1311.92 479.25 675.02 586.63 607.15 354.41 760.63 3716.8 3094.12 416.71 475.07 1263.39 2979.36 1689.99 637.43 334.72 2948.45 697.8 3505.56 1501.72 481.94 1346.93 355.05 500.18 304 631.79 566.66 405.74 365.75 699.78 1086.71 621.1 745.69 429.74 734.65 341.57 633.12 1263.6 970.09 338.41 1547.85 2417.23 779.94 1125.18 2494.6 323.38 383.29 1318.35 1317.14 946.83 1527.61 1311.06 1229.51 1345.44 1276.4 1209.64 Tyr-Phe-Thr-Lys 570.93 517.36 734.14 624.41 818.45 661.43 581.24 465.53 806.99 454.38 392.02 727.27 1111.4 356.35 797.61 362.42 729.76 749.44 663.4 813.92 288.36 962.36 575.12 573.7 427.59 718.73 314.84 380.62 702.47 1084.45 456.08 827.82 994.41 1264.78 649.71 510.49 342.66 550.11 1031.65 893.66 10085.17 945.38 1567.87 903.16 492.13 674.59 785.02 537.76 1316 1225.08 2116.9 328.53 984.26 3168.09 827.78 358.58 363.37 1582.33 1662.94 399.2 670.63 1339.16 1118.58 426.24 1632.07 1099.76 468.18 1766.06 1181.85 864.07 1853.41 647.31 860.11 1043.47 805.57 1298.9 1361.27 1271.93 1683.22 1440.66 768.17 1670.29 1234.52 1282.1 oxalicine B 2823.35 877.63 3823.03 1524.43 2506.83 3639.22 1606.9 2030.16 3339.67 1808.9 663.99 2062.03 2375.49 848.14 2000.53 799.85 3196.6 1023.28 1057.03 2518.36 1078.41 1739.67 2766.84 2498.21 897.62 1843.79 1966.74 2853.58 1751.53 2123.66 2795.78 2814.47 1505.57 2436.23 1562.6 3272.92 1735.81 938.36 3292.78 2028.1 4392.58 1152.44 1344.55 3720.71 2702.39 1438.96 1069.57 3074.05 765.98 3866.42 1281.32 2953.19 1305.81 3543.48 2366.94 1231.8 2270.51 2550.68 1822.27 1185.23 2826.91 4505.89 935.02 3557.09 3442.7 2056.55 3124.55 2116.15 2583.3 3073.18 3184.68 4150.27 3751.15 2354.52 2553.96 2682.2 2686.03 2513.32 2679.91 1792.79 2851.89 2496.28 2515.84 2687.57 Leu-Val 9013.17 13859.41 13582.84 17082.01 58884.36 15111.64 32141.1 50999.43 105443.58 22540.04 19664.21 10792.9 21908.45 10093.56 121510.34 10793.02 5544.15 23560.9 10025.75 10326.11 23378.04 8650.3 10171.71 13446.85 66509.35 42382.66 20625.67 11326.6 43855.67 7150.85 5758.74 8856.74 47390.08 9372.97 16407.53 24038.94 12139.15 5177.8 10149.25 27611.6 9007.8 7450.48 57584.39 18145.16 14360.3 27930.4 15318.14 19314.87 15318.39 9471.05 45128.26 12981.25 16308.56 28102.41 18094.3 22442.64 26175.67 31011.37 50445.57 13843.03 9088.1 9616.35 26257.55 19201.85 26880.66 10630.31 11545.87 14288.07 3579.49 27223.5 59934.46 7651.27 12480.33 33300.39 10935.32 21818.46 20888.36 16386.98 21407.56 21365.8 22954.95 20877.19 22472.28 28534.07 (2S)-2-[[(2R,3R)-3-azaniumyl-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate 4581.19 5314.96 17303.57 18372.72 7185.76 3248.9 23104.18 3241.18 9870.86 2005.34 1537.37 2885.48 14331.89 8978.61 9970.25 10486.25 10097.53 6497.84 9540.88 5059.4 2793.69 4833.24 9275.31 13440.48 4248.97 4324.37 8256.16 10189.5 6790.08 4439.73 2672.44 4050.38 3883.24 12353.16 14220.53 5215.24 2705.65 5705.49 10625.45 14274.77 4622.59 6080.91 13064.2 5140.91 5998.2 29405.88 7091.33 3949.34 8886.14 9150.06 23413.11 5654.11 15076.49 38070.45 9780.91 2082.83 14224.53 15652.2 1518.02 10508.84 10030.85 4987.34 5584.94 31129.95 7858.96 5698.52 4924.49 2847.88 2173.35 5794.97 11927.38 2067.34 16086.2 22135.42 19454.85 6785.8 6806.75 6256.71 7070.44 6369 6247.82 3268.84 6842.27 6785.78 3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate 34062.7 28949.79 55284.1 48927.4 31472.82 24557.81 52016.18 42549.83 37023.5 22473.57 43596.24 36689.02 31349.65 36561.35 31510.25 42700.92 25424.89 28396.4 1227.1 38655.66 35743.73 1170.1 23993.94 35812.69 33578.39 27169.35 24242.06 43342.11 2513.5 1358.54 30344.49 4295.15 1468.96 51776.33 83050.23 24912.8 38540.71 24226.06 54553.4 60178.65 1702.54 25910.25 46492.16 37124.34 28415.02 50523.99 35832.26 18898.37 25614.5 31280.54 43018.8 35958.62 59542.86 91073.06 34127.69 28391.37 48914.46 64224.43 15295.34 29125.75 39495.11 33472.39 62881.07 100560.86 31923.9 35743.25 35512.66 26343.1 36833.48 47108.31 33958.9 25377.4 68512.22 70168.63 75986.01 40068.68 40829.38 39627.04 39931.5 40039.3 39885.37 40073.34 39784.06 40073.32 Simvastatin 44089.14 51523.96 55900.57 68408.82 54358.39 68087.36 33103.38 24329.37 38420.11 46160.08 22519.72 44408.11 47779.22 52632.38 42064.96 51408.34 83011.77 76562.61 49326.87 54351.1 65699.97 50274.01 47129.05 37798.68 39409.77 54330.08 43575.21 43799.52 41929.57 52758.9 53031.54 44285.35 49560.28 53287.47 48454.37 57992.24 49394.98 63919.04 59983.35 47685.84 47037.39 40048.45 41951.77 52326.29 37863.28 11747.74 33703.96 38819.91 26813.38 50840.97 55106.93 38914.85 46879.38 42563.79 40196.76 54905.79 61470.43 55602.53 53610.03 46195.65 53674.06 53330.34 39153.36 46019.78 49302.91 34894.51 51064.88 44297.28 40640.87 39720.1 40538.6 36464.48 31968.63 50977.33 51217.4 47280.05 47449.68 47487.32 47604.91 48055.31 47873.25 47867.94 48167.94 48080.17 Osimertinib mesylate 20389.77 881.66 2802.65 2504.62 37735.13 4949.87 6307.49 26125.88 37615.65 11069.06 8337.41 19688.78 2829.52 622.73 21313.69 21730.86 514.57 16617.33 16532.5 42688.53 28423.1 1765.09 928.79 5456.24 26059.55 16786.17 9074.32 8613.79 34854.98 19575.54 39199.33 35044.38 12144.85 1270.6 5829.71 25198.34 15593.95 9740.28 2384.56 6611.25 34274.74 41734.97 4864.07 2370.46 34380.74 7251.3 28727.53 8717.37 7583 25652.64 11205.07 13604.15 5601.36 9937.85 17612.47 8230.33 720.43 1568.67 20088.8 968.58 4680.05 803.58 9972.88 5268.5 1572.77 30513.42 24609.82 8437.19 7935.69 19065.12 20343.16 17515.81 10492.93 4157.91 3014.38 3568.99 7122.42 4026.24 6294.15 4412.77 3646.46 3266.16 4391.11 4588.56 5747.63 2450.41 3621.49 4206.69 5594.58 5324.26 2740.77 5616.5 4921.26 4230.42 4127.64 5675.38 4432.7 7484.2 5525.98 3989.83 16788.06 16936.5 16783.67 16098.69 16807.12 17026.21 17043.86 16850.63 17028.89 4R-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1S-methanol 1585.92 2892.81 4977.71 530.16 9036.91 3724.27 910.37 5589.86 2027.1 3225.68 599.3 6942.55 1089.54 2922.77 8425.33 801.34 1476.66 3095.6 2790.49 5391.1 2794.8 735.99 369.71 4097.62 5427.57 806.01 1735.28 3140 9282.23 1855.23 4051.83 3381.77 474.48 10067.04 3698.82 7396.36 3994.8 834.55 1085.87 3386.62 12793.79 10552.09 3107.3 3703.19 7344.03 3017.56 2358.84 889.63 534.62 5980.51 4708.47 3700.86 3216.56 3699.06 5806.26 7351.19 1280.33 1424.16 1033.16 3327.34 1108.57 7555.76 3843.61 1514.71 2400.1 11750.88 7857.21 7782.41 2485.16 639.2 2108.39 4202.7 3211.74 2245.44 1409.4 8233.71 9370.74 6630.89 5840.42 5272.5 11283.39 11251.87 9117.42 12261.11 7145.55 10975.77 12584.82 11578.63 9604.2 12112.55 8203.4 12470.96 11748.26 7518.79 11418.22 6650.88 11512.06 10644.28 13662.84 10117.02 4261.75 4537 4453.34 4226.86 4178.55 4581.8 4798.04 4144.58 4605.08 Asparagylcysteine 37297.51 32464.32 35481.79 47482.38 38597.78 17299.19 73643.63 56656.99 30530.3 19084.4 19230.77 20446.29 15846.24 14244.88 46245.21 33900.27 18656.53 38996.95 3437.29 22619.65 32643.43 13807.7 18427.16 25719.49 38422.31 19566.71 21740.2 8624.39 41942.58 13886.76 34729.87 12983.66 19751.02 37374.17 23605.56 30822.23 47381.6 23430.95 36637.23 67144.42 12072.72 17983.55 31910.58 20112.56 32378.56 58331.51 48342.43 29921.78 12153.1 11086.4 39329.75 43722.6 34495.57 56718.1 37370.28 32675.06 38265 29547.99 29261.43 21586.3 16714.68 58303.37 37642.37 43756.93 11872.32 60843.72 19165.24 23633.03 32138.74 58685.43 39151.77 20092.12 38386.57 51059.56 75824.38 28957.98 26501.54 27278.14 25226.73 27297.77 26715.96 26423.16 26414.36 28109.02 L-Histidine,L-lysyl- 18276.92 2357.47 4034.06 3198.95 15075.69 665.14 2713.71 2756.55 8833.99 17533.93 636.31 1347.21 372.27 14230.31 9242.94 5636.58 246.65 5355.66 9862.23 2731.5 9840.45 71337.72 812.32 4473.07 10001.57 4118.49 4626.76 5505.24 18232.49 9022.02 7437.32 2214.37 1103.7 2095.21 1454.2 28752.62 11841.76 229.85 2539.38 5508.46 35254.23 16258.42 5148.48 10210.82 20194.9 2880.7 5151.74 3059.9 7228.9 7473.66 12390.29 6143.44 1210.81 383.83 8267.38 939.86 1354.36 1537.26 3388.81 298.1 4085.13 10912.24 9799.62 1190.84 456.33 12013.15 3766.71 1378.51 12313.93 12217.86 8992.24 995.78 1264.81 4080.55 6175.81 12967.77 12935.46 12551.42 12715.66 11634.36 12742.1 12949.13 12882.02 12935.84 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic Acid 3856.77 2320.09 2445.1 2610.49 4245.77 677.77 2121.13 5209.17 7039.74 1803.7 6948.83 7037.14 4848.42 5603.33 4588.07 3911.04 1701 4856.78 6172.73 8617.67 3123.01 963.6 2207.43 3809.18 4842.36 5238.17 4006.84 4709.2 4314.73 4986.98 7854.16 4368.65 3431.52 2879.13 2755.99 3586.85 3884.51 1440.8 2525.02 2424.61 10094.25 7175.76 3285.58 4326.12 5524.94 2956.34 6696.96 4184.7 3397.41 6479.36 5825.33 3653.98 3158.2 3526.87 2206.79 3297.32 1825.34 2241.98 3015.83 927.62 2060.65 2651.36 2795.91 2719.66 4066.44 4215.45 6633.13 3979.51 5247.36 5022.3 6394.01 3381.04 4118.37 2527.5 3747.31 4482.02 4330.34 4094.62 4152.21 4276.35 4130.32 4307.76 4304.27 4316.7 Niraparib tosylate 19546.95 1585 1676.47 6447.47 58887.71 1510.19 10733.63 34535.62 21302.93 23326.37 1668.04 30072.4 26958.48 1895.4 20533.77 31813.99 5783.89 36517.72 41092.24 30664.66 30724.72 12818.21 15358.29 3009.51 28690.83 26721.56 14019.89 2078.02 35053.63 22693.01 1750.13 70898.22 20628.25 17168.96 8131.34 24610.99 21866.99 11012.51 10771.15 5372.97 22837.49 40343.01 4885.52 12466.81 34120.49 24004.63 21400.64 14567 40493.67 40828.4 34703.19 14515.24 5896.46 9487.52 20024.83 15752.34 3544.97 5131.08 35833.02 14440.35 7353.71 10349.1 24722.08 19353.71 8788.44 25784.36 16893.61 14153.99 2770.18 23445.12 13791.91 17392.35 13697.34 10742.81 13916.22 22326.62 22626.32 19148.26 23120.55 23677.01 22940.99 22562.8 22347.23 22303.62 4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate 84042.49 83475.23 95883.83 81895.38 92049.14 56817.94 118440.05 139215.9 96410.66 89721.23 53807.11 74725.73 88450.63 89328.29 82032.83 81060.34 72808.67 81796.21 93044.33 74258.69 126543.27 58310.74 74496.27 81690.41 95288.09 87286.27 93392.35 97984.53 105016.86 70864.2 70994.45 86067.47 73866 95739.93 84503.33 81221.27 83359.11 44181.08 79315.08 70606.55 64554.16 70733.2 88878.56 70746.7 81032.11 62867.09 90943.56 85563.36 55631.07 68339.26 60341.74 71007.41 78874.38 60985.34 101570.59 84855.56 75342.94 68518.78 77747.2 47445.57 67846.54 71333.26 70512.48 78357.54 77217.55 76321.52 69617.59 95797.26 86025.27 86423.33 71496.18 71109.26 42410.92 57494.48 74068.42 75023.36 74797.63 74800.31 75850.14 74797.97 74943.72 75091.79 75093.83 75092.15 Tyr-Trp 762.97 2135.36 812.31 685.32 1876.45 1297.27 1565.1 2501.65 4161.98 1763.79 1509.09 1516.43 1888.47 1423.82 2426.97 1569.15 1091.45 1167.36 2638.43 7119.63 1355.89 1104.56 497.6 631.41 968.92 939.28 468.87 1482.61 2227.5 1072.87 1328.82 670.84 2099.38 1224.89 448.44 1939.32 913.27 613.33 699.4 474.12 1120.38 1376.22 1412.27 846.92 910.77 1496.55 1522.89 1591.12 2047.66 1746.31 713.19 1373.13 2351.3 679.23 2257.02 952.51 901.47 940.19 1754.43 711.74 739.46 927.3 3113.93 892.82 1304.58 1150.51 2608.72 1883.82 922.48 920.83 1330.7 1102.22 758.95 2024.37 938.99 3100.32 2319.99 2447.14 2662.7 2312.03 2388.18 2683.23 3064.23 2645.09 Sinapine 3797.05 25656.27 5012.32 20630.02 19959.28 15914.84 9511.99 17722.85 20798.53 30160.15 7825.56 7180.05 1561.29 6961.4 7330.32 9965.06 2640.33 13391.02 13839.23 15291.5 11183.71 2986.72 7356.69 6788.57 11765.49 17326.91 6250.74 8383.66 13763.14 3729.39 9613.25 10381.22 4919.02 9987.8 8788.12 12857.8 19879.12 30719.82 8009.76 10285.17 17028.06 16270.2 20924.74 10379.86 32775.62 13133.64 67675.49 17696.93 6725.85 15254.13 10802.21 18841.05 10132.01 9650.89 8245.53 8584.44 13754.34 17425.03 15965.62 5394.96 7760.52 4642.17 10571.87 2517.73 3341.53 13798.32 21126.76 3664.72 5259.67 10877.78 14929.58 28012.89 9295.68 9600.07 6541.09 13024.1 12079.68 12551.92 12550.57 14121.78 13086.69 12649.29 13361.77 13197.94 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline 5668.43 4984.77 4523.63 486.76 1101.08 5088.22 10538.38 4093.26 6576.93 5928.02 2528.57 1221.95 6796.55 2973.24 3137.06 970.14 1163.43 6195.19 6379.15 102042.33 749.01 4526.59 2501.96 3716.9 7350.02 6114.73 4917.04 850.93 2226.22 747.59 820.51 5722.19 4709.55 1603.1 3098.26 965.37 2483.46 3980.1 4082.02 6311.03 8429.31 1158.7 1240.66 1279.53 2717.55 742.16 6117.65 5948.07 1007.66 7171.86 4209.62 1660.68 2651.13 619.22 1336.56 4934.55 10516.75 2700.72 2335.16 4395.75 1580.27 821.73 726.2 3465.1 5086.51 2042.98 5707.45 3809.48 7470.72 7401.12 19836.15 460.74 2390.87 1674.72 4202.45 5947.31 5754.44 5934.18 5793.54 6071.3 5711.47 5730.93 5688.91 5974.82 Trp-Pro 20840.75 15027.89 14514.33 8894.37 3383.43 4402.84 8284.32 22487.32 12257.18 7036.35 1845.13 1096.55 8147.81 9094.04 21259.97 11751.93 5846.64 27475.94 10363.78 12497.01 12558.52 6042.4 7830.76 5232.62 16570.02 5608.63 10699.35 11698.03 21203.97 7294.23 18633.85 11102.89 6386.44 9726.2 8968.24 14076.22 20492.11 1478.52 7251.97 927.05 6386.47 8962.27 8425.35 6675.75 11437.75 5128.22 19686.9 13333.46 4515.91 5834.8 5989.92 13672.2 7942.03 4723.88 8661.41 13749.58 5685.31 6600.13 5993.5 3247.13 7574.05 6021.71 11082.38 7202.91 2418.5 3781.9 2106.36 4780.19 6491.4 18467.06 6268.03 7713.03 6781.9 9351.26 7914.88 8849.6 9795.9 9961.02 8511.68 9355.21 9745.94 9455.6 6115.06 10304.13 (10S,13S,16S,1R,9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0<1,9 >.0<2,7>.0<10,15>.0<12,17>]nonadeca-2,4,6-triene-14,18-diol 1981.6 296.6 88.14 14862.83 41507.95 80827.78 43750.5 1309.2 186.27 221.62 303.96 1799.29 8572.19 147.97 144.23 192.71 386.51 150.24 1467.2 162.29 275.82 143.2 1278.14 1204 141.39 352.58 2771.79 199.46 327.05 763.47 301.99 1723.57 194.32 2392.42 308.94 632.52 104.51 1229.43 83.35 422.8 17610.97 4136.96 1272.39 98.69 187.77 22108.91 87.57 84.96 847.57 1285 2637.67 299.4 132.34 1802.8 3285.77 114.18 212.24 570.83 805.1 2204.6 824.33 1292.58 1111.62 337.55 381.72 1783.03 187.36 83.93 242.71 406.27 201.68 247.36 502.98 1358.29 2914.77 5555.73 5478.04 5424.21 5441.3 5463.66 5326.64 5432.22 5419.41 5431.3 Ozanimod 18657.46 18256.59 7587.96 8192.77 21696.22 37880.43 29063.49 17307.73 24724.26 7554.31 5869.2 967.3 9219.32 2661.98 25432.33 10361.37 7713.3 22952.1 2959.75 24359.16 26505.72 23834.91 1640.68 11233.41 19739.93 27269.43 7583.72 4523.72 23400.85 5620.25 1637.29 16945.34 11560.22 13487.73 8923.24 17340.38 20997.86 19332.94 1281.29 6085.79 11054.97 35233.53 12164.33 4806.15 15729.06 11790.58 23880.5 10814.84 4776.28 13476.86 15910.06 24276.1 8566.77 13579.46 12473.55 20727.8 5236.47 4478.34 21738.65 16523.45 6614.43 7996.24 14948.03 14049.82 6305.23 20457.99 31599.08 6415.98 5174.06 17907.08 17552.66 7390.89 10332.13 12913 14795.75 13763.91 13995.65 13484.78 13760.25 13445.86 13445 13764 13768.58 13753.45 Protopine 60410.1 57457.71 33799.14 31970.64 81856.9 96465.8 53996.3 79932.91 97287.9 63680.9 41262.56 45064.14 45168.84 39755.3 80273.04 63358.21 40148.68 58652.71 60158.78 103825.7 75192.5 61979.83 38829.36 45445.74 83448.18 85187.23 48901.42 43213.08 80337.58 46824.66 92939.01 78435.27 49132.46 53414.13 42128.99 77041.64 70551.97 60844.15 40129.96 37634.34 90429.44 117189.27 46106.94 35607.26 95766.73 46319.73 93449.06 47192.74 36045.79 83191.56 68007.2 60847.05 41915.12 53519.62 49071.88 65821.78 26999.48 26967.48 70531.44 35359.86 29248.87 43609.44 53683.75 46569.01 32600.69 82811.91 93834.46 47058.41 43954.5 69308.15 67794.98 58337.14 43647.14 45587.32 44119.41 61147.03 61018.04 60817.53 61057.55 60603.01 61149.29 61153.81 61146.13 60696.42 Arginine Hydrochloride 807.44 1533.97 1017.79 616.84 1306.36 1089.71 1277.61 817.86 1462.79 1862.4 628.28 2699.77 1081.82 338.71 790.38 1419.46 529.45 726.18 1159.37 907.59 764.36 651.3 473.84 650.9 2409.57 1216.97 441.3 435.37 1767.86 447.05 604.86 1061 367.99 733.04 620.78 555.53 615.16 636.13 656.59 839.12 1778.75 2414.07 598.59 663.16 731.73 737.89 793.13 444.21 542.04 792.88 579.43 800.89 940.61 1508.04 591.54 2153.55 464.36 565.09 683.07 1014.03 3804.85 476.59 1038.2 712.41 1781.89 2130.26 468.44 968.26 634.47 1113.1 1465.03 433.15 700.89 562.35 918.11 1155.23 1383.03 1108.34 1245.63 1677.17 1247.91 1351.7 1060.79 1321.18 Asn-Ala-Leu-Ala-His 919.59 7381.71 5308.71 6761.76 10699.73 332683.95 127071.48 10118.51 9222.02 9144.81 7180.8 10107.69 17848.9 9128.12 9199.72 10856.16 7355.23 11231.08 8441.26 14895.93 11801.54 3041.1 7875.21 7766.45 7607.97 9119.88 8196.31 6975.91 14835.25 7376.2 11557.66 227403.13 7712.37 9380.65 6840.07 15942.83 7658.06 9109.76 7799.48 7422.2 27654.1 13613.8 9863.95 5795.53 13914.72 14760.85 14298.92 8805.59 9146.27 12775.09 8325.25 10465.91 7572.03 6473.05 8352.09 6728.69 6006.68 4740.18 8265.97 9677.06 5912.46 6743.91 6739.15 7329.35 3559.14 8512.58 9980.25 7117.53 6211.19 9656.2 8636.99 10032.81 5574.47 8164.74 9330.75 2602.94 4141.59 2655.76 2868.27 1887.85 2401.19 3612.79 2553.25 2777.42 1696.11 2354.69 3251.68 2439.59 2761.02 1392.47 3372.2 2183.64 1492.95 2422.96 2161.03 938.71 2085.92 3089.01 1815.22 29079.33 29192.6 29168.99 29314.96 29481.24 29069.75 29197.14 29482.4 26933.36 Val-Asn-His-Val-Thr 10985.13 9580.4 6618.92 9326.14 83882.35 314290.11 144462.55 14460.1 13231.16 12867.95 10788.94 16257.28 18592.23 13154.61 14725.67 13838.09 8340.63 13379.64 16227.9 20830.22 18392.92 7746.41 11664.42 7120.65 13271.98 13634.1 10745.17 16021.08 21162.61 13074.05 13989.96 278240.13 9258.77 14362.74 9618.37 17519.17 12173.72 11415.04 9993.28 9123.96 29559.13 19684.29 8431.26 10294.06 16518.09 14353.22 18436.36 11718.82 13768.8 17073.9 14545.04 11552.09 9775.77 11600.74 11121.92 11149.01 8818.15 6546.56 15021.13 10435.55 7532.96 8869.9 8911.32 7593.06 5884.75 13009.33 11479.96 7554.6 13104.09 1216.43 10513.9 11013.4 9201.05 7568.79 14249.75 30771.17 30769.67 30776.16 31188.44 32634.23 30793.75 30942.25 30571.94 31182.35 Arg-Lys-His-Arg 44158.16 63499.1 54310.93 55863.77 63199.57 70241.56 44255.7 33074.56 45377.11 46301.12 40176.49 66620.87 96497.82 70569.83 58938.04 62801.25 60782.04 78031.93 67991.05 78893.21 76217.89 71250.2 69067.39 33175.52 39023.71 60612.14 35287.5 46531.2 58210.81 62990.32 68819.97 87830.26 92105.8 65008.94 51090.24 69906.85 63720.41 73639.51 69202.17 57832.03 62309.2 65391.5 50398.85 45668.34 54911.85 28028.83 47486.99 57446.6 47562.89 74789.17 55547.34 60786.38 47459.89 54782.06 44092.22 66181.65 59015.91 40443.22 40531.31 42961.19 41906.65 39389.63 47589.32 44174.99 42296.47 47993.07 60919.85 44966.79 45372.62 42511.19 47418.79 46050.53 40670.24 73464.75 62107.25 6212.61 9816.76 6841.6 5962.68 6267.73 7376.86 6213.72 6268.68 6414.2 6231.53 4975.09 5842.95 5568.24 7305.42 3882.74 4626.16 7174.89 7931.54 5805.51 6409.72 8077.15 5833.73 6136.65 6352.04 7826.02 59310.93 59313.1 60091.82 59347.54 59359.87 59403.24 60227 60128.16 60110.83 Ile-Phe-Arg-Lys 3814.93 4091.87 2274.23 5160.48 5424.99 3119.17 4751.2 5923.4 4934.41 1447.26 1769.55 1226.06 2168.76 7818.02 3536.23 4867.25 725.9 2454.52 22778.67 1766.25 7033.71 1655.43 889.75 2077.28 4541.84 2408.34 3705.7 5354.22 3042.28 2500.95 7968.66 63954.44 4988.74 15528.28 11086.87 4977.29 7818.93 8656.63 8213.18 6087.68 10766.55 8104.4 9614.79 5315.47 13061.99 12058.15 14014.78 8296.86 33435.14 22200.67 14761.07 16095.59 10248.56 15644.68 9462.04 16364.76 9230.94 6610.71 7700.01 13469.92 5557.44 7863.91 2297.53 7651.57 8092.39 4687.79 14356.24 5652.61 4871.99 9935.58 7646.71 7377.16 54001.92 45003.48 19796.99 11857.12 11861.43 10754.89 10991.99 12954.03 11432.18 11641.1 11671.52 8888.63 Ala-Phe-Gln-Lys 29772.72 23358.78 40613.4 13292.67 45215.16 31704.18 28007.29 33625.12 19530.4 70895.66 33441.28 14511.24 15430.84 18378.41 28659.22 29498.86 73777.86 32900.97 40993.68 31448.18 33063.96 21251.66 8172.95 8550.54 22275.64 28601.08 26750.41 25810.62 33191.19 12230.87 27088.47 2946.25 26812.64 17547.91 21233.27 26154.58 25352.95 32282.81 14088.29 18582.2 36890.72 30708.31 33300.38 32771.25 38084.78 32151.07 25247.34 24783.69 8139.84 28279.48 61454.07 24454.93 33779.21 102888.85 21486.31 26691.96 53268.15 5961.96 37487.6 10355.73 30586.43 11584.2 28797.74 8375.49 17475.5 26961.73 27464.79 24149.55 30876.7 31257.5 13305.52 24263.07 18497.18 27259.92 14026.43 28852.36 28661.16 28705.49 28265.79 28718.25 28794.69 28808.7 28792.91 29577.79 Arg-Asp-Leu-Tyr-Ser 28814.76 29245.89 12029.93 14912.16 27730.9 32902.48 28857.59 38159.4 48614.44 28396.51 19500.74 7569.32 10264.52 6907.46 23163.33 20928.6 11947.9 28095.7 27531.61 74924.69 28740.44 26034.79 24332.4 17663.07 25846.83 36886.19 25729.09 19661.03 11809.12 13917.39 32483.81 5472.13 23976.79 36017.83 18859.79 11949.4 40849.73 24648.64 28339.11 16909.93 62606.9 35687.04 19564.73 14604.94 43830.89 22906.03 13409.91 8068.67 10067.97 5964.95 34720.26 23746.93 16680.38 16971.31 20139.95 18652.63 13412.52 11895.52 19994.9 17819.79 14438.29 19404.41 15544.66 14008.81 9790.03 28661.71 28868.32 15780.94 12277.71 19203.81 19243.47 38762.54 15647.39 14983.32 18580.59 23949.46 22992.67 24684.86 24649.65 24063.17 24651.57 24719.8 23814.52 24707.98 Kalkitoxin thioamide alcohol 60544.54 72635.72 49738.12 55556.05 79002.4 67495.07 79985.07 55990.11 54454.83 59738.5 52735.35 45250.65 240338.92 52886.32 47925.7 58538.01 59507.59 49669.4 55204.14 54331.03 57880.26 50039.21 52292.56 41541.52 48139.83 67753.4 57537.63 65209.46 57338.38 72377.05 48990.61 57142.24 60801.69 76237.14 51274.68 62266.04 56150.24 78033.06 49733.91 65610.96 56192.33 49063.12 42635.97 50813.14 46426.25 27200.29 45162.82 47822.01 27883.67 66505.67 49308.38 48440.99 36696.28 49615.41 45652.66 54561.69 57332.35 42155.75 55537.69 56969.05 62643.17 48231.1 45192.54 49195.32 38010.71 35413.84 50827.12 42851.23 41297.93 44670.72 47682.16 49194.65 37493.16 54563.45 71024.74 9808.41 10830.61 11242.54 9316.15 9674.96 9415.9 9151.31 8667.47 9503.14 8588.66 7595.8 8720.84 7078.26 7997.27 7081.75 7437.13 8513.86 8111.4 8387.55 8027.09 7435.22 8423.2 7870.62 8432.37 7954.99 53145.96 53154.84 53585.85 54905.68 53553.25 53205.63 53585.93 53156.22 52711.92 Leu-Ile 4135.45 6611.62 5597.42 9055.95 23195.26 11735.08 1120.44 42504.7 34319.03 8306.06 1858.58 2963.46 5097.07 10226.84 24038.97 14686 7686.44 9219.13 5259.33 7919.77 6495.04 2089.85 2611.76 4429.79 16142.03 15772.08 9304.69 3386.98 13555.27 4322.02 3546.34 4253.61 17019.08 8660.99 4270.96 9772.83 9604.73 2985.02 9336.39 15922.21 4763.96 5790.97 9701.33 8994.69 16014.31 18222.21 8524.71 4208.16 8143.1 11220.91 24692.72 3968.27 5970.59 11196.11 21415.86 6105.3 7893.3 9204.55 10253.31 5462.4 6824.93 2403.42 12382.16 5539.57 10997.62 27309.38 2899.97 2473.53 2708.55 13502.47 33420.18 3475.87 7565.52 24096.37 4873.27 11479.47 14069.44 11349.14 11220.61 11778.42 11191.25 10568.73 11251.54 11157.34 Lys-Val-Tyr-Lys 52265.74 28336.77 532.19 35773.4 30861.31 997.24 3311.61 6162.55 1612 1707.78 16112.25 25385.89 27038.06 25813.56 22090.97 19062.8 1440.05 20428.9 17936.96 1325.2 29491.15 924.93 12711.68 16240.24 26540.21 1178.74 22344.21 18791.21 50615.19 31333.8 29883 1102.61 20398.3 21976.31 8892.31 30854.1 22275.46 6858.16 18883.12 8646.02 42938.81 13815.78 22899.4 13414.05 52099.87 24441.62 31469.14 22578.03 14072.03 35350.47 52959.47 30172.96 21601.99 25756.07 31619.74 11207.93 5865.29 2834.78 24986.14 8947.82 12774.09 22065.36 22945.5 6109.08 9127.19 31395.28 16732.04 9045.27 11244.86 52527.17 28896.43 5818.77 34826.7 7118.55 24436.13 24858.84 25760.66 24847.45 24838.99 24281.52 24617.77 24912.79 24864.84 24494.22 Lys-Ile-Val-Lys 24103.99 1195.45 309.74 64807.62 34664.79 20181.9 13832.68 1248.99 270.47 395.16 11338.83 3496.12 23396.21 8420.57 1853.01 29104.65 175.34 194.11 7135.38 8004.42 10023.73 8136.88 5593.71 5862.03 200.61 956.12 5934.13 2749.37 3839.38 14605.23 256.97 91130.99 10104.56 8437.04 28529.59 454.38 1194.93 610.99 7997.15 2230.15 25086.31 38042.36 643.54 1084.92 739.79 164134.69 4748.75 375.27 1460.62 2270.77 5293.2 1244.55 2436.88 6610.73 1222.51 7677.02 727.72 1345.65 9658.28 148.94 529.54 7307.56 285.38 3092.51 5695.26 38641.54 445.39 460.74 4012.8 7459.41 523.39 2151.07 573.08 27423.07 14760.76 3616.28 4049.27 4323.42 4054.74 3894.48 3866.38 3913.13 3431.44 3633.41 5918.55 2877.35 3371.75 6250.15 5165.95 2215.02 2251.56 6036.34 3318.58 3103.44 5224.77 3780.11 3262.91 3356.44 3393.2 2789.44 19306.68 19323.54 19737.37 19324.82 19935.15 19769.13 19878.45 19333.73 19054.55 Asn-Asn-Leu-Asn-Val 1335.84 469.39 730.67 602.92 1060.31 1206.11 811.97 956.82 703.61 253.57 1161.54 597.42 749.04 437.94 425.61 384.28 692.93 1269.51 494.17 398.25 680.54 698.42 416.64 781.43 689.66 526.06 366.18 1020.39 687.16 710.63 886.52 780.6 527.04 518.84 680.08 1512.96 1713.94 691.14 441.08 1332.17 4028.08 2701.49 2139.03 804.79 5075.17 2914.51 1246.75 1649.91 558.03 892.69 2671.22 1811.53 1283.97 3165.87 705.61 1321.8 664.44 420.44 1317.8 1184.42 743.61 982.93 487.3 1664.39 357.7 2241.6 1697.44 1725.25 1605.41 1361.1 1653.12 587.34 1062.75 1024.51 1216.32 2508.55 2404.17 2310.79 2323.94 2403.49 2333.28 2135.49 2407.51 2391.4 8-iso Prostaglandin F2d4 1389.77 3484.29 1226.76 673.32 916.73 818.42 581.31 598.47 1457.76 1104.57 1577.5 869.99 886.96 1370.27 699.96 847.42 1326.55 1360.41 2180.01 1234.83 966.75 1084.9 1124.92 1348.31 1618.51 1404.38 1385.55 1394.96 1590.97 867.06 615.7 1539.26 978.29 2097.49 1232.22 1325.63 1213.7 1183.92 1306.32 459.99 1479.19 664.1 1272.63 1303.86 1394.37 658.22 763.8 1226.92 695.85 2045.95 973.77 658.86 983.38 858.3 832.59 1984.04 837.88 728.91 1170.47 602.8 1128.05 1457.91 1032.27 1411.65 698.13 1300.11 1943.63 808.47 574.24 996.74 1770.34 770.99 997.85 546.68 516.7 1078.52 1042.25 1066.12 1163.46 1164.8 1268.96 1087.42 969.13 1203.64 Arg-Val-Tyr-Phe-Phe 7130.03 8290.58 801.38 6878.35 12633 13959.32 2672.18 11701.61 11983.56 8601.03 6453.34 15426.77 6392.24 9439.07 1534.88 10205.5 4114.91 8143.7 919.55 13554.8 12359.27 11452.94 4452.94 6069.06 10919.3 10433.35 5266.08 6919.92 30499.78 15984.72 11734.79 635.83 6115.5 8323.93 7064.3 22736.61 9412.88 9380.05 5049.07 4178.26 16031.45 14803.25 8975.71 6614.96 11639.61 2869.88 26579.65 16405.41 15122.51 18931.71 10419.23 9987.95 6808.4 6586.75 6694.48 4586.65 4641.4 2968.41 7382.83 7086.44 3331.02 4766.97 7392.47 8733.54 7495.36 10177.19 12131.81 5653.89 5933.4 8361.35 7723.58 6176.39 5667.13 7003.7 7997.57 20613.82 11584.48 13155.77 23223.08 8355.31 21095.72 21577.75 20262.52 23493.8 16423.03 19042.86 22647.18 33264.55 20870.23 20171.36 19605.14 25595.76 32180.54 24521.7 25103.93 29892.26 24677.33 22191.46 14752.65 20050.11 10309.13 10206.25 10327.85 10270.33 10538.73 10305.55 10208 10091.36 10209.45 Phe-Gln-Thr-Lys 13621.15 10693.4 3851.1 1399.14 17169.63 13634.55 11064.81 25679.93 19249.27 1732.5 966.8 8546.02 7437.49 5540.79 13917.91 11926.32 5022.13 12061.96 20819.23 20133.5 19111.78 11208.48 1660.47 6794.28 15966.06 18441.11 6957.54 975.77 1255.37 7917.95 19123.77 1624.52 9723.15 7875.16 5417.26 7721.81 18209.51 17338.39 7544.54 5557.43 18215.45 21935.91 6927.59 4305.37 17365.21 10310.18 21158.65 10915.02 5881.26 8870.12 12342.28 10171.46 6811.23 8132.01 5232.53 11487.75 4241.93 2094.12 14743.35 6321.96 4661.61 3855.09 5578.21 5178.55 4951.64 17923.93 17733.75 6660.46 11913.38 15312.23 9655.6 12095.12 6272.52 3693.71 6324.28 6563.15 6499.68 5235.06 6775.16 6915.67 6661.42 6774.32 6280.66 6785.26 Arg-Ile-Ala-Glu-Glu 1232.76 5361.96 5305.19 2990.87 9330.12 1557.94 975.1 18305.15 11431.74 1409.9 7538.14 7249.72 8650.61 5532.94 7022.42 7774.97 508.33 9082.9 12140.34 8805.01 7566.03 937.28 1667.38 4372.49 995.78 4455.3 8711 5712.18 1204.45 3601.57 458.22 13089.74 10474.65 15846.28 16921.91 19359.38 20707.98 11587.15 8610.83 8451.15 8181.75 32693.52 21843.42 8146.88 23015.6 17170.56 11047.56 15218.31 41424.37 14600.26 12037.88 18634.1 31841.28 19048.17 40856.91 9452.9 11475.11 15848.78 33783.22 15949.41 16649.58 26158.96 14542.85 24923.14 11042.71 25627.76 11268.42 26006.07 16310.5 18751.89 4058.18 19048.25 8311.42 12014.62 20341.03 22508.45 22594.63 23632.58 23436.58 21409.22 23325.2 22640.93 23330.99 23329.71 Imidiocarb 9465.61 7629.34 8912.87 5123.26 25048.64 117246.55 145454.13 15866.64 11032.74 15656.57 8597.43 18866.54 9585.41 14660.34 11325.64 18092.89 14339.99 9228.46 18076.6 18416.1 13494.51 5186.3 12693.63 15248.33 19626.27 12739.21 14900.59 19250.06 13084.52 15617.23 17352.36 45182.56 8183.05 20073.9 17960.46 11307.7 11065.85 6306.68 13819.64 13703.95 31464.43 13328.16 16405.22 11823.25 8853.72 14153.13 12278.16 17102.56 14061.82 23214.31 10810.81 10655.88 17311.89 13214.9 10239.7 10784.48 14445.78 7242.96 11955.07 14891.27 12149.56 12924.35 8345.87 15501.77 11418.29 12603.74 8867.57 13666.17 15781.71 9252.11 10520.15 16039.38 11262.25 15076.11 17768.26 28782.31 27769.11 28610.51 28845.42 28751.64 28342.01 29688.88 25398.84 28063.9 -JWH 073 N-(3-hydroxybutyl) metabolite-d5 125.37 220.74 152.89 23637.35 47921.16 30478.81 42046.77 888.08 773.12 450.33 85.63 138.54 12503.18 732.28 235.19 4492.66 159.32 100.4 144.95 728.26 116.53 141.8 909.18 187.28 1164.23 787.55 1394.79 94.51 170.82 680.55 592.41 263 379.16 2978.73 465.15 421.3 141.72 1403.56 912.31 320.61 12509.91 3100.06 404.96 1264.01 271.43 23242.92 213.21 172.72 484.84 3160.91 2796.8 571.45 919.14 2803.47 7345.71 961.5 973.94 373.89 665.7 2465.8 210.41 2099.74 1467.99 1404.82 90.89 3236.66 370.73 1159.8 264.57 717.97 484.59 638.56 447.5 1430.85 1844.57 6358.4 5937.46 5921.62 6117.75 5914.57 6174.86 6934.32 5956.79 6380.19 Ala-Glu-Ala-Leu-Glu 110792.88 56385.83 46214.82 51042.57 218406.22 253776.48 63343.63 53621.01 128734.59 42484.44 59971.19 83096.49 57851.61 73386.99 148118.74 67981.43 49508.28 68438.8 61420.1 87358.25 86136.61 71189.72 60016.86 54445.45 45996.14 189061.87 36238.97 45387.66 174369.54 46309.93 95009.9 139878.97 40497.9 70346.97 109681.26 238254.88 167631.08 66864 74529.9 50876.33 187008.06 82206.06 78015.86 47046.54 82780.82 68378.97 56182.51 66903.56 77784.93 157668.78 160968.31 80973.16 102486.71 143916.33 114709.79 69254 65617.59 75754.71 108550.78 62037.91 40100.09 60925.03 214565.81 42067.47 117339.66 206105.52 91049.25 50999.34 60307.78 181570.8 53680.43 66310.37 92737.8 89324.74 89268.9 109483.01 109148.62 124141.28 120564.58 110647.65 109039.84 120254.61 109230.45 111677.55 Val-Leu-Asp-Phe-Glu 11473.18 2684.62 1516.09 2943.7 11398.98 4943.58 4486.32 17180.7 11251.58 4456.31 3758.03 937.43 1887.86 3067.72 5242.37 3491.7 1523.91 8028.14 32029.59 21304.51 1774.93 9921.89 398.05 539.69 20754.53 1346.54 2125.13 2941.05 1190.49 5790.85 15098.64 3377.46 3435.99 3455.69 4846.99 12816.04 7213.65 5715.54 8331.63 5525.75 15802.8 4030.8 686.65 449.7 7232.21 1093.14 30239.46 15576.79 2192.04 4655.67 2540.61 1519.4 4669.3 4241.89 2472.2 2958.08 3951.48 2487.59 7350.5 443.83 1411.07 824.82 5512.81 5359.93 10189.45 4063.52 8825.63 3134.41 6409.46 12268.5 830.84 15115.09 1552.51 2048.35 2737.92 7016.49 6655.47 7151.1 8052.35 8993.36 8120.57 6935.4 7789.18 3597.2 Leu-Thr-Ser-Lys-Tyr 75302.99 44833.86 1083.04 13349.06 147155.94 63477.98 2941.83 102702.27 1931.13 74588.14 32188.02 79539.45 1561.27 57803.26 76834.68 76468.5 27046.04 125912.52 144211.26 67281.63 103266.49 49573.29 44521.84 48816.29 93683.2 71557.45 39760.96 44783.23 113346.12 77843.92 84110.27 195337.33 59987.22 60333.69 34041.24 80690.96 97775.34 19210.63 13375.21 21128.14 33007.34 128191.03 35345.48 25276.33 163003.18 57899.44 56504.03 37988.7 128182.33 132022.1 152517.85 124163.66 88141.13 65483.73 137937.11 34590.04 13863.31 8741.73 233178.82 68882.67 51586.69 54359.68 118105.63 62258.13 18513.02 150409.12 26873.33 40042.13 27182.3 90317.91 16050.64 79501.33 57643.03 28184.23 57881.84 78786.76 75173.59 78711.69 78755.74 64277.56 75783.63 75545.88 75290.23 82986.95 Spinorphin 3729.22 7211.7 5228.52 5769.85 9277.87 13265.42 12348.63 10627.55 9809.14 9116.04 6348.8 6391.33 458.03 615.94 791.84 2705.08 695.49 428.87 4752.9 641.82 10453.02 12716.38 405.95 5322.8 1078.14 9551.78 5110.77 2955.19 8560.53 4039.97 9783.31 6760.12 10337.98 9765.31 7259.11 15148.55 8438.99 7178.13 6259.79 5690.21 12846.25 10703.59 7156.14 5151.46 11423.34 6890.72 17293.46 9260.76 7964.79 14366.87 8770.75 9363.94 6160.17 6125.3 7709.25 8977.84 4363.91 4435.8 7830.05 6333.99 6023.19 6169.38 7846.67 6927.62 4232.85 6851.21 9203.76 4927.91 6216.44 8681.88 7460.29 9474.28 6125.69 7342.63 7271.05 9365.55 9763.76 9330.14 8945.99 9343.31 9594.78 9339.05 9320.94 9622.88 Arg-Arg-Lys-Ser-His 2210.81 5760.99 14003.11 1174.09 11739.84 3013.43 31484.14 39945.26 5249.58 20681.46 29008.63 7429.41 828.12 28601.24 5499.37 10277.3 4918.06 5910.76 4902.28 22301.67 13110.93 21711.5 17192.38 4748.02 3561.46 22220.27 17938.44 19518.92 10649.19 12084.52 9410.23 6116.62 8145.1 8574.2 12945.99 7321.21 9784.38 8860.13 5436.87 15082.23 9180.56 17322.07 21132.47 15184.96 5273.09 13559.22 3486.23 11516.46 20909.19 7634.95 1749.38 8978.86 7956.99 8298 9293.44 21495.58 18125.14 19472.06 7433.94 17892.98 19741.6 18161.31 4928.37 5548.13 23759.35 14102 11068.5 10744.69 10226.95 10597.76 11011.46 16861.23 9549.99 12404.61 3058.86 8339.82 15413.84 9088.74 8956.35 8442.26 10219.4 5047.54 8478.28 4957.3 8374.41 8145.66 9038.96 10279.83 9117.34 9469.46 7369.2 9626.96 7765.05 9044.03 8467.71 9540.55 8729.55 9243.36 9815.67 9871.37 6792.51 6280.92 6627.26 6848.65 7491.04 6858.5 8098.27 6441.56 7330.24 Phe-Gln-Asp-Arg 18716.74 5535.35 1515.39 1615.41 45102.69 47890.38 31210.66 26451.4 15635.28 5337.61 22995.66 14756.35 9810.24 14151.42 2774.31 1742.08 13135.42 22697.24 3642.21 55115.64 26437.2 23578.06 997.38 22242.95 31122.98 38132.12 18373.73 15126.89 2044.11 1875.01 27081.78 32803.88 15389 24004.46 13512.07 3658.07 20790.95 26949.99 19119.61 12392.12 31449.44 39415.97 7781.74 11675.96 32570.49 16761.44 8233.59 3039.54 5711.58 14020.86 18274.79 26462.59 10529.94 13244.06 10802.74 17164.95 8415.42 5551.03 17930.1 19864.9 9909.49 16326.44 18654.47 15177.16 14375.68 22781.37 25312.12 7711.95 10581.06 21280.55 23840.59 24271.41 17225.18 16681.07 16092.07 19352.55 19185.22 19113.01 19144.16 21384.78 20025.2 19290.47 19471.37 19116.35 Ala-Glu-Phe-His-Phe 1081.66 63123.53 1294.67 497.08 23397.42 2669.22 21880.61 35055.5 51040.09 27619.18 16956.72 821.48 2496.14 6705.69 2517.48 18116.2 21694.89 17949.59 3553.12 2108.15 35959.1 1695.6 3305.94 19076.31 40843.48 35997.06 15255.2 14517.95 36478.19 4322.71 4187.89 1494.69 25025.97 8777.12 22018.33 23119.53 44389.7 17317.96 12239.62 16858.22 14471.19 51158.13 25144.12 13030.29 33698.12 14005.2 46855.77 28889.68 6929.89 21803.7 24463 34526.32 17128.17 16220.75 27068.32 37422.97 6844.08 17040.71 47551.39 16688.45 15145.77 9574.84 33496.18 26350.29 18866.58 38915.65 48769.55 13960.07 13411.61 44528.14 33324.04 31991.83 15143.12 35585.54 17771.36 4142.67 3600.08 4981.6 2267.63 3523.0 4482.32 5244.71 3737.56 4671.02 4208.06 4361.19 4751.45 4206.47 3000.07 4947.68 2584.0 3790.06 4078.01 3298.67 4170.71 4550.29 4382.14 4458.89 4664.08 4117.34 30789.85 33607.38 32940.25 32942.69 34419.22 31768.02 31746.67 32538.1 31830.76 Phe-Leu-Val-Met-Met 1589.38 7734.13 1874.15 1556.68 26438.52 33166.16 6132.84 2273.66 17209.72 10249.01 2288.98 12345.72 1031.89 6087.99 11512.69 17503.53 2056.89 21924.91 19816.58 15750.58 16366.2 6963.1 6981.13 6099.51 12607.01 10501.89 3924.96 5970.35 18213.88 10191.27 14326.99 48188.81 9692.2 6803.82 6737.64 10744.91 18268.56 1722.24 1239.67 4510.14 4903.9 27436.04 8055.88 564.45 22081.97 7269.33 8294.95 5185.85 2732.9 21051.9 24382.12 8070.77 4738.84 9343.2 11727.48 8642.35 660.63 2703.49 21216.73 8462.2 4346.27 4269.27 12874.23 7987.66 5007.94 23024.14 9813.32 4996.62 5857.42 8579.25 6097.2 5899.27 10462.36 1265.64 801.94 9777.84 9610.47 10140.63 10025.29 9649.28 9241.84 10245.82 7519.49 10871.97 Phe-Val-Lys-Lys 51936.92 65585.32 40768.26 42793.55 56903.37 56940.02 32597.63 32792.15 38697.77 46749.01 31812.96 40657.02 50064.18 53900.02 38534.94 42013.69 48869.48 54813.88 50731.69 54562.67 45000.21 51402.64 46152.24 30533.76 40186.81 62696.72 40354.26 42189.77 57992.05 65319.4 51067.28 49675.96 62993.82 58412.05 39433.74 57238.01 51945.38 75158.63 41903.11 54637.55 48330.26 46053.39 34930.47 43512.65 47040.92 27719.36 44341.66 39622.4 35585.15 50356.84 46481.29 48258.07 35767.22 39993.41 39455.26 46210.88 42005.07 31890.98 39685.33 41887.82 44754.52 36815.95 38487.35 40397.7 30412.67 35320.89 48466.08 35436.52 33698.07 38232.2 37573.03 39478.29 30662.73 41754.01 34648.31 42314.57 42133.41 42617.68 42364.63 41966.93 41971.27 41762.38 42304.69 40644.77 Ala-Val-His-Val-Lys 13809.3 5236.39 2288.4 746.34 31795.29 13786.97 3865.86 16697.33 15473.78 7084.87 3986.97 14469.04 5124.95 4794.35 13968.51 15969.32 3510.44 14907.38 25464.56 15878.19 16219.41 6238.43 5751.66 4713.5 19956.84 10989.66 9227.9 4556.82 21023.27 11413.83 10722.73 42595.48 9266.59 1415.32 1527.9 14496.92 12301.21 826.27 1709.46 966.84 9751.71 33167.71 4716.7 2741.86 22608.05 5782.11 12612.39 9093.41 18818.09 20926.25 14250.19 12379.55 4922.46 866.02 15325.52 8701.15 2882.54 444.61 20609.27 4345.45 5721.9 4340.65 9560.52 1451.19 461 20141.6 16309.79 6056.63 4538.51 12849.28 7496.38 9923.17 6718.08 5264.47 2987.89 11481.87 10984.05 11204.91 11499.48 11852.98 11509.03 11630.09 11204.15 11109.22 Ile-His-Val-Leu-Glu 8260.85 3791.14 1178.18 4664.23 25192.64 3024.61 4339.31 7129.43 437.25 4452.4 583.48 9573.68 8781.67 4433.12 7150.87 7479.26 3593.67 3202.81 10041.29 12398.51 9778.13 4899.27 2451.16 3691.74 7296.01 5538.34 711.72 2884.53 1358.25 2901.28 802.12 41014.16 4719.89 547.97 3214.97 4217.61 2290.02 490.64 1529.75 2156.28 15160.2 13202.6 2677.47 1365.28 26670.15 8563.97 4542.29 4428.8 4630.28 727.3 12653.86 3706.96 3552.75 2994.07 6882.8 6232.59 2159.11 2099.94 22589.09 1611.66 4763.69 2170.89 5626.47 6449.82 1772.54 6460.6 549.57 2254.01 4118.79 10250.82 2683.27 6041.07 3107.53 2965.82 4301.85 2986.05 4245.45 4814.66 2955.05 9686.4 5205.39 3268.79 3482.78 5268.17 6372.92 2398.08 4060.25 4964.23 5742.63 6511.96 1527.85 3338.23 4855.14 2718.25 3633.59 4729.84 3360.57 3797.7 3287.87 3990.54 6766.14 6722.94 6741.55 7267.57 6543.06 6574.1 6545.2 6014.86 6696.09 Phe-Val-Ser-Glu-Ala 8358.68 895.46 902.17 4715.47 34918.31 2419.1 1133.15 5053.34 13559.82 1105.66 4654.93 1318.66 8942.7 4200.91 10779.25 14468.56 5948.18 19428.54 11069.9 12888.97 8641.08 2159.06 4433.67 3808.64 8181.19 3320.21 4490.57 1137.63 853.48 1568.59 2074.07 1506.86 1390.09 6634.18 2648.29 14425.21 12003.22 4823.92 2670.13 2475.22 8353.37 18006.91 8162.95 3059.75 19403.5 10953.78 1515.37 4802.36 13586.31 15289.1 7158.21 6956.78 6549.05 7913.41 13431.77 8814.02 755.93 4045.35 13562.79 6774.93 977.12 4583.16 4122.62 4623.68 3584.74 15398.23 4185.49 5958.73 4006.33 9257.35 4208.39 2677.63 10012.49 5909.71 4244.27 9796.01 9925.36 9945.29 11665.1 10480.23 9963.35 10500.44 10319.07 9736.21 Val-Pro-Glu-Pro-Lys 1160.37 9607.79 13190.61 9173.09 8365.68 2709.14 11888.53 5232.32 6120.4 11889.73 1040.76 1208.75 1094.92 1206.3 10826.76 19285.28 11500.34 2554.52 827.93 1618.09 4251.57 3012.45 7455.12 3935.72 7660.33 6974.09 6475.17 7486.07 4860.04 10291.36 5620.77 4006.99 968.99 13727.41 17860.27 12707.16 9365.17 10829.57 6769.31 8234.68 8987.79 13862.45 4883.05 14872.29 10816.1 8557.27 10877.23 15744.07 5678.58 10517.58 12517.21 8425.87 5861.92 9736.4 8927.24 8605.47 8148.34 9026.57 8714.99 10831.44 6477.53 6543.29 2765.21 11924.49 11566.52 7854.16 9755.79 10177.45 5237.86 14552.18 6674.15 10027.76 5705.95 3079.25 3445.07 8297.87 8825.81 8724.59 8507.16 5757.31 8275.62 8537.94 8816.16 8260.92 Lys-Asn-Gly-Ser-Leu 524.33 5744.99 1049.17 1037.35 5366.62 2768.89 306.51 2378.1 7573.99 3963.59 1258.61 1017.91 1350.1 3239.15 3712.97 1918.92 378.88 784.12 1819.68 758.3 195.41 251.08 1603.13 2252.92 13309.34 435.92 226.84 228.96 8472.77 319.06 1615.07 3917.73 642.01 883.91 591.01 10078.69 13030.38 1634.32 420.94 2054.09 10159.9 18718.47 5475.91 2594.97 22778.17 822.95 13905.4 12067.28 1143.97 8000.74 529.06 7996.02 3954.22 990.44 5836.6 2013.36 955.73 5381.19 15121.22 3160.66 336.63 1173.67 3770.19 7212.5 479.42 6372.31 16094.98 1404.53 4550.79 13200.26 8853.42 3476.86 3485.09 1224.81 1072.05 7770.17 7066.39 6457.3 7656.39 7653.85 7614.64 7684.08 7597.14 7313.55 Lys-His-Ile-Glu-Glu 26945.8 32658.35 14964.71 32961.13 42293.17 62818.91 32907.84 42014 51279.85 38600.37 23557.69 7553.33 7732.89 6020.04 42541.25 30105.81 12386.29 36170.68 20983.27 72259.1 42990.19 27642.9 23606.89 25326.44 31621.89 34020.76 26583.34 22589.26 3170.55 12637.7 49925.08 28844.12 22816.1 36924.6 23857.04 5113.22 32385.38 35513.21 35630.65 18369.79 65567.8 60457.94 26819.49 16629.45 58685.01 27092.07 6782.67 6910.77 2387.84 4907.82 28786.18 50418.12 18269.81 22479.18 24850.47 33096.06 14354.74 8316.96 23788.4 24420.02 19657.14 24884.58 25388.86 24143.75 9565.85 34385.84 57196.04 16344.29 16257.23 34028.61 35049.42 47593.77 21457.2 30828.79 18673.54 25981.59 29925.58 30125.53 32176.81 31418.9 30431.45 31321.38 30067.18 31648.64 Pro-Pro-His 4379.75 3052.56 4100.84 2258.54 3081.28 33708.48 41840.85 3082.18 4445.66 5375.78 6576.2 8349.87 6704.93 6374.64 10247.59 6981.87 3242.93 10136.61 9289.95 7833.14 7544.65 1756.55 3527.56 6343.35 3322.64 3462.34 7603.21 4169.89 4304.42 2696.32 12491 18773.39 3222.43 7111.54 6205.1 9353.07 1985.14 4525.68 2634.39 4322.34 11331.39 5370.54 2056.3 2128.48 10661.77 9694.21 3447.57 9089.25 8084.04 5760.97 3260.57 4144.66 6804.66 4422.08 1578.14 1850.14 5529.99 3022.85 9573.69 2386.32 5252.5 4832.78 9757.66 5636.27 3952.16 10870.88 6660.29 6639.88 4892.94 2761.2 7476.85 8051.2 3074.62 7325.69 7491.04 8107.66 7738.75 8065.25 7544.04 3860.65 8671.5 7690.87 7647.3 8163.97 Leu-Thr-Pro-Asp-Ala 19324.51 7074.36 881.95 487.36 8847.58 14483.27 6094.22 36220.33 28635.22 13065.7 6671.18 12875.35 1661.99 7753.01 12271.44 7237.4 5313.5 13019.96 24461.42 28818.14 35872.94 5255.7 4140.95 4770.09 32488.78 24914.6 3439.56 3808.49 38175.52 13760.65 23820.4 46709.27 14230.98 4009.15 2770.55 16187.37 20709.19 3924.57 3068.98 1102.97 9517.17 71954.19 4131.52 1887.38 25510.14 2031.71 19704.42 13217.66 9478.35 26717.17 24208.72 11191.57 4155.36 418.89 6776.91 6415.06 960.59 811.4 19668.42 1882.16 644.93 1065.06 687.74 6599.57 1654.17 14801.03 12081.71 4190.25 6563.68 26368.27 14784.72 5938.53 9791.18 1753.36 7571.33 13827.38 14452.08 14259.4 13538.23 13541.07 14365.13 13090.59 15003.95 14384.25 Pro-Tyr-Ala-Tyr-Asp 840.02 4407.29 865.37 768.3 7003.36 3895.63 2582.69 4011.28 3470.12 5205.18 1916.56 825.33 1389.99 1761.69 20590.86 15843.72 673.06 1319.05 2016.67 3359.61 1536.34 3310.4 1689.12 1041.35 1212.7 2417.25 6849.07 3344.21 1683.53 668.19 4770.11 1237.88 17737.13 2996.59 3448.28 6811.45 11163.79 5729.38 1703.99 1142.17 1824 6113.54 2562.27 2379.27 7418.53 691.03 12190.52 4595.09 605.29 6603.04 1623.36 2290.56 1156.97 3319.74 1455.03 17906.32 6995.35 4320.6 11307.51 14816.39 4727.68 4309.62 12732.24 8379.49 4844.78 11914.2 17383.21 3594.16 2681.24 6864.35 17934.43 4722.59 4155.97 5430.16 4823.39 7330.98 3832.76 7073.63 6694.95 7218.05 8290.44 6781.71 6766.98 7257.69 Val-Asp-Leu-Arg 13868.75 19135.92 474.24 1118.3 2541.36 3735.97 1335.66 30997.33 31950.09 22749.74 6236.71 21046.98 392.76 9405.53 40694.93 2208.54 466.91 58054 52212.18 78926.38 27255 1213.26 9259.58 9307.4 40371.58 36017.12 800.55 778.61 53167.28 16408.68 58360.52 52599.33 27793.63 3444.96 632.21 53392.61 42258.73 2209.53 2148.13 8517.94 39271.05 44519.9 14765.77 2723.13 61093.9 836.89 50361.56 26251.29 1643.16 32436.31 1623.4 25294.84 10610.77 1202.09 15037.44 26149.19 1027.37 443.58 39937.44 1148.14 5394.25 842.81 21037.62 14506.38 12222.21 12387.88 44103.92 8297.83 9876.14 41983.18 20730.97 24191.57 13830.85 1297.15 1308.82 25126.49 24867.24 24691.98 25015.11 25109.99 25121.42 22494.87 24572.07 25907.32 Ile-Pro-Ala-Asp-Val 6358.57 9836.26 7827.68 429.08 3307.01 20305.14 10215.43 2674.9 8544.6 9724.95 4613.3 1003.89 10446.03 616.47 19065.8 2536.78 10990.09 21009.48 23201.1 28822.69 2468.04 19721.85 3960.33 7406.76 2526.1 21806.75 7056.08 4201.29 43045.69 662.65 1740.12 3160.8 12651.82 13082.16 7688.76 1479.81 2206.33 19034.84 7000.56 7498.93 17423.32 10518.31 13573.94 10643.78 10698.85 15927.65 29097.81 22483.95 11198.4 17311.82 3533.7 16836 9767.28 15233.14 3666.73 18932.24 8054 6608.15 12404.88 15405.04 7449.63 9096.19 831.75 12348.73 12610.77 1667.6 6929.8 7452.13 10429.36 6804.72 3524.51 10664.81 6780.71 12503.28 5931.08 12142.63 12084.54 8732.67 14842.38 12351.78 12456.79 12467.59 12314.58 11648.84 Leu-Ala-Arg-Glu 89714.81 123320.45 9835.03 41842.23 25486.82 44722.16 3076.28 296470.86 233350.38 140551.78 35700.07 192625.08 21743.86 72306.82 398273.81 71639.13 25463.81 513885.83 394889.61 683476.59 233083.46 24358.3 13078.98 66218.96 361858.15 249924.01 15813.37 24851.65 522230.66 159660.91 428875.96 501344.19 186686.39 8633.97 16915.64 513254.2 379111.92 8307.98 7453.54 22421.75 326311.92 502990.28 105707.5 27840.97 535697.91 1412.46 501453.8 233321.36 42161.05 302896.76 33857.64 168784 51520.37 18041.44 120702.23 204368.57 7716.28 22845.76 355683.64 2211.29 28370.14 10265.77 130478.94 95151.02 84489.35 166069.8 352760.58 39593.1 50134.78 373186.93 126217.83 139626.86 77833.69 17500.48 13593.2 174453.7 176156.84 175425.94 175625.13 175647.15 175612.24 174419.66 174414.19 174799.79 15-keto-17-phenyl trinor Prostaglandin F2 ethyl amide 49194.72 48325.69 70071.2 43193.42 58713.19 37669.96 26769.15 64928.37 70266.83 50127.13 38891.78 25826.65 35755.68 46545.48 50843.34 54303.25 47149.65 26962.68 76643.84 45759.29 58317.73 15843.37 49838.95 75262.18 62124.71 38360.62 70850.94 56669.92 52625.07 22916.42 27328.23 49045.19 36612.18 60627.54 61414.95 67850.85 54885.56 18598.32 54642.96 44060.76 17036.56 53204.45 56571.95 39972.77 55600.31 41162.68 61825.18 58620.74 81707.55 52193.51 52639.47 56404.71 53183.55 53414.73 69546.2 47293.81 49111.36 57835.38 43121.64 19248.97 59212.41 54221.95 75578.39 65301.15 44628.07 54022.63 35394.62 57803.88 34070.56 80574.22 71742.84 63341.91 53584.36 62587.23 60653.01 54857.88 54862.29 53819.92 54266.25 54275.69 55656.48 54243.43 54838.09 55226 Ile-Tyr-Lys-Ile-Arg 3164.87 3935.42 2876.14 3553.96 3942.07 7322.54 2254.31 435.72 2768.27 2936.96 411.3 3321.87 2528.34 5065.38 2090.25 2525.89 3050.07 5875.59 2838.62 4601.14 3408.07 1778.42 3234.28 2450.49 1690.52 5001.66 1990.67 2404.35 2222.17 3994.57 2127.15 4700.66 3439.29 3424.27 2396.73 3154.44 2506.74 4056.95 2592.03 2110.34 7020.03 6547.44 2401 2186.22 4447.22 3846.47 3083.57 3561.25 6486.16 6108.32 5774.01 3765.39 2894.7 3150.74 2325.31 3346.58 2487.58 2036.99 2280.66 1912.9 2211.31 1478.33 1993.81 2151.32 1679.25 4111.56 4619.58 2729.64 1666.85 2580.28 2728.51 2101.39 3843.77 4519.74 3517.82 3988.97 3947.77 3997.27 4076.13 4099.66 4009.66 4086.75 3989.33 4084.05 Val-Arg-Ala-Asp-Leu 43031.77 17587.37 4681.82 5547.75 7657.61 2758.88 810.74 86269.91 56040.61 50392.25 18645.45 39681.57 2441.86 31252.02 70292.27 17365.58 11835.4 3289.04 122818.59 66392.95 87489.73 51910.6 25071.43 26327.47 118024.48 719.31 19240.24 34307.75 91164.99 76830.11 31436.35 141111.39 52059.34 35026.78 5741.86 111060.43 82255.89 17190.1 24115.44 18108.8 14170.53 98952.43 48471.19 13338.32 86581.67 9643.94 32199.25 53120.01 37623.73 58660.11 69414.49 48024.14 34479.76 8271.77 4380.06 37352.38 2225.02 8517.96 98521.28 2527.86 20313.05 4568.65 70664.42 12569.29 41533.23 61762.49 48253.56 22816.37 23395.56 67355.46 19283.59 54600.41 20484.59 9433.7 6003.93 9332.79 8650.72 6983.24 6356.03 6677.24 7059.98 7506.61 8086.38 6484.56 5488.62 3269.64 6078.36 6041.39 7865.93 8279.79 1626.35 7066.93 4316.08 8315.57 6974.36 4538.29 4659.25 4930.71 6209.64 6574.75 30392.91 28590.79 27932.23 9663.68 30130.93 30091.32 28341.36 28323.57 30127.29 Phe-Leu-Glu-Lys-Asp 6667.22 8100.89 3378.46 1847.21 1494.67 5710.73 2013.95 3682.03 5171.94 2886.92 2306.73 1228.67 1855.4 2466.53 3370.36 2804.92 3388.44 15279 1815.13 4544.04 3091.79 9368.16 3136.84 1113.84 3014.37 4364.81 571.17 1919.42 4025.59 1952.98 3601.28 1874.94 2318.89 535.88 1729.47 939.68 4951.29 5896.07 493.88 343.68 1329.24 1368.47 1811.96 1318.44 5251.52 1339.9 3120.52 2699.77 956.93 8173.69 1426.83 14993.58 4077.76 2392.14 7018.75 15182.42 11869.56 5612.12 3970.95 2234.45 1716.3 2102.14 7802.1 970.83 1295.74 5786 4356.78 545.27 411.78 1171.25 2447.11 692.33 1333.05 1900.65 1706.76 3271.91 3726.66 3646.86 3843.2 4256.77 3624.09 4287.59 4049.57 3474.22 Arg-Glu-Ser-Leu-Glu 3542.14 20229.8 2608.83 12192.7 20615.21 2841.2 3381.18 42658.73 26485.05 23780.83 2623.19 6414.96 1569.39 8528.7 39604.12 46619.56 737.97 6953.98 50543.09 3067.62 16393.37 4480.78 15141.63 3778.95 30041.87 21039.28 18471.02 857.53 31505.55 3002.76 3125.12 6493.74 30151.05 23238.23 9179.44 34173.17 31874.74 13941.56 17196.12 10345.07 11069.25 43536.77 15446.05 4503.16 24656.23 10420.81 6901.61 27902.4 39226.37 41271.34 29064.73 15071.81 14581.54 17610.7 18323.59 19490.93 4158.42 6208.01 28731.3 7353.11 15909.58 22668.4 34789.18 12820.82 11946.73 25670.81 25812.87 25091.23 22031.34 28242.03 20002.8 29195.87 24153.42 10162.44 18316.67 23283.66 23228.64 23533.83 22299 22395.64 18741.72 23138.74 21646.52 24094.26 Asn-Gly-Glu-Val-Lys 9102.51 657.74 3201.13 1851.96 1735.3 2068.69 650.56 14652.33 10497.27 6872.45 1955.13 6487.2 1612.68 4699.69 13213.69 1278.35 460.02 1934.5 12279.77 2429.09 1158.66 3308.85 3649.06 584.26 14097.81 9715.86 3846.84 1648.9 21330.97 1170.73 13575.83 9015.86 1142.36 3602.12 2342.92 19739.8 13104.56 6936.28 547.86 1054.52 8919.46 20034.13 5536.54 404.61 18678.74 757.57 8965.04 5450.59 1100.1 8468 6029.53 4032.53 3720.52 1336.23 4102.75 6278.69 1975.8 1496.35 16318.18 1643.92 1006.36 1719.74 3976.69 5364.36 3602.34 8548.35 11658 1897.75 2612.05 10510.76 7246.83 4531.56 4442.64 1091.95 421.44 5544.26 5394.72 2957.67 5352.14 4911.44 5461.21 5343.16 5337.44 4605.82 Ala-Leu-Val-Lys-Ala 9776.07 10288.44 10541.92 8756.37 10852.5 15171.03 5825.5 13139.16 8265.88 9526.66 15069.89 8426.91 12172.71 8998.99 7839.97 9846.94 10859.58 9519.99 11310.15 12418.07 16376.75 9776.54 10324.57 7725.48 8048.08 10159.66 8915.57 10568.65 11786.4 10244.91 11573.89 12612.64 9348.58 10427.17 6541.18 9795.67 8913.12 13600.43 11397.38 12235.09 10883.57 10860.81 9380.67 6971.27 9385.49 12301.47 8973.49 8554.31 7681.56 15473.53 11078.15 9264.76 8046.27 8727.74 11962.92 9171.83 10673.34 10158.58 9405.37 10069.32 9164.91 8077.85 9845.88 8857 7915.48 11443.53 11527.32 9653.22 7556.35 8922.89 10384.43 7266.87 8944.59 8647.99 8647.84 4022.3 5087.43 4333.86 3570.75 3495.8 3878.5 3758.93 3637.18 3477.14 3414.58 2380.46 3316.78 3249.04 3098.62 3127.19 3840.46 3163.43 2851.01 3319.48 2923.79 3105.82 2757.63 3271.61 3361.71 2745.62 7424.14 8405.75 8653.22 8618.34 8576.91 8471.14 8368.33 8581.39 8414.02 Phe-Ile-Val-Gly-Asp 4495.73 2415.45 1849.14 5039.65 3177.72 1713.73 8608.25 1140.51 1378.65 796.74 1586.41 1052.09 4878.03 2113.93 3784.87 9585.06 1481.09 9962.75 1431.18 2435.31 2344.72 2142.04 958.17 2085.04 1169.85 11875.78 2732.42 851.51 1655.86 4056.33 1507.68 4878.06 879.9 3584.36 6938.2 2554.12 583.75 12702.75 740.96 1272.64 4363.42 1652.01 3450.9 1133.58 3802.58 7605.17 5432.29 3158.19 4520.83 9460.31 4013.16 16628.83 2791.32 5087.43 4514.62 6923.9 1258.83 1774.9 6450.97 7018.49 2539.27 3100.93 3363.28 3111.62 2302.71 3026.74 4108.88 1237.61 4140.36 3945.69 883.1 4080.85 824.56 4699.34 3526.01 5028.27 4217.32 3763.38 4420.89 4448.08 4047.93 3441.23 4461.92 4392.69 Thr-Phe-Leu-Thr-Gln 8604.45 11215.9 6305.18 9212.95 55919.12 36975.13 8688.72 4308.94 11878.82 5235.87 7196.4 3618.74 14152.66 6221.78 12844.12 1485.3 4920.07 5438.43 3326.62 6470.78 6741.26 27915.71 2139.19 2691.7 4481.82 2396.38 1332.97 3206.94 8168.75 6399.01 10299.32 31814.95 1637.55 14154.82 11724.1 16329.06 17466.87 4761.48 2440.75 8893.22 7472.77 30615.47 12971.69 6207.93 47672.14 11151.54 9746.29 12126.28 17474.47 32398.31 23594.02 13445.49 17267.67 8856.1 26579.9 13733.49 5845.95 4192.59 36646.3 18026.35 10657.04 10726.7 30361.01 13819.08 4813.67 19809.05 9852.85 11756.21 9805.73 16299.88 4285.71 11341.5 9159.62 13226.49 12451.7 18392.26 19432.16 18292.32 19068.33 19111.1 19106.98 18416.89 19096.65 17664.52 Val-Ser-Gly-Pro-Glu 19506.78 15888.13 9466.26 17729.51 48001.61 69000.63 36229.25 2997.93 9581.51 2025.82 4391.8 1856.47 15141.01 5546.62 32039.81 10197.66 5834.21 4386.26 2495.29 35654.52 14584.71 5753.73 4589.63 6943.22 12189.12 10080.55 2701.11 2015.2 22421.04 1895.56 5324.75 21351.2 2708.81 7223.94 2109.77 6681.26 28751.62 32745.56 5448.36 2433.99 22418.85 7581.18 4410.89 3000.89 11931.29 3381.97 2870.78 2764.89 6357.28 15300.9 16873.52 21198.52 3495.82 9220.99 18877.15 26859.66 6775.5 2868.71 21204.14 23605.69 6049.32 2238.95 24471.04 6492.85 1361.97 41890.02 11088.56 2248.61 1647.43 9202.84 15590.91 5764.87 5761.28 7422.46 9128.95 8639.82 8320.36 8329.01 8945.69 8947.98 8456.3 8950.19 8974.01 8832.45 Asn-Val-Phe-Lys 4381.19 1222.74 1921.47 672.01 4011.3 7711.23 2242.66 5240.81 4466.69 4808.38 2000.67 1222.39 1870.17 927.4 4173.25 796.71 1585.26 1204.45 4196.21 7824.45 812.15 4008.6 1493.85 1707.72 5357.12 3724.8 822.28 958.73 712.99 1962.71 5623.22 747.63 918.58 983.11 2100.68 5036.11 2254.11 3566.67 1512.35 2018.37 6490.1 5591.59 1906.1 2241.09 5084.68 3043.74 7326.87 1662.68 1656.29 5692.55 5370.52 3998.08 842.86 4637.81 925.81 4099.23 1612.37 783.12 4406.17 2525.57 1227.79 2429.52 1786.13 1829.55 1178.64 2039.76 4249.23 2577.54 2583.97 6021.08 1158.28 4777.83 1078.46 1466.99 1719.01 2700 2543.97 2715.59 1818.94 2869.43 2697.88 2583.55 2688.07 2568.76 Tumonoic acid I 6972.06 7830.87 37471.22 16382.55 8156.52 30979.44 8782.37 3580.27 21897.55 16045.81 16678.5 37952.56 31044.25 11999.98 586.87 3316.82 11296.38 18218.17 14563.85 24632.69 26354.81 8832.28 15776.04 10584.15 12700.23 825.64 10566.47 18302.58 981.09 20793.84 11536.33 8072.02 6228.68 26077.39 6778.49 6736.17 9301.96 15222.15 5165.79 6982.34 59879.78 23730.29 8422.3 6706.84 11566.8 15271.31 9650.02 10770.97 3102.82 8923.65 15034.01 6482.12 9286.85 24496.26 12092.98 7495.57 14097.29 9218 4538.48 21205.75 15642.84 8028.07 15669.54 11952.16 3771.59 14219.62 19345.79 9072.76 5931.97 7255.13 1691.19 6203.09 4581.17 16718.95 35434.82 15907.56 15390.95 15950.47 14654.69 16908.47 15063.26 16005.29 15335.86 15992.66 Arg-Val-Ser-Leu-Asp 4026.25 5970.82 4186.89 2053.33 2960.29 12885.34 4366.92 1133.78 4991.7 4050.22 676.88 1432.92 4279.91 3788.14 12850.33 9269.53 1592.97 2872.63 14487.74 3320.9 4152.69 10980.62 1003.32 1714.36 4208.47 11715.85 4634.11 2071.14 10987.79 2131.76 625.7 2994.29 3971.91 2174.25 4197.44 4186.78 5674.49 10083.83 1605.94 2061.02 6141.83 10145.64 3080.82 1900.13 3127.08 2952.64 15096.18 3534.68 2690.21 2165.54 2672.36 15204.03 2980.81 9347.2 637.87 9629.95 2761.11 1432.52 5634.5 5945.35 3318.72 1299 1309.68 3559.86 1749.6 6256.83 7416.44 2972.21 3769.88 4796.97 1145.19 6191.39 3139.23 3730.01 5407.55 3813.64 3637.5 3660.31 3476.67 3346.84 1908.61 3639.76 3637.57 3093.99 Thr-Leu-Lys-Lys 10822.08 3444.51 2372.43 3215.95 1394.89 14470.6 5616.96 2035.61 3803.29 2695.49 1330.7 1763.07 781.74 4839.93 390.05 4080.96 2870.69 7608.2 1556.09 4767.38 2151.14 485.3 2737.78 1669.65 822.88 626.56 535.27 1290.25 632.57 3574.24 833.11 4884.92 1269.45 4114.13 2723.51 3462.12 3252.91 3620.93 2968.68 2546.04 4569.21 5235.74 3774.25 3023.05 3969.5 2524.9 4020.04 3688.44 2357.34 6314.42 3976.38 3847.38 3057.78 2981.86 3538.44 3189.93 3500.13 2735.43 2468.3 2369.33 3110.87 3139.36 2294.13 3430.64 2727.34 3395.46 4612.91 2351.79 2244.45 2832.62 3484 2672.32 2381.52 3600.93 3184.14 4266.38 4348.72 4407.36 4406.6 4421.44 4253.92 4255.35 4280.24 4396.83 Pro-Val-Ala-Glu-Val 10553.34 4719.87 419.67 998.01 27488.95 5348.4 5028.5 14612.83 6600.85 11407 1448.71 3098.38 1310.92 5715.03 3892.3 2097.5 6479.63 3755.91 12468.38 4900.32 15808.24 17529.73 878.22 896.05 1400.94 1274.04 3746.16 1827.15 1472.88 4775.43 4820.16 8893.49 8385.49 2686.92 4347.67 5008.55 6271.4 6044.07 3184.62 4271.4 8424.32 14841.69 2476.39 4907.05 19313.86 2375.51 4040.83 840.47 15212.81 24873.89 5147.33 7302.56 6383.58 5586.11 11013.06 1008.3 2571.85 5816.35 22962.82 580.77 3700.17 5888.13 6090.49 7705.91 5419.06 8254.38 4475.02 2802.06 10450.79 5847.48 3530.77 6621.06 2688.67 8264.04 3549.95 5919.71 5996.15 5905.17 6342.32 7135.38 6479.5 6153.14 6096.85 5843.36 Pro-Gln-Gln-Asp-Glu 793.35 8929.06 1884.14 910.47 6008.08 3325.95 3607.66 20219.71 17610.35 4300.22 3952.99 432.1 2243.5 341.33 2901.47 2604.33 1174.53 15457.3 24772.64 11839.95 9624.18 9316.1 456.56 2215.32 31214.67 3565.4 5844.47 3492.35 2357.43 1264.84 12545.76 13473.07 9962.01 2877.02 6870.7 16215.5 63875.11 4824.22 1750.32 12207.31 5172.4 14212.69 3656.76 4881.35 29457.65 3930.02 41324.95 15089.4 1056.07 13389.57 2170.8 5683.56 4378.88 2265.36 7143.65 9089.95 1277.13 1833 22854.72 6263.11 5200.51 1186.53 10242.36 10466.32 12683.68 16364.15 11048.85 4677.41 5177.45 22828.93 12655.05 10164.06 8743.76 8143.95 5730.85 9754.44 10272.47 10338.54 9737.37 8295.55 10094.32 10279.48 10262.94 10636.73 Ala-Gly-Pro-His-Lys 2352.73 6074.1 8104.47 6475.03 7336.45 5910.17 18822.48 3925.73 3838.86 9010.21 20077.45 12159.75 5779.1 9460.45 7261.75 6742.49 9080.45 10394.78 7061.24 6524.19 12758.61 6371.77 7794.58 8710.31 8702.02 10837.75 7848.87 1295.18 6926.81 11129.91 9226.8 2118.29 10534.15 8633.52 6832.81 11029.94 10395.96 8655.04 8567.55 6570.91 11147.78 778.89 6032.07 8021.85 2010.7 4519.22 13014.6 4282.05 8925.96 15194.07 7435.9 10137.46 9167.13 8571.17 15842.5 3051.71 7559.54 8278.51 12329.97 9048.75 8555.56 7071.96 10924.47 10819.4 8716.15 12852.66 5749.79 7551.63 8234.23 7679.59 6451.92 10310.7 5036.68 7746.46 6377.88 8626.44 13930.62 7978.6 7927.2 8433.28 8062.34 7973.27 8557.28 8338.64 7768.82 7294.82 8044.87 8789.97 8116.16 8291.94 6367.16 8750.92 8368.33 7953.05 8359.56 8198.47 8123.65 8864.17 7926.06 8493.1 9632.43 7861.35 9005.77 9034.42 8303.36 8405.57 8763.46 8966.75 8182.87 Asn-His-Ile-Arg 4270 4837 993.67 5805.61 8730.63 3645.99 8740.3 8121.93 3771 3053.21 6497.78 4327.87 7626.67 5418.57 5149.64 7655.49 6674.62 543.93 5360.42 5700.47 4176.36 4055.66 3603.96 4067.25 4439.55 783.43 4494.96 4731.26 5170.35 3959.44 5014.9 5536.09 7635.99 5446.98 7345.18 3632.59 4028.24 6460.22 4302.38 7377.21 9592.63 4401.36 8775.19 5365.95 6830.42 3486.25 6796.29 6300.1 4952.94 7827.77 3459 4543.99 1943.41 5970.75 1735.94 4894.32 4457.71 4048.3 4794.94 2766.29 3416.47 5382.08 5837.27 11300.86 1717.6 5616.4 5528.34 1867.63 5676.51 4209.38 8888.57 5002.9 5142.08 8287.31 2719.76 3538.24 7103.17 3853.57 3445.02 3711.1 2680.0 3451.0 3604.15 3841.7 2211.4 2436.4 3533.94 3818.66 4005.88 2358.83 2723.28 4168.11 4037.19 2688.99 4074.7 4145.14 2495.14 4225.64 3773.42 3995.08 8195.58 6758.55 6817.62 3512.56 7095.3 6212.55 3979.04 6278.6 6905.88 Ile-Ala-Leu-Arg 2781.56 1583.29 2372.54 2241.44 4985.74 3427.44 5569.23 6960.12 3040.97 4240.82 6109.56 4930.99 1339.89 5351.13 5677.3 6119.04 5306.75 3933.13 2276.96 4190.81 7088.36 7012.76 4094.13 1717.37 2552.26 4397.69 4072.13 1489.97 1414.36 1729.98 4305.86 2212.52 4876.51 4502.86 4372.3 2905.04 4688.14 2990.62 2581.01 2144.04 3051.54 766.11 4450.46 1680.65 4215.91 1782.42 4824.2 2454.32 1845.43 3696.86 4735.53 2215.53 2559.69 2452.88 5824.75 1930.02 3461.32 1595.46 3928.04 2952.23 2647.58 1814.08 5094.03 2817.88 1758.01 3235.61 3604.91 2959.6 2640.77 5269.71 2636.11 2381.22 4396.75 2666.4 3991.71 3931.18 3890.93 3939.8 4350.41 3722.62 3955.32 3810.82 3899.26 3689.87 (24S)-Cholest-5-ene-3beta,7alpha,24-triol 538.8 2161.5 1957.82 14611.8 3240.3 2361.62 1568.6 4344.09 1058.31 3241.52 1950.77 2103.06 541.4 4121.83 1646.58 2432.79 12244.92 2104.12 17065 15121.82 5555.07 14501.9 11066.06 3868.52 2772.91 3537.19 3934.62 2263.82 5109.03 4942.37 3695.35 5116.47 11790.27 3758.73 2820.73 3034.6 1453.92 2301.62 2236.68 1481.95 3389.65 4256.81 2514.43 1748.83 4663.83 2126.04 1974.54 2753.48 3649.02 4078.3 3503.09 3388.91 3701 4201.53 2570.64 2944.51 1358.74 1337 1586.16 559.31 2839.42 1471.68 3846.15 2384.98 2366.21 2664.96 2966.14 3065.52 3191.19 3548.93 2490.53 4217.88 2216.01 2387.09 3065.08 3524.27 3526.84 3460.44 3524.42 3525.65 3589.22 3450.02 3501.13 3140.57 Lys-Tyr-Thr-Ser-Ser 5116.14 2146.18 1552.84 1281.3 3414.55 72815.04 31111.26 4333.76 923.42 1724.05 3209.34 2031.49 2331.91 1811.53 4868.76 3269.11 2353.63 2267.07 1783.7 2744.5 2271.17 1803.86 694.35 1539.23 2713.84 1316.4 2131.78 1721.6 1114.95 1726.28 828.46 41021.07 861.63 4338.54 2807.63 3550.59 1158.93 4448.58 1624.45 3071.62 7202.65 4758.17 1619.55 2684.1 2747.6 3362.58 5335.09 4732.3 2825.46 10018.64 5888.2 4369.83 1605.91 2083.25 3690.41 16095.11 2399.14 2732.51 3177.63 1449.06 1200.55 2802.87 1781.95 1295.65 959.34 17535.6 805.93 2691.4 2263.89 1157.66 1068.64 1668.83 1216.59 1961.16 4257.63 7457.01 6473.53 7286.99 7219.88 7466.22 7178.96 7455.28 7201.82 7477.03 Met-Ala-Lys-Lys-Asp 99971.2 19044.77 16430.77 14588.56 67354.14 37190.47 17039.26 50135.5 153617.13 126299.95 66822.3 116808.19 44028.34 65305.65 39860.04 64984.89 44231.35 56704.09 51300.87 60717.2 79216.73 44990.09 47398.46 88307.4 59261.26 37634.47 56767.29 38760.73 94202.05 63642.05 53155.67 65548.44 17747.72 165216.17 65307.23 27192.16 60663.62 18244.92 55288.24 26891.42 25888.05 105348.15 40735.03 106127.16 132289.72 60341.14 25418.63 7052.02 121881.87 95278.07 165583.96 120909.85 120854.32 75819.56 97752.5 52557.31 5102.44 42032.06 64800.47 24370.59 41094.13 59583.98 174143.05 71067.72 18405.05 111072.84 156276.21 62496.27 30160.39 42294.45 33029.62 87834.62 131549.36 34592.77 66407.74 71763.78 71861.4 71368.15 71362.74 71855.3 71353.77 71351.68 69992.23 71867.26 Asp-Arg-Gln-Arg 5263.79 13061.95 25431.96 21539.5 8027.67 27937.57 8037.4 6881.54 5707.16 6749.51 6463.65 8572.9 20225.48 12197.01 27103.26 28022.94 25436.64 39411.15 27117.59 15437.22 847.34 18104.21 9396.07 8198.5 3642.47 24323.06 18329.86 4550.78 27040.38 473.84 445.92 13248.1 14334.75 10565.29 21501.26 915.99 10576.96 13568.64 4570.15 7364.4 10291.62 1233.57 23609.28 14063.55 10860.86 15045.57 25391.47 27980.33 5166.87 20506.44 1529.8 20123.22 19342.16 29806.3 1467.13 41013.14 24525.43 25359.64 15611.87 31588.3 10929.57 12105.75 13885.81 25007.8 21956.53 1742.81 518.47 9834.93 12281.37 3603.28 8690.54 9728.47 10013.49 39349.14 15112.73 18247.3 17580.73 18371.01 21984.89 18331.65 18484.05 15578.44 17551.87 17251.22 Pro-His-Phe-Asp-Lys 1970.65 3789.38 10211.86 5140.76 4394.08 6305.97 9203.18 9764.18 11719.79 6297.91 4950.75 6356.07 587.1 492.43 1027.22 2907.78 9686.52 362.89 1299.05 1237.03 8940.34 2267.99 8753.37 2233.9 2156.25 6750.25 3470.29 3849.92 744.11 809.41 778.08 7141.55 458 9243.73 6669.22 7967.04 8165.8 16435.96 3431.16 4415.56 9070.88 10132.69 6168.87 4079.25 10144.42 6254.05 10252.35 6102.21 4787.72 9854.9 6776.04 12626.51 4181.84 9432.21 6512.96 17791.88 7618.35 7952.42 4484.45 13009.48 5559.95 3949 8336.4 11903.86 8028.09 8365.47 10061.72 4619.99 4512.12 6917.04 10242.57 3197.4 6209.49 11737.87 6798.27 9744.81 9791.76 9235.71 9697.65 9753.9 9816.85 9981.89 9508.73 9853.25 Arg-Tyr-Gln-Lys 35093.47 18793.17 1404.47 2424.62 7866.8 8159.52 26864.16 8567.99 2768.27 1233 18888.34 2735.69 5068.84 775.86 33958.82 2422.14 11231.39 2661.87 5246.24 3910.25 2646.89 831.56 973.88 5633.31 5607.7 6055.72 3847.15 18253.01 2898.21 12504.99 2552.81 4776.58 2494.19 10397.84 26464.79 9537.96 29272.34 9356.28 21865.64 11095.06 17518.18 62856.55 11635.18 4357.08 31853.46 16699.86 7065.6 6251.38 4120.29 14882.64 51083.67 40844.85 29559.88 41319.7 7431.89 9567.09 3310.98 4372.26 5181.78 6947.46 11474.13 17159.3 6693.44 13914.53 1536.44 52398.55 18090.82 12574.98 17626.61 13551.82 5385.9 22913.38 9531.6 12639.4 14011.15 9192.49 16042.45 15469.41 15169.68 15439.82 15625.58 13860.52 17860.14 15724.06 Lys-Phe-Arg-Lys 17666.96 8212.53 11563.88 7208.61 16998.15 13342.97 2859.37 12757.91 10908.93 13076.84 11778.35 9761.03 12942.29 1689.73 1179.24 16315.04 9007.33 12833.03 5035.61 18089.31 18719.6 952.44 6845.95 5508.04 14266 9149.2 5683.52 7454.41 9901 1531.6 16462.48 18716.67 7858.46 13287.33 12783.37 12522.33 14393.55 15267.48 5137.77 14272.06 14104.64 14338.91 7579.05 9827.07 14947.7 12770.12 15045.31 18526.36 16334.16 15447.75 7776 14934.23 11438.82 14936.3 15299.34 13542.68 9089 7381.29 13155.14 12896.51 11067.22 8239.33 14207.16 14272.67 11973.36 13208.2 13670.61 7397.04 13596.66 13530.98 12729.71 15479.6 5525.91 36919.77 17437.35 3166.83 7768.66 3208.69 3211.87 4315.15 3229.09 3192.98 3170.56 3420.82 3465.38 3971.24 3120.52 3724.13 3034.2 3355.93 4362.7 3135.09 3041.29 3166.01 3189.4 3098.29 3169.43 3179.22 2969.19 3128.25 14565.06 15104.4 15108.84 14679.82 15081.93 14810.72 15119.99 14550.51 16539.23 Asp-Glu-Leu-Asn-Gln 30361.25 43710.42 14435.2 1873.02 37994 14739.16 5524.02 73413.55 52969.96 31057.78 21304.17 21502.56 2012.82 17138.97 2335.84 33790.62 17578.31 39667.62 4935.42 16286.27 47185.9 5447.66 1429.97 26167.66 70064.46 7008.98 1031.09 29726.2 41671.4 1419.04 76034.67 3622.44 26242.76 11624.95 12706.31 36275.56 45793.5 12213.84 16372 22106.37 30049.67 95393.41 26606.4 14443.21 60220.59 7030.45 130171.23 47665.03 9491.17 39718.41 16637.94 24373.17 14821.76 9468.19 4268.25 17744.78 9537.98 14355.56 46141.03 3570.53 15534.95 6770.74 28537.17 32228.48 22988.78 31627.62 21615.77 12683.82 20365.68 58474.67 77848.82 47449.87 30709.71 23149.76 7806.36 31197.6 30471.73 30201.12 31276.13 31142.81 30339.6 31135.99 25556.13 30247.29 Thr-His-Tyr-Arg 5684.17 8123.53 11622.97 22153.49 9720.33 15154.05 13990.21 6159.29 5456.34 7186.09 4634.77 12646.73 10466.64 8374.85 3013.02 8128.42 1000.12 8427.5 526.12 1296.98 3779.34 1252.49 7288.74 4847.07 5674.12 3387.74 4832.67 542.89 2030.71 2703.06 4249.25 440.96 3733.2 22860.87 10400.56 2591.97 10782.82 15893.66 4108.63 10587.2 7134.18 1325.29 8960.8 6803.87 4656.1 12340.55 5592.35 8385.63 2952.7 9284.19 11586.23 3963.99 13182.28 31231.42 1543.31 10776.33 9210.75 9927.68 4251.64 5246.05 5557.24 9318.01 8840.87 12699.17 4584.95 6055.39 1634.03 3621.05 6413.83 7217.32 4264.47 6348.38 12401.51 17062.26 17728.78 6710.33 7353.22 6430.03 7425.52 7391.35 7459.03 7673.93 7085.04 6861.19 Val-Met-Met-Val-Arg 11619.12 1671.88 21143.07 1119.24 18336.62 4937.93 7468.33 24978.8 36379.67 18793.93 1257.66 14403.32 11585.11 11424.19 14959.9 2406.69 4240.22 27150.92 27207.74 13075.25 25166.25 12007.8 13419.01 10767.63 18718.86 15269.77 9212.51 1444.88 26175.21 25157.91 11363.84 49986.9 14419.6 14374.34 8098.95 18456.23 20986.44 8898.35 7880.61 8438.18 14982.99 33383.55 10699.75 20485.58 28725.67 10173.76 14180.17 12659.98 40135.38 25372.78 36755.42 14633.79 9345.11 8772.95 32203.82 11371.16 4666.47 7267.6 24443.41 2741.56 7518.21 8228.99 11507.9 10629.76 10533.26 19510.27 11787.53 11237.88 8621.98 19072.72 7261.23 21437 13512.93 4661.39 12360.45 1495.78 997.95 2904.17 2148.63 2110.29 2642.74 4385.89 1377.06 2233.55 1616.15 809.07 1180.34 1842.1 1914.62 1597.05 1950.64 2160.29 2045.22 1994.73 2314.71 1916.62 1845.57 2569.06 2008.6 15183.61 15029.6 14543.61 14787.68 15051.49 13350.46 14586.67 14574.92 14540.13 Thr-Lys-Phe-Ser-Val 15820.96 28943.4 23412.79 5487.49 50550.6 44648.69 27061.3 38697.97 115102.21 38584.12 23810.29 26637.51 19892.01 21287.23 22759.94 24629.05 13941.56 17644.58 1059 43391.02 45683.25 32846.69 24322.47 25918.69 38768.33 70313.46 42042.4 34220.16 62044.45 33709.1 46800.06 29265.76 46762.93 51552.03 33669.6 50933.38 32808.4 68818.18 32707.6 21185.93 41822.56 37819.69 29064.9 13208.55 51301.34 25980 50886.51 34651.19 20058 36367.02 6699.71 29518.46 23432.3 29849.15 26625.37 21775.55 3328.86 16167.75 31615 23420.93 5688.38 1768.4 27886.86 41413.03 30660.74 17036.69 24609 27797.22 33644.18 31866.98 74010 55672.49 29278.33 35909 27049.77 30360 26263.51 31231.49 31186.45 29747.26 30418.49 31833.59 31181.54 30415.64 Ala-Pro-Asp-Ala-Lys 654.34 17608.86 12118.07 18233.86 11991.01 51233.08 17935.11 1993.31 14478.94 15643.44 8631.66 1466.19 18713.31 826.07 8943.96 19827.76 1725.96 28554.07 41888.22 73234.36 12925.15 29552.78 11385.42 9004.65 2315.02 30556.83 8435.45 10577.55 35253.27 15008.09 678.6 3225.16 17171.48 12328.45 10686.21 12630.44 11066 24661.51 10896.45 6946.24 21079.47 15989.62 12654.05 12840.88 13296.11 18507.39 30256.84 19310.94 16636.25 29191.69 3819.2 23774.85 11890.86 27687.68 7615.53 29453.05 8708.65 8053.89 11879.88 18623.59 10168 10532.95 9403.62 18188.6 8666.11 10999.73 4423.1 10961.83 12590.03 12872.46 5342.41 14852.53 8965.79 15843.23 20006.36 15866.41 15875.73 15471.76 15512.37 15762.49 15474.55 15474.04 16443.63 15484.2 17(S),18(R)-EETeTr 1885.91 5004.98 8529.32 8148.01 2482.65 17115.78 5374.24 3505.04 2015.41 2356.93 2393.08 4860.78 12379.93 6358.71 2328.63 9913.21 11602.23 5845.92 4744.68 1062.89 4098.07 2497.14 3563.17 1767.26 395.02 1153.21 2011.24 3156.93 5082.47 5620.16 6404.57 6718.5 3689.6 414.08 9708.07 2760.18 1300.12 2062.69 3217.39 2316.51 8745.52 1196.04 747.75 8152.44 4594.3 4577.93 444.92 3479.8 7226.59 5866.06 1232.95 2080.11 523 4112.27 3123.21 452.35 2609.3 2085.35 671.47 3414.36 1592.68 8449.44 2899.47 6139.9 929.11 3274.99 7026.67 2671 7430.67 852.58 2270.34 857.06 1096.05 6620.77 3558.18 4685.81 2443.18 4008.43 2350.13 5131.27 3942.8 3944.76 4171.23 2437.46 Thr-Arg-Gln-Glu 814.63 1354.48 1393.09 1466.58 1157.33 1717.19 570.39 582.07 1141.63 851.8 1298.74 906.59 17797.64 1252.22 831.63 1447.96 1229.96 1692.9 1495.04 1323.76 950.9 973.33 1070.67 1196.25 1981.82 1220.68 1211.47 1995.59 808.8 1234.39 1765.32 2450.4 1321.07 802.34 665.38 1085.18 1081.22 1041.38 880.1 688.65 2463.19 1453.59 679.35 864.65 1574.89 1265.12 1336.14 823.54 400.78 1613.06 880.6 529.9 534.78 853.38 541.7 1518.71 2669.26 452.39 788.36 560.5 862.86 550.81 840.32 596.24 480.27 1022.64 1733.3 666.85 605.38 999.75 725.15 689.74 484.33 1942.81 1451.29 1758.8 1730.17 1734.89 1758.09 1723.64 1724.67 1784.04 1725.29 1591.44 Pro-Asn-Gln-Met-Ser 7470.43 11179.11 3694.93 587.8 10900.57 5913.39 9893.63 5944.22 7954.16 7572.48 2061 1309 2182.59 6977.71 3949.16 989.33 427.85 3776.7 2113.26 624.33 4717.35 12471.99 1070.68 7278.01 1922.98 1399.11 4362.76 6088.63 1437.93 615.24 11930.22 605.55 1878.64 8113.54 6784.92 9880.48 10153.55 9386.03 2213.66 3408.49 25785.12 7317.29 6552.57 5523.16 22344.74 6027.66 12107.09 5782.18 6612.09 13133.03 3285.79 6466.82 7908.78 6827.47 4574.83 3998.25 2611.09 5108.47 4296.97 7160.9 2898.91 2769.48 4104.28 5205.04 1313.28 8596.57 11821.15 7730.41 7482.95 8182.69 7568.29 7383.46 3588.98 5987.9 5555.03 8165.83 7532.21 8453.65 8440.49 7921.08 8176.25 8305.31 7820.56 8270.54 Tumonoic acid A 2062.88 2899.88 1705.62 3602.64 27314.56 31691.18 1927.12 582.2 823.89 1204.9 732.93 2500.76 5632.92 1063.42 3523.12 10508.98 2189.94 3397.98 1413.23 2547.13 1602.52 1713.06 1008.02 2970.27 1086.42 3797.97 1154.04 3643.36 6617.56 1511.76 2837.9 10306.11 2833.34 446.97 630.73 4495.87 1072.7 541.39 3228.54 1235.92 21620.5 4242.73 2447.85 1307.09 1012.79 8754.36 3559.85 6293.38 1923.52 10960.59 1086.75 1483.58 784.05 4156.01 1478.31 3036.88 2146.69 803.92 464.58 1959.54 1319.37 1984.35 1555.6 477.32 559.4 1919.74 4867.31 1657.19 1187.76 983.6 1824.5 2133.95 679.82 2997.78 2919.55 3019.35 2642.95 2655.59 2634.53 2599.02 3318.49 2757.45 2891.88 1880.1 Cymathere lactone 5950.34 3460.5 9263.42 9625.34 9105.09 4015.83 14736.95 7880.97 7089.42 7850.6 12681.05 4605.96 16106.15 9890.63 5242.88 8212.9 8698.81 5648.58 9024.99 8438.53 7006.9 3712.09 7743.72 13923.13 7580.53 6409.91 11632.84 13034.65 8815.66 9193.15 6829.81 26127.2 5492.95 16968.75 11273.7 7429.62 3851.91 5975.09 9718.42 9911.82 8648.79 9482.16 14719.33 8112.23 7546.07 14065.18 7913.52 13687.76 9174.3 19635.74 4391.59 4215.03 14842.53 13810.64 2632.68 4588.25 7249.59 6836.39 2921.93 3115.25 7547.26 7977.11 2943.51 10914.83 7884.38 6802.04 7366.63 13318.88 9332.92 5983.1 5885.66 11385.79 10873.51 12227.91 14583.35 10210.93 10296.17 10151.82 10347.61 10237.13 10875.1 10162.14 10165.72 10153.68 Leu-Ser-Glu-Lys-Tyr 13175.67 10417.67 5461.87 414.43 10370.61 29328.06 6789.85 5684.81 6703.32 6408.61 580.56 3902.5 8907.06 413.64 13670.38 8687.32 4997.16 1363.57 955.43 12548.39 11866.4 11373.51 5229.2 8521.21 11120.91 18596.28 952.44 5201.51 9927.14 536.96 1943.82 966.1 5714.26 7545.43 9323.48 4201.09 15124.51 18988.87 1505.11 5722.12 8830.01 9808.37 1583.31 3440.65 4359.47 2222.47 6051.92 4459.24 2449.33 13530.1 7469.97 14834.29 8393.97 9896.31 11678.02 15119.05 5260.6 7566.94 10598.29 13721.59 9754.3 6503.61 11540.58 9941.05 2672.94 14674.07 4631.32 2520.13 521.59 13378.76 8059.98 1179.13 1528.97 8814.19 12651.65 777.1 1633.61 1374.65 1114.14 2139.49 1677.01 2638.1 1536.32 1657.5 1925.84 2018.77 1527.3 1477.29 1772.39 1445.01 2082.84 1714.26 1129.78 1420.38 1718.81 714.82 1226.42 1380.03 1887.61 9578.71 9592.98 9585.24 10074.6 10012.25 9590.83 11152.5 7706.43 10082.71 NH-DVal(NMe)-Val-OMe 4732.63 5726.03 4977.16 3520.41 8601.18 6278.98 476.83 716.98 10271.67 4629.19 3924.75 3799.66 4971.28 3249.69 6241.88 5243.65 4972.5 4679.66 2836.3 10127.02 7128.51 4717.2 2410.87 4347.01 8435.05 8135.31 2654.77 3835.65 9047.97 2534.17 5518.36 2476.16 6486.96 3505.08 2481.83 9174.37 6313.73 6885.22 1778.88 1628 10128.29 11633.31 7923.27 2692.14 6378.75 2163.64 9196.71 7715.68 3704.66 8518.32 4218.18 5828.45 3533.98 5270.22 4216 4170.32 1988.94 2841.88 6962.27 8122.25 2798.49 1150.26 3309.57 5240.58 3196.32 7110.63 9079.57 5801.3 2930.18 7870.32 10303.77 1348.28 4268.69 3275.59 3934.82 5619.46 5304.66 5578.23 5531.12 5836.67 5480.99 5552.75 5692.12 5477.55 Arg-Thr-Leu-Glu 1894.47 1145.08 387.71 2391.01 1080.23 3933.44 528.52 3092.96 3243.2 802.41 398.42 2500.15 3467.31 3118.83 9609.72 2359.15 3072.73 10780.48 13761.05 17418.33 5244.21 1524.87 2157.11 676.28 1207.17 3168.1 436.52 466.04 1921.74 1607.05 2865.99 4732.65 2101.34 2114.65 2309.94 2663.47 428.85 3311.84 1801.28 854.45 1923.71 399.31 5344.6 2317.16 6786.7 2549.8 14054.57 6712.3 3521.95 8696.08 3136.72 6096.62 2374.68 485.04 767.78 9079.15 1830.82 3731.24 8768.06 1790.51 937.02 672.46 7721.73 7271.33 4584.81 3105.48 7086.9 462.72 752.1 7376.46 5644 4895.08 751.39 1471.29 3236.7 4174.39 4516.05 4500.72 5271.02 4074.05 4028.06 4348.86 4498.4 4389.39 -CP 47,497-d11 16377.52 23448.16 8090.87 15209.94 18926.89 19341.28 21966.91 14953.72 15019.17 8571.81 8788.25 8795.39 10415.78 14909.44 20459.76 22548.04 20259.74 19406.45 25006.95 23126.89 15018.5 7876.44 4611.44 9205.98 13821.66 15681.2 11231.98 7550.17 10141.19 9775.34 15532.23 17705.59 7269.8 6993.04 11232.3 15491.61 13884.67 6276.67 4077.84 5990.21 17739.74 20567.7 10773.49 15382.89 16343.6 8602.31 21785.44 18642.55 10423.67 19559.58 8981.71 11545.33 7164.08 9382.2 21979.56 21281.91 12322.34 10509.95 12494.41 12222.5 10173.84 10727.9 21148.45 7440.82 9370.68 14367.52 16647.97 15877.75 24135.54 22251.62 14603.09 14976.45 9705.97 12191.63 22475.47 16432.58 16756.06 16723.26 16628.28 16426.76 16756.62 18321.45 16424.4 16481.53 Arg-Lys-Asp-Lys-Glu 9354.4 2998.17 4391.86 5090.84 13180.94 14646.02 10259.33 10603.93 13176.38 515.65 8039.48 3827.65 504.47 3420.2 1558.66 8062.42 7635.92 12418.84 5506.51 1068.17 12588.95 16018.45 573.14 420.64 639.05 11247.97 7298.89 8446.82 5058.42 1288.31 491.52 4199.85 9776.64 13933.75 7609.87 3547.37 9026.5 10216.25 10063.56 5809.14 20035.22 15106.69 6992.42 4660.49 15004.06 7685.85 2073.48 2456.09 1148.29 4778.26 9502.46 11859.45 5684.12 7260.41 6647.27 7874.9 4868.75 2096.17 8272.38 9620.61 6341.48 8435.26 6760.51 6087.5 4509.44 8857.71 14063.48 5663.95 5784.46 4986.6 9004.08 9695.82 6201.57 5220.12 6517.76 10313.35 9471.79 8409.3 9558.83 9974.19 9140.61 9265.65 10425.76 9794.15 Val-His-Phe-Glu 796.74 681.04 504.53 771.55 869.72 809.47 933.9 857.52 732.27 586.85 577.37 722.79 1011.94 698.56 664.54 1040.78 602.27 1145.82 689.73 805.19 1512.78 768.86 512.56 680.34 452.02 575.76 852.96 409.47 551.55 590.58 802.18 690.72 872.56 890.03 733.38 450.44 1384.54 821.43 972.11 1091.05 588.9 1084.03 318.88 684.91 321.04 1294.28 346.09 779.16 399.34 929.27 407.43 707.04 505.63 945.25 865.95 577.46 899.86 712.15 333.14 1392.15 324.66 946.11 1029.44 988.93 375.9 1096.96 870.83 582.15 690.38 371.31 494.06 1149.72 652.49 1206.97 876.08 9862.84 9571.5 9330.21 9424.09 9728.75 10035.34 9990.27 10063.67 9766.74 10479.09 9801.68 10698.85 10563.03 9955.81 9600.93 11124.5 11691.45 10665.59 10597.54 10502.73 12162.06 11628.26 10980.22 12351.18 10882.22 1232.28 1174.81 1105.68 1103.96 1166.81 1171.58 1168.74 1035.93 1088.63 Tyr-Ile 3530.98 5507.09 2493.5 3517.28 5109.19 4129.88 1325.35 4293.93 4252.64 1217.16 4145.73 4368.21 4298.74 4726.95 4905.52 3391.79 3757.35 4316.35 4498.01 5500.59 4999.19 3488.15 2560.41 4432.24 4350.86 5089.7 3405.96 4536.79 4827.46 5579.03 5635.49 4326.38 3771.27 3679 3435.14 4610.54 4482.13 2379.93 1680.64 5251.81 3597.34 3146.28 2925.86 2817.22 2537.58 2358.22 3158.17 3173.55 1002.6 4526.67 1794.08 2678.76 2217.71 3966.85 3264.29 4670.19 1636.5 3563.37 3814.3 4383.56 4110.46 768.89 3078.39 2843.32 3184.02 3296.92 4611.74 3483.5 3812.27 4038.86 3047.51 2590.04 1207.92 3483.23 1447.02 2904.59 2221.86 2967.9 2830.94 2934.52 2873.69 3021.34 2992.89 2868.68 Val-Tyr-Lys-Val-Leu 6518.16 1618.22 2871.64 3792.78 3091.21 4015.97 1366.89 3884.72 5565.83 970.09 1024.82 4490.13 2753.52 1139.16 1055.88 2479.68 4497.35 2573.81 2245.38 3109.38 4621.95 1290.82 4209.24 2748.66 3921.89 3499.59 1056.2 1558.42 1034.36 3636.6 1897.26 3724.1 1108.03 9165.17 11177.44 10740.25 17065.26 9574.01 9258.77 19179.59 22889.68 11739.56 14140.08 7276.59 5136.67 8327.49 21746.94 10870.4 12869.49 12780.89 18381.45 14491.7 17224.97 6747.02 20144.14 9391.62 10718 8995.57 10500.05 7801.06 3677.16 16435.42 12527.03 14051.59 13932.88 17441.28 1433.19 7792.8 12768.76 10562.77 10709.11 10600.55 36676.58 25975.57 24453.04 15320.38 10275.8 14187.16 16563.75 15112.15 15372.41 15695.14 13637.91 13803.39 Phe-Tyr-Val-Lys 1368.02 629.09 376.86 1817.77 464.57 1686.45 2260.13 1236.49 648.05 727.86 1348.54 617.89 950.69 462.49 366.74 965.98 426.56 1698.85 1183.01 1054.83 425.93 492.41 1804.84 1023.74 1124.58 356.11 1413.91 340.19 394.35 424.64 381.87 710.64 1217.28 1102.3 1319.97 3245.75 2807.78 3020.81 2978.65 2135.43 3980.96 1624.21 3291.25 1153 1836.59 4149.89 2643.58 1518.16 4279.61 2748.09 4397.9 2080.48 1350.31 2511.07 1771.79 2923.12 2198.41 1946.56 2137.05 1703.53 1848.87 1141.48 2530.53 954.41 2509.03 2948.29 2635.08 1215.66 1373.19 4245.1 3783.45 3173.94 1430.35 3738.68 2767.82 2687.57 2818.66 2677.87 2709.83 2815.84 2699.03 2480.47 2835.66 2808.94 Ala-Asn-Lys-Glu-Asn 4896.53 14247.61 20772.89 15563.26 9208.21 3590.39 32304.67 19596.19 10739.37 18501.12 18675.46 1092.43 1052.07 16890.8 7784.2 16662.86 14779.87 12413.84 14131.36 10193.83 13926.55 14608.07 11940.42 19090.97 20781.4 14223.33 16988.94 6090.62 16258.25 20910.23 6314.93 2713.04 14260.53 19019.72 15692.86 13448.25 15820.18 12669.12 14309.92 17664.73 11637.01 8200.23 13543.64 12444.1 5335.25 12818.6 12868.61 12269.71 8156.81 4903.18 9020.22 12839.2 13176.91 14296.09 15496.34 14471.38 18804.69 11439.91 8397.08 17205.24 17432.81 15869.55 16390.8 16625.58 11799.16 11013.53 4246.18 12120.75 12322.25 6234.15 10243.04 14773.17 11417.58 11033.58 1858.44 10621.01 10689.28 11305.79 11141.88 10146.24 11105.03 10596.09 10595.85 10675.82 9-Oxo-11alpha,16-dihydroxy-16-methylprost-13E-en-1-oic acid 1721.97 4159.54 25770.49 6365.88 12199.06 10803.59 12774.33 1524.97 5041.32 10014.4 4155.3 9640.82 8226.28 4891.3 3084.21 23744.55 3480.51 6016.64 1668.34 1292.64 1734.68 3123.34 673.31 4512.87 1778.04 2724.23 10899.91 6603.98 716.07 2100.58 2981.34 2370.62 4090.3 9252.24 6710.72 1924.6 2492.08 7842.62 8111.28 7196.08 6192.93 4796.77 6778.58 5134.59 3886.3 7784.7 4457.83 4379.6 2440.36 7725.07 3386.02 2674.32 14311.08 11108.4 4998.02 3343.27 30712.41 8971.18 5837.06 9605.47 12573.58 10184.62 9762.48 9659.64 4018.17 7125.5 4194.68 8284.05 4492.72 3566.09 5095.72 6039.63 6404.27 13275.82 9494.89 7049.32 7063.77 6711.5 7049.27 7096.73 6141.26 6907.56 7044.31 6732.85 Phe-Thr-Asn-Lys 18530.51 9798.29 1045.42 2064.73 14090.51 16802.71 2369.51 25740.67 9388.55 12440.26 2178.63 11947.98 2605.21 2550.44 2496.54 16400.57 1433.91 45978.86 15522.34 49635.67 18431.65 4837.93 1408.15 7876.31 19165.52 8313.53 928.26 2913.67 36385.31 2315.95 21989.79 99449.92 19585.15 1989.84 4486.11 1260.49 22628.65 3564.23 5978.17 1839.28 17648.52 20678.12 7992.15 11375.18 63984.32 6174.01 14781.11 10320.79 16706.95 33514.76 14803.63 3085.28 5314.77 5691.19 14940.12 1956.21 1197 718.1 57371.97 1260.94 1532.69 1283.34 12114.39 7508.62 8838.21 16225.44 19247.54 2087.6 4034.95 34521.63 11246.84 7000.04 23061.42 3800.89 4681.03 8741.07 4947.79 7688.99 7906.34 8359.87 6571.21 7219.98 8972.94 7168.37 Val-Ser-Ser-Ser-Leu 14774.98 763.29 48536.94 6255.43 1478.99 44839.27 13212.07 7819.65 6178.97 4804.61 1796.01 508.08 1621.19 19434.53 4588.85 2792.98 12427.64 2016.09 7108.74 968.02 9132.31 1045.65 11113.47 1937.46 1315.94 32806.21 8492.86 915.03 2301.69 1799.93 1510.78 662.36 2654.54 14978.73 6270.14 5045.33 11590.51 19591.2 10965.14 9427.72 8498.75 15971.42 5134.81 9411.15 4463.77 7915.22 5894.54 920.79 536.77 5911.42 17304.14 11999.17 2855.19 10883.21 9088.41 11663.82 10836.28 11952.31 8343.1 20384.65 4168.46 2105.77 12197.06 4128.36 4089.23 21654.47 20756.73 4245.86 5439.78 16514.3 8230.93 11698.22 7855.46 20014.31 14646.19 9744.67 7184.12 8941.39 9502.31 8762.15 9455.41 8962.94 9395.03 9275.86 Thr-Pro-Thr-Glu-Lys 591.21 5674.62 5124.09 5144.62 4037.88 9892.57 5587.12 948.74 2639.95 1081.57 2366.32 2145.16 1405.42 1222.05 1735.25 10617.34 735.62 14262.21 1273.41 14162.77 2149.78 3943.28 1407.62 999.89 678.14 8052.81 3266.33 3233.55 1282.28 935.35 972.35 7556.86 8106.41 3360.46 8338.67 842.63 4723.13 6948.35 2282.71 3107.31 6062.78 6150.03 9246.25 5386.31 4923.26 1286.81 7482.46 7492.07 2139.21 7726.99 4563.72 9518.37 7363 10282.6 1258.21 13580.44 14704.62 9642.66 4214.2 10807.5 3016.6 4743.46 1321.34 10723.62 6084.3 4899.68 2034.09 2546.93 4240.91 1630.88 6018.39 4682.33 3361.79 11243.62 5742.69 6863.84 6956.52 7347.26 6969.11 6640.31 6776.45 6966.06 6779.81 6781.21 N-phenethyltridecanamide 33797.15 37384.72 5694.33 32237.65 40706.45 62653.74 55522.93 23790.02 32308.5 22734.15 29183.85 28108.2 16602.46 20085.7 8035.8 923.64 2486.97 32710.73 925.44 1618.68 15524.74 26118.48 3509.09 5646.86 27940.85 27094.43 39850.7 40064.57 9238.45 27795.65 28206.39 1783.22 2634.65 30801.15 29660.2 29000.2 30264.63 34435.17 30784.31 36723.15 43357.52 31631.13 35631.24 23458.5 36566.03 34783.77 32359.64 25289.25 7886.71 35019.04 24192.15 21744.65 21162.62 31021.65 14518.36 28341.5 16992.2 19248.84 10795.62 30737.61 18372.73 23735.22 21117.25 27132.5 22893.51 21643.83 30393.23 29629.52 28716.97 25292.6 25674.83 34905.82 20538.91 18411.97 31336.7 22718.01 21701.32 22557.68 18320.25 23199.48 22027.59 21540.96 26853.02 22339.91 Arg-Phe-Asn-Ala-His 608.69 7993.26 5441.95 5955.88 956.68 15804.96 7786.11 954.62 6617.29 3786.83 4005.75 3370.66 4401.43 2631.62 1862.77 1549.18 4683.89 6949 6682.3 12186.8 2268.74 10732.91 3584.78 2859.45 5517.43 6365.05 3615.22 3635.59 443.33 2384.94 1383.41 500.37 771.69 4178.44 2543.25 4390.47 5682.55 9283.61 1485.65 2159.5 5749.4 5707 3172.51 2250.06 5698.96 860.18 4481.77 6326.77 1805.47 6715.85 2519.89 6663.04 2009.28 2366.42 604.8 10916.75 3707.14 5202.49 2040.26 8121.92 3909.69 3156.3 5766.06 7617.24 3769.36 5424.48 3207.09 1867.5 1446.46 5350.22 4340.81 3847.65 1903.22 5670.36 4418.6 5210.5 5116.33 5224.09 5651.37 4936.23 5201.77 5117.42 4581.7 5229.37 Thr-Pro-Pro-Val-Gln 472.12 1382.25 653.49 2974.52 5317.7 1790.16 2214.79 4230.29 7917.79 3392.75 8821.5 10159.18 5574.32 13936.88 5502.2 1968.98 11318.35 4345.24 1329.88 2353.73 5297.4 576.28 9510.9 2816.66 5483.01 4998.64 6829.02 11242.01 2772.08 1709.79 868.81 7026.29 4844.24 5696.84 14174.55 8669.58 6081.04 2834.37 8174.97 7672.72 1034.34 1032.13 5233.8 3173.42 7654.15 9766.58 6614.18 7403.43 5201.1 12313.19 3174.56 3309.91 5226.56 5945.37 6797.43 4363.63 6581.2 9113.99 15646.59 2897.54 6193.16 4757.95 4789.45 4257 4280.22 4619.48 602.54 3460.97 3732.52 4558.02 2538.72 9866.66 6452.08 1196.58 5738.11 7348.12 9053.36 5425.56 7921.26 7807.5 7505.54 7437.16 7695.29 7913.18 Ile-Thr-Tyr-Asp 5674.17 3129.48 26476.86 2967.26 6810.74 14342.33 4394.07 7473.52 899.32 6463.03 21983.94 2466.17 4941.73 2560.71 10087.87 7347.43 17239.59 3342.79 32149.24 4259.58 3609.88 5702.57 2719.78 5005.03 11900.91 7506.34 17573.7 19180.65 8990.18 3097.9 14209.33 17514.79 8552.48 22441.05 32763.25 5873.18 15986.56 14111.81 15635 19861.7 14849.18 14965.35 32827.64 18535.95 5777.9 18691.29 3593.98 31093.38 22231.77 25087.84 9022.64 7082.87 27716.9 38542.23 6514.99 12850.57 18426.94 6528.13 7256.31 2874.95 18141.24 9856.91 12654.91 35951.5 22389.43 13272.05 13016.85 19411.71 18505.79 3302.95 9442.87 14270.79 23865.46 23180.26 15395.23 15348.16 13864.98 14725.25 14828.49 14989.79 15587.32 14877.53 15783.77 15601.39 Asn-Leu-Lys-Asp 3106.45 40135.27 1066.58 8082.35 34680.23 19909.39 17337.34 106577.01 78231.4 46546.41 17697 70770.99 8053.1 26189.68 128678.56 27000.18 6144.89 164771.61 129066.33 223113.9 88985.44 4064.2 7002.86 24262.18 127075.89 85687.71 730.48 1153.78 171233.65 54040.25 135735.9 163921.51 62895.62 5428.4 7290.43 174082.37 119459.86 1240.17 5240.3 10253.68 102353.42 166243.9 35080.18 11166.31 172240.32 3938.06 159242.72 81290.06 16150.56 96907.19 14479.16 57825.28 15419.36 8429.38 41362.47 61863.68 1280.6 9191.99 113888.39 770.82 11252.54 3050.12 46158.07 36865.61 27200.37 51344.39 111502.73 14254.38 20663.58 121855.51 42549.54 49674.58 24690.96 11148.83 10649.86 55974.2 59935.77 55926.85 56039.31 56628.83 57308.16 55979.22 55923.27 56213.36 Leu-Ser-Leu-Glu-Glu 2790.97 3094.48 836.3 1376.08 8248.83 6283.97 2279.02 3446.89 7665.91 5682.83 2703.06 3822.07 1785.89 1931.36 6762.63 1707.07 1564.59 32052.04 18485.9 4744.89 6278.94 6388.02 2523.22 2005 3643.38 3281.7 2198.94 1613.57 3346 3197.41 4903.09 21666.45 6937.58 544.23 2228.45 3142.57 4791.98 456.96 1999.88 400.79 4581.23 7400.49 5545.24 3260.09 9854.44 3097.47 4173.48 2684.89 3955.89 8022.88 3151.39 6775.52 4735.51 2563.16 4493.95 5829.09 1071.28 495 6020.26 2717.25 1735.09 1845.73 11890.16 3075.33 1960.63 6174.69 15011.1 1276.55 651.77 4691.27 1136.33 3310.34 2108.36 6167.66 445.3 4449.65 4627.76 4495.22 4677.52 4599.94 4672.58 4620.62 4800.91 5226.58 Val-Pro-Glu-Lys-Lys 841.84 3853.17 2519.17 2629.12 2761.28 1872.28 1655.19 6943.64 4656.71 10833.95 4357.93 1021.35 2531.08 986.12 3981.13 6814.65 2650.6 6485.27 2682.65 1147.65 921.58 1143.58 4200.34 3804.67 2885.43 1223.96 703.09 3626.59 1158.37 1823.37 3399.1 7817.68 1106 9428.78 5804.44 24304.24 16924.14 3848.63 8386 1309.2 5805.24 22028.13 11102.67 7362.81 26554.55 7050.9 14459.41 9335.59 13096.67 12723.66 19754.64 20787.18 5282.43 2434.43 17964.17 16292.61 4989.32 2414.54 18163.03 2605.31 2186.18 645.51 14257.29 9427.82 6957.55 14054.61 2329.33 5600.36 3025.35 8877.16 3518.95 10150.58 3565.76 6909.4 3381.48 7424.38 12795.78 7144.86 6765.23 6659.55 5077.54 7424.34 4379.97 7832.86 4137.28 6002.66 6226.12 5527.17 6385.74 7270.03 5321.33 5567.89 6973.8 6671.94 6560.64 7994.34 6640.82 6856.53 6987.42 5929.54 10301.12 7944.12 10588.88 10151.63 11566.69 9518.67 9523.47 9438.53 10123.95 Lys-Lys-Lys-Gln-Tyr 10851.57 11639.56 7227.45 22277.97 32521.87 23812.48 7520.53 5557.33 6796.22 6824.61 20109.6 24761.86 37305.75 40303.82 11202.96 62476.42 22478.7 37082.72 66286.22 40278.69 8681.89 13433.95 25412.66 51040.62 15712.54 15781.8 44371.56 28440.68 30036.42 12218.92 31732.99 79168.71 11366.48 9046.9 1865.98 826.32 2097.03 6037.97 3302.53 1429.79 5485.6 1423.46 1843.38 5544.09 3149.31 6465.66 1661.48 4838.22 16437.5 15735.44 1994.43 1971.77 9035.82 2192.86 1791.61 7791.4 765.74 4084.7 2297.63 4716.49 4184.42 916.07 1564.77 5021 2391.52 4717.65 4169.87 5774.33 2125.56 9715.47 1760.12 6326.44 5858.2 20188.21 5231.45 3450.31 4080.59 3808.44 3957.46 3595 4465.51 3615.88 3865.03 5608.42 Ile-Thr-Val-Lys-Leu 23057.61 46028.06 23365.61 44676.15 47907.64 82060.77 44637.68 28751.97 33618.17 30885.21 42288.03 70056.63 143024.2 89243.01 57112.14 65920.95 55027.35 97958.96 79171.2 95331.83 68172.16 69147.07 60289.08 17157.88 20966.44 55939.42 19374.89 29700.38 46958.99 58063.46 77956.64 123833.89 89698.61 61070.02 33017.64 52768.1 43293.58 80124.28 45281.72 42884.02 107364.91 108343.8 51095.27 51231.43 87578.34 68911.78 63285.97 68290.02 70480.68 174043.14 92875.53 109954.69 57530.67 85376.05 43413.18 82255.93 55051.15 33688.05 39097.01 41564.15 37620.71 28599.14 43939.72 40995.39 29678.71 65478.06 109847.25 43103.84 36658.6 32310.3 60264.89 42166.95 42241.89 104825.93 72477.56 74319.03 74330.83 78625.85 75686.76 74834.87 75747.02 75188.33 74391.44 75387.99 Tyr-Val-Tyr-Lys-Val 6908.22 1237.03 7009.91 3026.28 1289.23 13930.61 9890.01 16646.99 13261.44 14149.21 1122.05 7751.41 958.46 621.8 1040.81 1398.45 12458.63 2128.95 2329.44 1962.34 10991.65 2017.36 471.07 1548.06 2537.64 9626.75 1968.14 12684.18 1136.46 10069.52 4310.71 3905.39 1842.8 4992.96 11364.8 13713.44 7942.88 12615.01 11339.19 8014.12 12354.27 12905.11 10244.8 8128.93 7455.64 8735.88 9478.2 9030.09 4625.1 4511.9 8604.2 6600.45 9823.79 7009.27 7488.37 9726.09 5682.79 7882.85 11000.92 11410.88 4305.97 9638.05 9416.19 13477.5 6137.37 7594.03 8988.77 9129.52 9594.64 10283.39 9329.41 11420.33 2411.56 5822.14 12652.02 10554.87 9296.93 9574.08 9281.44 9296.26 9554.74 9231.16 9311.01 8870.4 Arg-His-Gln-Arg 42403.53 3022.17 8719.31 7564.96 69161.23 62469.71 3871.01 66577.27 52058.25 70197.98 19938.89 56948.14 2344.28 76237.05 66431.4 43858.22 1425.84 187807.48 193584.7 46417.3 79076.85 61119.41 45783.14 50102.7 110356.25 46930.95 29196.12 36036.07 82042.39 45776.72 1944.59 212102.09 43444.29 82159.79 8008.9 113817.31 70003.85 9320.37 35156.12 1531.39 15161.08 100963.25 49913.5 31877.61 143511.49 28981.16 53886.24 44884.02 92899.21 85287.15 122968.49 70633.85 53813.97 2726.06 87079.33 60599.87 2678.78 12254.66 82781.83 5917.71 22384.74 16449.01 56840.23 42621.74 26535.95 67984.64 45963.96 33532.08 10510.32 77289.61 6274.96 55258.34 27882.2 18761.51 17210.34 53888.65 53543.9 54109.85 53954.26 53537.52 53540.65 53539.5 55338.68 53580.82 Asp-His-Asn 1278.06 867.51 833.04 572.12 2659.53 8236.37 1681.06 2306.65 1551.12 2160.38 4313.61 1036.19 698.74 4052.25 1957.52 917.81 677.57 1240.83 1915.61 602.94 740.74 81898.92 1253.29 962.77 411.05 2266.95 972.44 1377.82 1139.45 463.61 2452.71 4749.71 898.52 1129.52 1040.52 1366.3 1453.3 474.81 1142.95 940.62 1208.47 2320.65 570.35 1361.27 2521.43 1125.02 1151.43 802.55 1139.53 1302.65 762.46 3259.16 912.93 578.71 1562.06 829.2 439.78 382.73 1402.04 2992.31 549.21 1208.94 833.28 2410.22 1210.13 1978.66 489.94 1078.08 1152.5 804.68 2291.37 1799.2 422.61 830.31 923.68 3271.46 2270.14 2201.68 2832.86 2547.19 2847.69 2751.6 2444.34 2191.32 Pro-Gly-Met-Ile-Lys 2125.93 11177.61 7084.72 5588.78 2326.11 28643.76 14527.27 11682.27 13251.71 14030.21 9013.71 2205.07 914.78 2002.2 8738.69 9333.37 6076.84 12333.5 9927.98 29761.19 14753.38 10706.6 10734.09 6570.74 11062.45 11445.49 9562.18 14190.95 3929.6 1023.68 21870.61 6082.93 9180.84 15423.35 8878.07 4145.23 20755.51 14701.33 9601.19 8274.67 30501.4 20920.2 6613.64 7910.29 18236.05 6685.92 2960.27 3376.85 2323.16 1769.48 11755.79 21845.97 6565.61 10213.65 3330.67 15030.44 6705.37 6039.9 11245.11 13367.19 6829.17 10174.08 11977.15 7298.54 5299.83 13577.58 22681.07 5220.31 7492.86 12094.87 9473.14 13838.94 10539.11 5508.07 11141.24 11732.77 14247 11292.26 11593.1 12509.57 12360.04 11694.52 12377.63 12714.24 Leu-Asp-Gln-Gln-Val 1585.51 834.6 888.59 1232.88 1685.9 1366.92 2813.04 2394.83 6412.41 2475.85 353.03 1767.45 499 6076.16 429.64 1464.6 466.21 1601.35 1126.95 1786.43 2581.34 1848.13 2648.6 1878.78 1338.64 4435.68 2119.17 1470.94 5827.73 496.2 1353.4 1589.26 1133.8 6559.67 2966.87 2174.42 4172.93 774.47 5312.1 4120.48 2746.68 2533.7 2542.56 2030.33 464.89 4663.88 3629.31 1764.57 683.69 727.38 3163.97 2262.38 3567.86 4719.97 6130.18 2691.91 3041.12 1818.46 6766.19 874.51 2765.98 2305.25 4071.07 2442.69 1888.22 3986.47 5544.54 4024.64 825.37 4510.82 864.22 5489.64 3120.78 2694.15 3235.44 4594.85 4415.08 4257.23 4201.05 4985.49 4203.73 4440.68 4216.94 4460.86 Thr-Val-Glu-Thr-Trp 3456.51 690.98 926.65 316.72 476.74 1856.37 10918.14 2518.58 674.69 1092.73 732.02 1552.15 1885.15 500.32 707.71 2032.69 1211.11 1215.05 358.49 1726.14 687.83 2131.56 2438.54 715.82 500.21 1034.79 705.52 1391.9 433.76 1369.56 897.19 4242.18 2565.72 18466.81 22089.82 9154.07 11946.59 5317.42 20535.07 22250.27 11761.67 7975.22 25304.87 17940.93 10942.76 13798.58 9344.55 23953.81 8975.59 41660.41 9756.95 3971.62 19279.13 26157.99 6933.34 8741.55 8139.25 8509.89 12604.46 3192.78 16588.47 18852.85 4881.61 25950.45 21685.7 10555.42 15049.29 24635.29 23101.9 15011.73 14910.4 16875.92 22617.64 21846.95 22764.72 15639.86 16197.94 14640.37 15230.4 15227.21 15638.76 15615.91 15202.92 15170.94 Arg-His-Asn-Lys 19779.72 3104.91 3203.36 673.4 787.31 318.28 2386.58 17515.72 10543.43 446.56 788.07 3142.9 961.5 1781.98 1367.69 708.08 639.18 5860.38 4986.98 9672.18 18471.72 2652.03 1536.17 981.56 11975.83 4852.42 2214.89 463.66 24549.23 4349.48 8146.2 7617.01 2479.21 911.88 302.05 9540.65 22862.17 1873.65 2579.38 1146.36 1027.21 25320.09 1567.61 502.3 1691.48 529.07 16676.31 4645.21 5006.46 1236.03 7827.78 3250.81 790.51 1827.14 7948.6 3836.49 1516.7 1197.73 16889.97 2368.07 1197.27 447.38 1830.61 268.23 2473.42 5342.3 1180.89 483.81 3154.95 8999.72 1991.17 2376.45 3997.39 1904.35 1441.83 2701.99 4625.43 2400.81 2830.27 2997.2 2435.77 2277.77 3063.88 2170.65 2510.21 1881.73 2270.5 2767.92 2676.48 1704.07 1553.73 2395.94 2481.35 2044.95 2725.7 2151.91 2585.18 2675.62 2816.78 3014.41 5240.66 5283.07 5480.88 5073.38 5347.19 5927.2 4908.91 5377.69 5380.48 Phe-Val-Arg-Arg 1515.07 26050.42 23282.24 27497.56 38366.61 41430.68 44764.22 10959.36 29631.08 24959.86 40136.24 40105.07 45918.9 36266.83 1377.64 53581.77 28684.02 39706.03 54723.26 2436.37 29492.24 19604.72 30907.26 28973.92 31477.41 32822.5 28089.52 37921.93 52278.3 3510.83 41752.24 103066.31 2092.3 37132.99 33501.32 34168.71 28963.47 13296.31 33065.36 19779.39 43779.92 51232.57 27626.08 23133.8 57672.71 59380.12 39202.89 41032.12 74598.29 90400.47 28712.43 30304.69 26064.23 42970.82 4834.41 15404.34 9646.55 25254.28 10728.9 11797.07 15423.95 4383.31 22033.15 36306.85 31768.89 13867.83 18171.57 27316.6 30739.03 29783.25 31709.66 37388.19 43889.12 9560.99 31894.15 40700.88 40709.8 41204.92 40718.38 39878.24 41096.26 41206.75 41229.58 41236.92 Val-Thr-Pro-Tyr-Met 352.91 4444.36 2052.64 743.9 851.51 669.09 1083.5 2654.08 5052.56 576.92 331.37 383.83 1316.76 322.95 745.51 3443.51 2652.11 7324.77 589.12 1111.59 461.87 786.9 365.8 321.87 2142.41 3525.17 1547.11 1694.81 2175.5 1605.55 1463.37 567.17 343.3 2131.55 523.04 3939.59 4499.84 1288.27 452.93 428.96 342.6 403.61 2301.65 486.22 1437.83 1006.85 3578.61 1976.29 429.21 2485.43 895.15 2177.31 2431.13 3065.9 3052.55 2708.58 376 327.18 1497.35 1694.25 1696.91 681.39 2076.6 3320.76 734.47 5772.6 717.05 2473.07 2743.33 5968.51 2372.59 1146.58 830.07 546.96 2047.69 2558.84 2223.37 2423.24 2328.77 1821.13 2391.36 2265.38 2474.9 2438.23 Lys-Ser-Thr-Arg-Gly 19474.16 7270.1 843.29 4680.08 33387.85 2947.94 795.53 19361.18 15675.91 14645.87 1082.94 1514.77 6217.99 1391.44 1757.79 23384.78 480.59 13471.24 3174.89 31761.47 18596.43 15186.21 2971.64 749.33 15354.33 19607.16 1823.24 982.53 18747.48 7301.94 17232.16 7637.91 19145.93 2413.28 5021.65 10280.33 14661.81 3762.91 427.21 2333.06 7002.71 16062.55 7091.5 1674.04 16017.38 3199.54 19305.49 10310.05 21473.72 10674.27 16893.01 3112.13 1180.34 4143.33 9542.9 11197.28 3310.98 1104.38 20134.36 10265.87 4978.05 965.89 13614.52 7043.61 6077 17983.66 8724.88 2369.21 5458.29 15938.68 13113.52 9846.88 5691.56 9321.32 3654.91 8168.27 9263.25 9366.9 9319.01 9107.14 1817.63 9256.58 9801.15 8316.91 Antillatoxin B(red color) 2180.62 2417.84 1585.62 1628.63 268.9 68193.31 21732.2 2252.67 2011.14 2048.27 1721.73 642.76 2230.08 1753.22 2194.98 1707.06 1323.96 2135.52 2109.24 3391.64 1775.84 2010.62 897.79 1610.56 2355.74 2201.84 1884.55 462.07 3370.35 3724.31 2214.01 42048.94 1417.68 2313.93 1759.01 2885.04 2139.86 2439.38 1768.81 1381.98 4777.41 2627.02 1308.73 1444.78 2671.54 3081.3 3342.5 1571.97 1012.71 2616.94 1540.51 1572.76 1418.57 479.89 1536.34 1853.99 1107.99 1192.89 1549.9 1686.88 1565.39 971.42 1636.07 1428.36 1124.47 1750.2 2441.01 1350.05 1438.02 2061.81 2208.25 2073.09 1734.95 985.15 2212.92 1042.37 1869.04 1756.06 2488.9 2659.79 2414.55 2969.29 2038.58 3138.34 3421.68 1393.75 2047.6 1889.75 2947.37 1696.23 703.71 2523.7 1108.84 2256.97 778.13 2547.86 2323.5 1577.12 2048.29 3125.61 4489.15 4507.07 4522.63 4385.89 4489.66 4468.73 4144.74 4423.71 4475.18 Asp-Val-Asn-His-Phe 873.08 7360.64 8060.61 8533.37 3678.99 11923.97 5391.66 4803.58 10945.03 16171.02 651.64 624.67 7694.04 6750.76 8541.16 10294.72 13485.17 21547.54 1679.03 34484.87 2528.91 9687.76 4547.03 7149.8 5319.13 23928.59 7156.03 1527.06 3889.81 13424.71 6764.54 1803.86 1293.36 13619.08 8742.57 8053.08 1574.79 12995.49 6846.12 5470.73 12971.74 4362.75 11451.76 16043.93 3441.47 14186.36 17800.16 9510.81 8315.82 10496.02 8442.58 19320.53 17741.12 12739.11 1585.02 6915.07 6342.24 9245.33 15650.43 18880.79 8550.5 7391.73 874.71 10461.17 10235.3 1769.4 7712.07 10051.85 9210.44 4996.77 2693.66 23250.27 3994.29 10366.09 9149.66 11944.42 11434.5 9043.52 14046.42 10742.66 11422.84 13410.45 10932.72 11200.61 Asp-Asn-Phe-Lys-Ala 1636.73 17469.85 1343.9 2086.31 9354.33 12444.76 2432.47 9480.64 11973.79 19219.77 5551.94 5554.83 8960.62 23478.8 2145.34 10609.03 1756.05 10023.36 7746.61 31962.75 8437.77 4659.1 1984.05 1060.13 11614.73 7669.37 5334.65 22569.97 11155.53 2017.07 6197.02 7515.43 9457.82 18630.25 36336.62 10591.8 14348.89 8744.7 32294.27 7841.9 7955.01 1190.9 17406.6 9159.5 9365.64 4468.83 4298.69 21845.88 18742.24 17403.32 6606.02 8941.53 14264.02 8552.01 5145.72 12509.23 6528.32 15182.01 3171.05 2091.76 7575.55 6951.03 12399.03 26460.28 24105.82 4168.59 9445.1 10806.13 13521.96 3138.52 6887.75 8408.5 14635.67 22208.54 5661.61 9704.84 9466.82 9397.17 9408.43 10154.86 10432.05 9711.14 10263.74 9914.25 Asp-Val-Glu 2004.26 1914.46 1500.13 1068.42 914.59 1632.7 1628.45 1961.13 2622.44 401.93 1380.89 2043.77 1051.26 2994.34 1936.99 1877.81 1247.86 1064.59 2374.79 1800.25 1694.19 3400.05 1072.4 1879.23 2777.28 433.76 1439.14 631.15 1237.72 1016.81 1162.07 3216.09 1590.12 715.39 1119.99 2123.32 1690.78 1109.46 1135.72 715.66 1747.98 1739.42 1248.52 834.72 1891.53 1513.61 1824.33 575.8 1503 892.22 2354.8 1609.1 1386.73 672.68 598.73 2017.48 656.28 605.93 1546.44 1484.86 927.09 2053.14 1082.21 1103.77 919.98 1300.99 2286.8 728.29 356.11 1223.51 2108.87 421.53 366.05 2067.75 2222.24 2028.31 1871.71 1578.57 2025.15 1944.49 2056 1857.14 1791.32 1870.84 His-Val-Thr-Glu-Glu 1239.69 12358.58 1330.34 10814.08 6172.38 5303.13 17047.11 7456.75 8959.36 26038.63 28753.38 1872 1628.93 1428.13 1869.23 33908.65 44015.38 28799.91 17555.8 1902.77 15974.79 2995.62 10766.03 2920.34 3716.66 2219.18 604.56 1892.22 24757.61 4657.36 4543.94 3407.04 17051.79 16068.98 15887.51 7935.96 3217.61 18958.67 6673.17 5688.89 21526.65 8900.5 9267.01 15820.93 17953.8 8416.69 39210.76 7207.74 22993.86 8195.12 16432.18 18580.76 8865.82 16468.67 5473.44 16133.68 18529.22 8599.93 21037.14 15848.42 13095.05 8030.86 9755.46 13800.57 11428.08 15586.47 11911.03 18673.66 14643.06 6531.91 21578.51 11660.62 11771.72 25331.35 11019.74 17627.12 15727.18 17490.74 17298.82 17672.48 16980.57 17412.14 17027.99 19039.78 Ala-Lys-Gly-Arg-Val 7675.08 6177.86 21116.26 11451.33 1866.5 21895.5 4000.91 5342.8 2765.76 10885.35 1512.02 4236.85 5585.64 5206.61 778.08 10891.38 2070.81 4688.14 9227.37 6582.6 5401.9 12373.62 2674.82 5061.62 2704.82 3692.66 4212.94 1239.28 2936.24 2551.49 6037.14 15595.31 9077.41 2021.38 25253.26 9920.79 5843.19 4106.82 11458.92 8116.96 11244.44 103536.7 39267.62 11890.74 3719.09 14663.77 21417.36 13054.53 21675.26 14192.98 20585.05 38067.86 15592.97 6585.81 69474.02 10607.71 4048.95 2705.54 4524.57 36516.75 23568.93 14961.2 7657.96 16035.2 12937.5 2862.14 19853.38 19945.17 11470.81 19074.85 10825.17 15662.09 6629.3 4645.21 27808.31 15695.54 15920.21 15528.16 15397.44 15633.95 15695.53 15384.21 15380.64 14241.22 Tetranor-12(S)-hete 33540.81 62516.41 28696.35 37779.98 11128.52 30710.77 37207.09 41339.9 39790.41 34319.24 39422.87 30156.14 5347.89 35387.39 70634.6 42397.14 59954.47 63064.08 37932.76 63880.55 40951.83 27159.92 23103.33 30113.61 34577.92 56575.67 40880.49 37096.73 38732.48 74511.49 48364.31 45437.4 72440.79 37523.62 40907.86 35178.53 66799.62 66655.81 32524.37 63299.56 75295.22 36346.15 31673.53 44247.15 40477.68 7279.15 47806.85 48926.54 30557.95 36960.01 35499.03 43243.05 35117.38 32000.4 34713.93 48731.88 59308.18 52645.85 74124.82 74804.73 46121.41 41426.21 50720.81 56460.95 65854 28034.6 52623.67 34857.44 38137.99 49657.74 72964.26 48731.14 54811.58 50216.36 48712.92 40492.07 40728.89 40947.91 40497.44 39561.09 42400.65 40491.14 41294.03 40934.45 Lys-Asn-Arg-Glu 1416.32 1563.97 1571.35 1470.18 2041.51 2321.55 1264.13 917.92 1137.73 2299.98 965.62 976.27 1672.84 1762.98 1165.25 4820.04 978.7 857.48 906.75 1033.17 1276.03 2919 593.33 4860.91 3794.98 927.72 1537.22 1633.86 1504.54 1507.49 1920.22 882.38 890.2 1763.66 573.39 3594.02 1644.39 699.26 751.59 3060.97 1300.1 1545.44 3647.36 497.63 1664.09 1214.19 2947.38 4210.86 1505.18 2584.44 478.54 1316.35 1080.54 448.39 794.32 615.39 846.26 2021.01 1869.23 5918.08 814.9 1735.28 812.91 1683.63 3858.68 1649.43 996.01 1367.96 2380.96 1066.25 1790.5 1786.98 1330.14 6265.96 897.3 1704.16 1608.03 1289.09 1668.04 1524.83 1566.19 1695.42 2048.97 1528.95 Asp-Tyr-Asn-Leu-Leu 2375.71 1262.32 3154.58 6005.76 4297.8 1274.95 2732.34 3491.21 59142.92 1297.82 4049.72 5817.02 12763.1 7902.97 2292.19 6877.25 2204.95 672.8 674.44 1384.28 5636.07 1129.62 5301.68 4216.9 1441.96 1462.92 3189.13 3333.68 6222.38 2840.43 1264.41 5149.84 615.96 9724.48 3959.18 4254.41 2291.75 1154.56 4737.92 98353.69 4213.7 3300.37 4554.03 1938.6 3428.58 6160.16 1654.51 5575.98 9469.44 6963.98 3136.48 5224.24 6275.86 6104.43 4173.6 5883.26 2783.19 2240.45 696.54 3629.14 3307.19 5185.42 2287.52 4736.49 1160.48 4725.54 1283.57 4129.43 3623.03 3857.39 3131.97 5953.99 4001.24 3409.58 5387.58 4266.95 4397.47 4396.32 4255.22 4698.69 3932.53 4410 4395.08 4339.31 Arg-Ala-Glu-Lys 9692.36 5737.22 3640.45 347.63 7123.09 471203.47 114543.09 6540.58 11934.75 5455.24 4584.62 5263.99 5568.27 4739.65 15301.14 11549.32 3350.07 10511.72 840.28 1185.33 391.07 5569.36 4032.2 4028.54 4827.03 8471.6 7302.15 4223.39 13082.56 5820.86 11988.78 238632.88 7567.55 4466.43 4190.8 7595.01 5998.87 5655.08 3956.97 4064.66 14761.63 6631.42 3881.16 4190.71 6153.77 8923.17 7596.53 5486.81 4336.88 7548.69 4814.18 5027.84 3921.22 4357.26 4112.51 4241.02 3915.15 2514.67 4415.01 4551.55 3197.64 3620.12 4652.22 3489 3207.82 5425.91 6249.02 3869.25 3637.75 5023.43 5142.11 5008.57 4258.44 5034.93 5994.63 18318.7 17581.69 17768.72 17377.06 17774.51 17491.99 17498.51 17950.16 16719.74 Phe-Gln-Arg-Lys 8604.25 9050.75 9001.16 12805.45 15145.15 15122.66 17797.69 13238.51 12987.19 14428.19 12528.17 17272.91 20641.12 19299.35 8821.32 21963.15 12291.9 22543.72 20923.06 10405.92 14246.31 5805.48 14137.16 12098.28 11699.68 18667.21 14379.32 15652.98 19049.3 4669.02 15388.07 42926.33 6670.23 19275.46 453.9 2998.51 9182.12 5451.69 1455.58 3342.88 7098.68 1748.95 14626.18 4210.22 2764.64 22524.9 2077.75 7083.91 9816.34 45619.44 6970.27 6487.53 6768.67 20461.42 8175.14 5104.63 26864.32 4854.68 5235.69 6415.31 3413.4 4615.2 8693.55 1622.87 2713.86 5482.11 6651.43 2749.92 14983.81 17527.22 14458.24 10248.72 37434.51 6366.74 14571.03 10483.75 12260.48 6990.18 15088.88 10536.5 10082.87 11038.3 10921.77 9476.14 8(9)-EET methyl ester 7883.07 12005.53 80645.27 11911.48 32341.09 30640.63 12861.71 4217.64 9337.18 7386.11 8144.99 40136.29 34274.22 25758.34 31384.7 19348.31 17361.41 18661.6 20725.92 26996.06 19892.06 13993.96 9211.22 5876.81 7806.81 17254.29 17246.7 8711.64 14531.73 15724.87 18197.61 23734 5119.06 17123.23 21056.07 11485.1 5558.5 11917.34 5830.39 18622.23 19545.27 22076.07 10180.29 23108.63 19469.61 5534.41 12226.78 18366.96 8963.58 52133.69 13817.67 12213.49 10567.34 27383.66 14821.4 18428.74 97851.34 9173.06 12627.87 5989.9 8710.43 7409.81 10571.91 9631.89 15043.85 44781.32 28098.64 8698.31 10078.32 5962.1 9834.35 17432.48 7981.87 16685.01 40859.2 24922.15 26988.11 28072.93 27930.98 26335.29 27327.29 28113.19 25266.6 28114.76 Ser-Pro-Thr-Phe-Leu 4643.93 3550.4 1012.3 762.87 4548.01 1997.22 551.03 26442.27 24476.58 3960.08 1792.42 2823.19 3537.11 751.49 28184.16 3768.85 1142.92 25000.48 4380 31929.63 24767.72 672.19 1311.45 1511.47 25984.27 25843.48 1657.03 5189.67 3408.43 3525 18367.29 6898.73 19821.88 1788.78 1867.27 15174.34 22538.37 2275.66 777.39 1978.95 8574.78 32350.38 2370.64 2008.4 27859.92 746.84 14536.54 5629.42 3446.36 12142.53 11680.37 4782.65 3955.1 1731.81 21200.96 7680.13 1893.99 1890.64 30277.32 1498.53 436.95 2449.81 13788.26 1418.3 872.57 22420.09 14693.84 1891.14 942.94 30631.44 17177.65 6179.16 3293.8 2365.11 4640.84 6679.38 4326.91 6363.1 6428.83 6403.21 6714.72 6697.94 6613.59 7309.98 Val-Leu-Leu-Ser-Cys 2350.89 3131.53 1340.51 984.69 7258.42 2874.59 582.5 2017.43 3016.47 1469.89 592.62 10016.85 3201.04 1876.46 3669.31 7541.59 3921.49 4155.29 3357.31 5112.71 5039.68 1550.84 1627.08 2589.93 3423.94 1706.54 3308.23 2055.36 2836.53 1856.17 762.48 1295.87 1339.51 641.11 1750.53 5422.93 1487.88 7038.21 3050.97 1644.85 1069.05 1802.44 1027.04 1672.66 2724.46 1738.9 4230.15 1710.58 2864.92 5090.23 2586.6 1336.49 635.25 2733.83 1033.42 873.27 7027.11 3225.73 948.95 1661.85 364.3 1230.49 2092.54 1922.06 1730.28 2431.35 814.19 2733.8 1036.99 1758.9 680.15 1861.18 654.87 2365.98 1281.44 5029.26 5169.64 5005.04 4709.16 5151.29 5258.5 5311.23 5254.27 3329.86 Ala-Leu-Val-Arg 30006.41 13880.88 4327.11 14529.07 24770.53 19135.58 40804.77 20653.39 21597.18 13876.57 14151 34760.31 42323.87 18149.56 19029.26 20784.03 11684.59 36732.33 26512.04 40737.99 16098.09 9560.04 9440.53 17632.66 25117.02 11336.11 19077.67 24672.47 22344.68 31747.19 37732.32 51273.1 430.44 12057.8 10913.17 36552.52 17353.82 559.88 17166.59 9181.88 89266.82 56468.81 10538.17 10063.89 41186.28 32653.52 20543.12 11789.3 25425.94 33852.38 34592.16 13854.09 17457.86 29844.57 18261.45 15727.94 5682.7 5004.49 16136.24 7108.42 10639.84 7546.49 10171.34 12067.84 8606.86 32397.59 27097.33 18704.94 17732.44 12701.32 11704.54 14611.95 13784.42 7703.99 12413.03 24368.8 24232.41 23935.95 23917.8 24119.55 24091.47 23773.71 24230.26 24219.64 (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate 917.95 1923.29 6486.57 4495.84 6177.92 7418.96 7330.19 4105.57 1327.56 1519.51 2689.86 1146.26 2993.18 3248.7 2664.42 967.78 2553.06 955.81 4768.77 1663.58 4081.86 589.92 1227.89 1201.3 1396.65 2972.44 1065.13 1367.62 6155.78 4872.62 2733.11 2587.97 2204.63 1862.31 4460.12 3127.04 6060.94 1106.99 4886 6713.62 8935.14 2756.4 5250.91 1232.4 9625.43 1805.23 7432.34 4898.2 4593.29 1900.61 3091.21 6555.02 12251.34 8902.83 3711.98 4867.58 8329.96 7168.22 1051.04 6162.84 3417.92 3406.62 4395.11 4255.14 5456.37 750.79 1151.34 1132.64 9380.99 3039.04 3000.68 2520.64 9410.99 8884.37 2507.07 3684.44 9106.06 3779.48 3667.58 3712.76 3676.99 3896.33 3829.68 3772.71 3698.52 5041.39 3547.81 3749.59 3920.17 3558.71 3757.44 3634.93 4896.73 3559.65 3631.58 3584.89 3694.9 3525.42 3593.51 3663.06 2993.13 4897.79 4658.22 4737.7 5106.41 5468.46 7420.49 4010.78 4800.29 Ala-His-Leu-Asp 15318.69 20772.79 1182.12 1940.28 3196.19 20449.92 14834.06 17346.49 24563.01 4339.69 10367.26 10281.73 3776.08 10453.68 1135.11 715.59 9020.85 1350.88 1209.75 40522.44 30740.39 7295 628 10676.63 39069.61 25952.51 3651.9 17180.33 23325.03 10844.98 24281.79 22335.73 17694.11 10385.06 12882.88 23154.52 22596.17 19270.35 13475.85 11150.61 25671.62 35828.38 11515.37 7836.62 25913.78 19410.41 20986.51 9495.35 10795.98 18594.6 20674.82 14949.38 8728.37 16774.63 10791.28 16718.22 4825.2 8301.81 22507.53 20254.26 6277.9 8135.1 13127.02 9322.41 6475.58 19773.42 19399.84 12454.09 13782.32 22619.27 18747.28 18806.17 12464.2 9522.4 7630.4 16479.44 14773.41 15748.05 16071.88 15839.53 16454.81 16102.23 16421.12 16416.79 Leu-Glu-Ala-Ile-Asn 1704.46 776.59 11657.3 10522.77 3425.45 1038.7 3748.32 3153.97 5071.59 1725.71 708.11 625.64 5661.74 4004.2 3599.35 5490.17 1430.53 3976 17180.03 4875.69 2610.53 1689.38 717.88 6912.53 3139.05 6996.16 2682.18 1167.6 1815.88 3244.13 2359.66 2864.23 1779.85 5941.35 6248.59 3533.67 3635.15 7426.03 3912.4 3520.05 4259.54 3782.67 9296.16 5057.88 3121.72 4880.47 14957.34 6125.12 1025.44 8571.78 3395.18 6836.95 5770.28 11280.66 4977.26 10304.29 3902.43 4301.25 5131.01 2957.39 654.97 540.2 3972.65 6926.62 5643.25 4121.09 2011.15 1798.18 4021.77 1115.72 699.89 3983.88 4656.95 8356.15 4957.52 4294.08 4187.15 4193.41 4461.44 4516.42 4492.94 4390.08 4283.8 4661.66 Leu-Arg-Lys-Arg 18518.38 24128.95 23169.29 28304.72 39482.92 44453.37 32211.11 31073.99 21859.63 20744.49 25993.55 23482.76 26992.51 28314.47 22027.93 41987.21 18304.93 25700.49 41745.58 32788.73 19432.19 11947.32 20485.32 32350.65 24151.54 28147.68 27810.11 34330.99 41524.42 15903.65 35981.77 99930.11 9713.49 33120.39 28439.9 30326.01 21555.7 15099.64 22855.58 22000.21 34295.54 32134.71 26375.33 20754.92 39924.03 47225.49 30404.26 32174.31 3010.41 71065.26 23118.18 17417.73 23751.42 34466.99 2320.7 17341 16146.22 19417.26 16381.18 13103.45 16011.11 16086.42 16869.47 30165.92 24858.65 22718.6 9918.01 23231.69 27301.55 24732.79 28590.23 35355.19 37074.73 30037.35 2286.32 31098.03 30051.47 29733.36 29988.34 29310.89 29779.55 29528.73 29736.22 30003.75 Pro-Pro-Asp-Gln-Gln 3453.12 2059.63 7405.79 704.63 3923.37 1365.6 4533.88 3689.92 1584.27 1808.18 14315.61 1765.77 1137.99 7864.71 4788.88 40343.75 15816.64 3853.01 1984.85 4471.28 1073.4 2181.34 3251.39 3764.93 2432.8 4626.13 3758.24 2240.55 4845.99 886.67 4509.37 4944.57 435.09 5327.03 8744.54 4270.02 4633.6 5653.49 4387.7 1362.96 9295.35 5965.07 1915.87 5449.44 1994.49 1481.61 6408.04 7183.51 9321.37 11675.92 10247.53 4164.36 5450.69 1607.42 4723.83 5946.29 8878.62 832.86 7580.81 4559.06 4363.44 3877.26 1606 7678.31 2057.37 5575.99 5870.23 4560.08 4505.22 1262.71 8648.88 7273.18 4301.62 11183.19 1956.61 6277.56 5623.1 6667.27 5629.06 5597.35 7725.73 5662.25 2802.22 6137.15 Carbaprostacyclin-biotin 35819.05 43489.87 18060.77 22130.53 29926.82 69040.01 38112.66 23745.02 26129.35 24937.2 42195.58 62170.67 95273.68 64524.77 48794.09 53051.04 47187.67 66032.06 59839.6 62001.84 57712.42 41043.59 35773.93 19694.41 23075.13 51659.43 14959.16 34525.96 48794.2 49679.96 77052.16 105241.11 37661.77 56017.32 36059.48 48619.38 43167.28 70458.16 45409.06 42319.98 90684.4 100252.96 42394.68 42530.76 77867.66 59619.97 56030.24 60879.5 66993.91 135172.93 65952.12 82511.22 40583.89 61648.22 28596.74 63828.38 40352.18 28317.7 24787.34 30039.17 26671.47 20811.71 33575.86 27921.44 23466.34 49234.63 82874.82 32985.47 30323.2 22889.6 45828.29 33281.81 32558.98 91746.19 63591 3354.53 3561.4 3456.92 3808.82 3098.38 3842.35 3144.9 3093.74 3079.17 3404.24 1599.12 3418.08 3028.45 3579.39 3676.24 1456.84 3031.21 3262.09 3578.5 3140.08 2667.16 3554.33 3177.89 3362.09 2980.78 52288.02 54821.57 55769.46 55364.14 54842.75 54893.09 58460.52 55806.49 55117.84 Ala-Asn-Lys-Glu-Lys 26835.88 25812.5 14156.34 14226.33 39872.67 42105.05 31065.43 38160.64 41059.23 35035.4 19258.36 5206.29 6674.68 3849.99 26958.17 27425.46 12254.02 25782.64 24670.48 53703.37 36450.25 22344.73 23940.08 22186.15 28955.03 31281.41 22009.4 20755.41 9317.51 9912.85 37249.58 20007.62 25753.24 33545.4 19629.9 4942.12 31062.87 25683.34 21885.95 15388.26 60033.93 42144.79 14763.65 12712.17 44202.28 15985.69 15990.77 4176.95 1690.94 2844.21 28843.32 30332.13 19166.47 25874.84 22277.53 22465.03 12991.66 9836.2 24225.4 19047.35 15874.4 21909.88 23060.37 18588.16 11115.06 29099.25 44520.42 15976.59 17988.47 29590.94 23513.78 32242.26 19226.31 16571.78 23105.95 24189.55 24088.84 22595.09 25815.05 24616.03 24096.92 24578.08 24368.79 24081.24 Lys-Asp-Leu-Ser-Leu 3361.29 2982.94 2589.6 979.58 983.56 5821.19 3185.23 5114.18 1771.06 6175.57 381.35 10046.23 12209.79 2929.87 398.16 1139.57 2565.3 3923.24 479.98 1176.06 5068.68 2217.96 4544.36 1639.79 4664.28 984.32 1504.94 997.61 18460.06 7289.04 1531.1 1500.46 7908.92 1657.2 2686.49 17648.36 4038.99 4900.37 2661.09 1177.22 5338.96 5405.76 3636.77 3041.05 1062.88 1268.2 22185.86 10435.22 7690.46 13952.6 4382.36 3957.4 5063.54 2028.77 1735.16 4913.17 3439.09 2188.78 2450.82 4248.53 1954.83 1912.55 1391.69 4061.51 3228.49 3694.98 7762.34 3177.35 3227.41 3682.83 3974.61 3927.78 3516.88 3217.39 4426.36 6680.9 6113.21 6245.9 6325.47 6089.72 6269.17 5640.01 6234.61 6213.71 Arg-Thr-Lys-Arg 3835.83 3406.24 3272.86 1999.99 10769.3 6239.3 677.86 2147.79 3621.77 2895.04 3796.12 4370.91 3997.5 5656.67 4032.28 16492.42 4098.89 2293.67 5136.92 7587.41 4012.91 3637.96 3127.06 14685.45 1581.93 5340.34 3003.92 2577.84 4380.95 2734.17 3683.33 4370.07 5802.23 4606.94 3353.56 2549.12 4578.02 4433.51 2732.91 3124.23 6844.39 7344.61 1754.64 3210.51 3812.89 2057.9 5667.88 3212.51 1843.05 1420.03 4185.78 7284.46 3950.78 2445.09 3450.4 4002.89 2828.12 2372.41 4413.73 2434.9 3482.51 2384.34 2985.17 3855.28 1625.04 3401.14 6486.23 3093.3 2815.82 4162.23 2323.99 3628.34 5713.46 6301.69 5381.57 4270.9 4114.7 4126.21 4797.84 4355.44 4384.44 4159.38 4077.4 3405.22 Phe-Tyr-Lys-Arg 18410.7 13609.85 9550.39 11725.9 160149.38 276113.08 113475.52 20278.93 26030.91 18453.86 13486.54 16728.36 20278.35 15346.81 21606.44 14373.82 10547.53 3416.95 18010.26 28600.41 22204.4 14578.99 14024.71 13835.86 1359.6 22685.53 15122.94 13115.98 15423.74 14762.7 17795.69 266657.38 16031.89 18203.47 12578.96 18170.37 17558.44 15383.55 13367.46 12765.62 36580.9 6652.68 6546.67 11545.8 27392.9 16956.18 26323.89 14868.46 8981.49 20088.29 16205.18 17229.69 5232.35 12260.13 5559.01 15336.88 3630.2 9357.81 11898.62 15618.72 11280.37 2496.64 14977.95 13535.5 13988.35 16201.08 16826.77 3636.3 9904.35 14999.08 15265.38 19006.05 13789.01 13992 12273.49 29589.65 29436.54 29473.26 29556.43 29585.42 29064.12 28315.97 28985.66 30198.89 Val-Tyr-Gln-His-Val 562.44 777.83 349.74 1121.98 540.12 5849.73 913.62 957.92 1388.33 332.81 392.94 1549.24 612.84 931.94 675.59 502.07 403.45 413.63 825.07 637.52 1328.36 1379.37 332.9 280.12 678.72 625.01 449.17 7857.36 681.14 354.97 8397.23 400.54 1494.5 1093.08 717.74 1696.36 706.78 3341.44 1076.81 759.66 3269.31 1377.43 758.8 544.21 4221.82 1534.66 2244.37 1159.78 689.02 2194.4 1002.86 1648.98 1114.03 739.56 516.27 2984.55 612.6 709.96 1295.99 793.12 895.8 798.36 994.46 1185.34 1294.75 1649.93 2169.46 614.86 946.66 1631.99 1632.44 1246.56 1041.69 1741.94 880.91 1339.49 1905.58 1516.91 1815.96 1808.07 1877.91 1859.13 1731.34 2078.54 Lys-Tyr-Ile-Glu 432.55 1152.74 1065.25 453 1960.53 2017.44 2157.93 950.9 1485.12 588.44 839.9 1228.49 3287.73 1330.65 3001.51 978.27 1286.39 642.44 1096.45 508.68 942.09 2219.71 702.58 780.73 1229.92 1433.88 404.87 872.25 1293.3 337.18 370.46 834.1 2764.14 795.12 1624.76 1331.58 1704.61 619.44 1429.4 1547.44 771.73 914.25 852.03 364.27 1118.78 1810.82 677.57 509.41 700.21 2137.99 2411.83 1867.21 1115.46 6252.02 1404.24 1242.62 1113.6 1338.27 1186.72 3563.14 958.95 1248.84 1852.86 1972.83 405.35 1706.29 782.62 357.72 460.15 1695.01 851.53 374.1 1928.25 669.28 3210.8 1115.65 1721.92 1713.3 1856.7 1856.19 1711.17 1919.82 1856.66 1741.93 Arg-Thr-Ala-Arg 12345.88 9617.66 7049.76 8612.37 14103.76 802236.84 235560.99 11434.63 10465.52 8544.86 5582.03 6866.84 8076.99 9240.02 8635.95 7755.02 5820.32 10445.48 8066.96 11715.48 7860.64 4875.03 4793.93 8932.69 9415.85 10487.45 8438.5 7735.58 18429.59 9592.11 10447.32 406930.92 5095.21 9792.82 8479.01 14304.59 9389.99 9650.57 7893.79 6878.36 31906.61 12205.52 6757.52 7012.46 11842.91 15956.04 13870.64 9352.81 7949.56 12323.46 8244.01 8674.49 6623.13 7590.51 7478.8 8544.47 6690.44 5571.85 7733.64 8617.35 6447.02 6612.58 7557.47 7142.07 5163.84 9336.96 10150.68 7986.53 6865.69 8281.17 8094.3 8763.61 6896.62 8276.3 11171.91 3189.76 7763.35 3299.11 3331.13 3277.19 3397.02 3367.97 3385.8 3397.5 3228.73 4019.57 3277.66 2817.42 3249.0 3020.1 3299.23 3052.77 3222.37 2878.86 3242.0 3948.02 3097.06 3000.08 3781.47 2909.71 35170 35167.69 35177.63 35104.7 34895.44 34929.01 34025.33 34971.93 35172.3 Ile-His-Arg-Arg 1220.02 1920.14 673.57 626.54 30676.93 1292.55 2034.45 9933.62 11016.24 2737.42 854.72 8457.88 1209.14 637.41 11133.04 8986.86 2486.43 21740.96 11874.27 11179.11 12422.21 789.91 917.08 866.49 16820.17 8794.8 1354.96 860.15 13819.1 4763.54 9459.45 24650.01 7458.75 808.17 827.93 11429.4 10351.8 1043.58 433.32 3016.71 3340.4 11346.57 993.9 2912.92 14438.41 1340.28 8191.94 3186.57 7491.24 12176.54 4157.49 2238.51 1905.98 2748.19 11012.99 2417.06 1939.92 423.55 18313.51 502.73 1449.28 448.75 5558.47 1735.36 2012.82 14016.06 7599.18 4275.27 4083.32 9456.45 6021 1475.65 8588.78 1632.25 2844.96 10137.73 15705.76 9224.72 7561.46 6971.19 8851.0 6092.18 9133.09 9110.06 6699.29 8302.3 9650.53 7194.74 9618.97 9718.71 7114.16 9261.17 6552.96 8091.35 8634.55 10382.58 9601.71 8208.27 6840.39 6236.08 7159.97 7262.99 7167.11 7544.28 7167.9 6218.92 7189.22 7338.21 7291.96 Ile-Leu-Asn-Asp 29897.45 44077.3 21520.87 694.68 53771.85 65216.16 887.05 81215.45 42733.72 52674.28 15196.97 96040.33 16445.69 31921.59 75882.95 62140.58 19038.29 151652.64 171621.56 147497 77503.6 54240.74 31802.38 20394.86 70983.28 95734.78 29749.28 13386.77 157803.32 133033.91 67546.61 265614.8 77919.63 44025.32 14320.63 106484.72 90493.1 42678.56 23109.03 13824.22 91266.09 147963.41 30575.53 10316.78 126069.02 22666.98 94207.99 71686.62 37305.47 117541.3 78039.66 35478.56 22507.55 3874.01 42764.53 58974.74 13457.14 20880.01 136952.2 20936.65 20675.63 17621.28 36621.45 24195.58 34892.88 68270.92 60217.75 28026.19 23333.87 77214.94 32285.26 66968.52 34379.41 31652.87 17062.53 62767.93 62763.26 62238.93 61147.71 62631.66 62402.08 62672.56 62252.61 62237.95 3-HYDROXY-3-DEOXYANGOLENSIC ACID METHYL ESTER 1645.03 315.87 1219.3 563.44 6384.86 35077.95 6819.19 1432.74 513.79 1090.25 672.74 496.62 2817.67 902.26 3512.36 1618.22 1060.95 3688.94 2178.33 6732.1 713.88 1642.61 1035.71 1163.26 2047.01 490.34 970.15 274.78 1285.38 1346.01 2830.24 35562.04 1658.8 689.16 629.72 978.56 675.56 3057.71 1050.65 404.02 2875.29 853.71 674.44 836.9 619.85 1812.14 976.39 1054.27 884.2 1805.89 771.06 1244.03 467.72 1670.05 491.88 1120.22 904.83 1937.03 1034.92 282.33 2871.53 2485.44 465.99 983.85 360.35 545.49 1684.51 644.74 1291.81 1543.56 844.22 1186.07 428.88 644.45 856.16 3010.5 3788.26 2780.3 3044.19 3153.54 2993.4 2845.45 3504.51 3085.01 2949.97 2694.08 3368.86 3209.64 3095.65 3044.55 2335.26 2998.07 3366.28 3052.88 2959.4 2851.05 3132.78 2867.2 2736.51 2857.07 2477.56 1678.37 2482 2221.24 2226.27 2416.02 2277.9 2367.6 2512.25 Val-Arg-Gln-Val-Asp 791.3 1098.43 658.46 1113.45 1802.05 792.2 9574.26 2609.76 1160.93 1114.28 930.72 851.81 942.99 659.49 12263.39 901.63 670.79 1156.16 879.2 389.5 5179.54 465.88 1939.7 1405.39 951.03 1046.23 1463.66 943.83 864.18 1051.88 1422.53 3298.09 2096.19 8742.55 656.06 2119.98 9269.28 2550.33 6657.13 7094.8 2521.47 4152.47 3396.96 4699.38 2634.43 4214.37 4954.34 4322.53 348.93 2573.29 2930.98 2802.92 5593.91 6579.97 9158.02 3955.18 1269.41 7353.73 9065.06 4070.13 4973.64 1229.17 11596.93 2362.34 5034.9 8657.38 7769.55 3191.02 2863.69 4149.18 2254.33 2791.51 4414.86 7115 3008.95 4160.5 4296.03 4241.39 4166.97 4290.81 4362.35 4205.09 4812.65 4184.85 17-phenyl trinor Prostaglandin E2 serinol amide 14821.44 25528 5163.42 1050.3 16646.61 11595.95 1044.28 15858.34 18120.11 7078.44 4560.98 16005.34 5540.42 8688.81 18723.29 8240.41 4299.96 18382.34 39803.15 30071.68 21050.98 7002.96 1764.03 6487.17 10086.64 15340.53 4881.14 5246.28 30401.03 10752.35 26208.13 36040.57 13822.53 2592.63 3881.85 11068.55 11138.83 10488.4 1826.31 9187.01 18676.62 17726.91 5569.09 3751.72 15501.83 779.95 16921.04 19174.88 9108.3 59591.84 8625.63 8446.82 1086.48 8689.92 9543.49 17449.26 486.56 569.72 12622.26 3899.56 3549.26 1020.05 7626.62 2160.34 6974.54 16972.42 72646.21 5601.19 8084.43 17454.26 17971.95 10731.2 4144.99 5364.97 3149.04 11632.31 11615.44 11289.67 11635.97 11877.55 11634.8 11529.4 11501.39 11637.53 Abu-Nap-OH 20641.53 597.59 6403.27 5579.03 20716.8 10106.54 8950.98 40859.96 65065.33 14171.86 15049.31 11393.74 8840.85 13224.28 30229.41 879.18 62400.74 30377.98 30393.15 69259.23 31980.37 6938.14 6978.57 17147.77 68795.38 29110.09 38058.57 18555.53 5153.71 21212.09 62561.13 17181.79 12117.27 9652.9 11596.89 29852.18 49422.55 2181.1 2757.58 38963.09 36729.15 2713.08 15340.11 5875.55 44120.5 463.7 58112.88 20544.01 21433.11 27212.87 2158.72 14401 2871.08 10425.11 37938.86 2017.26 14786.58 14189.79 43215.35 5920.16 4375.9 3531.42 20655.21 30058.9 28880.67 47903.21 20993.21 8205.85 29162.71 58245.49 40020.95 39351.02 24211.74 16860.5 11715.5 27807.57 27442.79 27814.05 27802.46 26757.17 27444.71 28161.14 27877.93 27442.41 (4-Ethylnaphthalen-1-yl)[1-(5-fluoropentyl)-1H-indol-3-yl]methanone 1270.81 5669.31 513.25 9402.96 4051.53 3381.23 6651.58 666.66 1942.99 583.03 579.82 1549.49 1868.3 657.71 3746.07 1524.65 874.92 670.83 582.57 455.79 354.22 410.92 379.46 399.84 705.79 794.05 1060.89 253.05 2702.57 980.86 350.84 2393.42 1471.45 1470.02 513.11 786.88 1599.52 1354.05 963.79 4271.29 12511.21 976.97 809.29 1179.79 1540.49 1306.91 1256.87 1244.51 1492.18 665.57 1036.92 1710.07 872.89 1461.86 2747.18 5473.66 418.1 1342.41 1962.35 2807.62 2281.08 1171.87 1752.9 1911.64 4198.88 624.03 684.98 1376.22 1107.71 2514.5 2551.43 2191.43 1258.13 633.61 657.42 1833.44 2207.22 2751.91 2616.75 2046.16 2242.17 2678.11 3211.95 2761.19 Leu-Nap-OH 71384.62 77290.72 13181.84 6730.59 13793.92 147506.42 33627.03 8356.2 38512.01 30021.95 1640.86 1399.64 3445.9 1853.23 101362.42 11513.53 33863.23 10843.05 11096.42 55535.05 17352.82 85589.51 1469.81 2861.42 24147.86 93840.18 1948.23 4322.4 6184.91 1827.05 2824.33 7271.75 87290.17 23079.75 7615.91 7563.76 22374.02 90214.6 3443.77 6875.07 10296.81 33033.01 4789.43 4527.18 4920.57 8620.4 15706.4 7779.78 1922.31 11683.49 38449.32 33488.45 6198.85 9558.84 32837.41 56655.74 13088.54 12070.87 50016.22 91023.06 3989.59 1417.17 75241.27 10403.39 9818.34 30950.49 106172.42 1669.48 2675.44 25278.78 94836.35 6380.45 8452.72 14347.08 8372.16 29802.1 29389.92 29783.16 29610.1 29786.22 29385.33 29050.08 29456.45 29783.58 His-Val-Arg-Asp 2059.06 3517.85 2345.94 1881.44 23458.32 76169.6 28753.51 3425.46 1280.55 1657.76 401.09 2690.55 3972 2635.2 556.61 1834.32 401.36 1510.76 561.72 5414.64 1837.69 850.5 2223.07 2804.59 1101.12 1498.89 1004.64 2447.2 7090.05 636.44 1063 56113.28 750.52 2492.59 2306.51 4718.02 770.35 3130.15 2205.57 1917.69 8784.94 2634.28 3260.09 1612.19 3581.44 6097.64 3895.97 1925.79 2579.81 4873.95 2191.11 3491.78 1019.02 2419.28 760.37 835.2 2131.78 1900.56 2633.52 3283.8 2171.84 2238.07 1817.76 1504.73 1282.91 1954.44 1773.36 1563.98 1859.28 1779.87 1833.6 3820.19 387.74 2764.76 3574.89 17241.49 24556.21 16437.65 10223.43 12180.55 21933.87 19280.5 13469.66 16703.61 14658.89 16835.24 20578.82 15612.31 15636.54 15299.04 14569.97 22124.66 21347.39 15429.1 19349.64 27414.93 13866.27 21342.66 23942.85 23037.94 8305.04 8518.49 8443.84 8598.16 8540.05 8298.64 8389.74 8542.89 8299.3 Lys-Phe-Lys-Met-Lys 127.99 136.65 438.83 8536.24 9625.98 12133.97 16162.93 275.92 366.14 105.51 178 340.81 496.91 294.99 202.93 1258.3 164.76 248.48 179.69 166.28 196.89 102.13 320.01 553.53 192.29 202.13 294.44 227.69 415.77 280.04 113.68 200.03 234.2 1048.23 267.86 154.39 307.74 390.29 347.32 95.32 7392.69 136.53 305.2 284.42 249.23 5880.05 183.64 301.55 1115.6 738.99 451.02 256.92 441.05 987.78 1083.63 157.88 457.47 164.1 125.99 1003.61 272.75 936.64 558.52 283.14 242.93 89.89 268.59 255.76 213.24 369.2 412.33 118.52 181.68 2115.1 1338.51 4311.4 5553.9 3020.91 3132.5 2058.62 3040.99 1033.33 7138.95 4067.98 3409.89 3019.91 3571.48 3929.96 5756.54 984.75 1308.69 1255.7 2857.51 852.35 3034.49 3842.3 3616.25 3048.76 1491.31 2476.63 3803.88 4575.57 4014.99 2489.96 3752.26 2988.47 3597.4 3737.7 3901.08 Leu-Phe-Asn-Asp 44990.91 22777.02 15772.1 10629.44 13058.66 18156.77 3150.38 39452.47 49203.35 10356.88 16565.17 2910.25 14658.83 41738.93 34855.41 28685.18 1441.45 3819.87 6444.94 21606.92 18161.76 9265.06 22547.43 28353.37 1789.85 2304.29 2111.89 22095.03 4094.94 1900.72 1821.78 3414.2 2926.52 7313.83 12484.04 13720.96 44429.92 12786.89 25835.31 2253.1 3302.1 44969.08 30164.59 48698.38 18819.86 18359.25 12905.52 9721.14 43483.37 36403.94 68162.03 32982.95 25395.09 8123.32 46985.45 30704.39 8894.91 1904.94 14341.66 4789.05 23205.12 21130.86 49647.14 30406.28 9832.53 36581.83 39809.14 23335.46 30645.18 41695.28 63484.34 23162.76 55519.43 23433.51 15063.06 28603.09 28957.02 25495.92 31708.66 28967.68 27530.53 29212.67 28293.49 27175.48 Thr-Val-Thr-Phe-Tyr 463.66 376.18 538.93 540.06 417.37 452.44 490.39 665.45 788.53 393.84 235.85 493.19 455 405.67 847.33 268.12 523.52 449.99 378.91 626.6 353.42 938.03 259.13 437.38 1003.6 489.07 474 532.84 406.26 396.85 798.84 495.34 371.96 951.34 437.24 577.24 991.87 502.84 754.88 550.39 726.86 1037.53 532.46 401.87 377.06 523 776.77 375.2 436.35 391.41 402.31 351.88 361.76 791.58 494.99 372.06 583.27 757.6 514.44 352.53 604.43 436.56 330.83 832.8 568.5 927.7 463.11 424.16 419.07 706.45 496.02 462.2 406.81 372.94 270.12 23974.58 9870.34 13936.87 43341.15 14570.83 12359.72 20638.82 9187.79 7929.4 16391.99 6868.83 13941.01 8207.56 7977.2 6067.87 7284.54 16854.73 15922.28 11959.36 13460.43 23023.01 14088.54 9267.18 13900.6 9626.42 822.98 1036.94 1074.73 643.47 1254.08 1038.61 1021.33 918.69 1006.51 Ile-Glu-Val-Asp-Leu 4346.37 4817.9 2467.79 3959.28 11148.75 9863.05 7404.08 6658.27 9087.85 6980.56 4701.14 2185.61 1214.13 923.35 630.32 6926.96 2564.69 1891.7 1584.46 11171.24 7790.31 4477.64 4129.17 1714.57 2511.77 2835.6 7123.47 4289.01 6183.26 1612.52 4350.79 8479.72 575.32 3719.18 579.45 2810.82 2335.78 4212.76 1203.34 3340.98 11727.33 3399.78 1727.05 2010.72 9239.16 927.93 647.31 545.94 679.8 4399.47 4862.86 3441.12 2563.76 568.14 3924.1 3842.79 1925.19 592.71 4228.61 5527.45 1001.55 506.67 1963.72 2372.38 2262.99 4166.26 4673.93 2175.6 2535.63 630.67 3090.63 3442.69 5342.12 2513.83 2002.33 4042.77 3970.67 1837.74 5053.84 4004.83 3643.42 3922.75 3784.43 3565.62 Leu-Ser-Leu-Pro-Glu 862.5 17402.24 18269.26 19375.79 3627.74 20690.38 7973.58 3131.95 2860.56 7596.45 1100.37 1944.37 14454.59 9115.73 23713.96 28375.66 21985.46 25799.63 23983.18 26010.65 1205.64 21725.64 6068.76 7681.69 6255.34 20190.86 1237.46 1150.6 29125.86 8165.68 864.13 13078.5 13022.36 3224.9 13900.72 542.68 7132.53 13402.47 3733.52 510.87 14348.39 453.43 15650.88 15993.06 8450.25 5456.52 30791.16 20245.82 6604.25 26020.64 865.78 18387.34 25227.75 29678.82 3305.22 28834.36 7957.5 17582.5 11350.59 25388.9 6060.29 4294.18 8483 27163.26 19252.23 1186.06 5094.25 8108.21 10475.91 5739.58 4206.24 652.51 750.62 31442.93 13374.73 14589.92 14462.12 14454.34 14690.35 15197.6 14450.58 14452.68 14687.71 14683.98 Leu-Arg-Asp-Leu-Tyr 874.57 545.66 5842.96 4149.52 4952.81 2423.17 2380.74 6286.77 5933.92 411.55 3375.91 2972.21 21709.52 863.46 6555.62 1411.82 851.48 2440.81 6367.71 5801.57 8142.36 2386.8 3916.2 4631.66 5120.79 933.59 5940.29 832.13 489.45 1692.4 986.34 2108.42 1211.57 6223.8 3696.95 5054.78 2568.91 2575.45 5513.21 4354.69 1036.46 3874.75 5233.49 1375.09 1166.91 3645.18 4366.29 8765.22 6048.94 5522.42 5541.21 11399.95 12309.13 6710.54 1747.78 1867.21 9713.5 1359.84 1818.43 1398.84 5426.18 13627.01 2994.42 7990.46 2554.45 4054.41 895.08 4270.02 2435.69 6538.85 1444.45 2754.85 4048.52 1217.46 7825.38 5436.75 5562.74 5470.3 4783.89 5568.3 5331.59 5302.31 5515.17 5271.04 Ile-Lys-Gly-Lys-Leu 2948.89 891.67 772.8 7832.37 2026.69 752.98 2854.92 671.15 547.88 971.32 2246.66 1085.66 590.22 173.28 360.9 5253.66 212.2 1104.78 663.3 740.42 189.6 587.7 835.44 1177.56 532.65 360.85 286.54 1193.18 181.26 2586.01 589.34 3258.94 487.17 2194.28 1966.14 232.18 383.08 504.1 660.63 602.62 3972.19 2678.08 1380.63 417.63 1219.19 9380.09 337.22 885.86 705.92 773.38 260.46 634.93 538.23 2759.92 339.19 1166.29 863.61 496.95 807.94 274.61 257.08 498.24 1212.56 1234.82 991.55 3957.21 1034 248.12 1651.43 536.23 1081.13 1253.2 317.06 3641.05 1424.15 2694.91 3050.61 2594.93 2471.11 2484.99 2778.5 2703.4 2716.52 2558.66 Val-Leu-Lys-Asp-Ser 5832.91 5456.98 3281.75 1887.11 8290.99 7835.05 7307.29 3681.62 8148.36 6410.96 3141.99 539.37 620.96 1996.53 2827.83 1205.49 470.72 5751.27 3835.98 1098.94 5122.35 1739.13 1170.05 3946.38 6446.63 7026.1 5241.83 565.57 399.97 480.97 8564.83 4165.78 2251.8 8263.6 3460.09 548.36 5325.48 5204.37 5660 3512.88 11506.87 7756.34 3271.53 2582.14 8132.36 4500.11 1319.54 740.31 732.72 1327.26 5836.45 6696.38 3707.14 1048.55 3258.85 5735.23 2128.23 2211.05 4708.59 3093.29 3459.83 4944.25 5652.48 2253.43 3199 5325.16 9429.25 3363.03 2834.46 4229.96 4407.32 6680.94 3151.7 3446.49 2670.01 5397.5 5198.6 5184.78 5582.36 5108.49 5542.1 5213.88 5396.06 5392.32 Lys-Ala-Leu-Glu 2203.69 1384.56 996.93 1017.59 831.31 123986.08 28997.98 3375.82 2870.4 2065.5 1365.83 329.6 877.82 2183.13 1109.86 1346.37 764.11 965.44 1189.46 665.51 3087.79 959.52 1252.52 369.93 2328.33 1720.42 1431.58 923.85 3438.35 1111.58 530.44 51520.88 1741.11 1192.04 1927.61 3657.76 1566.34 2294.86 2030.42 865.96 7737.12 3635.87 855.36 1328.39 3076.2 3003.11 3641.14 1711.87 2113.95 2556.24 1072.6 921.84 1186.1 1242.39 946.58 456.5 517.58 555.94 1880.09 350.81 531.95 1346.12 419.81 734.4 1061 2062.33 1692.04 2535.97 1672.9 465.06 1658.96 1591.09 1311.15 832.26 1236.37 7282.27 5834.33 7762.32 8578.1 8142.65 2071.72 3658.08 12937.67 2310.76 2114.97 2855.54 3426.51 6425.22 11181.95 1931.46 7031.68 4585.56 9789.83 8249.09 3784.9 2262.05 1855.3 6110.01 7423.96 10089.42 5849.83 5639.69 5615.24 5096.47 5630.46 5667.99 5623.48 6244.67 5613.85 Thr-Val-Leu-Thr-Ser 4890.69 11885.29 11612.95 13265.96 17736.09 15112.53 14194.74 11885.59 8903.7 7597.56 15991.23 10342.21 12811.75 8708.54 6233.3 17386.04 4004.43 6800.31 27278.86 11747.94 10920.01 4665.31 6748.72 7990.47 6273.78 8567.54 5065.27 6342.51 22303.62 3664.59 16587.79 38662.01 2181.83 13587.23 10786.05 18283.84 8219.67 1971.46 10439.48 9781.23 9320.19 8250.65 6146.9 7155.79 13030.76 6806.2 4517.92 6241.77 10088.91 33612.91 10810.26 7376.52 4855.38 17694.29 7188.61 4477.09 6648.28 6619.7 8676.42 2696.4 5262.32 2771.85 3288.05 14514.42 12245.12 5421.76 810.91 6628.95 7199.75 10597.5 4549.63 8170.22 13976.67 14187.39 12353.22 11242.62 11359.52 10636.97 11764.93 10638.72 10261.41 11049.96 11222.79 10506.98 Lys-Met-Val-Ser-Arg 42949.42 12871.42 14468.97 3427.18 10715.59 11549.36 672.76 56146.62 43977.14 70767.53 8767.33 31588.51 12244 107469.97 61672.72 13453.05 4787.95 190966.89 123608.42 26376.83 71039.65 56055.23 40383.02 47451.31 128848.21 40822.42 11860.87 47218.82 73407.99 58879.72 33294.25 142202.4 49885.71 43902.64 13708.11 113211.07 75903.16 14439.37 37090.08 10507.18 9195.38 58578.05 44840.87 37435.67 122939.71 22688.7 48030.86 40393.58 49244.22 52982.17 109204.91 60157.07 46513.32 14154.55 73615.29 43913.35 9061.37 18551.95 95583.6 13168.55 16958.35 13769.72 65587.32 39083.16 40263.2 56907.08 26046.29 34239.67 17646.45 89061.03 13097.54 46385.67 35521.62 7667.35 6786.85 40886.82 40783.34 40370.14 40018.56 39018.99 40354.63 40254.13 40020.54 40363.1 Ala-His-Thr-Lys 39961.66 22767.9 7911.72 12018.97 94205.76 33924.69 34779.89 58838.12 50942.1 33737.42 19285.33 52683.03 22518.47 23738.4 44095.41 53263.04 18930.49 43624.28 62834.09 35573.57 65979.19 10718.09 8925.22 25310.28 58213.76 56080.64 16051.88 16791.57 64964.77 34035.06 55725.86 86777.42 29100.1 14420.4 16570.31 63279.54 48194.72 18147.08 8161.51 20191.43 44693.23 85509.41 21604.4 15845.44 75265.93 23377.16 51237.17 31062.41 37865.25 80307.37 39441.18 35068.58 36510.89 20058.04 45035.75 27216.65 1149.42 6201.46 63563.52 11101.96 12722.85 11776.93 28568.08 24062.14 16868.24 53374.63 103825.22 39416.25 30689.2 48821.98 27640.88 31553.68 25956.44 23380.2 21210.34 5152.53 6999.54 4603.07 4586.37 4627.56 5133.43 4328.49 4819.65 5210.37 4630.7 3250.33 4922.11 5069.37 5221.67 5152.66 2839.15 6781.08 4905.12 4850.67 5325.09 5116.82 4687.8 5553.07 5323.69 5453.86 37881.5 39145.51 37587.65 37586.6 38065.52 38124.13 38170.96 37998.5 37587.73 Phe-Asp-Gly-Gly-Val 2403.58 776.74 729.84 1373.81 607.36 2944.88 335.81 3530.04 2415.59 4062.18 1767.1 4296.12 430.82 2234.6 1384.9 6203.07 755.66 1387.24 2558.72 3658.48 6816.03 809.11 1071.07 1244.19 1944.67 1399.23 1855.05 681.56 9174.45 940.59 1065.32 6204.56 429.77 2140.75 509.58 3326.27 3866.88 882.06 1276.05 1825.46 2954.18 5164.51 3955.12 1379.21 3612.45 2889.92 7404.92 2559.05 2055.36 5363.3 5932.48 1705.48 1787.33 390.6 4788.19 1611.34 475.3 1676.87 1179.56 604.67 1104.28 1632.19 3991.9 1230.55 521.3 4183.91 7413.48 2349.62 1020.23 456.51 3694.63 3926.32 4400 1961.49 1700.99 3704.68 3651.45 3677.88 3402.5 3466.37 3837.19 3535.58 3456.26 2437.53 Ile-Glu-Tyr-Cys-Lys 2463.47 794.75 3022.17 956.79 8434.83 7387.24 2200.85 8575.82 9281.78 16069.54 3574.15 6597.97 2524.49 1256.82 5000.41 6648.17 51044.97 2433.68 8107.68 8835.43 987.49 7796.05 4859.47 3298.95 5893.87 9271.79 4855.98 2018.56 3040.7 5925.53 7391.45 11819.5 40064.46 6668.65 8918.56 15409.44 15705.96 3924.65 2393.8 2831.44 14137.84 16513.16 5517.53 3996.24 30705 1117.72 6735.38 4226.42 19244.86 23201.52 16545.46 12359.55 1603.92 836.23 9901.1 1206.71 4565.3 3111.79 6575.4 3321.48 4215.12 2034.54 4355.81 8199.27 4418.45 19486.88 5024 5624.2 5064.8 11424.92 5885.74 13825.94 5929.43 4125.81 1353.8 6680.38 7023.35 6689.43 7941.2 7298.53 7467.89 7252.47 7388.29 5101.65 Ile-Lys-Arg-Asp-Phe 1477.87 932.91 3102.29 948.04 1322.7 574.53 824.52 1126.98 2216.21 808.8 844.25 788.48 1708.08 1051.26 2771.61 2062.06 472.27 2029.65 1213.02 416.14 1088.29 1589.79 1315.84 1077.7 697.94 786.22 492.95 955.38 1785.08 854.82 505.74 2238.58 2543.05 7543.22 4049.79 2833.3 994.84 711.96 744.06 1845.02 2110.81 1783.97 835.63 1106.6 2051.62 2992.61 737.66 4106.72 1714.28 1351.71 1092.43 1876.62 8954.83 4970.17 4306.55 1650.72 2068.97 1073.29 2040.34 921.11 5680.41 2779.07 3362.58 5530.77 3101.9 943.19 835.7 2648.83 1683.82 3820.68 544.69 3131.04 1981.91 2508.15 3689 2800.03 2805.15 2783.99 2856.49 1932.73 2795.09 2619.29 2926.32 2532.57 Asn-Abu-OH 8235.38 3223.84 781.82 18275.16 1763.79 2510.3 5434.38 9689.58 10683.77 9525.25 6823.76 8259.71 3961.49 6495.4 6734.23 2454.02 5018.54 6806.85 9372.99 5049.3 9624.43 2312.55 966.35 7647.76 18982.61 7521.11 7822.67 7400.35 7844.87 6122.53 8032.95 10189.6 3874.83 15930.62 2727.79 10864.44 9465.05 4003.92 5683.16 4415.52 8695.47 8682.57 3918.88 2809.16 8334.52 5422.36 5788.32 4686.87 7095.83 8354.75 7914.34 10858.05 2819.87 4287.34 9798.91 3522.66 1504.58 1364.39 9634.39 2527.3 4717.95 6516.81 7276.88 2828.26 1789.53 6806.41 10638.87 2261.35 9194.75 3421.39 7548.81 2975.14 6526.96 2291.8 2966.01 6371.41 6833.83 6422.23 6154.32 5856.5 5767.49 6453.34 6547.78 5994.81 Leu-Ser-Ala-Leu-Glu 2053.44 1769.88 2512.13 760.88 650.15 10266.13 2096.02 1145.73 3849.56 744.5 1586.6 1930.98 4999.9 908.33 807.07 5605.48 923.91 2512.85 1799.52 1814.37 1476.76 2896.43 2164.26 3240.5 1264.87 7336.75 781.31 2628.18 3405.64 2084.15 678.02 2732.67 737.91 6606.26 2813.31 1617.52 2454.49 6785.95 895.69 2495.77 1617.89 2002.07 6728.03 2580.71 1080.55 1365.5 3720.2 2681.43 2321.87 815.84 1002.87 6234.68 4364.09 3542.86 1239.44 5810.84 3307.43 3667.4 2449.18 10431.84 1090.35 932.49 2045.4 4917.23 2543.74 2828.7 1816.44 663.86 2139.02 674.48 1064.14 2929.01 2754.27 7132.91 4458.6 2038.78 2044.12 1941.18 1947.79 2039.01 1943.98 2053.14 1532.62 2047.21 Tyr-Asn-Val-Lys 3407.56 8998.66 10446.58 11386.8 12760.26 115487.92 55934.44 8447.55 2754.91 5237.27 17658.59 3799.77 4088.81 11398.43 10086.44 6433.89 5221.88 2445.65 16691.7 10938.85 6219.03 35677.39 6057.17 6759.59 7361.79 8337.52 2246.91 761.66 8554.51 2947.95 18406.95 2540.48 6659.25 17077.16 25288.42 9983.15 12482.1 21349.56 14274.28 15286.5 9320.72 13758.22 20794.93 13641.56 24573 14724.26 24249.18 18693.52 11366.11 30628.35 16265.36 22885.21 13603.96 11734.27 13836.27 39015.67 23327.24 15766.56 19293.83 62338.07 11321.76 7973.86 20121 18035.81 13547.51 15960.17 26947 9512.84 8583.62 15946.28 10686.3 22943.41 10283.44 29699.42 22711.9 19212.08 19877.89 19260.97 18635.72 18888.69 17579.25 18614.44 21819.66 19005.27 PGF2 dimethyl amine 6071.97 7962.05 8649.82 1205.12 745.37 821.88 740 4850.03 4836.25 9644.09 1432.94 1141.14 1176.32 723.92 9904.65 6912.66 13857.75 1980.72 7937.98 1137.48 7040.08 9023.97 8083.82 10590.45 9244.52 2245.02 10496.55 11549.23 5167.43 11295.04 3822.53 3076.75 658.25 4897.45 12013.44 10357.87 8184.87 7510.65 11241.38 15122.2 1288.55 3083.74 12002.94 14491.6 5390.2 3434.11 6451.91 8092.08 5624.88 2431.58 6009.04 6984.01 9847.55 7052.63 8354.96 8587.86 8090.1 11794.11 7992.8 10787.32 11647.31 14397.39 10185.37 9585.72 10318.13 7592.11 3703.54 11639.94 13948.8 9908.81 7669.14 7281.87 4634.55 1294.08 7870.74 5852.2 5853.62 6073.24 4917.31 6408.81 5816.79 6068.07 6073.12 6010.08 Diacetyl-8-gingerdiol 27569.49 15782.19 4304.22 3322.97 15752.8 16041.29 9032.43 11468.92 9876.27 5977.18 1825.79 3906.26 4054.94 8301.33 21726.56 5874.84 2350.56 7633.5 5163.61 8774.74 10074.89 9455.21 3424.46 3137.87 10817.1 9185.38 3335.63 7867.12 15165.32 5410.05 6852.12 2143.34 4639.9 5914.38 3807.47 7296.89 9586.63 8349.77 3903.76 4511.14 6994.28 11794.15 6420.82 14421.29 12530.67 5278.81 20223.45 3084.76 2687.46 4020.26 9434.54 7839.16 6485.02 8773.05 8462.37 14747.54 7067.08 2394 5311.18 8216.07 15990.5 5526.01 15709.15 6349.32 2224.17 11520.81 11448.51 2721.89 9157.03 15722.18 7869.08 5713.46 6319.6 9853.66 8360.39 6058.87 8866.75 8448.66 9483.3 8404.33 8254.38 8231.19 8833.2 8318.15 TyrMe-His-OH 2463.56 5016.57 3376.79 4251.19 12061.26 985.56 2941.07 5813.53 994.57 403.35 3240.69 13756.13 9180.01 1321.77 12091.32 5594.82 597.73 20575.6 6860.78 7404.89 9131.66 2296.11 2736.22 490.73 5024.48 685.25 877.39 3228.56 13803.17 6589.25 9865.05 9268.59 496.2 675.07 1612.53 9056.24 7020.35 1184.84 3575.24 7865.88 19356.94 14436.15 5141.02 5308.08 8671.04 10730.03 8780.12 5259.52 550.08 10735.22 4383.71 4724.57 8463.6 10890.41 9616.07 9854.4 3999.22 2976.61 3440.29 4092.15 1997.32 11435.35 2591.89 2431.89 6970.37 16017.62 3849.25 9599.35 4073.67 1005.02 3077.78 5609.36 3011.82 5319.47 2456.87 6875.61 6745.78 6885.57 6859.89 6748.2 6838.28 6952.43 6650.17 6212.94 Ile-Phe-Thr-Asp-Gln 1868.74 110330.21 107188.08 4199.45 10897.72 143371.17 6548.28 228842.64 231738.98 205357.28 214913.06 161773.46 124816.08 181854.46 1957.15 200949.34 72814.48 1938.05 404413.42 174509.41 196885.29 83739.83 162679.29 211440.32 185489.72 128414.62 163099.07 210718.78 171092 142316.98 3772.67 327313.91 85144.35 157394.72 187925.09 153653.47 218898.75 61406.13 184055.67 280955.37 91392.53 195710.34 249943.96 144383.22 239466.39 86039.18 128966.08 263395.75 176495.7 354088.03 85176.88 135118.76 234015.39 104637.79 52859.02 94901.64 70299.25 106925.34 106393.54 3115.21 155549.95 145774.39 60115.69 209867.57 160181.69 104947 229111.78 207581.77 187465.26 125386.17 128522.73 231565.2 270057.47 169707.91 129174.89 166738.04 166319.19 170171.62 170246.36 170197.36 170189.38 169765.87 166265.65 170182.39 Pro-Pro-Asp 5252.03 3167.66 6105.81 5289.53 2548.9 1044.24 7146.55 4353.92 5170.41 7426.56 6962.5 6280.34 543.16 6621.12 5733.72 6436.42 6825.08 1553.11 3806.04 7154.46 4241.42 6356.36 6647.32 5054.87 4587.24 2843.25 8095.48 9554.38 5553.93 3963.65 2001.53 2260.22 1833.34 7708.29 9315.21 7067.51 3807.85 5532.89 7646.24 7601.9 3439.14 3753.62 7135.47 6563.49 5493.64 2550.8 2912.56 6306.71 4792.81 1727.54 3441.17 7005.16 6357.14 7477.01 7653 7497.21 8138.41 7559.14 3398.94 6485.66 7033.86 7572.61 8201.82 6711.48 5934.51 5995.83 7476.45 7111.31 5854.32 2857.44 4867.17 6187.54 6768.45 7326.75 4917.37 4918.46 4018.98 4499.95 4701.24 4421.37 4754.23 4685.53 4645.7 4583.18 4997.85 3257.61 4469.35 4699.76 4494.7 4338.1 3401.65 4982.2 4536.28 4969.64 4553.08 4849.42 5053.72 4668.04 5144.02 4559.34 5832.96 5541.3 5826.74 5647.52 5930.22 5838.44 5632.31 5576.67 5819.44 Asp-Ser-Val-Ile-Ser 7435.19 2547.67 2007.18 6770.88 1485.33 2447.67 3435.16 9661.48 11418.57 5370.72 1308.38 18266.36 2109.16 3156.24 6145.02 2183.7 17265.6 4034.78 3822.4 7062.23 12235.96 1912.61 2871.81 3802.65 7129.08 1826.5 803.05 4458.96 12100.68 774.3 3007.67 3472.36 1940.01 3863.87 4759.24 7750.74 2962.98 6708.16 3860.87 3143.28 8386.76 15861.23 1920.33 2189.93 5740.5 12956.03 4294.44 3626.25 7764.26 10432.52 12029.22 5897.32 7181.59 12428.97 10177.56 3195.78 6062.63 3977.25 9656.01 674.43 2895.5 5505.01 6973.82 5055.88 295.18 10863.24 995.37 4033.89 2816.06 2688.59 3043.93 2529.4 1892.6 3567.93 8329.61 7089.76 6761.03 7101.02 7479.14 8485.51 7520.92 7458.07 6165.64 7475.31 Ile-Arg-Lys-Arg 1514.9 3075.62 2202.35 1562.06 2013.29 1884.59 3237.31 2649.25 3479.38 2280.83 5769.24 1448.05 3054.13 1882.82 988.06 2505.42 3502.88 10655.58 7212.59 3832.51 2503.93 2259.27 5094.78 9536.1 2094.96 1220.95 2407.38 1870.6 2859.46 5023.97 3321.13 7945.26 1247.91 2596.38 3618.83 5093.94 4196.4 3532.35 4381.84 2476.04 959.14 4897.33 5406.42 5817.81 10373.65 4450.37 5294.37 4870.76 102012.91 16599.35 5182.54 14974.08 12657.32 4468.78 7931.62 5841.56 2871.61 6150.68 1550.85 3694.04 2117.36 6857.54 7173.34 11121.04 6921.55 6351.05 5026.94 4194.39 5674.99 6021.69 1943.94 4626.67 29269.88 84275.67 15859.06 6010.66 6121.55 5335.48 6440.51 5749.05 7170.27 6081.16 6154.7 5821.54 DHOAA(AcO)-Val-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe 1951.39 543.38 445.97 469.32 1777.49 2141.74 3882.17 8024.84 2094.16 552.57 2520.74 1384.29 521.78 411.76 3915.6 671.82 1015.05 1191.47 4039.18 1058.74 3370.27 3576.46 1563.49 2314.5 2836.55 3998.89 875.59 598.98 3008.02 1934.67 3188.73 6756.69 2321.89 3634.19 1516.51 3234.48 501.46 1456.78 3423.46 2534.3 1502.22 660.86 3887.67 3932.45 6695.97 1518.43 4784.58 3043.6 14006.08 6711.22 7059.42 877.62 3634.04 3620.09 3640.92 2290.11 3316.84 3888.61 2167.22 1054.6 434.09 1796.2 624.6 3390.15 2660.51 825.55 533.72 2069.05 1696.91 546.37 2084.57 433.27 6858.75 33950.04 11978.74 4187.86 3585.58 3844.37 3171.85 4090.98 3103.24 2744.6 4156.45 2629.73 Lys-Arg-His-Asp 728.65 7586.34 2792.95 2978.28 3109.08 5237.55 432.89 1505.57 1212.72 3365.62 2065.93 3131.74 4324.84 7905.22 2173.39 4860.05 794.46 1935.46 10992.73 9388.96 484.24 704.44 1883.86 4130.69 651.55 5655.96 3418.74 2360.13 4717.81 2099.71 541.5 620.75 5403.57 5911.95 10839.2 3285.48 2688.11 1587.81 2763.3 3520.75 2619.08 1948.09 2431.56 2570.93 4357.32 10653.24 8482.81 4461.76 2054.71 7380.02 2691.2 10552.62 4419.92 585.78 3017.06 1756.49 3655.36 1214 5640.5 3127.48 6650.91 9382.91 3544.04 1675.08 3153.36 3146.42 6105.01 3362.67 3306.3 1181.03 3578.54 3175.78 2619.32 1404.25 3776.44 4343.33 5673.8 3382.03 4424.65 3274.78 3435.95 3143.81 3763.1 3373.05 3393.32 2863.29 3629.72 3491.4 3289.13 3304.8 2483.99 3762.93 3526.4 3509.07 3278.99 3424.83 3126.41 3244.18 3727.23 3194.85 3961.92 3813.03 3428.06 3683.5 3809.43 3683.52 3810.92 3817.41 3706.54 Oleyloxyethyl Phosphorylcholine 8403.9 9267.45 5834.92 6413.1 18473.66 21662.49 1462.7 16337.22 13304.27 731.42 9788.8 15239.58 12742.4 16337.39 7612.47 9975.01 3868.08 23908.15 19985.6 28638.12 23257.92 7951.43 9865.5 4304.61 12286.66 12421.13 5541.27 8898.08 30509.64 11472.12 23414.73 33301.56 3399.01 14032.52 5720.45 18011.9 4781.63 9714.26 6953.43 4944 11823.47 13936.34 8055.99 7111.85 20939.36 3470.43 52058.45 10756.45 14406.59 25599.82 14826.62 11438.04 8864.39 17012.83 9894.93 12687.19 1629 4083.56 10324.91 3565.79 1781.19 5156.69 8911.35 8498.89 6558.26 13387.47 23161.01 7463.88 5096.51 10492.67 8808.82 10836.84 9894.3 8114.91 12399.14 12129.26 12943.49 13109.61 12530.31 12605.51 12593.34 12950 12815.38 12600.2 Boc-Pro-Phe(NMe)-Gly-OMe 52033.31 31319.46 6647.25 2766.67 60676.22 38543.63 8448.05 77300.44 81461.66 54099.82 21932.82 44244.78 2878.12 23191.34 65758.74 53222.4 11955.11 66623.72 74353.45 110375.38 82720.3 43095.5 20585.79 21909.24 73916.8 41350.44 22227.37 6440.33 116799.91 30826.12 60521.49 116743.33 39298.42 21855.89 18761.34 53286.11 50535.61 24431.37 9447.01 19505.12 26644.91 75133 35906.11 12135.32 84431.28 8050.08 69830.39 41843.76 55621.9 60663.09 55850.26 46495.67 21947.9 6782.44 46895.86 45112.09 7292.11 7048.23 57711.18 13588.41 18006.3 7171.25 48957.25 35652.84 24741.72 61977.52 73790.17 23142.26 25091.06 55625.23 50283.89 47344.55 35385.61 23256.1 21573.12 46934.08 47152.96 47429.17 47395.67 47079.57 51403.44 46956.21 46945.73 47700.6 Pro-Lys-Ile-Val-Lys 21869.64 40367.68 16536.14 10203.04 20982.4 76390.78 18304.64 930.37 10905.5 10676.13 699.59 17050.74 5279.84 12363.98 20682.76 14777.46 5275.03 20204.67 9421.79 28868.45 14736.4 8207.96 12863.38 2854.99 4953.4 36522.79 10580.07 13487.01 21139.55 23613.22 23126.27 21042.31 2900.58 6170.54 9394.51 15180.21 11362.63 27418.44 21751.31 44596.29 42681.17 4161.59 15757.8 2094.58 32465.06 19141.13 6067.18 1877.74 15747.54 97619.66 23893.47 27927.32 16180.58 5041.44 9454.41 34383.3 16316.48 879.63 5218.99 28091.45 2064.17 13703.26 4672.39 13282.37 6357.65 17946.99 69150.73 18451.28 1645.41 69167.72 13917.41 37024.05 14453.53 2359.24 15494.19 7298.9 10282.72 6479.69 10664.96 10157.98 5568.37 9737.89 11267.08 7419.26 Lys-Ser-Thr-Leu-Thr 9854.46 4186.89 2947.07 518.98 6511.13 1610.7 3075.22 11929.3 6960.99 5690.3 848.81 11036.92 2680.78 5390.05 7981.75 1678.29 3173.98 55812.81 6465.26 1281.11 646.01 6815.12 2378.38 1853.4 4811.12 3664.98 1525.6 2272.41 15279.04 10730.7 1598.59 154086.63 1249.88 764.15 5771.58 14151.91 4226.35 1384.14 2475.38 2968.53 3139.28 12525.46 895.39 1805.28 14230.8 3674.91 11036.18 2060.2 5776.51 10627.49 6419.58 7753.74 3933.67 3272.97 7981.49 8796.65 1487.58 631.72 1199 4861.18 4925.49 1642.96 6934.84 3501.37 2003.21 15230.22 3817.97 1359 1476.95 11671.58 7764.7 5555.15 6562.4 2203.65 1713.95 5407.39 5901.9 3833.89 5757.37 5625.85 5751.77 5176.46 5409.88 5577.44 Isoleucylleucine 628.1 2729.39 2535.62 3917.04 997.86 1798.95 6127.86 1965.49 1435.72 2678.62 3818.44 892.95 2479.91 2022.55 6050.93 1608.28 4204.39 2174.98 5713.12 1326.26 2961.71 719.86 5554.61 5125.39 1106.18 5353.86 5635.75 5724.15 2412.29 740.96 2283.79 3941.23 848.61 7355.37 5220.04 2670.59 984.88 4850.95 6645.56 4319.07 1524.85 3647.11 4167.52 3321.19 1755.29 3473.41 4446.89 6571.73 3672.29 6485.88 2787.46 6908.89 3006.43 7110.42 2207.21 3052.23 3224.62 814.86 1049.31 1183.68 2432.45 2302.91 2563.88 6831.09 1770.64 985.09 5365.1 5035.65 2532.74 1905.55 1531.76 2795.74 3575.72 5560.16 4822.79 4644.74 4779.72 4494.38 4656.57 4988.68 3103.12 4667.38 4456.9 4728.23 Thr-Lys-Met-Val-Glu 19232.48 6831.42 2119.64 1658.83 27115.36 17704.27 10277.06 46891.43 45086.98 22460.74 26259.8 47647.39 11644.19 1396.73 3273.58 9439.25 3039.33 4203.37 4142.14 5550.96 59813.17 10976.86 31800.21 10356.72 5489.59 13472.62 3560.16 12106.97 2286.18 32804.57 9413.15 29028.29 6346.56 77142.59 3924.98 8986.52 1205.56 870.02 2503.69 611.64 31947.96 1293.08 2488.52 1444.09 1203.37 996 782.99 2481.62 2765.17 4119.12 2698.08 1154.71 22226.32 5204.32 1883.4 1350.46 1748.82 1442.53 1018.65 3259.71 731.03 1318.66 3519.06 881.19 688.44 1085.29 50919 31120.6 2288.2 10546.49 512.9 1057.35 1607.15 474.46 74491.34 2665.01 4643.58 4709.39 4560.46 4031.54 4403.38 5815.24 4062.68 4781.96 Stigmasta-4,22-dien-3-one 251021.52 367203.85 633247.5 670934.67 397480.83 595817.12 266834.65 286577.64 409155.83 206063.33 115055.49 112264.74 153257.7 180074.24 269203.36 543152.35 215297.67 224318.2 615101.71 528413.78 388163.79 252824.83 180982.77 241085.01 306687.83 398495.41 199013.21 395270.19 528085.94 459892.69 280944.08 228523.25 179755.86 403073.27 438812.14 302846.6 260851.6 74052.35 229943.94 234233.08 316107.15 338207.32 434444.14 200341.55 357859.22 186355.28 437966.3 625626.37 325186.21 370588.83 152076.44 206753.32 428133.7 348579.48 231333.89 318235.43 407493.13 259254.13 127768.08 226380.56 249896.01 109142.72 407748.68 651038.67 349695.14 339841.92 209308.34 320109.07 185043.51 311287.99 212295.36 326937.49 165641 360910.11 441253.88 311316.31 311332.38 317698.64 305980.79 314532.48 314044.43 315380.09 314305.17 311314.81 Lys-Asp-Leu-Glu 1127.32 5010.92 3855.3 1886.83 12141.51 13160 2399.46 5657.33 1387 4174.1 3788.74 12133.51 1909.12 5167.58 1517.44 2523.88 1951.87 13918.13 7648.12 12111.89 11826.3 5466.27 4310.28 3216.91 3475.84 6615.99 1264.49 608.63 13412 10957.13 15023.89 23052.22 4205.19 2735.79 5379.12 4258.33 3759.78 4533.32 1033.44 805.1 10104.06 18921.92 2085.12 2655.17 5390.07 6819.94 9175.6 3403.72 3523.16 7534.27 7795.47 1918.98 2939.19 2302.16 7461.98 5330.98 2032.2 832.12 7645.43 1433.28 1706.87 1736.45 3090.92 5455.07 1491.89 2455.34 7513.12 1037.07 3085.56 3672.57 3205.77 4800.98 2185.61 2331.76 1215.77 4448.38 5693.76 5033.55 4597.3 5212.27 4600.69 1890.77 4678.3 5054.8 Pregnan-20-one,17-(acetyloxy)-3-hydroxy-6-methyl-,(3b,5b,6a)- 27345.16 22113.73 42313.64 24862.91 105357.87 58313.93 1705.99 58263.42 36736.58 22994.91 1722.12 7204.18 27664.35 24082.94 31921.5 43884.86 27636.44 2085.05 1700.36 39322.11 45816.02 1118.05 32743.72 26207.94 45070.36 29174.79 1769.64 24222.23 51743.56 151497.69 27200.34 70570.17 32163.67 40458.49 26470.56 44574.12 34479.28 9792.43 30586.48 16237.84 32927.78 39382.16 30617.74 10592.22 22745.84 30513.51 35650.01 34084.22 24079.95 46377.04 28966.95 29285.93 51074.77 35853.63 37794.49 8681.41 21798.61 17241.66 47235.69 9629.6 29384.16 24582.4 28579.58 48096.2 26539.09 25227.59 1835.61 23802.84 18516.86 47032.56 10316.88 26488.71 38707.04 28022.72 35044.05 32138.84 31921.67 31926 31188.41 32390.44 31909.85 31710.8 31200.78 26990.35 Ala-Gly-Leu-Val-Ser 24572.34 15683.26 5142.61 8351.37 3040.67 1096.49 10071.61 12788.89 5671.31 957.36 11645.19 11450.77 18326.98 12419.01 24810.8 1379.25 683.02 19698.12 3325.83 18507.81 1641.9 587.87 1634.17 8171.73 14507.95 10834.64 7298.73 16386.8 1349.6 5195.88 2473.28 1839.17 10608.72 5926.23 3854.64 12769.7 13098.44 3423.47 4425.79 3225.16 15188.36 21390.17 13700.12 17479.95 10213.8 6184.96 20925.13 10250.12 5961.85 7713.52 17954.04 13808.9 13234.06 10755.57 18146.48 12241.29 13697.62 8695.2 8558.31 14251.07 12532.5 6249.62 19946.56 4816.77 4212.24 21571.58 12049.04 7445.32 11894.5 13505.49 8242.13 2649.37 10056.18 10418.64 9217.44 9332.05 10154.36 9663.42 7814.59 9289.46 9538.75 9531.34 9620.75 9697.27 Arg-Glu-Lys-Asp-Lys 31491.88 37164.37 16933.44 21729.76 43863.23 53124.76 40855.22 37963.82 50987.69 39036.6 20555.22 4971.26 1662.94 9207.04 36551.29 32486.28 26102.35 34018.97 31300.19 53611.24 38724.59 26955.98 26235.1 25103.01 37419.43 42250.22 30214.23 29783.28 10272.97 10596.55 47377.76 24608.9 24384.51 39113.27 26687.23 3066.48 37260.69 35961.68 28892.24 24390.36 66555.5 44097.45 21561.48 8328.84 48615.47 26489.85 6101.28 7435.96 4443.75 4047.49 34495.22 35501.88 13075 25281.25 27452.9 31699.72 11628.28 14942.32 24676.08 27303.03 19814.34 23494.54 30844.12 24160.02 16500.94 34532.1 52768.54 19199.06 22006.5 33800.75 31559.36 40583.3 26415.24 29097.08 26556.52 33220.77 33861.32 33138.31 32970.14 33355.03 32964.13 32796.63 32973.48 32969.01 (6E,8E,10E,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid 7165.82 8759.2 22543.11 16349.82 23629.64 11856.33 26126.9 14736.88 21034.02 21051.9 7574.65 18191.91 14217.39 12663.56 13834.12 11492.46 16086.42 4480.99 23593.02 3422.96 24225.49 1987.4 7318.09 26388.91 20967.08 7760.1 13043.08 5102.94 4302.54 21296.32 4118.06 12747.57 2191.96 19402.99 17169.47 15785.19 11549.67 13852.38 9844.08 12396.91 14387.36 9789.31 23320.98 3503.9 6050.24 6122.51 20701.27 8876.48 32608.11 14720.56 7964.8 10227.77 12762.47 12076.51 16989.27 10290.69 15641.02 8048.87 12591.65 15766.64 23006.5 9865.16 27634.27 24239.02 8334.3 12161.77 8931.83 12024.33 4944.98 26134.22 27463.83 8850.43 17930.43 16099.84 15699.5 4958.18 10262.22 11738.57 8642.55 10073.38 11205.85 10875.23 10898.52 10972.82 Lys-Tyr-Thr-Arg 9768.47 13083.23 6626.15 5419.57 1224.77 2058.8 1159.14 3780.66 18267.71 12489.74 10229.84 2228.19 842.89 552.33 14043.25 8738.22 6315.34 11177.92 11233.4 26211.68 18698.68 13299.8 9729.82 11771.15 11610.51 11964.2 11746.08 12565.47 4973.36 2644.67 20595.92 3064.97 9656.25 14066.56 8774.64 3486.64 11700.14 10046.63 9086.83 6479.22 29305.97 23298.76 7548.47 6232.55 25080.75 8793.06 6301.22 3656.59 774.09 2754.04 11826.85 12311.34 7940.18 8462.75 7970.06 12309.15 5001.88 4534.09 9375.43 9352.49 7463.74 8469.66 14860.7 7274.59 5488.73 11574.86 17020.8 6647.17 9806.8 11043.91 13127.55 15765.67 11800.89 7209.13 9441.93 9704.68 16904.26 9316.03 9873.43 9804.18 9520.79 9935.09 9167.34 9099.8 9937.83 8713.99 9309.39 9538.58 9582.78 9523.2 7270.47 9983.0 9820.43 10078.53 9635.65 10744.47 9992.97 9353.39 10053.98 9716.11 13369.72 14284.98 13342.8 15490.07 15441.92 14992.99 17058.07 15135.47 14242.99 17-phenyl trinor PGF2 cyclohexyl amide 13139.59 4083.86 8032.36 9547.76 26939.17 13023.11 1306.38 22355.45 3492.55 950.76 1043.89 24080.21 16330.35 12370.32 36975.84 16021.71 7009.36 58721.42 13434.42 14101.4 2503.33 7136.43 7798.81 3500.7 15226.54 17170.18 1121.4 7453.75 16719.4 613.97 6107.48 3846.43 5735.98 4300.84 964.09 29385.4 10489.84 15188.64 3749.71 11824.4 9192.19 32009.93 9500.59 3472 28453.72 23319.41 31326.95 24126.51 484.09 7516.16 22042.5 24914.91 19868.18 14661.1 27578.44 12925.25 349.83 7681.69 11842.84 23372.04 2259.45 26675.59 2625.52 11853.87 2597.44 75660.99 11620.56 22297.75 3122.66 12663.69 1825.84 5028.62 5794.51 1299.09 12242.33 18573.14 19821.38 22403.95 19637.13 19547.95 19424.24 18931.28 18426.85 18332 Lys-Thr-Ile-Thr-Leu 7630.29 8932.97 37183.27 42879.21 34591.77 42812.51 8566.39 33010.92 11962.53 13087.04 38491.45 14729.01 6959.83 12132.34 6840.39 12887 10546.19 16281.09 4407.71 19216.01 15740.14 7898.36 11949.42 37550.82 29148.77 30971.35 32169.13 15076.48 7736.99 31181.48 25712.68 25273.25 2465.57 38714.51 29223.11 23362.45 14793.25 25529.76 42366.53 36715.37 14081.1 30338.06 28834.38 32121.64 22591.85 30900.65 40493.05 40544.3 16865.76 7677.64 6895.02 6141.13 14792.17 7225.72 14440.13 23335.74 15891.25 5454.24 4306.82 3039.59 7365.69 18202.58 9119.39 4160.18 3802.7 8918.77 9299.84 19851.51 22016.23 2813.91 1437 3742.34 27280.98 131758.24 5752.19 6388.39 15481.68 5831.55 6109.54 6257.67 6309.89 6499.84 6129.98 6349.11 5822.72 7664.82 5707.63 6021.29 6015.59 5973.75 6940.94 6109.24 5907.24 6297.09 6281.7 6210.98 5865.85 5774.92 6016.17 6014.77 5143.17 5228.39 4477.72 3562.49 5043.34 4752.9 5280.05 4712.28 4821.25 Leu-Gly-Gly-His-Leu 19086.3 21679.82 700.22 1080.62 33461.7 39484.44 23741.58 22372.58 29218.7 24755.4 17020.13 2193.29 3990.39 4349.13 22991.41 2064.37 13802.44 8425.57 22290.37 46325.94 30299.53 21856.43 22151.94 17749.43 19519.92 22456.38 19487.12 16148.79 5921.86 3953.49 1522.54 10526.41 19480.7 27265.19 18465.62 4774.67 22810.18 23737.18 21005.97 16219.21 42821.94 5424.37 21764.52 9907.06 36080.73 10341.53 5804.29 2987.98 6295.21 2403.01 4239.11 22316.29 8316.05 18250.27 4179.97 27173.07 8927.98 12626.84 26778.6 21849.52 17546.44 16389.5 18661.11 17769.33 10737.63 3361.02 37002.64 11580.13 14729.35 22781.47 20284.44 24939.66 17169.47 10356.49 14465.4 9249.74 17967.16 18491.88 18056.89 19618.72 19226.56 22318.2 19774.22 18342.92 Ile-Gln-Ser-Glu 7647.15 8356.98 7213.88 5307.62 9591.4 12885.18 7404.29 11653.76 13871.59 7370.35 5396.02 8819.8 5343.07 5702.69 2818.5 7264.53 2252.06 864.39 5403.56 24422.66 11368.42 7330.59 5257.23 1858.88 11241.92 5763.58 5928.28 6743.45 9671.26 3982.85 16721.44 15713.73 7683.37 6703.77 5353.02 13592.22 11419.37 8341.62 4837.33 2897.39 19729.44 16435.36 5916.29 5712.15 18066.74 9820.9 13525.54 3977.02 3358.4 9223.34 6004.92 8908.6 6698.02 6377.12 6695.69 4514.49 1502.7 1962.92 7990.86 5919.49 1629.63 3667.29 4687.2 1243.75 683.18 4581.04 15839.81 5924.64 6803.75 9898.99 11159.68 6877.89 3976.22 4650.27 5158.03 8979.36 9321.88 9306.44 9284.73 9003.67 9040.68 8937.91 8927.67 9955.45 Leu-Glu-Phe-Glu 21999.82 14578.41 5764.77 11044.98 6208.87 18889.24 553.23 11859.12 13495.91 12111.78 659.26 10304.9 10846.67 16769.91 11605.04 18720.41 26322.87 19555.21 2014.91 9885.59 19270.03 14720.08 10670.63 4914.03 14046.84 4236.8 8213.5 1556.22 1954.64 7422.29 10025 4775.75 1544.63 8473.04 17238.99 17500.79 23046.33 20916.37 28621.37 16171.12 8740.6 14681.11 26009.38 11106.68 14916.47 13855.56 10546.48 17752.05 5363.83 5812.41 22979.69 7802.33 8196.85 14428.56 15472.82 9546.8 27862.48 26208.67 3937.34 9305.14 25841.32 7996.48 18523.43 25162.64 15877.95 15536.04 6340.46 13098.22 16611.02 13345.83 20117.06 23942.46 20061.36 13683.45 20408.58 13668.84 14203.64 14890.83 9922.86 13758.72 14108.46 13300.86 14216.15 14296.63 Asn-Leu-Pro-Ile-Asn 3987.39 3042.99 2147.96 641.96 1907.4 86785.31 40468.41 4424.69 5355.62 5299.26 4135.54 578.32 6159.07 2398.93 2620.89 4609.04 514.73 886.7 1473.79 1084.4 3274.71 1894.05 3652.22 2075.29 1842.98 5373.91 3798.07 2126.76 3415.37 1758.96 4499.3 70539.82 3452.55 5188.57 3230.37 6132.68 3462.81 3920.98 3569.73 3127.8 9076.62 5658.61 3256.8 2877.61 6281.23 5816.72 8337.81 4320.49 1829.58 7596.66 3715.48 1580.17 3615.24 3096.93 1027.29 2810.61 2772.93 1137.71 4473.98 4139.09 2502.75 3321.61 3369.25 4326.64 1855.13 2422.74 4471.14 2855.66 1841.15 3653 2949 3632.43 2570.17 1433.71 4674.35 9434.02 8477.24 9225.14 9260.47 9090.83 9087.01 9097.31 9087.79 9092.75 Lys-Ser-Phe-Glu 1730.11 969.94 562.46 993.86 1130.7 2070.91 1549.32 648.31 3656.35 1173.36 1592.42 2082.63 717.97 622.28 595.61 1470.78 1221.96 526.48 609.81 4966.2 802.14 836.52 1191.47 354.73 1819.95 1567.26 414.67 1933.64 1515.54 766.18 2372.06 836.27 454.28 595.44 1514.94 1928.07 2983.67 5766.9 1467.36 993.88 1843.97 3824.66 1025.61 1015.62 3819.7 1537.65 2768.98 2898.46 1459.54 2630.54 2903.63 2944.26 984.45 1563.19 2988 2284.17 527.78 711.5 1982.49 983.42 554.44 487.64 3358.84 1283.55 725.82 5201.47 6716.67 518.45 1233.66 1591.53 6148.1 1542.44 1588.07 1372.25 2103.57 2565.89 2782.88 2791.55 2364.38 2580.23 2761.29 2671.91 2759.56 2783.82 Ser-His-Val-Lys 443070.53 114501.91 28425.23 19642.75 2131801.21 224176.65 68234.76 719463.61 368863.31 333165.66 136104.2 226235.24 103407.44 180116.43 184428.05 408680.86 78659.18 546713.2 387803.3 159286.53 659663.79 202978.89 87434.21 90865.26 721871.08 461380.45 372474 109135.16 780489.33 65726.54 339241.41 2727081.99 267639.23 155779.4 124809.75 450247.13 384367.61 188244.11 6159.59 39107.23 72961.48 971170.67 111243.08 124328.28 705513.5 109112.77 181489.63 154363.64 760598.37 640518.04 496795.35 336250.68 170865.74 104467.3 709723.78 111681.8 24726.16 24475.9 1074586.65 274400.36 103651.87 129709.94 383151.29 144405.41 48183.09 701975.99 97039.53 157246.77 119847.95 283687.51 197168.79 355977.61 218228.37 73193.1 87682.92 4881.07 6842.02 4799.11 5313.97 3798.99 5455.89 4864.23 6620.62 3007.86 5702.52 2467.85 4035.32 4343.07 3094.04 5419.5 3221.17 4777.47 4998.8 5365.74 5911.35 4808.52 4582.16 6607.31 4785.84 3180.52 348140.81 349454.93 347261.55 344232.96 348172.71 347747.95 346283.67 342927.38 348171.94 Ser-Asn-Thr-Ile-Leu 40478.27 21050.62 3258.03 14021.21 100013.91 16107.58 2121.92 37858.25 27174.34 23391.66 11173.72 4557.51 4064.07 800.33 39761.53 51649.71 18233.24 3793.11 34280.93 60136.53 9857.49 6675.95 2928.61 5615.87 3010.96 6698.82 15244.73 2284.29 42536.99 21469.63 33264.66 85094.64 31224.7 10874.11 15101.82 18056.58 26314.9 19998.61 5922.68 9913.1 16427.86 67866.19 13180.54 7557.77 34035.66 7742.13 41199.61 21431.13 55007.5 42502.25 30882.77 13206.69 5679.7 15301.73 24667.31 20349.94 4581.2 8030.15 54847.53 16201.12 8210.73 5886.64 38628.03 18794.64 12345.79 33497.53 21520.18 9427.62 12529.49 33113.01 23791.49 18130.6 21870.82 12043.94 8831.08 26155.46 26944.84 26027.74 26326.67 26456.01 26815.81 24703.18 27451.69 22689.39 Val-Asn-Phe-Asp 3178.4 3779.61 2846.31 557.03 6061.13 16097.75 3760.07 12901.73 8968.91 12666.96 2834.49 2960.67 1434.99 3504.82 3337.42 12228.64 2243.88 18710.4 802.09 1417.7 10340.03 17729.59 6538.73 8338.04 19302.04 28880.16 5852.94 2057.04 4957.2 4518.4 12591.74 6053.19 2305.05 8768.47 8181.6 13664.19 9198.62 14559.27 2248.04 1881.1 3729.48 14304.18 8933.09 5445.09 17205.29 3622.71 13387.09 12636.65 4852.91 13166.81 5427.94 14460.1 7955.16 6017.1 4109.75 9306.73 4075.77 7669.9 16034.85 11529.7 5119.01 3869.17 4338.95 10516.47 6872.05 9334.14 12119.41 2227.68 8369.37 13720.54 6478.79 10278.1 5800.87 8997.47 3223.43 9232.24 9051.51 9432.78 7996.58 9439.83 9229.16 9385.27 9042.27 9076.87 14(15)-EET-d11 5839.48 7014.94 6454.72 4774.71 4717.73 13201.59 7829.41 6171.19 6189.26 5619.04 4350.3 5743.92 9479.86 5199.23 9806.27 4024.94 7546.61 7316.95 11555.36 12064.92 5641.84 7015.8 4847.11 6372.81 5900.29 3221.51 5945.62 3073.33 10495.74 5380.43 6358.52 9761.53 9720.04 5408.21 8079.04 3231.39 4460.46 4580.66 3313.3 5155.77 5457.06 6958.86 6461.81 5074.84 4622.08 2143.27 8452.28 19127.4 3099.46 8010.48 5520.66 6369.64 4411.83 3448.67 2209.09 8862.29 5259.98 4177.96 4205.82 10695.22 5776.26 7311.28 5079.2 8544.07 7726.93 5346.4 9643.52 7069.94 5489.31 7547.06 8666.57 5970.91 5226.59 8974.09 8708.9 8113.84 7557.7 7813.13 8006.4 7916.76 8048.57 7892.24 8049.33 7872.79 His-Val-Ile-Arg 591.3 220.88 1441.69 581.35 640.84 892.11 2294.59 773.07 1653.31 316.21 1132.91 787.58 1856.78 1207.31 1263.65 1188.73 2529.42 673.82 1669.67 1399.2 547.86 1294.76 1190.77 1480.48 1118.37 434.09 1037.93 743.84 2508.19 878.68 1125.05 2001.78 350.14 3435.88 384.02 1727.34 2535.16 1216.95 1509.27 1691.22 1154.72 1886.51 686.2 1590.21 1644.91 812.33 1760.83 2271.15 2920.61 3932.23 782.62 958.43 682.75 2424.9 1586.73 1679.56 5378.98 2152.33 1121.26 2617.01 1278.83 1826.9 2447.67 5608.82 1131.82 485.48 575.93 1149.97 1834.22 2998.98 1178.05 1345.13 6679.81 1677.54 723.04 2947.15 2240.83 3727.59 2739.28 2363.02 2682.56 2371.27 2727.81 2385.71 Ser-His-Thr-Arg 19175.35 3881.49 7930.26 8621.88 19625.76 18448.75 14624.34 33802.14 24608.54 8254.11 10130.55 16943.95 1561.57 13228.98 23952.21 14772.67 6830.01 19298.93 4650.45 4937.14 13014.19 3014.95 11385.09 13584.08 24496.75 16632 12529.35 15239.42 25711.6 1713.96 40132.2 19790.9 1806.63 14984.27 9966.51 27243.83 18928.47 13352.34 13444.85 9568.57 29594.61 29780.36 13816.36 9364.96 21443.31 12257.89 25137.31 11824.94 14062.24 17684.08 25606.17 15344.61 10918.27 13115.8 13332.85 10688.41 1164.82 5143.73 17363.68 9333.62 9731.17 10097.77 14323.46 11759.23 10958.81 20748.56 32065.47 13122.69 8628.74 26074.19 19060.71 15698.14 12412.82 10869.72 9980.85 17223.4 17914.62 18489.27 17887.14 18269.44 18001.68 18317.48 18310.56 18140.73 Asp-Lys-Arg-Glu-Lys 589.54 1000.14 7115.41 8612.34 12872.59 1908.32 30403.22 32066.1 29437.93 28096.44 7345.15 4671.51 1017.71 3676.7 1044.37 1589.43 13123.72 701.34 1623.62 1418.96 581.61 796.24 746.04 614.34 529 6571.85 4691.86 323.49 402.28 4282.69 6646.49 14937.01 1131.04 34891.8 18680.1 10712.7 25948.81 25638.78 21255.73 15181.68 54655.67 39829.77 14540.83 11859.43 43172.88 20211.57 10981.22 8477.01 7668.68 9055.73 28154.69 29568.37 16617.75 18825.67 20183.3 25865.98 11538.51 10552.18 20891.35 19664.3 14394.38 18798.12 23938.91 13916.23 11233.08 29057.67 35796.35 13494.88 12166 24568 24578.49 30434.8 16927.99 16005.81 18096.76 23599.38 23360.13 23557.65 23558.55 22800.85 23554.6 23475.1 23357.73 23353.89 Tetranor-12R-HETE 10345.28 7184.35 3566.31 2589.46 2108.11 2810.4 6320.72 15686.81 17632.52 11426.64 14634.75 10864.16 10852.38 7441.3 2104.89 7813.15 8901.8 9676.39 2647.78 17309.33 13672.83 4592.19 14060.49 9566.81 14238.48 1264.67 812.72 10755.01 1061.71 1194.42 18553.22 15381.12 4288.24 10130.39 2774.17 9548.92 14136.49 3277.58 5095.31 12441.03 23461.8 17491.68 6670.9 6321.03 11283.77 12227.95 6767.36 5912.28 6182.77 10098.62 10510.31 16206 4467.47 5106.2 3846.45 2699.01 1636.33 6156.77 6704.45 1044.78 23917.7 12623.81 6788.52 15073.66 6141.31 13949.36 8606.59 6226.45 5769.62 11561.38 10565.18 17071.62 11547.14 2120.7 13821.06 10744.88 11098.8 10973.68 11098.93 11099.29 11003.4 10961.39 10963.58 11019.89 Thr-Glu-Lys-Asp-Glu 3026.93 5073.99 3741.69 4043.37 7500.13 6897.22 6810.87 9462.92 502.97 1210.12 8035.88 5627.37 7058.6 4260.24 3160.33 3311.58 3769.72 3334.02 3658.53 1247.25 4832.95 2513.63 4818.55 3148.9 1548.36 412.5 3960.99 2793.89 2488.92 1439.1 3239.2 3022.07 2650.63 2907.67 1117.18 4202.25 1401.37 1739.44 3150.09 3599.73 8283.18 5697.23 3865.74 2973.78 1804.26 1775.86 1712.51 3065.84 1549.76 5104.81 4972.75 3234.3 4620.9 960.04 6952.96 1406.08 3382.15 1836.94 2928.35 3736.99 1149.6 1591.48 5653.57 988.58 4495.77 2268.08 2184.23 4808.97 3307.25 3455.04 2760.52 2258.03 2443.55 2687.61 1480.2 3352.71 5119.06 4376.31 4880.89 4764.32 4688.95 4969.98 4958.05 2762.62 2959.5 3570.13 3449.05 3094.74 2655.04 4249.29 5608.35 3231.85 3633.78 2115.88 2721.06 2821.46 2634.55 5414.4 3314.53 4662.2 4432.33 4470.14 4427.18 4429.2 4164.14 4503.8 4205.51 4154.94 3938.31 Phe-Leu-Lys-Asp 5996.1 1077.29 8827.9 5455.86 18703.57 1285.08 5033.65 3044.96 1275.19 5438.2 13261.26 2059.75 7171.75 1298.01 3311.16 7062.88 1731.54 4273.19 12759.17 1025.86 1398.06 5411.39 8439 18669.93 7291.76 2024.16 4620.13 802.69 10422.36 1824.36 2465.45 2272.44 3260.83 10398.7 10770.04 6607.99 2505.1 6614.9 5566.38 1778.74 3793.76 14059.42 3255.27 6118.65 6220.46 5974.04 2067.05 7872.39 6918.06 19836.09 6945.48 7172.53 6387.75 11705.62 40498.48 5388.24 1933.25 2375.3 638.96 503.84 6865.01 7065.91 21703.99 9153.41 4932.15 8144.73 2283.01 924.65 2785.66 9796.84 7390.18 7625.75 6367.93 27134.44 7073.48 9067.16 8794.2 8890 8576.23 8984 8970.76 8806.56 8806.55 8982.66 Leu-Lys-Ala-Val-Val 29042.47 54279.6 29975.56 52301.86 58433.31 99863.13 48521.79 35269.81 42164.86 34854.68 49219.55 78466.42 147996.75 100335.83 62350.67 75347.09 66949.72 108920.88 94218.67 110143.8 76743.28 73248.04 67275.11 25117.83 29526.08 65803.13 24770.87 35133.68 61059.73 66725.64 87167.68 129656.25 94021.9 70325.42 40881.19 66363.25 49768 89646.13 52191.04 49056.66 118292.09 124111.85 57054.86 61580.02 98440.35 73163.26 74678.77 82887.74 82930.83 189357.6 102651.43 124870.77 64072.85 90189.85 58128.99 92511.33 61005.44 39998.48 44487.29 46098.84 42382.2 29422.41 51519.07 45733.08 34319.07 67459.57 116067.32 51135.91 42261.49 41063.07 70456.09 49864.22 47432.33 109053.29 81651.1 2586.23 5052.54 3076.39 1674.64 2138.73 3148.73 2190.44 1934.4 1824.42 3005.36 2548.37 1611.06 2813.56 2101.27 1564.49 3735.03 2358.51 2860.77 1992.02 2317.34 3244.39 3019.06 2225.56 2052.66 2622.14 82743.15 84478.85 87819.6 86059.14 87352.41 86127.29 84592.59 86120.95 84553.6 Lys-Leu-His-Val-Asp 23866.39 29281.09 17192.24 22834.04 33228.97 45002.42 33613.64 23936.44 28906.18 29386.28 11640.7 7127.1 7941.57 5313.82 18750.26 18719.58 11393.37 18261.35 16869.83 1357.87 17556.6 18587.35 12843.61 18588.26 27649.75 26588.36 22431.11 22088.17 506.07 7821.01 28888.73 17737.96 17056.64 31334.61 19048.11 2120.16 21870.64 24202.5 21365.63 16333.44 43976.14 29278.17 13430.42 13863.56 29372.47 16948.87 4821.03 1714.34 1097.25 5083.06 22147.61 25944.37 14566.26 19777.5 15586.83 20249.21 13151.84 11282.76 16794.82 20129.29 17014.8 19413.6 20930.99 17170.37 9992.22 22360.36 32710.05 15523.43 14704.73 20485.55 22069.76 27609.45 22458.53 17596.71 21130.22 9549.92 17094.84 10844.35 10036.25 9242.39 9614.5 10229.88 9813.85 9834.99 9652.18 8745.73 8941.81 9621.52 9481.73 9886.95 7237.63 10283.24 9590.0 9399.48 10374.12 9921.43 9789.58 9840.46 9889.22 10460.97 21036.38 21041.1 21328.88 20741.33 20955.43 20666.02 20976.78 20675.13 18441.98 Phe-Leu-Leu-Val-Phe 11007.58 6508.4 3446.66 1612.63 13050.56 12011.65 5990.44 7197.39 8170.06 6262.53 4192.45 6693.93 7310.77 8533.57 6893.69 1097.58 448.21 7023.44 4145.94 10374.08 7120.68 5003.57 2880.13 4544.29 12855.75 9040.07 5503.98 4880.11 1033.21 8744.22 14110.63 7016.18 4458.9 3820.28 3775.86 14034.41 9510.66 6745.64 2826.11 3521.07 11501.42 8628.5 4722.86 3442.71 8684.02 4262.38 16207.2 9892.41 7294.37 12487.08 6224.27 6242.25 3002.89 3907.97 4522.61 6466.62 2265.46 2253.39 5023.86 4624.88 2142.31 3338.23 5257.77 4553.22 2622.15 6878.66 10590.12 3810.85 3174.57 6026.82 5717.02 5505.51 3986.37 2841.22 3610.02 6868.01 14596.49 10056.7 7140.32 7956.69 10540.02 6976.55 7681.84 7777.69 6951.06 8045.12 8734.09 9858.92 8114.23 10479.12 4417.02 10401.17 10075.03 11057.17 5664.6 5321.69 5397.15 14661.19 6281.19 10765.39 6768.69 7063.06 6947.71 6731.07 6864.31 6894.66 6777.35 6954.71 5525.85 2-(2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE(WB 4101) 6671.54 4330.7 1312.24 3299.13 8762.87 3433.53 4155.98 8276.23 9898.51 5508.12 4463.98 4555.8 5479.17 3017.64 6378.47 3911.04 2462.64 6084.93 6897.34 3977.5 10051.88 664.76 3128.84 4319.17 7344.27 9183.15 3327.3 6461.44 9296.82 4288.47 5580.75 3318.68 2420.14 2633.42 3277.11 9291 6477.88 3717.77 3062.15 2700.66 4548.19 10717.01 3571.94 2514.82 5669.94 5256.73 7900.03 6175.6 5362.13 7727.58 8794.62 6370.69 4479.73 3897.97 2897.01 3662.62 1376.16 800.82 5301.96 2884.48 2006.33 3953.9 4800.06 1772.14 3545.26 10498.81 11578.24 3777.88 702.54 9520.63 7247.43 3697.89 4521.95 3830.46 4701.54 6728.75 6658.15 6118.19 6782.55 5862.94 6790.86 6732.19 6836.78 6462.48 Tumonoic acid F 366.46 2242.51 218.24 4639.88 129988.74 25315.99 23752.6 1769.8 4693.64 608.78 2058.19 226.45 3547.49 230.41 187.42 3978.87 611.28 251.85 2204.63 2982.53 426.17 817.31 562.03 2082.73 135.05 356.34 3477.01 2104.16 2230.98 1877.08 1542.81 799.16 188.48 519.39 3557.74 218.61 220.83 316.78 218.18 2145.29 13663.19 1192.79 453.39 256.25 3578.65 1638.41 276.59 143.98 2508.73 392.96 159.11 3404.39 362.48 439.94 2315.43 128.01 385.37 1790.31 607.04 2160.72 813.15 927.34 524.03 196.8 1572.88 176.28 4383.14 416.28 1802.03 3129.78 3258.14 374.72 1837.16 296.15 1029.12 6371.18 6424.2 6248.87 6337.9 6368.2 6371.63 6337.25 6365.96 6350.81 3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione 5349.87 7379.07 3126.45 4748.31 8865.83 5659.99 7634.67 6005.39 5724.29 6095.65 788.31 2349.02 3244.33 2660.23 2659.96 5331.6 5744.69 4051.95 2451.94 7637.31 4270.51 1044.36 6061.8 4124.26 5397.49 4287.64 5419.91 3310.83 3177.76 1755.79 4109.3 6678.8 1722.79 5330.49 5263.16 3564.29 7515.43 3776.67 3038.54 4514.2 3700.51 6741.8 8310.55 2302.87 4703.76 5317.1 5646.58 3272.2 2847.79 4925.13 4907.44 8971.5 3019.74 6722.74 4430.79 10321.55 5822.49 2510.23 6831.17 3382.68 2759.66 3596.62 3781.13 3588.64 3640.12 6352.56 7270.6 2714.02 3875.91 6444 3685.35 3820.38 3022 3895.98 5960.67 5919.68 6223.76 6029.29 5955.97 6505.75 6593.26 5922.06 7260.32 6444.68 Tyr-Leu-Pro-Ala-Val 3722.92 2318.57 1095.53 896.3 3695.11 3663.61 2530.36 2071.02 725.21 1244.85 3406.73 1517.37 1479.49 1682.74 1606.67 1772.98 1098.54 1562.64 2238.96 2589.71 2245.96 2319.8 3174.33 865.39 655.37 4188.03 1643.49 1431.38 735.05 713.94 4957.62 1436.66 2065.94 4824.61 1860.08 1618.83 2373.29 1862.96 3028.45 1146.9 4275.09 6103.55 1028.21 1666.79 2693.41 1614.89 721.97 727.9 1183.89 562.46 1662.98 1319.74 502.41 1140.36 2182.64 2535.34 1228.77 1970.15 1788.75 2818.34 2250.65 692.6 1549.62 1693.43 1274.98 1793.14 2964.26 2349.84 922.18 1912.2 3692.68 3442.26 2979.81 3000.88 3553.64 1929.94 1856.69 1924.15 1919.85 1987.74 1763.37 1917.21 1720.59 1432.49 Arg-Ile-Val-Leu-Val 27515.03 28880.45 23091.93 34222.13 29984.37 24724.03 33672.6 38751.99 25386.65 23520.01 19805.6 15068.45 17308.54 24216.89 20003.82 30012.84 23168.97 22113.74 33955.55 20518.76 26894.31 16448.74 17413.26 25067.63 23044.98 25057.55 23361.39 23415.66 25340 24078.2 24413.74 28396.95 14962.79 25403.33 26892.03 24799.25 24908.12 17643.66 22311.05 21946.12 25173.45 28299.69 23341.59 23375.57 25146.11 24247.16 29557.5 25548.91 21753.8 18764.7 12931.45 18500.5 14866.42 16550.69 20053.01 20372.98 17422.63 17270.97 17411.83 22210.22 21169.74 31400.96 21929.44 24207.45 20987.6 27024.9 24828.48 25127.24 26942.56 22648.67 26275.8 22946.13 23224.03 29694.89 18678.71 9264.33 17641.0 8617.15 9145.64 9295.86 10122.85 9093.92 9379.97 9019.27 9995.84 9430.86 9316.45 8897.41 9207.79 8740.36 9341.91 8991.51 9709.76 9401.47 8733.17 8554.04 8865.26 9192.92 8515.07 9455.6 21923.87 21770.37 20966.28 22115.33 22255.08 21782.61 22528.97 22239.54 22194.25 Gal1-4[Fuc1-3]GlcNAcSp 1346.59 4884.23 1640.16 1973.26 7389.29 13869.95 3371.88 4033.15 9652.03 5092.28 601.36 7479.75 7020.95 6016.8 4504.96 8827.1 2263.31 1347.86 11866.58 5761.97 8931.4 832.45 653.63 7011.14 7467.13 1819.98 6442.97 5899.22 4834.49 2533.59 5371.67 12444.61 729.86 6490.28 7364.96 3337.89 4252.25 12127.06 2232.25 6094.6 4330.29 3230.04 5527.33 11145.95 2604.8 6899.68 3516 10924.63 4120.82 18729.96 5610.97 5114.78 5333.64 20950.65 2425.29 5271.86 3435.27 8475.6 7996.78 8126.58 4830.28 2355.72 4767.49 5362.51 8278.64 7418.19 8205.98 5556.05 1855.41 4958.39 1943.46 8671.12 11362.27 13444.51 5803.33 5546.26 5176.54 5295.13 4853.63 5491.24 5594.05 5545.21 5502.83 4560.67 Val-Val-Asn-Trp-Asp 936.7 2258.64 1171.73 6488.87 1887.94 82602.87 4909.6 7001.15 7573.61 24982.1 933.85 3186.71 772.52 1560.58 4033.37 4534.65 5918.27 497.37 2142.72 6285.03 8165.78 49623.3 14745.21 1098.76 6603.13 47620.03 5120.73 2903.63 3364.45 884.75 771.56 1377.28 8189.2 2336.8 6341.21 5852.5 1943.69 49993.33 5170.85 8242.19 948.29 3839.32 7095.47 5199.15 7691.02 2792.84 1402.25 8103.85 1192.15 7607.77 4141.27 27247.65 409.46 2810.92 841.99 43077.8 5989.22 4878.63 3233.87 38350.21 1558.62 5421.92 24054.25 850.93 4408.98 1595.52 45977.55 4137.57 3941.82 10621.48 12488.04 1799.92 1813.46 2408.89 7156.66 6716.41 7852.88 7428.87 6803.9 7148.11 7014.44 6722.57 7260.81 7401.42 Asn-Tyr-Arg-Asp 14230.65 19741.63 16137.48 15273.24 15813.59 20655.74 698.4 14990.42 13606.95 15775.26 13306.34 16056.81 10621.9 19538.6 15962.13 18521.33 14454.26 12752.66 16517.58 11435.73 16030.1 19156.57 9409.2 7634.19 13926.41 13784.76 15718.62 11396.62 11223.27 10591.26 12641.61 8652.72 11914.83 12999.11 16923.86 16785.78 12884.71 21759.18 19190.45 17337.45 14355.83 11259.87 22119.27 18538.89 14728.16 15238.53 10696.84 15336.62 8377.52 12475.79 21507.61 16148.04 15566.46 17490.5 17177.49 16031.87 16716.48 20311.34 14980.98 14348.7 11761.98 15495.44 12260.35 21667.47 18762.72 12138.76 13418.05 14363.96 15877.16 13712.93 18416.86 12334.61 13280.79 16400.8 20093.01 15354.58 16180.24 16104.96 16204.45 16518.78 15970.23 16135.29 16021.67 16210.7 Val-Nap-OH 6271.34 58151.9 8462.02 2823.81 23441.59 54044.02 6688.96 14596.22 32417.36 24394.89 1627.2 13701.36 9184.04 12255.42 44857 5103.15 1904.94 11390.74 8762.58 27231.57 16529.31 12028.99 3964.6 899.64 23753.17 57654.35 9595.11 5961.61 13343.98 5073.14 2530.98 1553.6 65707.29 1410.34 10289.56 4793.63 27490.91 29470.79 896.99 7094.08 3320.95 16507.15 5056.19 1622.91 2848.56 634.26 8780.33 10265.69 2587.06 6062.81 7806.26 8698.46 6574.21 3348.05 22805.25 41421.49 5398.54 14645.59 29582.5 21474.24 3606.39 1393.12 26931.89 12548.6 12660.22 16197.38 58323.87 4273.68 2742.27 31853.19 47554.9 7020.24 4507.36 10590.15 4066.57 19774.8 17545.98 17576.81 21007.16 16492.57 16343.33 17943.96 16295.16 16581.55 Val-Asn-Asp-Lys 19038.57 15307.39 3083.67 1699.38 15914.02 16342.72 6523.32 26488.36 12424.45 20787.37 626.72 30872.99 3427.53 10497.06 21373.8 24928.3 5840.93 44335.42 48888.15 41536.75 25586.07 16235.35 11490.68 5959.53 28453.9 32285.47 503.43 901.34 46131.26 37131.01 34508.02 72620.36 21914.18 13379.69 1865.76 31043.68 26320.7 16293.81 5966.34 2633.45 33079.32 47867.72 12366.26 1190.67 46406.41 8442.21 30406.46 22480.1 9926.3 35391.6 30018.87 14157.36 8480.34 1908.9 13979.4 17766.41 3652.82 7906.35 42125.85 4852.33 6761.95 6796.58 15812.57 16269.4 12825.97 22236.74 17772.36 7680.99 9533.43 23627.09 12546.74 23209.21 13330.95 8294.2 7194.38 29308.62 23564.97 36066.91 26735.69 31833.81 17963.46 10222.74 42398.66 30766.88 5343.35 4782.54 9250.19 9770.92 41058.17 7158.74 18303.61 13151.78 37964.93 20158.26 6046.81 20257.41 10449.89 14015.81 22898.29 56048.72 22579.19 21170.47 22359.26 22233.56 22454.76 22093.44 22468.25 22336.12 22103.65 Phe-Leu-Asp-Lys 394.16 1312.61 871.51 2570.18 1814.61 1733.01 992.82 2947.84 1873.44 600.42 1158.88 2255.63 1777.55 362.41 4208.58 4153.26 1867.11 1573.96 1168.03 1604.41 3272.76 3007.99 5664.96 4090 749.75 808.16 1773.33 2020 509.32 6517.34 1027.36 1517.97 996.79 5076.93 2360.11 997.21 4115.66 1943.93 2044.68 2579.31 1490.31 1042.88 1459.7 3070.11 1406.44 4813.73 993.59 5164.89 5925.85 5639.04 1355.79 2452.7 5684 5102.34 5524.81 757.9 3291.32 3767.65 887.29 1395.17 1936.45 3313.47 1355.87 6733.02 1761.07 3215.83 2408.97 2943.49 2201.35 2447.33 1667.36 3143.83 5200.25 2851.34 7544.12 2927.37 925.31 3220.14 2915.2 2844.58 2615.8 2504.4 2607.39 2721.81 Lys-Ile-Asn-Glu 5891.14 5846.85 633.26 584.39 3642.44 8567.87 5485.78 7183 13465.8 4335.68 1066.54 1645.91 865.95 2094.42 1667.88 1882.9 1342.99 2524.4 3026.16 1132.95 7924.63 3056.4 1914.31 2319.38 2547.81 701.22 1519.82 1770.86 3308.68 2247.09 3029.09 2557.3 5583.14 5187.98 4100.53 5030.27 7550.03 3924.89 2382.05 3074.57 10041.05 13305.86 1464.73 2610.02 7503.47 3529.6 8047.06 3608.86 3289.41 7666.33 6977.03 2646.59 2800.31 2890.36 3250.17 2471.46 2252.07 2398.65 7073.17 1948.19 1602.27 4476.06 3589.63 3720.03 4039.23 8479.89 11193.51 1896.74 4302.63 10703.6 7955.96 6075.97 2813.32 4235.5 5121.85 5917.7 5963.77 5455.37 5451.18 5803.4 5975.22 6209.68 5546.67 4986.51 Arg-Thr-Leu-Ser-Asp 2099.57 2290.16 1299.61 6711.86 463.34 1847.03 371.46 2849.21 2521.27 9039.19 1566.95 1658.44 1647.19 1431.68 1984.44 939.8 537.45 1983.08 2360.86 1043.75 1679.01 1658.32 1374.99 5723.22 2804.76 677.94 3749.91 512.8 807.78 945.76 795.16 1177.92 1255.94 7573.91 3153.18 1055.37 4106.28 4683.67 2359.65 1533.08 6340.95 2030.03 5549.37 7682.06 7730.48 4307.92 3006.03 3235.35 5160.49 1033.1 11774.18 6900.91 8512.03 3404.79 6214.09 4690.96 3280.78 3419.57 4483.91 1293.13 2256.39 4916.02 11948.44 5657.09 857.39 5156.81 12156.15 4292.13 1597.94 1091.77 4806.31 7083.41 10489.77 800.12 5369.26 4353.96 4218.22 4249.98 4226.65 4610 4426.06 3665.01 4298.1 4433.5 Ala-Leu-Gly-Ile-Ser 7085.65 1523.9 1218.11 2453.88 14111.89 2599.81 4426.92 4729.5 4880.33 4919.45 1158.47 2139.03 3575.27 2133.62 3009.46 1003.33 1399.34 764.45 8112.95 1641.06 5482.14 931.57 822.77 2446.38 7719.93 8247.3 8532.18 803.12 9002.42 564.12 2948.63 2336.54 1342.45 5927.35 581.64 3271.65 8523.64 1493.13 5300.83 1909.6 6525.42 10139.48 2534.07 2414.51 8437.46 7926.08 4114.88 3548.73 4173.94 4816.15 3888.38 2406.59 2933.57 3789.91 6478.03 1418.76 1011.22 2038.49 3830.27 1052.7 1800.28 4153.82 3183.4 1416.67 1473.71 3715.27 1893.37 858.83 1343 5561.34 2959.26 4708.36 1111.15 3703.36 2384.41 4406.73 3980.65 4108.98 3982.85 3986.12 3688.34 4008.98 4106.4 3971.36 Diacetyl-10-gingerdiol 2112.32 4996.3 7075.22 1647.22 13994.91 42456.48 18120.02 1858.5 800.82 4050.94 630.98 19403.28 20765.39 686.24 7194.87 3632.75 6103.92 1063.02 1610.16 8081.44 9313.54 3607.32 988.2 852.8 4719.08 5465.87 1064.8 9708.36 1140.95 9873.88 1467.42 8858.84 4952.68 16198.92 4620.18 280.09 4328.61 9102.1 2338.1 6356 34105.78 25291.84 3003.08 2536.99 4217.24 16057.27 5606.48 2032.19 1731.22 8350.25 11266.24 4228 11500.04 16882.56 4642.93 703.43 6551.08 400.03 7040.48 56661.49 1202.57 7062.8 3304.6 3615.95 428.79 16959.08 7077.53 1588.32 1609.8 2871.01 3835.32 534.83 3232.58 6712.22 12644.15 9811.34 9716.5 9052.15 9860.3 9577.75 10582.67 9771.42 8803.38 9631.95 Arg-Ile-Glu-Asp 3830.31 5492.23 4018.06 3674.87 5121.64 5861.32 880.15 3499.36 4642.54 5874.56 2751.58 967.83 2046.48 4070.7 3155.46 3803.75 4482.96 3400.05 6614.26 5430.96 3798.86 3481.55 2755.23 4350.37 4916.14 6032.61 6355.71 5075.64 5520.32 4402.81 3839.16 10274.51 2766.83 5299.98 3391.85 5689.8 5242.88 12611.73 4943.87 8520.25 4896.89 5696.77 4027.4 1859.26 3921.63 830.22 4386.73 4207.11 7720.52 7707.87 7121.26 8826.73 3608.28 5587.69 4249.62 6035.27 3437.42 7326.19 3319.36 4170.11 8038.29 7546.75 6125.94 6690.02 3718.79 5793.47 8435.11 7075.85 7020.93 4258.28 6871.78 6627.53 9496.21 5971.69 3789.33 4886.09 4982.32 5207.07 4894.17 4949.57 4861.56 4889.03 4905.41 4889.32 Ala-Phe-His-Lys 28785.85 20203.95 7060.79 15707.32 13210.55 19643.14 17974.87 41986.11 42781.14 25453.99 2354.05 20307.07 15606.78 7358.71 23735.89 25982.47 2209.88 28983.08 50363.04 53843.12 31621.05 3246.62 10362.78 17575.61 28750.88 27980.83 13633.21 16703.03 39050.8 22452.36 52571.22 26944.37 14701.55 15589.58 13907.99 32698.28 35423.68 40296.94 13901.69 10907.2 35647.61 53506.29 15697.95 7415.85 35661.4 20323.45 38119.2 20019.36 17290.23 29431.08 30122.61 23514.73 8891.27 19811.36 20623.71 19851.4 5607.97 5466.74 25409.99 14054.66 11134.06 8167.15 19179.13 17716.33 14404.68 30337.36 40382.83 14167.9 14010.58 37962.56 41760.83 21927.65 16726.23 14979.68 13095.14 31808.88 26294.95 26717.14 23685.89 26705.44 26596.53 26434.62 27130.24 26776.28 Lys-Val-Val-Ala-Gly 1679.89 12330.16 8557.63 8881.09 9422.77 16848.54 13996.5 9442.88 5237.95 11026.41 5929.5 3822.71 13807.96 4641.41 3613.65 11082.27 3093.66 13461.84 9960.89 15375.46 5970.03 11817.52 1223.16 13437.65 2555.89 12309.17 9172.08 9408.36 2784.41 11824.47 10291.36 2258.46 8554.37 14026.47 8859.35 13155.34 7035.99 20635.67 10624.14 7720.38 16404.57 8099.71 11433.02 8810.37 13625.98 11999.14 5874.81 7493.88 9351.6 6046.24 7078.12 13326.22 11197.05 9502.99 4325.08 10121.47 8957.89 5003.8 10030.61 12656.31 12706.82 7648.68 8109.37 12070.82 6327.93 1748.35 10177.51 4556.11 6660.41 8712.5 7858.19 12579.34 9135.34 18822.67 13876.31 12286.84 11827.13 11915.57 11860.36 11898.75 11454.88 12393.72 11721.67 12899.96 Leu-Glu-Lys-Glu 28407.81 14703.3 2749.86 5557 32807.29 23606.11 2301.77 44186.54 36570.74 20018.45 16213.06 30669.02 13957.28 942.16 27508.26 14196.78 6718.98 43260.5 39738.33 44074.11 42302.64 7714.63 10545.74 4317.84 39332.43 26298.27 12808.01 18257.24 54673.73 40854.52 44597.38 59947.05 20044.49 15830.53 2313.92 40898.92 35174.08 9963.91 8448.34 6993.24 31334.89 51921.62 11442.72 6488.83 51482.65 998.88 34572.03 22950.43 47574.55 34939.1 36776.08 14353.83 11318.53 10895.37 19781.9 10337.81 516.49 657.84 38211.05 10025.75 2295.12 6900.38 14760.17 11978.29 8811.78 26410.13 26432.36 17892.65 9614.87 30277.14 24442.37 17574.8 18906.82 948.35 12724.73 21920.2 22194.24 21967.1 22326.55 22497.27 21980.2 21663.32 22341.83 22325.32 Arg-Ser-Val-Glu 1870.99 2539.11 2709.62 2317.2 2400.58 1575.28 2851.18 1541.85 1917.73 2123.96 792.39 790.51 731.91 923.53 1872.69 1432.24 1806.32 1450.9 1065.93 1769.29 1817.51 574.82 1199.66 2354.77 3350.61 1108.8 1492.58 1086.07 909.23 1014.56 1560.33 1380.95 481.26 2326.33 2004.01 2321.71 2293.32 1932.88 2547.03 1483.34 2216.45 4168.36 1534.28 2874.69 2731.97 1767.54 2254.33 2474.35 909.83 2250.52 1127.99 2567.03 2797.32 1614.33 1389.32 2483.02 2153.56 2581.46 687.92 2557.64 2017.25 967.24 3341.55 1592.99 2183.64 1924.27 1795.22 1307.81 2594.12 1578.14 2581.46 1856.86 1608.91 1635.91 3026.08 2344.73 2343.33 2540.15 2452.33 2345.13 2329.7 2335.36 2004.15 2437.36 Leu-Leu-Val-Val-Tyr 22219.96 15869.22 19173.13 16129 12949.4 22018.53 28007.63 29433.04 15132.69 16864.94 21549.97 880 1051.3 17391.19 15441.01 18003.86 14823.57 13347.04 1057.58 14195.73 21699.33 10771.57 11680.34 16497.91 14524.24 15600.03 16036.18 13065.98 20579.13 16458.26 1857.22 3041.82 1063.6 11077.65 16789.88 15938.49 15755.13 16108.27 17760.96 15672.71 16238.05 6778.88 14716.28 15211.88 14163.8 18527.59 17957.72 10629.25 16091.8 16704.36 14896.42 16073.91 14679.81 11877.49 23294.37 20993.44 18799.03 15105.93 14882.57 16983.95 16022.75 14072.79 17616.86 16442.5 14893.81 12503.85 19450.43 9219.5 14812.32 20552.52 16972.46 15102.13 15987.96 15138.42 16273.05 15561.62 15030.53 15006.09 9988.16 14526.07 13512.98 15563.55 14972.61 13977.25 Lys-Lys-Asn-Pro-Gln 45222.09 20942.51 21495.71 10716.83 122360.78 2502.31 4663.03 69106.04 56127.47 47344.42 26581.26 52920.07 36210.86 34321 42445.25 57552.88 13353.63 93606.92 99070.66 50187.17 73056.79 35433.58 34168.65 28031.77 71507.9 52149.64 22724.54 29521.11 73495.48 77647.25 49388.45 165007.04 29988.73 48168.91 19523.46 55960.91 58950.22 29429.15 22100.15 17790.26 38429.95 103152.13 33733.69 24344.22 87813.28 23177.04 52796.71 40160.38 106629.83 88941.43 108354.33 45938.96 38898.97 23646.87 53573.44 32979.09 10275.69 13797.59 84557.31 18576.09 20511.66 22338.3 43097.49 35686.91 21746.12 55076.05 37588 29599.8 23201.09 48709.84 28478.9 45603.52 40339.56 33797.54 29605.15 46522.43 46286.39 46456.59 46623.26 46174.82 46807.39 45465.29 46339.27 46342.15 Thr-Leu-Tyr-Val-Gly 16376.26 20782.55 10503.74 14523.39 20252.27 24408.66 24862.73 17556.61 24991.38 14977.06 12929.76 2951.64 2346.53 6167.33 21007.16 18955.61 13071 19109.29 11723.05 25414.7 25667.26 22167.84 16022.03 13276.83 17971.21 18230.61 15481.17 10678.4 2511.98 15106.51 21064.07 4967.11 19345.92 26099.97 17966.72 10643.17 2122.57 9192.8 14713.87 13948.44 35562.08 21441.89 14040 13067.95 10374.67 13453.09 4218.59 13639.97 3824.55 3668.17 16769.91 20702.94 17251.97 16864.6 8077.25 18999.03 8883.99 12407.98 20377.49 18320.14 12881.17 15407.83 18462.84 16468.81 11187.23 4335.76 23056.2 11331.55 8826.92 20472.03 19958.49 21427.2 16242.74 17150.61 15968.94 17709.12 18254.73 20372.46 18239.75 17930.59 17698.69 17700.43 17430.01 18271.75 Leu-Glu-Val-Val-Lys 4394.05 5281.16 3474.58 512.38 11545.66 24452.09 668.73 4615.18 3655.41 3451.78 3015.5 407.5 3382.25 5325.28 4117.22 5165.54 3661.64 13444.31 460.75 6133.12 4745.03 13268.09 420.16 2801.83 3864.43 5553.5 2741.75 4054.33 3159.69 5148.12 12270.06 10055.6 407.19 6106.65 3851.8 4064.4 4638.82 5757.72 4111.94 3596.37 6440.83 9544.43 3928.69 2919.91 7371.09 6839.47 3651.05 4924.97 8185.44 11508.65 6208.76 3730.43 1362.88 5518.61 3954.78 5594.47 3295.52 3669.6 3254.82 3446.97 1501.43 2477.92 5006.5 3581.3 4189.64 5558.66 6575.4 3465.03 3314.77 2986.55 4113.24 3028.4 5013.66 6150.19 3997.5 4634.08 5383.31 5362.46 5302.73 5515.27 4902.69 5176.16 5375.61 5134.12 JWH 018 N-(5-hydroxypentyl) metabolite-d5 2945.62 2343.12 2037.22 1295.17 4500.64 3708.83 2519.8 902.22 1165.16 3090.01 1463.4 4240.14 2023.74 692.32 1671.91 7568.7 2262 1974.66 1813.25 1133.12 1975.25 1693.61 634.45 1697.71 1537.74 1973.1 2005.08 2457.29 3557.98 1450.98 2297.92 8912.83 2619.61 2959.91 1716.59 4200.15 630.4 1580.11 666.05 1902.98 2708.34 1153.94 1666.54 847.08 1771.52 1059.34 2987.36 1139.09 3020.05 1098.68 6843.19 1204.35 2115.98 2261.9 1219.18 1482.94 1833.79 1633.57 2014.92 520.22 1113.06 435.24 794.88 378.43 570.14 1106.51 1923.76 480.53 1146.74 1848.04 2305.52 1394.12 1574.44 1816.85 1732.16 2354.36 2365.9 2306.17 2579.94 1109.64 3110.82 2526.48 2320.44 2328.97 Val-Tyr-Glu-Lys 6219.08 7740.99 3753.58 782.94 10226.76 8175.38 4260.34 8026.39 7200.33 6818.55 3194.31 2990.89 4050.43 3970.74 9177.58 6192.99 5438.01 4365.62 1214.05 10082.19 7701.47 2967.41 3415.13 4733 6228.17 9461.28 5139.89 4166.09 8294.35 677.44 5714.36 2985.99 6574.25 4936.51 5327.56 6050.4 8041.43 5530.92 1751.09 4405.75 5607.38 9035 6563.34 3019.31 6468.03 1794.19 8927.33 1816.06 2756.27 5374.46 5033.67 4753.15 5477.36 6920.75 5561.96 8436.51 3209.24 931.57 6278.59 2553.36 2474.85 3122.11 5986.64 6644.28 4102.99 9462.44 9316.58 5341.61 2163.34 6624.3 7691.41 7257.6 2905.19 2827.21 3276.83 5824.52 6106.81 5612.52 5013.91 5838.94 5598.82 5672.75 5624.3 5624.48 Thr-Gln-Leu-Lys 5767.01 6631.16 5561.24 6109.82 13265.11 41484.8 9237.71 6601.7 2878.59 3903.55 1488.97 965 6029.75 2819.9 9350.16 5018.93 3966.18 7590.78 3307.09 538.25 657.11 6141.77 1709.02 5397.03 7688.36 1693.98 590.13 4037.08 9296.51 4290.33 3999.66 472.89 4604.86 4941.77 5347.83 3098.06 8806.91 10322.57 3171.43 3716.51 8692.05 2877.26 4018.63 2737.37 5696.1 8072.14 7173.17 1441.87 4099.31 9685.62 7797.92 8667.22 6726.58 7730.11 6955.54 9141.86 9177.94 4418.67 8034.32 7552.84 3661.22 4995.99 12098.66 8104.94 2145.2 8838.26 7265.66 2959.2 2533.27 2853.52 4016.01 597.76 6297.4 6725.13 4864.11 6765.94 7039.82 7050.32 6747.15 7063.53 5176.88 7068.72 6706.21 7052.88 Linoleic Acid-biotin 7542.32 15494.78 763.88 9028.67 743.59 2386.94 1468.64 3801.98 1023.66 564.14 5318.48 606.59 714.42 14499.19 889.87 537.28 6931.22 448.91 1348.26 1104.51 8867.14 1077.57 6547.43 15006.86 19395.69 9303.72 3893.93 1039.38 1756.66 444.53 18486.2 4145.04 15705.03 7651.9 895.59 9861.44 6854.92 7223.64 11523.29 9829.02 21369.17 5274.4 14826.64 10421.49 21883.91 6436.35 24558.22 18250.43 11067.37 27976.5 12754.14 17790.64 7164.06 12746.11 4831.05 12571.17 1486.62 1130.78 8333.51 6145.93 2387 7639.26 18727.6 753.28 2823.93 7285.32 25728.76 3136.61 2093.01 12609.33 10115.65 648.21 8497.95 2451.02 11264.43 8598.81 11526.37 10967.3 11231.15 11037.86 11486.41 10922.04 11445.29 11010.32 Gly-Pro-Ala 2628.31 7691.46 1803.59 1822.51 7161.63 17062.74 764.18 962.96 9969.85 2429.93 8848.11 6415.96 10170.09 5510.91 4759.75 4949.62 360.17 5248.21 3082.15 18024.8 5907.75 1195.05 3749.63 6996.23 5808.95 2669.34 2698.17 3556.4 11377.52 965.7 1452.39 5887.85 4666.53 1858.43 5968.13 11149.7 6544.02 2021.4 2101.85 10186.03 6543.26 12467.82 5753.07 4447.83 10536.72 4598.7 5378.03 857.66 4075.29 1396.5 3882.68 6567.3 2485.47 2129.4 2176.95 2527.76 302.49 2537.22 4590.26 2481.48 769.15 2902.78 4470.18 2516.3 2985.77 10035.52 11050.25 2952.99 4093.57 6250.36 3840.1 5768.48 5533.52 2293.32 1117.78 7239.68 7927.38 6127.12 7165.13 7917.51 7982.69 7285.8 5445.16 8197.1 Ile-Arg-Ile-Ile-Val 4357.26 5127.73 4962.36 13826.42 3562.29 3557.51 7341.05 4307.62 3178.87 2972.14 3090.32 671.86 471.62 3253.65 5543 34869.68 4091.48 690.48 8330.72 8757.44 900.97 2290.22 2211.42 5046.76 4348.81 6374.72 2060.92 3018.84 3444.6 4237.7 520.66 6310.17 4989.45 927.08 6273.66 3015.58 2816.79 5643.78 1591.54 4081.07 4129.45 3215.94 733.17 327.98 937.85 68519.62 7897.92 461.51 1689.57 1086.67 642.91 890.85 1498.81 1963.42 480.76 4482.6 4084.86 3833.99 5370.33 511.72 2713.47 399.07 3855.16 370.29 785.91 21808.84 3850.99 849.91 678.58 4661.85 4376.87 331.48 602.36 6407.59 3547.12 4161.8 3959.54 5131.76 4575.23 4348.96 2942.71 4210.05 4741.75 4601.35 Val-Leu-Ser-Pro-Ala 3041.2 8278.63 6436.54 2021.08 526.04 8366.82 1107.85 4691.54 7287.31 4143.41 3010.91 6081.15 7741.79 7095.37 7335.19 493.52 9412.11 10322.47 5513.98 6966.36 7151.78 4626.04 4607.38 5379.25 8149.79 7396.96 5851.79 4864.65 5688.43 10608.11 10139.88 6360.79 2978.69 5183.42 5507.06 4048.87 6327.28 7584.98 6312.38 4538.85 7336.96 9417.65 5310.18 8382.36 3327.55 4202.73 7309.94 5620.98 3239.91 8990.09 4879.04 9744.85 6996.05 8171.55 3811.02 9794.11 5554.55 6374.58 5668.46 3945.38 4190.25 7399.53 4876.22 5007.07 8370.6 5310.59 8145.54 6693.88 5952.14 4587.81 5609.19 6062.6 6258.75 7118.11 8387.98 6850.65 4939.63 10285.72 8648.31 5362.31 6853.52 1744.58 4436.7 5081.15 1269.25 1606.0 4032.32 1172.99 1712.89 1078.38 8508.77 3308.3 555.14 4291.01 641.89 2693.05 4457.3 9047.96 6137.86 7232.59 7241.3 6980.07 7217.23 7006.52 6982.28 6967.91 7231.55 Ala-Gln-Glu-Val-His 1474.94 1284.36 496.3 817.63 3336.04 3933.25 1238.78 8061.85 2063.06 5953.35 3527.15 268.19 2032.11 931.43 1409.57 1573.83 523.53 897.83 3250.93 2367.02 1973.24 1807.79 1295.77 830.05 1529.13 9020.97 746.49 3095.04 674.49 7345.37 405.82 4804.6 431.15 1899.77 2234.99 2902.98 1596.24 962.28 744.91 934.2 3711.87 11457.88 1970.78 796.34 1541.91 884.42 1023.52 2610.7 6826.96 6823.28 5479.89 2460.88 1665.23 3235.67 4430 1479.36 1766.82 642.43 2199.55 2089.73 419.34 2289.29 2446.28 1334.27 591.14 4585.12 2464.06 1664.77 1689.01 2325.91 1264.68 4715.7 821.34 2400.33 1379.26 3906.76 3447.11 3831.71 4212.56 4061.62 4286.24 4297.93 5213.5 4265.22 Ile-Val-Lys-Arg-Lys 1314.21 4020.98 1468.44 4048.22 1115.35 1042.32 101345.61 2388.24 2405.98 777.87 6021.94 4171.1 4243 904.4 3855.43 3805.65 1114.97 760.15 4623.55 1370.5 793.4 4041.02 5658.98 3411.08 3748.15 900.18 913.83 1025.97 4047.32 1204.86 4123.37 6453.02 3642.98 4538.19 4124.78 2491.42 1921.82 3167.16 6448.13 5386.65 1783.54 5252.66 6218.84 4322.14 4978.34 5029.85 1870.99 4328.69 3084.91 5763.08 2823.65 5068.86 3299.4 4892.69 3692.6 4187.42 3177.38 4640.74 3565.17 1769.7 2557.21 5043.95 2221.74 3202.02 1250.9 3792.95 725.65 6117.44 4249.89 3560.79 1194.06 4919.54 4555.79 6114.93 6915.63 2955.26 2979.77 1986.89 2940.79 2804.89 2951.97 2912.18 3058.47 2773.08 Arg-Glu-Ala-Phe-Arg 32610.11 24289.79 17027.56 15626.42 42310.53 57845.31 28741.16 32301.48 53355.28 30816.91 18280.26 7334.76 18488.65 8470.12 33210.63 18156.32 15117.28 26370.75 20686.75 82983.05 39096.53 18593.14 1069.42 20268.63 36858.63 24322.95 23026.69 26234.2 13000.03 9976.5 45766.52 24554.13 19864.07 38033.85 32824.76 10737.27 35604.41 28360.68 25678.8 5247.03 55133.93 38269.7 17212.51 16271.04 39784.15 21152.18 5604.08 4899.23 5839.28 6503.2 20922.7 26771.66 16971.92 18666.58 25023.69 28248.68 19106.68 14221.3 19004.71 31187.04 18883.48 26769.91 22854.85 20632.23 11054.24 32795.31 65130.62 14451.89 19836.42 27438.71 29037.62 36414.77 20914.05 22575.52 24654.1 24528.45 23083.74 23647.85 21387.02 24441.5 24103.3 24368.76 24396.56 24197.54 Leu-Gly-Ala-Pro-Gly 43858.58 46353.52 33477.53 32984.85 5430.93 5859.32 19370.84 34549.97 26129.42 43809.09 2504.69 16702.89 37882.18 41602.8 33924.02 56724.58 30391.04 54876.96 49627.99 10917.1 7439.01 32297.27 32227.58 34573 38697.1 50890.4 21803.93 27348.65 2506.04 32482.23 59121.07 71772.43 1908.52 36773.39 42548.41 16298.75 21182.24 22408.23 25627.47 33181.42 35376.62 46117.75 30711.63 28243.6 28306.44 36565.92 19497.34 51349.63 38527.36 88535.67 43063.63 54386.1 41690.03 60199.41 29900.74 57405.01 10461.53 28671.33 12662.9 39013.9 24553.48 14765.1 16550.5 39607.76 17399.05 85539.14 47852.06 25184.44 32255.98 49536.37 20079.15 40449.65 32993.95 46813.4 34246.29 31064.63 33738.65 34071.2 34273.45 32093.5 31011.09 30960.97 32036.36 39811.28 HoPhe-TyrMe-OH 1078.32 1649.54 509.31 2065.18 6882.43 1900 7051.6 2359.1 3092.95 1174.82 3711.63 3158.93 5584.81 322.65 424.89 1687.7 909.14 676.59 2453.24 690.02 1567 327.63 1701.53 741.11 2052.62 276.18 982.06 2758.23 2056.18 1948.62 1385.83 1931.75 1514.42 3245.37 15591.09 1290.66 10422.94 1723.08 1206.04 4487.64 1805.81 1660.69 2459.82 1079.29 1688.39 5726 2128.62 2184.45 1166.46 2296.96 587.58 3793.48 1878.44 11766.5 1708.39 1114.07 2199.81 343.05 987.92 2271.32 1888.39 840.35 2687.97 5233.03 651.04 3820.79 970.77 2014.2 2071.48 789.31 3037.13 1516.79 1074.93 8180.44 1078.41 3985.91 1779.86 4304.73 4042.67 4061.35 4060.35 3518.01 4189.03 3264.43 Leu-Tyr 3872 1563.1 1232.13 1178.15 5464.11 4919.05 3750.88 19724.3 4179.22 2286.65 2127.92 2483.1 1662.63 1631.42 4598.48 5255.48 1821.16 3217.78 4161.64 6663.92 8256.26 1292.81 1310.15 1586.11 13920.42 4462.88 880.45 1829.48 2890.22 4942.27 4776.72 2677.31 788.52 5567.91 2245.95 3728.02 10310.08 1188.12 1195.81 4279.26 488.13 4410.55 4889.77 1612.84 5001.8 2559.51 3648.57 5260.14 3357.93 5125.28 6887.25 706.73 2165.91 2378.75 11045.88 3954.63 995.76 651.66 4217.63 3635.3 2232.04 442.27 7434.14 2226.14 542.68 7932.45 3233.46 922.23 3360.46 15503.47 9964.17 4435.5 3956.16 2376.6 3335.5 6350.08 4156.19 1660.89 1349.46 4565.88 6387.45 6368.67 774.18 2596.51 4325.92 5200.73 5640.9 5888.65 724.53 6624.47 963.75 5918.26 7141.2 1045.28 4959.15 5009.05 3543.05 4868.17 4069.61 4752.82 4758.85 4915.44 4651.56 4963.84 4988.09 5017.64 5350.05 3777.01 Leu-Ala-Met-Glu-Arg 97903.1 27915.75 16823.77 3927.27 23059.24 19419.21 572.77 134487.62 103810.11 172036.89 18145.5 77322.04 82915.04 88817.42 114264.14 25067.04 30174.03 276559.39 249473.78 55592.04 167519.67 84269.37 541.42 106676.52 310508.98 96078.34 49270.53 107555.9 169292.95 139989.41 67145.95 333076.64 88929.52 105012.71 31057.15 277089.96 192512.55 31284.96 83632.64 20020.68 16661.03 132307.56 108642.7 90012.46 289504.6 41489.02 106196.36 83539.78 127613.89 126471.97 260101.42 133604.34 111360.04 26711.59 176870.46 101492.26 2594.84 37142.55 221125.03 6501.46 37324.61 28416.42 157173.39 91265.18 104519.81 133021.02 58981.8 80034.8 36193.46 216115.66 25520.21 116222.15 96468.78 17649.52 15279.93 92576.62 92534.52 91664.11 93218.01 89362.07 91660.09 91799.13 91694.44 92548.49 Thr-Arg-Gly-Glu-Val 1073.81 2256.86 420.54 1985.07 1433.44 1005.81 6595.64 1076.08 718.03 1048.44 1221.75 613.07 2299.6 860.31 788.16 1315.91 1277.26 584.26 723.25 3994.13 957.94 830.37 331.63 444.43 607.11 1235.01 380.68 1168.15 1394.92 1305.92 539.23 791.83 532.05 393.39 1108.88 2390.78 376.88 824 1270.37 1390.75 2616.67 532.54 721.41 765.78 777.95 1466.95 1170.63 1810.36 1095.65 2515.2 1383.06 432.31 1680.36 675.04 273.5 371.77 888.26 1048.14 1413.97 365.35 1064.44 571.18 376.11 380.69 888.91 1312.3 1411.5 2302.71 391.42 993 958.13 313.66 406.31 538.41 500.34 2747.61 2865.19 977.25 2831.58 3023.19 2834.82 2419.78 2646.26 2672.55 Trp-Leu 9554.23 10032.64 855.96 819.67 1824.86 10821.3 5188.53 19700.68 9741.45 13034.64 5223.9 5413.87 1957.75 2947.41 12831.48 6548.42 1180.74 17504.02 14785.54 27940.31 9694.47 3478.65 977.83 2489.95 4825.63 12461.95 5525.69 4108.73 5957.79 4902.76 3171.67 16849.95 8866.57 4299.3 2221.33 30218.04 10614.93 8190.84 1285.34 4004.65 10707.32 13065.38 7157.24 1967.03 22284.7 5444.68 13819.22 4700.4 4798.32 8531.15 4957.75 12516.1 2838.38 5256.14 9487.72 17468.55 4548.24 3922.85 10173.26 2103.88 1194.65 2426.54 9528.83 1398.62 1918.55 12857.8 17986.26 2661.4 3298.56 11156.13 11171.73 7250.83 6120.04 917.5 2058.25 9576.68 9530.08 9156.38 9014.01 9106.17 9146.7 9516.49 9020.25 6807.35 Ser-Gln-Asp-Val-Ser 860.23 3007.06 1113.59 4958.81 7619.91 8902.22 6785.07 4537.89 2849.18 2100.63 6159.46 1096.44 4041.91 3549.37 784.5 1709.01 2929.01 1424.51 768.61 13494.33 1511.71 949.04 2233.55 569.68 1111.32 1043.21 1563.11 743.17 2040.34 2551.13 1746.61 1407.23 1924.39 5179.63 3968.66 2491.17 2385.7 3546.88 2871.81 2700.04 6463.05 4094.97 2488.43 2125.05 3889.31 4271.19 3843.62 3824.43 4662.2 6050.36 4139.8 1871.06 4252.42 4973.27 3768.93 4017.42 3221.58 3086.21 2130.5 1579.22 2930.75 2670.88 2343.1 3250.78 3408.18 4210 3495.15 2833.61 2110.29 3438.43 4212.84 2868.54 2632.69 6859.46 3976.51 4094.66 4092.89 3952.93 4020.36 3952.71 3992.52 4136.79 3496.8 3957.97 Ile-Gly-Lys-Ile-Phe 219.24 1013.3 551.44 7053.91 414.75 1710.17 2346.23 570.84 222.65 318.72 1365.83 1020.54 365.53 641.38 838.76 553.15 1120.06 999.84 785.63 381.89 565.97 559.01 700.74 518.36 629.2 334.83 2556.8 907.59 664.25 178.49 969.49 1131.27 246.19 2035.32 1483.11 434.11 182.41 665.28 670.76 1093.04 5886.16 1146.89 606.73 238.26 1207.02 7227.07 277.96 897.16 1138.46 427.2 807.57 265.37 1082.11 1003.12 1853.19 448.53 906.4 840.11 195.82 644.72 426.52 398.94 1005.88 1041.7 393.37 1758.97 474.82 146.16 281.96 272.21 307.7 1128.24 1061.55 1850.44 1582.26 3153.99 3054.61 3161.86 3192.65 3047.48 3007.17 3473.21 3199.21 2668.44 DIHYDRO--TUBAIC ACID 4928.6 5237.63 4829.2 4190.96 11206.76 4826.51 7224.91 5008.65 6022.08 5744.64 2513.15 4102.61 5015.07 4906.17 3744.26 3123.93 5014.03 3884.24 4340.95 3274.14 4661 5569.68 3918.03 3640.91 5464.25 5259.94 5222.2 6160.36 5676.57 6428.67 4202.17 5528.32 4167.01 6617.32 5074.39 5626.3 5392.02 4789.17 5027.18 7040.77 6479.18 5535.76 5060.56 4975.42 4808.64 4479.25 4167.82 5270.38 4270.96 4880.37 4365.53 6775.83 8712.87 6651.64 5854.93 5418.83 3976.8 3886.95 4610.89 4074.15 4646.86 5231.78 4666 7615.27 3668.21 7085.96 1697.14 5683.3 5075.75 3014.73 3664.52 5328.52 3916.08 4653.71 7507.39 5299.7 5395.53 5157.56 5297.82 5418.44 5842.92 5415.85 5297.04 5372.21 Met-Gln-Pro-Arg-Val 2039.12 491.38 419.37 1400.43 13880.61 39917.6 13209.54 1636.02 2781.12 1328.97 1029.68 825.22 1264.18 1136.76 3066.86 4883.37 364.49 1703.36 1014.86 12742.62 2009.66 3111.88 1800.87 819.12 2592.22 1120.1 966.47 1132.7 2074.41 1187.17 3302.19 21461.41 2748.71 3290.55 1085.97 955.41 1771.3 8288.65 554.6 1192.15 8134.12 1406.69 794.15 908.49 627.19 3146.92 1017.64 1279.27 1428.33 4949.97 1588.43 4222.18 1266.94 637.72 4368.99 9745.8 7336.68 3517.51 1337.43 4921.06 1609.5 3438.08 11715.39 664.52 2337.17 2746.01 559.49 990.09 1188.45 3180.62 2974.3 672.36 2265.69 1686.38 1466.42 2809.6 2913.54 2509.51 2754.18 2757.5 2381.85 1895.08 2671.6 3173.24 Leu-Val-Thr-Leu-Ala 3541.07 1406 1393.45 3429.61 2647.64 899.64 3855.91 7246.21 3849.9 780.71 5219.55 465.06 1548.95 1264.6 1383.15 2992.78 511.25 3385.58 1362.98 1320.15 816.69 3571.64 1532.85 544.98 3873.09 3976.74 859.75 2873.01 816.55 3247.95 1626.59 1168.84 820.8 2191.9 1209.61 2089.28 1452.47 920.9 312.33 1763.64 3996.49 603.89 1168.27 2063.05 3464.38 1387.73 1229.74 1395.08 1225.74 1751.68 3017.62 1696.54 656.3 1187.75 7006.5 1701.62 1958.62 1850.26 2766.7 3736.11 2686.41 642.71 3662.2 1054.52 2404.17 1039.09 762.14 3283.63 2091.93 1196.07 2408.25 832.2 764.1 1139.92 3657.18 2482.61 2114.52 1883.53 2763.67 2398.67 1892.52 2028.81 2424.1 1399.26 Lys-Asp-Pro-Ala-Asp 5295.66 5607.24 4019.63 1692.23 3121.29 1859.69 5025.02 6360.77 2660.89 3855.46 5290.66 4017.78 3333.06 4573.28 4716.73 3872.64 3340.92 513.08 910.17 1300.38 4732.56 1139.87 2937.23 1797.3 2073.89 2494.55 4660.65 4182.03 509.45 1334.63 2870.33 3193.92 709.04 3690.68 4667.23 5484.12 3617.7 3770.71 3865.1 5774.99 4685.66 4796.88 4843.39 3446.38 5545.39 4181.88 4420.69 4716.45 2436.28 2732.46 6238.71 4845.36 3450.41 2333.34 2974.01 4857.88 3304.56 4114.3 4981.18 4182.16 3254.72 2159.22 4480.53 3050.69 4483.63 3452.21 3724.16 3534.3 3292.87 4179.76 3890.19 3965.62 2816.22 2091.24 4225.38 4103.85 4110.54 4209.11 4135.59 4087.07 4082.45 3728.22 4162.26 4172.28 Ser-Ser-Gly-Arg-Ser 4373.27 1830.96 14778.21 20567.02 14486.09 27914.21 19870 13966.54 3895.12 9663.3 1624.9 15399.31 16043.83 15917.3 2842.18 24507.46 16993.59 6382.13 36178.23 12765.8 7352.5 5656.44 11740.35 21160.27 10127.29 15504.06 21330.27 18870.23 6565.47 841.99 8592.73 5633.97 4226.69 24776.49 17467.33 22216.96 6350.45 7740.51 22625.88 15952.09 6236.59 17252.97 18332.37 10946.14 11547.5 13443.51 11260.95 21016.03 2665.84 8578.32 6080.68 9294.99 18586.4 21083.64 8110.52 3023.1 11824.28 11035.54 14944.39 8129.25 14132.52 13147.11 4927.23 23441.74 14478.54 6579.16 3941.17 5867.46 13716.34 3137.81 9760.4 19180.04 16985.47 18582.56 20617.7 13863.22 14332.17 14872.4 14889.78 14195.45 14702.33 14081.9 13220.86 14202.8 Arg-Gln-Tyr-Lys 48511.36 8032.07 12045.37 10396.08 14108.71 9838.39 8558.05 36445.51 129983.52 82731.04 15672.67 5584.61 25899.77 36146.2 37761.28 3336.33 9039.79 109407.54 92392.04 11193.9 129126.07 12364.07 7118.8 28224.61 52824.08 29095.84 4938.59 15800.24 26619.08 7807.5 62051.83 111393.95 14953.68 18835.16 9095.11 38760.04 91953.38 6500.3 12871.93 11791.85 5141.28 118897.03 58578.77 62823.49 227106.03 596.57 37644.03 6571.83 92733.78 136493.16 68270.7 136437.17 87467.69 9465.93 78727.27 45759.7 9536.64 8705.71 68795.27 19132.45 4636.53 20738.8 125280.86 32608.32 18029.75 68131.2 194546.81 28627.82 9310.95 49798.4 19170.79 68791.58 56483.16 7035.58 6854.63 40736.93 42657.13 42588.42 42592.09 43308.36 42000.97 42593.82 42656.28 41895.77 Arg-Glu-Arg-Val-Tyr 1227.05 550.62 13552.2 17621.28 1147.17 33794.8 32548.14 26714.5 53692.66 34383.09 1102.06 1295.71 5449.47 1466.79 768.43 786.25 510.15 912.01 8752.19 1208.06 46516.64 1192.66 747.11 13312.45 711.8 1056 6207.68 15751.24 802.09 482.24 6469.88 24787.93 644.6 43682.41 30237.18 10843.06 40975.89 38308.57 33183 26030.42 60261.18 38576.62 26458.31 24982.75 36760.99 25171.15 11282.65 14852.14 9507.14 7326.41 27159.76 36526.02 24175.57 27899.4 27780.01 31233.79 19611.1 17026.87 27939.98 30429.64 23273.5 31713.86 27382.01 26162.47 18819.15 34252.86 40341.13 19475.16 22360.8 33831.21 39205.26 40584.41 28833.09 26420.06 25912.33 34022.89 34043.8 33351.48 33351.05 33345.8 33719.13 36092.28 34047.09 33410.2 Arg-Tyr-Asn-Glu 24395.06 28985.02 15719.87 13721.31 36052.61 39034.43 24574.96 28889.4 25681.81 24938.06 17819.59 17068.05 19702.03 3063.94 27738.26 23708.41 19397.85 22150.52 2209.2 20423.88 21857.54 21224.88 19679.21 17748.93 36168.58 32147.63 23798.02 24165.61 27643.43 11249.17 23444.64 5644.75 31211.48 22914.38 20334.13 31455.24 32377.85 50263.76 19334.19 15173.36 17813.32 40378.94 21464.89 15947.95 21682.65 17179.25 16544.87 20461.16 13473.61 21673.04 29265.02 28263.29 28868.71 13840.25 24146.55 42423.76 9394.25 14878.28 38656.41 4855.71 20853.39 22826.38 23561.22 17783.79 14764.24 36629.99 18621.24 19683.97 18312.07 37885.92 26625.07 33892.84 17543.4 21057.29 21298.04 24804.85 24899.87 24239.51 24759.03 25713.3 24912.4 22925.51 24862.21 24299.73 Nap-Nap-OH 2713.22 2476.86 6619.24 10291.76 8261.54 6422.01 28141.85 2675.57 911.21 3832.66 4743.58 9313.22 6673.9 6349.38 12256.34 10906.58 4720.84 12578.89 5295.14 4789.47 8005.1 1006.24 7223.77 4299.23 1200.66 2821.42 2367.37 3179.49 6030.74 3169.88 3299.87 4334.09 2035.1 8253.88 4080.27 1578.4 7107.5 1667.07 7542.16 10788.21 3996.38 3701.8 7135.06 5280.63 8500.6 21755.37 11769.3 10314.71 3024.83 6283.1 568.27 11280.78 6258.99 5828.86 11192.81 8589.58 10719.27 10244.12 5596.01 7395.52 4923.37 19589.46 10534.59 11225.25 2151.78 17057.03 5631.57 4729.33 8628.87 12653.19 9084.93 3556.23 14192.75 15329.87 26890.8 8697.86 9282.28 8872.08 8696.96 8761.67 8874.9 8686 8723.79 8184.25 Lys-Asn-Ser-Asp 870.24 731.48 1470.72 1966.94 1914.65 1612.28 3666.05 1622.82 4871.33 726.26 765.66 1592.7 3103.85 871.34 1117.41 636.49 351.49 537.21 625.22 1346.46 3095.64 1172.31 593.71 461.51 1021.17 1132.21 1721.21 1928.78 1388.51 3854.23 519.45 2468.95 893.99 4712.71 2369.37 836.67 806.92 2443.14 2660.09 997.78 859.37 4998.48 1864.29 1042.78 646.22 2982.44 911.88 1405.08 2480.6 2367.16 2252.42 311.45 1756.22 4368.15 674.1 703.09 925.72 1069.65 396.22 656 770.38 1864.2 1058.14 1353.84 438.29 800.33 429.92 1607.82 1258.99 2311.71 710.93 768.99 608.47 2451.45 1429.35 2379.76 2220.19 1334.73 2617.04 2677.78 2512.93 2310.02 2581.11 2218.37 Arg-Leu-Leu-Pro-Ala 328.08 1549.95 346.48 703.52 772.57 1213.69 541.84 1093.23 635.24 491.65 765.65 687.32 829.34 821.41 567 668.3 782 988.16 2305.02 3500.86 796.6 590.06 1347.08 2096.55 566.75 1429.99 354.89 513.55 442.18 950.69 1890.67 752.51 856.79 1272.02 1681.44 1604.67 2308.96 2182.34 1595.64 1597.3 1559.27 1283.22 420.58 710.25 1257.26 1800.73 1033.12 443.01 4028.02 2334.68 2051.06 1424.95 1221.64 481.29 1609.13 649.88 297.83 485.28 2452.78 1645.74 520.29 978.92 643.93 1052.16 871.12 709.1 1013.76 653.01 665.35 1728.21 366.56 893.97 5245.73 23583 5552.77 5230.76 9859.29 5712.69 5852.08 5418.38 6239.31 5650.7 5416.67 5368.9 5081.43 5062.24 4854.31 5230.22 5496.77 5267.1 5783.33 5412.18 5139.69 5681.85 4308.9 5846.1 4194.68 5391.22 5406.66 5796.38 1698.1 1625.92 1982.19 1426.14 1451.85 1472.74 1772.45 1491.44 1495.28 Asp-Asp-Asn-Arg-Glu 6908.36 2316.82 280.41 448.66 575.27 1151.49 1132.66 9566.28 2127.76 1279.72 451.72 4160.75 399.14 1449.86 2315.09 2429.18 1040.8 2922.55 1011.26 7033.08 1158.67 611.59 3576.24 816.05 7960.82 1647.1 2299.71 3144.24 9431.08 1763.81 10073.83 6414.48 499.72 715.25 824.03 12466.8 7997.21 3044.51 909.66 289.44 5680.42 9784.77 1505.08 2540.58 6302.14 604.46 9867.58 2844.88 6085.17 3495.43 1393.33 2263.49 1245.76 1075.3 3907.08 982.8 739.06 689.56 3442.61 908.74 738.37 687.28 1935.79 1006.08 2537.23 3551.7 2079.23 2904.92 1748.43 7203.27 1703.97 1373.12 6609.37 496.38 1678.49 4536.06 4547.22 4566.37 4695.36 4694.31 4711.92 4553.38 4789.4 4704.47 Val-Gln-Phe-Asp 6691.64 1185.22 791.95 318.42 286.07 648.16 1816.15 807.77 1523.49 466.56 675.24 1145.71 1052.49 1039.64 1048.55 1902.92 330.77 982.28 1020.29 8896.07 657.01 2148.96 1144.77 384.83 812.42 1262.32 387.74 1030.25 10136.6 1668.81 4699.52 744.01 1612.82 368.72 910.87 3455.97 366.73 244.81 923.66 928.52 4130.74 837.06 4117.48 2308.04 5660.53 1343.08 3944.91 4967.93 1998.35 7604.11 3331.55 3141.9 2154.78 999.02 2200.49 2912.58 478.47 1689.39 2080.54 581.94 1425.01 364.94 2763.59 2340.3 2386.36 2276.77 2980.48 3803.6 4036.85 475.81 573.95 2932.85 1878.48 1750.1 1419.42 4032.03 3707.65 3901.85 3884.96 3712.82 3471.11 3722.53 2633.24 3910.31 Arg-Ile-Thr-Glu-Ala 18508.04 18978.34 17298.1 19619.97 21291.28 37323.3 21347.09 17197.03 17487.89 18589.35 8811.26 876 499.33 453.04 15268.5 12920.02 8595.81 10731.64 17903.53 17943.03 17683.81 7425.45 10393.9 15377.82 15995.47 18225.94 18820.83 15751.37 1141.28 2663.17 17072.25 11401.92 534.65 20203.05 13680.6 9929.1 14833.71 15574.06 14499.76 10117.53 26442.56 18374.42 11630.71 14229.16 18007.99 12686.34 12549.35 3072.46 3022.89 1635.72 14989.35 17381.04 11104.89 13997.22 11823.8 14472.64 10299.9 10300.36 11046.84 13896.8 13510.38 13342.71 14179.18 12568.12 6040.37 14489.91 23443.49 13989.03 13867.13 18858.52 14683.87 18916.82 13776.43 10191.27 14709.61 19398.66 18221.26 18926.85 18641.16 19050.97 19008.1 18188.28 18180.47 16198.65 Asp-Cys-Arg-Val-Ser 2871.08 3130.82 5110.53 9537.34 15313.47 22185.35 11424.01 12072.59 7658.81 12938.89 10415.51 6988.72 1173.7 9774.61 13495.46 4294.25 4933.39 6229.86 2965.97 5853.68 9047.05 4731.88 10047.57 3906.37 5145.99 10812.46 2125.6 9378.59 8575.87 3512.36 4486.1 7819.38 7743.56 1560.66 5184.31 9006.68 8919.67 18111.95 1197.22 8992.77 7569.99 10786.4 3391.57 4378.39 6976.03 9444.71 5186.19 6115.15 4495.41 6208.68 2967.66 8530.56 1184.26 782.56 8039.9 10697.74 3054.28 906.71 5032.37 14952.72 1791.87 7201.83 10227.08 2186.97 1455.13 7071.11 11593.59 4089.86 3610.88 7693.23 9669.28 11362.37 9120.28 4523.12 3001.08 8446.6 8148.32 5949.58 7663.27 7757.59 7652.47 8159.34 8108.01 7632.79 Thr-Tyr-Asp-Gly-Phe 3193.28 1992.11 2974.31 19707.71 9628.37 32936.55 41816.22 7036.8 1508.47 16255.74 41897.9 1139.8 49979.9 1285.84 7034.48 137245.51 103498.62 15651.2 28335.46 14047.97 10114.21 29525.34 40187.1 32363.94 1899.34 12077.24 67358.48 38883.87 15355.11 23150.95 3114.02 47916.43 46535.02 87369.63 43667.93 10481.74 7254.26 11224.83 14177.7 24393.64 8461.31 16842.13 25123.68 18963.93 14482.93 29520.8 11667.34 31071.88 47948.62 79447.87 5363.61 14231.74 14533.53 70084.43 7651.62 12904.36 41455.12 17003.34 19945.58 23829.61 28962.33 16582.23 6330.43 39357.62 23698.46 10879.59 15045.63 30452.46 34248.88 12288.35 18287.48 43024.67 25437.08 60732.14 56948.95 20089.24 21480.63 20182.21 22256.57 20065.33 21347.61 20591.96 20459.1 21423.71 Ile-Thr-Ser-Arg-Glu 14369.16 10262.39 4470.99 3429.09 17263.37 1129.09 12153.82 10836.09 14124.13 5243.28 2806.46 6930.67 1652.99 11216.01 12881.5 13924.22 2302.06 27933.34 10824.54 21169.31 5365.25 1312.95 1413.53 5848.84 1745.87 21180.38 6511.83 1408.24 17153.1 6009.14 26002.43 3017.81 2313.63 5328.2 4570.82 1282.96 12781.5 32679.62 938.35 9222.07 551.02 10928.79 1713.87 2021.8 6200.89 7919.05 3052.6 1668.66 6579.28 15428.74 8754.81 20930.57 9550.32 13189.34 12464.62 17529.42 5135.15 9707.78 17003.82 20426.82 6249.77 9323.16 14900.4 7648.8 1864.14 18693.97 19164.58 1882.27 6925.43 19394.07 10407.83 6995.7 2280.05 6856.43 14159.63 7993.24 7997.7 8606.25 6359.73 7289.15 7064.94 7385.83 7363.86 7624.29 Thr-Cys-Tyr-Thr-Tyr 2064.52 710.58 457.15 165.82 230.66 60110.54 4086.48 752.06 975.96 10920.48 336.18 389.77 220.97 634.94 1229.97 229.94 157.66 789.98 849 947.32 388.79 11764.42 1699.41 303.43 1480.04 14427.66 145.91 242.24 695.67 163.24 715.85 236.91 4769.34 1916.4 482.84 287.8 1038.17 16832.24 203.52 529.78 571.25 761.29 539.78 550.66 844.09 172.66 1623.61 663.28 378.03 161.48 3646.08 405.14 261.71 588.26 1642.13 188.31 125.4 604.6 1064.75 32323.63 286 311.49 549.46 606.97 780.07 2082.91 1163.91 114.19 176.39 1212.73 781.97 6732.95 433.27 529.95 321.08 2859.64 3530.82 3550.34 3355.28 3372.73 3479.39 3394.43 3541.5 3957.12 Arg-Tyr-Val-Lys 1976.79 198.04 2552.63 1672.56 3300.61 2169.84 6993.04 378.17 151 1468 1264.94 1592.28 2422.82 2055.8 1332.48 1514.52 1285.38 1111.33 1712.33 1027.16 212.96 1031.07 410.79 1349.29 1463.89 1033.14 1653.55 1819.72 1426.28 3131.52 1314.55 4183.03 1146.27 3802.25 1511.3 5871.18 2778.8 4669.16 3349.71 1668.61 2417.82 5529.01 1839.72 1707.32 3321.78 1645.41 947.77 3719.97 4342.79 5525.47 3901.59 3809.6 2624.42 3452.25 3181.81 3496.72 2774.95 1983.97 3525.6 4462.59 2902.99 2765.26 2987.57 2862.18 1368.59 4206.27 2156.97 2772.25 3298.03 3713.73 2103.14 2608.3 2837.87 2814.98 4790 2020.53 6589.86 3836.78 3670.55 3453.0 1632.69 2681.14 2828.01 1614.97 1583.31 2981.16 3027.5 695.97 2908.62 1090.12 734.04 3809.12 1560.76 3352.67 2552.38 2487.73 2867.15 1755.92 1662.49 1244.8 8645.73 8626.08 8976.15 9037.79 9033.63 9032.57 9047.22 8622.23 8789.67 Val-Arg-Glu-Glu 3259.88 9889.66 9640.11 14872.2 8841.95 17605.83 3962.78 7757.51 14858.11 16236.09 11469.83 8768.83 8868.98 5889.48 9919.41 5966.52 17577.7 3805.69 18608.07 8593.41 12174.79 12384.72 6597.36 3095.92 14235.05 1639.7 15620.25 4713.55 1154.95 13787.01 8684.52 16319.82 8526.54 5185.34 2208.21 11261.6 19299.86 16450.81 9223.49 4590.81 7740.65 14930.49 9621.94 8133.82 8860.52 16490.83 10050.91 9958.33 861.96 13691.56 15874.79 14653.2 7580.44 11484.07 11585.2 17115.24 3613.42 6211.94 7983.04 11284.73 9408.01 16924.37 8567.93 14318.38 5424.14 8005.03 15747.15 12886.16 4441.1 5613.2 5984.62 11433.27 12923.86 25516.98 2616.01 10169.09 10582.63 7995.68 10096.7 9513.12 10882.06 10577.49 10251.5 11099.93 Ala-Ala-Leu-Arg-Ala 14375.35 12861.12 11933.45 13693.53 11178.41 16137.66 22167.87 25150.59 13098.89 12304.76 17584.02 10154.33 10881.41 14578.73 12577.48 12673.07 11666.3 9117.65 14336.85 12410.33 9747.04 10133.54 9958.65 13141.27 13713.08 13456 13361.15 12239.48 13870.62 13194.97 14354.87 13960.11 1098.78 14072.66 13307.76 16102.73 14223.2 14703.66 11541.9 13173.14 12051.51 17546.83 12625.99 12459.24 14562.28 12922.03 12627.55 12945.49 10988.91 16300.94 12554.14 13480.55 14026.7 14784.87 17881.74 11874.3 11501.02 13140.28 16422.52 13443.49 13615.69 11740.75 14484.89 13892 13926.66 13772.68 14546.5 14000.49 11905.43 15509.51 13254.61 13244.68 15615.82 13158.38 12562.61 7819.38 19396.41 7044.58 7570.26 7524.77 7445.56 7440.17 7069.87 7451.11 7023.46 9049.23 7059.72 7636.9 7226.89 7524.39 9000.27 7957.1 6988.26 6716.07 7049.99 8142.42 6804.6 7488.68 7592.66 7725.0 14627 14464.29 14204.11 14524 15282.05 14438.14 14297.79 14674.78 13742.19 Thr Tyr 79036.67 72373.07 82433.47 51515.62 78559.04 39165 4651.83 118794.68 104482.26 99331.64 83159.2 43074.25 38333.66 66464.88 18369.32 65898.52 101139.16 99310.5 48316.5 53201.7 94738.3 98789.12 78392.57 52170.18 40954.66 90767.99 83328.16 79848.09 47942.72 58103.13 88194.95 41619.04 111278.57 60787.32 85132.26 78026 101877.23 105810.79 75814.93 89568.8 75892.23 71807.22 73777.6 71607.51 85279.54 57781.31 91782.1 73941.62 77146.4 58789.01 87217.92 88902.33 84656.03 55660.28 65484 58595 76812.55 86926.49 93965.64 91225.97 80209.5 75785.92 101508.85 94176.24 112355.23 76476.77 104414.83 73657.58 77325.98 101637.23 127469.61 85452.33 108540.37 94243.29 74852.23 95268.29 100070.38 94025.47 93488.84 93823.21 94140.71 95307.27 94716.6 95746.15 17-phenoxy trinor Prostaglandin F2 isopropyl ester 20243.51 2222.62 617.11 3085.42 5616.12 2920.91 6377.16 39297.54 15283.72 10882.1 658.88 7639.28 19052.14 1017.04 4098.71 797.56 5435.79 28099.3 2079.68 1276.36 2839.74 1576.59 12806.04 1095.78 26369.31 4185.32 22674.18 19529.39 30017.92 3499.25 868.29 111077.51 1177.95 15063.63 10626.2 42219.87 23375.21 4198.6 13649.1 6625.93 8387.74 36207.15 18517.04 5566.61 23883.77 10319.44 26280.6 21942.2 46216.33 43478.74 34719.18 18140.44 24740.76 35063.57 18848.96 7642.07 7123.43 2896.59 27193.18 3365.52 34701.1 14273.43 20240.6 20369.9 8134.86 12366.17 6260.51 13791.31 12082.41 40780.59 15262.74 16014.26 17944.61 19803.78 18594.15 16406.47 16709.86 16709.91 14887.66 16022.64 16367.19 17296.24 17096.13 15852.85 13-OxoODE 3534.86 1432.08 15244.16 40077.58 137652.23 223475.61 181362.19 1714.04 3456.59 3873.19 4198.79 12924.4 18211.8 12589.23 2565.51 2396.9 3366.43 3471.8 22329.56 2812.08 4689.55 12516.37 9945.33 15152.48 2615.58 631.62 1963.65 1988.79 3286.33 1346.51 2977.05 7563.52 518.74 9096.43 4690.74 5407.14 4384.31 10293.36 12562.06 4910.96 57767.32 20547.49 10329.66 3502.71 13154.04 34834.79 5789.83 20616.41 4110.48 15907.81 18652.68 10149.03 5532.34 3381.71 4119.28 12652.64 9968.67 3297.64 2716.82 10155.47 4189.93 4810.9 5154.21 14530.18 2741.18 21873.32 12183.17 1379.93 1882.6 3924.52 3854.81 4728.98 4530.74 10310.92 7907.34 17849.71 18858.39 12760.49 17848.43 19841.84 15650.99 18992.9 18101.38 23001.81 HPF 1526.33 16249.75 3174.69 7422.18 4548.65 1739.81 4600.6 475.73 1194.96 9131.75 1938.57 2334.59 7096.21 976.2 880.16 1635.15 6161.12 844.8 3641.6 917.89 1526.1 4278.7 7243.61 368.61 1209.69 746.05 4193.36 651.94 856.37 416.58 479.92 4420.22 2794.79 9002.4 7313.59 1419.06 2812.07 420.37 1335.41 5764.05 4699.74 1869.7 4369.94 1340.09 410.39 1101.4 1251.91 5291.79 1645.98 2323.45 420.47 19407.06 5652.74 5274.61 1585.51 8806.8 2729.99 4328.29 670.21 5258.19 5907.38 16452.95 1701.66 4576.5 1298.17 2376.81 523.67 2327.9 1375.04 462.12 2080.32 15172.32 632.77 8728.36 1599.71 702190.37 457810.2 391401.15 218178.34 337645.65 596923.8 370422.49 272847.74 473816.89 1221826.78 310619.31 603093.49 735458.11 813140.53 131386.47 641342.57 743291.69 1029165.45 984659.72 135641.78 787176.45 904374.61 329442.57 641838.0 528364.95 3793.62 3880.46 3796.59 3731.84 3446.93 3559.48 3663.62 3675.16 3864.64 Val-Ala-Phe-Asp 1432.97 4198.43 1537.66 2455.47 2376.06 11566.75 5616.57 4342.72 2126.29 4095.32 8403.35 2622.39 2176.54 1210.01 7734.75 66226.01 17841.38 4294.74 2774.65 3911.61 4561.08 2111.7 3192.86 1440.4 4146.8 2170.84 8833.47 1287.25 5220.92 2091.74 4049.1 2186.59 4201.04 5034.48 4353.73 9438.25 3293.98 11942.14 3307.36 6116.01 6721.48 5160.05 3579.78 5914.65 7863 5898.33 12146.29 1859.73 3987.52 2792.23 13170.7 4978.47 2759.47 9474.47 3271.84 7021.05 11620.86 6037.5 4256.76 4251.94 14144.47 2081.2 1342.96 5679.99 2490.1 4421.33 6241.08 3536.78 4323.16 771 5338.35 5664 4141.72 4655.05 1320.11 4328.62 4638.67 4754.28 4710.39 4213.53 4339.67 3947.13 4170.07 4590.59 HoPhe-Lys-OH 1474.97 641.74 459.72 1507.64 5120.75 509.22 3221.32 3790.77 3130.48 2676.02 2456.43 4742.04 5686.38 1674.82 1589.08 1416.48 3009.78 620.6 2498.29 2743.06 1013.41 696.85 2176.42 649.75 719.87 2149.24 1089.16 2423.88 1163.22 1746.5 894.19 1383.96 1887.98 4262.35 3263.71 2390.54 3673.34 2593.91 3004.27 1174.21 2138.79 9821.6 3405.56 3604.47 7005.81 5173.32 3443.93 1756.87 3176.23 7065.81 11968.53 3100.09 4919.17 5303.21 6307.97 4002.26 2362.4 2746.63 3164.49 4077.97 2720.58 3389.78 6392.61 4667.61 2643.1 5606.55 1870.14 2975.43 6393.43 3185.68 2065.7 5318.52 2899.43 3610.5 2450.06 4006.13 3995.94 3857.31 3903.61 4105.35 4164.48 3275.02 4096.68 3915.74 1-O-Hexadecyl-2-deoxy-2-thio-R-(heptanoyl)-sn-glyceryl-3-phosphocholine 5759.96 13010.28 2879.93 10778.62 5636.7 5022.26 5433.65 7808.74 5903.8 1937.22 6459.32 11623.11 4573.44 5088.53 1477.91 2325.73 14173.48 12005.83 5017.52 7181.06 1346.58 2506.95 1940.97 630.04 3999.97 9473.62 1455.56 2922.63 1305.92 5416.62 11617.82 10258.72 458.46 6625.74 7074.09 3802.24 4764.73 5065.9 2308.93 17204.76 3903 12381.93 8816.56 11546.22 1974.14 6997.17 10318.64 17104.24 6951.84 17884.02 6247.82 1339.25 6304.29 13210 3298.99 12810.56 7811.83 14596.29 8817.47 5943.24 7046.97 4821.44 7651.7 9904.56 12612.03 6122.61 12631.07 5151.71 8447.54 8763.2 12602.23 8028.1 7358.26 5850.86 28389.43 9738.86 9014.71 9096.16 9030.67 9414.46 9446.1 8835.14 9010.79 8938.54 Leu-Leu-Ser-Pro-Tyr 42049.92 7927.02 8018.83 4580.09 16391.58 11957.2 7165.29 34884.35 110841.39 64708.21 13931.43 28714.53 12682.82 35067.05 41449.47 5521.88 9037.46 123036.74 91228.46 12333.96 117182.54 10500.6 5553.39 20090.95 40896.95 22602.69 3834.34 11792.06 25631.14 7590.55 58995.14 98315.19 17193.31 17163.9 7239.33 32096.56 65909.53 5530.18 9611.93 10178.67 5080.61 98020.07 48302.94 53282.83 189417.27 15764.17 33996.21 7035.03 63630.9 99846.98 60805.64 126339.65 75326.88 9762.33 76662.71 46348.03 3516.78 8449.71 66732.58 16967.24 3993.88 11223.25 116849.46 31846.4 16510.61 67975.06 182099.4 24335.29 8933.57 46395.52 18083.91 57436.34 44874.95 6403.91 6170.21 38666.56 39490.64 40799.85 40787.73 41441.72 40089.02 40609.45 41304.75 40034.47 Ser-Glu-Lys-Ile-Asp 20582.85 957.91 7017.19 559.58 1274.06 490.95 6232.62 1850.89 2522 19468.24 13441.53 480.84 5626.31 8721.26 8716.98 1393.01 6190.35 1653.97 1744.92 4311.57 9411.14 846.41 8493.17 12406.5 811.26 723.05 599.45 14643.73 3777.34 512.42 2254.5 3156.47 1300.55 23907.95 16966.97 7927.93 4814.15 16441.1 9270.52 13628.53 7679.36 7985.15 13163.08 14069.57 11210.14 10815.71 5517.68 3645.48 34356.87 3724.19 53263.02 6879.82 9911.29 15250.28 41967.33 12277.05 1088.62 6311.15 6778.44 5493.78 13701.05 9029.39 22889.49 6621.8 4208 18960.78 12253.71 18858.66 8232.66 4943.4 2441.19 31233.36 7973.07 10413.52 19854.06 8757.25 9081.5 7069.96 8832.43 8732.27 8990.17 9460.15 9066.33 8807.71 Val-Thr-Phe-Glu-Ser 6676.37 13799.04 8645.03 6737.34 1480.89 2036.17 1846.38 4410.14 2213.3 7236.49 6884.24 3278.61 8977.49 7530.8 14114.58 10676.44 7614.36 12940.99 1086.42 3598.91 7994.56 15094.53 619.06 7743.94 2651.16 13723.17 8557.05 9179.33 17089.6 8064.35 7846.87 3601.64 6837.18 12701.18 8729.05 13970.37 14358.61 12965.99 8795.52 7922.17 6745.78 16706.7 7758.13 7504.21 12255.2 7958.43 7408.77 10465.39 3589.05 7455.93 9747.05 11266.66 9569.03 10723.28 10116.58 4746.29 1696.08 5964.51 11995.32 28688.92 7974.81 7563.22 12112.71 11112.54 6152.3 13473.96 6090.45 9310.72 7301.33 13017.61 8431.34 5612.16 11279.19 12163.45 9585.07 2809.31 1944.59 2408.39 2409.4 2806.3 2270.3 2534.39 2799.08 2153.25 2467.9 2067.24 2547.19 2392.96 2485.94 2263.76 3069.42 3122.72 2403.07 2334.61 2718.26 2274.51 3202.35 2319.01 2197.66 2033.4 11200.74 11008.86 10989.74 10990.89 11151.01 11083.85 11210.51 10996.28 11507.28 Ala-Thr-Ile-Lys 5083.76 4590.3 4094 5266.97 5254.23 550215.81 182791.73 6755.23 4456.74 5127.94 3743.4 3239.23 16132.44 4393.03 4313.35 4293.4 3723.55 4284.02 4668.17 5471.05 4173.02 2512.18 2552.49 4471.56 5291.93 5429.14 4419.03 4784.59 8004.87 5450.65 4523.62 167507.21 3008.12 5634.92 5294.62 6875.34 5109.01 4564.17 4236.49 4337.67 22056.15 5507.16 3867.42 4509.99 5077.34 10071.71 5716.31 4472.19 4434.76 5848.05 5069.03 4245.44 3824.02 5192.91 4701.3 4027.09 4040.65 3355.17 3957.26 4979.04 3679.69 3643.59 3791.9 4013.3 3381.7 4491.69 4685.4 3918.26 4444.03 4387.54 4382.95 4684.88 3990.76 4644.71 6650.29 5004.35 13354.46 5978.94 5285.53 5452.6 5194.52 4820.93 5170.59 5708.75 4756.25 7396.17 5388.97 4332.84 5134.69 5454.22 5543.07 5454.69 5468.4 4954.15 5573.05 6213.17 4688.42 4513.25 5204.61 4553.53 23989.31 23989.53 24378.37 23911.91 23679.62 23882.97 23951.78 23943.32 23951.41 Phe-Leu-Gln-Lys 45125.05 22361.39 2717.79 2243.05 19495.91 14155.15 2787.03 52456.55 47321.86 34570.26 13363.89 39883.7 9901.22 25349.58 54717.28 18901.18 4936.09 120853.02 130520.9 54491.9 77552.25 43575.01 19352.08 35477.71 98350.78 45154.12 7004.35 23188.69 58092.44 50572.02 21594.18 233407.35 35462.06 36299.51 7832.88 68443.04 72028.46 17979.11 20208.64 2019.45 17174.11 102539.45 48845.97 16297.72 139187.6 12687.34 64404.61 66253.16 94620.12 66840.59 48427.07 50027.46 39878.94 9154.89 44931.53 46732.52 1620.17 12174.02 72228.18 2878.83 7097.94 5225.31 55305.33 33646.39 16657.62 56790.5 56343.01 15994.38 14459.71 67918.26 21001.2 43874.57 28621.92 12159.6 6685.6 31214.86 31282.76 29179.21 31068.27 22141.44 31073.19 33768.99 25788.82 30843.42 Lys-Leu-Thr-Ala-Ala 15154.86 9854.93 10311.79 1222.72 10450.1 13577.95 9096.53 22326.53 11638.6 7111.09 2578.92 3958.7 4757.57 3497.68 10740.7 3479.14 6258.98 9513.33 12497.78 6580.88 4500.41 2616.24 2160.67 13668.01 3970.44 2829.87 4074.31 3983.6 19858.62 4745.1 3341.84 5510.08 1812.93 10918.58 14298.65 9994.23 3001.43 5958.5 14577.61 12392.06 5917.99 5293.79 8000.36 6589.4 6102.52 9088.03 8580.47 5715.11 4820.7 6155.46 10723.99 4383.79 3178.6 5920.17 13125.53 14461.61 4603.08 2631.58 14303.69 9798.51 2148.79 1180.84 6210.48 12711.72 6235.59 7467.86 4282.13 1547.02 8416.37 13556.96 5853.15 3466.54 3811.79 2429.95 2456.67 8293.49 8179.63 8538.9 6376.7 8387.21 6237.28 7382.23 8173.75 9538.19 1-Stearoyl-2-Oleoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] 4.28 4.29 271.73 152.28 4.29 4.29 110.11 4.29 4.25 142.91 4.29 4.3 4.29 4.29 4.29 4.29 4.32 4.29 4.29 4.29 21.45 4.29 4.29 4.32 4.29 4.29 102.75 4.29 4.29 4.29 4.29 4.29 4.29 180.67 4.17 4.29 4.28 4.29 49.19 4.69 4.29 28.62 129.46 38.88 4.29 4.29 26.13 212.4 33.16 146.33 41.39 41.93 132.43 103.67 4.29 38.57 264.15 71.69 4.31 135.53 40.58 135.8 4.29 89.9 4.36 4.29 40.37 77.15 28.12 4.3 4.29 430.61 4.29 111.7 408.22 94.71 95.11 89.31 100.61 99.46 103.53 114.26 99.43 103.16 Boc-Pro-DVal(NMe)-Val-OMe 1084.8 8941.11 2146.5 6043.31 11037.67 13951.72 3110.29 6174.09 11908.15 5510.82 4196.44 13642.4 8797.93 8225.71 10962.47 9059.79 4557.31 16689.17 8851.72 27821.86 13160.35 9071.78 5431.83 7113.66 772.35 8267.16 5118.37 6773.28 18214.66 5058.08 15262.56 12441.66 5901.24 3364.54 7464.06 7607.64 3694.57 6741.78 4987.08 5034.43 23775.94 15539.92 9736.21 928.16 17509.6 3042 15960.92 13687.58 2839.45 16242.61 1232.8 2971.49 7118.97 6191.01 3141.01 10324.46 2816.67 2433.54 3579.56 8326.63 5005.2 3117.49 2441.52 5690.67 4085.75 5873.28 33806.58 5163.75 6777.04 6206.02 7340.02 5890.61 4650.64 7607.39 6150.81 9388.96 9505.43 9605.55 9608.47 9605.49 9610.88 9668.23 9389.51 9504.28 Ile-Glu-Arg-Asp-Phe 4498.37 4781.96 1752.42 1791.22 1619.33 3198.25 898.75 1655.64 3872.38 2829.93 2003.64 4892.35 1972.74 3492.31 5517.96 1992.27 1738.26 7695.68 4693.46 4183.4 3814.54 2291.77 1790.68 2415.43 2942.8 2472.79 2207.72 3226.59 7665.69 2864.17 3155.86 564.62 2530.97 930.62 2004.36 7219.66 4074.34 1975.53 1681.33 1991.47 2976.75 3783.15 1041.66 1720.31 4869.2 2271.65 4737.34 2536.51 1126.3 3888.81 2541.58 3205.39 2168.91 3414.44 2749.52 5543.76 1476.55 1124.05 2830.64 1987.91 493.33 3042.1 3029.03 849.41 3404.01 5637.44 4637.17 5043.47 2210.91 1808.99 2879.22 2555.03 2352.93 1359 2085.74 2960.76 3410.06 3284.92 3157.39 3185.51 3159.36 3249.16 3168.78 3246.74 Lys-Val-Asn-Glu 6459.39 8350.63 29359.37 44985.76 7857.3 14160.93 22677.53 4923.79 11467.86 9697.36 24745.53 15282.8 16709.14 20951.81 6974.9 34631.46 21765.86 959.38 17461.87 20710.78 1015.1 8784.18 15477.71 18835.59 5836.48 8886.81 11896.04 14209.36 8444.72 1340.76 11547.39 13477.61 7954.42 24265.9 22201.23 4568.41 10731.7 2801.12 19562.29 21817.07 11728.48 14765.88 43588.16 19340.27 12528.33 27767.81 7913.47 51494.77 13057.13 32830.71 9555.5 6542.96 28029.72 46683.61 2015.5 15291.29 23695.58 13827.02 6599.03 7939.12 16416.18 17082.38 7874.35 35085.22 27879.7 14013.68 14192.12 6676.49 19313.66 4556.21 12578.09 21314.44 35357.99 35697.55 11517.43 19052.02 18770.04 18537.76 19067.31 19609.66 19542.37 19275.68 19546.22 19049.68 (3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone 180.22 914.29 1500.72 5316.34 16013.94 10032.17 9965.26 317.6 144.55 302.67 681.57 324.7 2139.59 1151.17 726.3 1334.17 132.83 642.96 880.46 727.17 283.97 1923.39 773.23 855.59 191.67 685.85 547.11 208.49 168.67 566.48 853.03 208.65 632.7 147.43 781.97 765.33 175.39 270.16 159.63 544.04 6909.38 2617.68 584.16 225.21 875.61 4810.42 711.43 191.14 507.78 490.46 492.97 245.52 345.69 1936.11 3471.05 158.66 966.78 809.8 696.66 1343.13 716.35 649.09 498.61 163.13 605.16 1278.13 161.32 190.52 292.33 594.33 698.32 318.02 198.44 292.11 1621.33 2743.16 2582.9 2854.27 2738.07 2316.23 2617.21 2758.96 2608.04 2586.99 Ser-His-Phe-Lys 2612.69 6473.59 653.27 2209.39 10800.63 9374.94 5520.33 5732.69 10712.57 2762.26 1023.22 10081.41 2809.15 773.7 1773.12 1603.6 450.75 3137.7 3266.2 1895.37 5673.84 3256.59 898.94 4568.85 2596.05 7732.06 4869.01 5318.65 3172.68 931.24 14429.28 1263.81 2974.66 5207.82 4086.64 9140.44 10743.19 6208.59 3589.73 4742.41 17306.55 14724.69 3949.72 3661.18 10143.94 1771.63 10585.96 8073.63 8744.83 8445.39 2522.12 6052.32 5888.15 5083.23 6619.28 6636.88 985.46 1393.89 4556.42 1148.58 4797.85 4026.39 6195.8 5136.6 5182.69 9291.5 16722.64 4563.26 4981.5 2221.55 5341.85 6269.83 2642.15 4450.56 4313.18 6991.33 7284.66 6840.66 6905.07 7173.95 5776.02 7315.88 6803.9 6724.78 Lys-Asn-Lys-Glu-Ser 702.58 249.4 765.98 347.87 3257.8 1393.36 1003.22 1336.67 887.82 1607.47 424.03 762.51 1909.86 330.23 452.5 1135.52 723.7 511.68 889.21 2349.52 1498.89 1174.16 968.93 303.24 269.45 1238.6 1717.33 881.33 3317 354.94 646.4 434.32 513.42 1327.14 1161.8 1288.25 1282.57 1163 1443.57 1109.8 1405.41 1063.86 1207.6 970.08 729.39 1605.24 1848.14 1441.65 1502.15 1832.03 1181.44 972.2 890.64 1155.95 983.63 615.53 1031.23 614.57 1028.24 565.7 814.72 645.27 571.05 1047.02 893.52 614.55 1389.89 889.16 642.5 918.81 945.55 990.7 949.74 1842.56 1061.24 3125.28 3040.84 3053.64 3080.77 3041.13 3039.37 3109.17 3045.68 3115.49 Pro-Tyr-Pro-Arg-Ser 956.5 7081.99 10314.97 8772.64 11252.16 4790.57 2730.65 8705.53 2650.12 17638.88 9210.78 10071.38 4701.05 2624.15 5594.97 4935.84 2086.27 4736.44 35876.99 5082.83 8325.36 12043.68 2245.83 7305.03 9264.68 6286.7 11215.47 6584.54 8068.46 899.65 4671.19 6274.38 4141.53 22912.64 11459.73 5876.81 12363.52 54375.26 28791.39 15092.91 2808.32 17221.24 21574.11 12074.25 13582.23 7736.25 8869.49 21093.28 15902.78 22635.12 17763.58 6272.38 7369.55 9477.15 1995.25 34204.18 5871.09 13211.04 6284.13 5313.9 16387.59 12740 24463.14 13493.14 17807.9 9117.21 37952.23 11530.23 9303.03 16489.67 13113.34 20559.41 19431.16 14712.19 12090.59 16115.22 16080.2 16302.24 14907.32 16244.74 15223.33 16108.75 10156.04 15693.06 Leu-Gln-Lys-Ser-Leu 1135.73 1271.06 1673.97 1325.24 1743.1 1599.3 2842.94 1554.52 2239.29 1147.23 1231.43 3315.65 3203.84 1037.21 2096.09 2265.71 1428.59 2543.54 2387.72 2267.97 1212.49 1501.98 1129.49 4731.14 1368.04 697.69 1176.99 1603.98 2227.13 1834.07 1288.68 962.38 739.34 885.47 828.02 3923.35 2425.26 1654 2635.66 2822.65 7184.73 1833.53 1208.6 1772.44 1694.75 12342.55 926.58 2591.21 4032.24 4086.98 1937.84 4748.17 3172.51 1761.43 1783.9 2398.44 1572.54 2338.3 1390.63 1495.85 4687.79 3606.07 1494.1 6329.13 3706.2 771.32 2124.34 3559.89 2331.45 2102.91 707.02 3450.7 958.98 1570.89 597.12 2112.12 2322.56 2559.11 1960.37 1676.07 2427.68 2039.24 1907.89 2704.78 Leu-Asn-Ile-Leu-Thr 13608.01 8034.11 5778.38 6165.86 21374.63 14725.5 7051.47 11209.72 12131.9 12518.04 6591.81 8660.63 11027.41 6376.84 8556.53 6670.03 5068.78 9440.3 8413.73 13713.53 22233.29 6859.13 15798.39 7062.02 10991.8 10941.77 7450.47 8610.61 11717.9 2941.25 9190.77 9914.41 1437.93 9895.08 5780.13 13721.3 9037.42 6507.59 4264.62 5804.73 13750.3 16353.46 9893.89 6223.07 10283.26 7984.4 11970.62 8438.1 3439.05 10437.3 11066.96 7466.08 6729.83 11213.09 5582.42 9067.56 4573.72 5306.64 9029.42 5554.45 4807.14 4545.65 10383.45 5177.52 6038.9 10150.01 8795.23 6281.91 4900.76 10247.38 9876.72 7847.3 3724.05 5367.19 6346.38 9857.58 9443.72 9392.48 9364.64 9349.46 10138.38 9909.29 9837.65 11260.66 Asp-Ile-Tyr-Asp 1939.26 1799.91 6681.67 1196.26 2945.14 1868.82 1432.47 2349.19 2143.08 1905.89 1841.24 2211.73 10040.07 736.39 1622.13 4941 3042.24 1113.38 3500.1 1326.25 1353.37 5142.35 7362.87 10193.35 2358.69 3861.02 2097.82 2570.48 1514.24 1197.03 1038.04 3132.6 996.9 11333.65 3553.18 2613.21 2046.8 1871.3 12809.35 1244.91 1026.69 2110.08 3813.15 4271.84 2757.8 10359.65 2876.64 1865.05 7048.11 1716.57 20447.59 1427.44 9799.38 1684.44 10003.39 2174.59 1023.86 1379.81 897.1 2131.75 4724.29 4469.79 3041.19 3692.69 1907.45 3957.28 1372.13 1774.54 2701.85 2899.23 7386.42 4385.97 7256.08 2912.05 9223.81 4364.66 3627 3611.91 3626.78 3290.46 3198.63 3060.69 3612.38 2559.48 Leu-Thr-Phe-Gln-Met 10921.23 1736.31 1546.22 1048.66 35681.95 43240.33 76969.14 13370.5 7461.27 9771.32 5248.29 9363.96 12134.97 8750.55 16127.92 9253.25 4139.82 62689.37 36080.42 7446.51 10874.3 12660.3 1688.28 4203.46 18327.05 2275.56 6908.32 3884.47 12399.93 12005.22 2574.68 50824.32 15231.02 1749.31 656.52 22858.36 26392.64 2652.49 733.89 872.04 18288.33 20125.33 9035.93 768.05 28474.52 23421.15 10847.54 6697.78 14353.91 18452.95 19913.38 10625.4 1628.42 2009.52 13017.77 14396.15 554.37 5084.54 29369.59 1638.8 5853.23 1227.37 11164.69 6966.89 7577.34 6085.68 5713.98 2904.91 1174.25 23065.31 10507.34 1313.4 8443.94 8236.73 1008.36 14328.54 14643.21 14589.9 14711.86 14905.12 14601.58 16530.11 13284.11 14232.06 Lys-Ile-Glu-Arg 16572.91 11773.63 15253.59 15315.63 13818.25 18917.3 22681 29047.51 15755.25 14697.77 19425.27 11305.77 11949.59 14740.5 14145.4 15574.11 13288 16280.34 17692.35 17009.23 17059.44 10557.15 10176.96 15178.55 16320.86 18074.98 14902.79 14323.63 13377.8 12939.12 16372.91 20574.28 10121.92 16784.36 14990.02 13140.9 6809.9 11632.96 13357.21 13261.94 15648.56 7486.96 11664.57 13891.55 14689.76 13454.09 14041.87 14042.38 17394.59 20742.64 17304.02 16440.15 14783.1 19462.33 18283.26 13363.93 13526.5 13771.36 15263.45 13666.21 13406.38 13645.35 15516.65 16379.06 12642.06 17682.82 17162.91 15194.14 14164.04 14454.12 11421.57 17363.91 14811.92 9081.96 15580.16 8549.0 19360.05 7191.08 8412.76 7786.87 7808.59 8437.47 7815.48 7306.42 7375.51 9781.01 7984.5 7217.38 7931.2 7409.14 9487.28 7602.76 7467.03 7452.24 7884.8 7563.86 7675.96 7537.58 7886.01 7714.64 16279.82 16267.03 15950.41 16128.64 16264.39 15940.07 16255.99 15201.52 17123.83 Asp-Thr-Gln-Arg 1072.99 4948.71 13129.41 1031.76 1821.21 7990.82 13049.21 6870.29 1573.77 5679.02 6692.78 2536.08 1098.72 3357.48 8672.4 10926.69 11689.73 11626.38 4000.57 3396.19 2777.52 1595.95 6006.93 8225.82 695.36 8679.87 8261.62 698.8 3792.28 774.2 1411.32 4804.55 3126.69 7792.31 19066.43 4705.84 3579.76 7043.33 3465.67 15956.62 851.97 3612.21 14221.5 12950.68 2574.44 7932.52 4700.04 11883.77 2403.48 8076.6 4104.38 3168.09 10411.59 4203.42 1500.88 11191.53 29274.3 17391.42 3056.87 13349.11 22162.24 10740.46 4724.68 21493.54 9112.82 2076.33 3065.97 5794.95 10569.75 3385.04 4601.81 10819.3 11747.46 21094.68 11566.5 8485.05 7918.95 8205.4 7399.93 9157.31 8468.92 8900.25 8220.92 8492.05 7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine 1100.45 571.23 3531.46 5042.1 846.53 619.33 3233.98 1948.77 1739.97 509.65 435.24 5232.04 7741.81 345.13 1848.77 3145.9 1329.72 2119.16 1195.51 4190.08 572 809.2 4394.02 394.61 549.99 1537.31 775.77 7386.14 785.09 307.23 3455.59 621.6 278.5 7963.64 1193.32 1874.37 964.29 1029.83 1697.05 1431.67 18697.79 2474.62 899.08 384.26 2117.14 4851.6 817.51 2069.8 624.23 1217.17 793.99 1702.12 785.9 10880.23 769.23 1922.82 581.71 310.83 1219.64 5454.29 558.04 3726.77 889.08 2729.89 1544.36 2415.17 5997.32 4849.2 703.94 2032.47 1211.17 809.62 911.01 3464.04 10402.26 8715.34 6489.37 10400.11 8522.41 6748.44 4346.44 3597.07 10070.91 9311.1 798.48 4286.75 3133.17 9086.85 892.96 4335.6 3201.56 12564.85 5059.57 3391.22 6954.06 2373.39 3522.13 6208.07 17604.32 2875.62 3109.43 3043.8 3008 2960.42 2810.24 3041.73 2810.63 2323.89 Asn-Val-Lys-Ala-Lys 16147.37 8840.14 12149.38 12851.06 21192.71 14478.87 22542.99 26683.35 13738.3 14235.36 16597.62 10621.28 11203.13 641.38 9642.49 13516.99 7861.99 967.88 13373.54 6246.37 16671.14 2438.16 8496.81 12376.08 12315.32 11487.23 13612.46 9230.31 6910.07 6769.42 519.26 17066.71 3696.51 17551 12033.53 12486.86 12672.9 11826.45 11728.28 11656.91 15031.99 12436.69 13511.55 11594.43 14238.6 13642.17 14710.28 13631.87 14294.03 14879.03 10419.29 11597.4 10721.44 15663.59 18173.97 13152.57 12503.23 10662.54 12840.44 12488.3 11673.13 13519.7 12472.09 11961.69 13780.19 11845.76 13562.54 12192.25 11631.53 17226.19 13936.8 11011.71 12322.61 12141.35 13694.86 13906.66 14308.03 14097.32 13904.7 13898.69 13900.85 14298.05 13898.21 14108.8 Ser-Leu-Ser-Gly-Leu 1402.05 2269.22 1680.25 968.08 1833.26 4648.94 1310.26 2566.55 4151.52 1926.15 284.57 6643 1482.71 1465.99 5916.05 1232.33 516.21 11260.8 13166.55 6613.35 4323.8 1090.17 772.14 998.71 2141.66 2086.71 1556.87 1685.08 9614.33 9073.83 5447.5 15717.89 6185.17 1577.66 997.09 6574.01 6644.15 2956.64 389.7 1071.07 5728.82 4297.98 678.85 788.1 4633.82 1597.96 4572.27 1508.33 2009.54 6447.07 2228.31 639.95 1644.79 1769.4 1020.65 756.75 756.05 974.43 8066.93 2355.5 481.45 787.61 1937.99 2514.77 2229.35 423.48 3593.58 2550.9 1562.53 6247.65 1292.81 4755.93 2365.29 1816.98 1748.39 1876.87 1845.81 2409.92 1012.68 1281.14 3513.31 3467.76 1759.61 2407.09 2591.98 976.85 943.16 1460.13 3100.26 1907.07 817.8 1644.88 3261.14 1225.27 1979.94 1937.61 953.96 4480.23 2431.92 2628.21 3619.26 3395.18 3150.62 3574.86 3101.74 3313.91 3579.31 3678.72 2522.62 Stigmastan-3,5-diene 9794.05 5428.86 5412.85 5614.45 899.03 2559.87 6916.39 1562.7 679.69 6744.37 4752.89 3394 10077.32 5662.84 937.99 7540.52 8256.35 6191.71 3246.98 794.13 2829.58 1384.92 658.28 942.2 6850.11 2577.76 3190.4 4931.47 2978.42 7088.57 1533.81 11959.72 5099.52 6934.16 4007.18 2241.18 3527.64 9757.36 5276.27 3484.75 1701.47 3708.93 5596.89 6399.89 5218.57 3521.71 6297.96 1892.9 7350.34 1800.33 6798.56 7574.76 6675.98 5435.78 1070.03 5703.25 11783.2 6031.45 3066.5 5376.16 13020.76 6849.81 3715.25 4586.35 2406.44 6043.15 5802.61 5066.98 8765.53 5202.99 6953.66 6499.8 4207.06 9240.15 2100.09 3539.03 3877.26 4102.83 4062.79 3783.17 3548.66 4276.45 3999.48 3793.97 17-phenyl trinor PGF2 diethyl amide 14844.12 32413.61 4209.59 12917.81 40601.85 75848.09 14512.72 24379.13 18620.71 17504.54 13764.45 17296.41 14860.91 7439.88 5732.93 22524.88 515.08 44752.56 22247.87 32883.16 27989.38 16944.26 20808.49 1762.3 19637.34 30986.34 486.37 927.22 52084.43 14833.28 78998.51 40218.09 9899.77 38122.82 14858.22 32495.53 14924.15 26866.51 10490.59 16958.78 1009.34 30090.9 16794.38 10797.95 60079.05 14690.94 35438.79 10029.23 19201.57 30716.24 31218.76 33041.66 14148.51 30956.57 18610.43 35180.11 1908.56 4004.27 18021.05 5397.28 6353.03 16118 25367.69 17399.9 5022.31 28747.17 78829.17 14297.66 5667.32 14993.59 16093.81 26375.39 9695.78 17668.11 19215.76 23198.11 23107.36 23426.2 23367.7 22971.23 23367.55 23249.73 23645.65 22955.95 Methylcarbamyl PAF C-8 2730.9 9266.89 12915.33 8627.37 1950.12 6811.32 8155.08 4677.26 5164.24 4220.9 5614.35 2281.41 3934.96 4836.38 3022.58 27312.68 7120.45 13554.58 17586.75 3856.56 2055.91 12351.56 7569.75 7976.4 3792.53 2749.89 4311.21 1383.44 8814 3809.34 15247.42 21798.83 6621.57 12376.45 3351.7 13594.33 2797.76 3340.98 3116.2 4354.99 16651.43 12030.9 2721.51 6123.96 17383.24 22520.89 6723.03 11718.47 8887.63 7818.86 1664.51 8965.06 5560.87 5893.94 1109.45 10821.48 13337.8 6891.79 6297.37 16040.9 3876.83 9573.8 5919.71 5118.32 2687.63 9235.25 11899.53 4496.02 3962.05 4550.68 9841.26 5555.85 2636.44 9952.49 8611.46 11271.29 11797.53 11737.54 11227.92 11152.96 11432.88 12160.96 11285.8 11223.99 Leu-Val-Leu-Gly-Phe 1770.61 7592.83 4925.66 1051.58 7185.34 8344.34 3714.05 8096.42 6982.26 4554.11 809.26 7541.79 8806.48 9846.55 4788.92 4962.36 1480.09 1977.7 1232.42 2582.13 2617.78 3680.97 746.05 657.31 2308.12 2075.11 783.85 689.47 25918.06 14241.31 4690.33 3177.57 3193.92 3341.43 3291.35 20831.08 5695.11 6129.91 1969.76 2423.86 5413.13 6930.78 4176.58 2192.98 4388.09 2270.94 21295.8 9639.99 8418.48 14455.13 6156.84 5980.47 6128.2 6917.19 2532.86 3660.65 1899.93 1890.25 3020.3 3813.17 3132.74 2433.98 4290.38 3175.67 1925.92 2569.48 6862.63 2801.32 2698.34 2580.61 4302.74 2613.7 3916.53 4634.72 4229.72 5942.56 5822.13 5689.26 5996.87 5654.4 6022.5 5499.21 5959.38 5764.68 Val-Ile-Val-Leu-Leu 3375.78 4847.64 2329.77 3679.98 5757.11 639.23 5172.46 5048.55 569.56 4510.51 637.84 4529.46 7773.47 3153.41 5902.48 2972.14 3927.91 2373.17 4722.37 12207.42 4097.5 619.57 4322.39 4338.68 3515.06 5616.8 3783.21 5223.51 4684.96 2146.71 612.66 5253.99 11520.14 3614.91 5880.84 6418.55 1675.9 5929.86 4464.93 5868.87 6754.67 972.14 4640.76 6391.41 7033.27 5277.02 3674.66 3326.7 7913.72 13362.38 12644.61 4300.54 3831.63 7135.77 1436.25 4738.6 2191.71 2691.06 6529.62 4466.45 444.39 6825.62 4972.54 1981.33 8253.83 6721.44 7655.54 4612.01 5680.81 3615.8 5053.24 3406.44 7373.52 9303.09 2839.58 5552.1 5765.16 5542.42 5385.7 5371.36 5541.49 5539.03 5514.93 5234.63 1-NBD-decanoyl-2-decanoyl-sn-Glycerol 1715.75 5947.56 6392.77 638.08 3740.44 39822.01 6901.21 5526.75 6097.54 1540.07 5331.36 4587.16 4309.28 11810.55 24288.04 2198.98 5435.65 14383.38 2086.85 15593.2 5691.07 17328.58 1092.57 4727.98 1879.03 10397.87 1161.5 812.84 3033.63 1245.91 5432.95 625.07 2166.04 9812.43 3200.83 9896.68 3366.81 19215.5 7004.66 6369.92 10894.61 1369.61 5573.39 2269.1 6383.26 7927.89 16809.14 7094.11 2050.68 9571.49 6625.44 17869.1 11520.74 7369.98 2847.9 19689.99 17350.32 10013.76 480.01 8677.54 7087.37 9263.77 16035.92 6238 3569.98 1318 1801.65 3555.85 1876.6 3675.75 6536.84 1287.17 3839.17 11542.91 9657.68 8859.13 8866.45 8686.38 8902.1 9271.23 7664.95 8102.46 8491.1 9470.52 Arg-Leu-Asn-Asp-Phe 1342.89 1115.01 1249 906.03 892.07 5332.37 8954.17 1104.49 516.76 777.22 2083.68 1231.75 1228.69 2994.9 657.4 456.58 350.23 842.76 695.87 2072.66 658.87 751.57 905.74 1792.17 1368.46 777.34 1139.69 654.07 2044.9 631.34 1246.08 1438.62 807.65 3769.57 2301.61 2129.9 1262.12 490.89 2598.77 234.74 5651.93 4517.5 2423.45 727.68 4696.57 9863.46 1091.5 1269.27 5727.97 10188.79 6931.13 2682.47 1608.84 7007.94 6479.96 3118.68 623.03 457.43 6261.99 7539.15 1036.49 2182.46 1550.6 2093.55 529.2 9388.69 1176.82 1079.7 2655.7 1840.79 2202.89 915.25 3468.69 1138.15 5446.72 4635.83 4447.06 4522.75 4730.21 2757.36 4418.67 4285.45 4582.99 4458.13 dimethyl(R)-pyrrolidine-1,2-dicarboxylate 18295.84 14669.41 12308.77 11942.91 15840.93 20449.65 16027.97 15956.78 18521.98 17610.7 14742.47 17270.69 13892.31 15934.34 19558.07 23026.34 14598.85 18522.27 18381.41 18202.08 18655.3 23943.54 12230.48 14942.99 14550.11 15246.39 15429.94 15961.75 23031.07 11915.37 21629.09 17764.46 13670.69 19073.6 13832.36 12707.56 15525.39 16080.44 15131.13 12820.69 17361.78 17837.02 17919.67 14297.97 20904.02 20156.72 18387.66 19378.34 15754.99 20217.37 17827.39 13624.24 18010.99 16185.57 11086.91 13300.34 10268.72 8750.96 17903.17 9800.08 10947.31 14436.25 15286.36 13597.53 13596.97 13165.89 20649.98 14282.09 16069.68 15239.86 15622.57 16474.25 13950.95 14761.39 15655.19 15992.68 17005.57 16939.32 16780.79 16914.36 17481.16 16684.54 17034.18 16707.73 Asp-Ser-Glu-Glu-Glu 1379.77 7369.73 1266.82 593.85 2149.54 463.29 1226.92 5344.26 1492.55 685.3 1428.44 409 1300.9 1157.84 1961.34 666.98 387.91 5569.06 4216.52 16868.13 1111.62 2097.79 1165.63 353.43 837.34 338.05 624.92 1989.84 1166.4 325.9 17383.41 956.68 693.76 344.19 792.24 2781.81 11292.72 1778.71 1501.46 2453.26 3164.04 4911.02 248.15 993.31 5785.78 1270.51 16376.43 1962.38 1717.72 4553.96 568.36 1029.76 413.06 2220.72 3032.17 565.46 1103.1 235.23 6886.19 1106.86 396.18 243.11 1443.5 1572.06 3484.28 799.9 4815.34 2352.09 1824.34 9578.6 5864.25 1407.63 4637.45 2652.33 454.38 3090.16 3500.53 3056.53 3230.14 3312.15 3578.13 3276.58 3923.79 3287.56 Abu-TyrMe-OH 6287.21 16363.6 25345.62 6910.27 3817.54 30407.33 5732.32 9343.13 11606.35 3739.91 1498.51 7628.08 7406.55 4807.29 19727.69 6236.4 23689.76 6520.4 10167.4 26604.61 25768.68 46836.09 3633.6 4408.29 3528.22 22414.61 2767.12 3247.8 5090.69 1870.98 6296.97 1502.51 23378.69 1673.12 7945.18 4012.39 10743.29 12314.53 3444.4 6168.77 6239.13 15703.79 23165.4 5823.48 4281.21 2591.72 9658.86 27168.37 3833.49 25208.35 10178.76 17887.83 515.64 7348.93 8420.08 10801.12 12655.62 14318.31 12461.76 24135.02 7611.18 2118.8 14770.83 25744.89 11223.26 8357.95 15724.55 3914.73 3901.39 19513.65 10598.32 2486.74 6210.01 33935.19 12407.12 8695.58 11114.11 9006.93 7433.37 9302.02 9314.24 9304.71 6674.74 9192.85 Acylated phloroglucinol 160578.49 84693.28 106006.81 76102.99 110204.22 2131.88 57039.87 378083.68 183884.8 112817.86 97885.9 80800.76 103143.23 87739.68 182555.3 169370.04 134868.79 132227.39 279971.8 198829.17 391396.09 36108.1 140849.12 125439.36 192808.13 105979.99 278331.03 148619.26 291585.91 57523.41 97370.09 224835.9 60421.75 174850.01 160379.67 315084.86 160158.46 66065.46 126834.02 57985.22 60332.04 116496.24 129890.75 57862.64 164040.74 192001.21 182753.68 122804.8 318730.33 267433.5 638364.17 101236.97 180904.41 124239.52 227365.78 98112.47 158068.99 43457.11 192707.85 31223.51 209814.69 121475.32 278832.98 202726.67 128424.92 130659.03 130159.55 112703.83 93911.61 311045.73 171703.1 149866 123883.8 104792.6 177444.52 147117.31 143821.24 148784.54 143784.5 148666.08 144602.83 143794.79 146978.92 148977.6 Asp-Thr-Val-Thr-Phe 12889.28 3832.85 423.24 4625.82 42157.56 5417.94 2282.76 36999.93 31142.92 4780.9 437.52 756.36 4941.45 1541.95 25324.47 865.91 1165.58 8195.01 2626.99 13247.28 29925.04 5907.45 2229.02 561.41 29776.43 20205.77 1652.66 414.29 2800.51 1060.35 12608.14 1047.33 18908.14 4480.34 3677.22 470.84 25409.16 3514.3 2576.76 847.17 10577.8 24162.44 1675.29 2926 874.88 530.61 853.79 5756.85 984.97 1116.54 16175.29 14806.5 4301.54 3912.44 17447.74 14374.05 403.21 2809.9 31101.48 11177.25 3147.32 1130.74 15545.19 363.01 3387.66 23027.72 21147.73 1008.37 732.48 25297.91 17960.3 5410.32 583.27 1317.39 524.02 7098.24 5898.64 7160.25 6621.67 7086.3 7469.13 5763.73 7904.44 6676.86 Abu-Abu-OH 30666.13 20540.55 9686.02 10309.64 31748.05 23166.8 18593.51 39476.94 43168.21 27220.09 16890.69 23316.44 14983.51 18007.18 29211.89 25259.79 15905.23 28534.23 26093.13 43511.94 32699.13 12654.85 9695.22 11394.9 36088.88 26667.3 17965.08 25998.04 36548.23 27015.22 38428.21 26342.86 21373.88 13543.75 13038.52 34040.87 31753.72 18749.33 16113.75 19765.13 39749.51 42626.9 14051.35 14678.97 31756.18 22379.1 39974.23 22635.4 28824.94 30935.18 27066.49 14344.85 14108.97 19500.56 27998.54 17781.45 8061.68 8550.95 25545.28 11913.59 13005.58 12481.71 19463 15338.64 19121.55 28813.61 29259.07 22961.4 26569.97 32439.04 35774.58 23776.65 26734.55 18233.26 21375.32 26842.88 26579.58 26925.04 26933.7 27257.99 24857.24 26589.92 26998.63 26537.83 (10R,13S,17S)-10,13-Dimethyl-3,6-dioxo-2,3,6,7,8,9,10, 11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate 11826.28 11200.06 18133.63 8788.99 1910.06 3316.26 9918.99 13593.95 12053.18 10452.61 17255.77 3510.23 8159.36 11215.94 13694.1 10381.65 9206.67 10964.36 14506.13 15377.99 9526.75 2354.66 9497.04 12310.36 7738.9 5149.74 23037.21 14916.37 10065.14 5186.19 3359.01 10086.83 6968.59 10528.09 16176.4 18639.79 17712.17 6628.43 13835.71 14061.34 4607.96 12836.94 4074.27 10454.99 9416.94 9784.88 12084.94 6600.94 21791.6 17221.65 10542.82 5625.17 14053.6 12088.52 21035.98 13981.62 28356.82 12953.61 10879.43 8932.48 21965.82 15745.56 17692.57 47854.67 17996.78 11203.8 13431.26 14078.34 14082.39 22469.49 10645.47 16858.2 28722.83 12864.88 24726.93 10816.64 8280.26 15387.6 37218.43 18100.71 9274.59 19167.52 6925.58 8332.38 19021.79 19101.75 5047.81 19449.92 6378.46 6666.26 11362.03 9218.47 34366.12 28180.35 11060.73 15880.71 12590.81 9788.02 12292.66 12683.41 14844.93 14602.74 14023.01 15027.68 14847.17 12746.72 13745.99 14937.58 15617.41 Lys-Asp-Met-Thr-Cys 581.18 483.8 10447.1 3719.51 2424.01 627.46 3923.31 1173.08 3042.89 7972.03 2072.06 773.67 10557.58 7133.01 13829.28 1401.45 17437.84 6168.59 766.78 6085.1 2580.83 6626.43 7852.74 1213.41 9971.22 4053.53 15770.01 15635.8 20080.73 6875 641.69 1383.45 21881.6 10940.52 19432.98 7093.72 2575.79 11955.42 5862.85 8374.16 1378.08 2658.2 9548.1 7145.8 10488.76 6679.64 3795.04 13977.21 8492.86 11329.97 4236.16 12802.69 7345.15 11235.3 6143.4 25004.46 2250.36 7870.09 12552.09 10468.24 12065.13 7781.62 10621.56 20825.04 4772.93 5997.63 22510.36 5067.7 8145.73 6359.53 10286.59 7265.42 6012.86 12383.39 5021.59 7248.1 7854.43 7321.35 7128.75 7133.1 9554.28 7959.35 7247.8 7701.54 Asp-Leu-Ser-Glu 6155.24 3759.89 5454.93 5629.92 5046.83 8157.85 7329.03 5206.63 2798.13 2829.67 6387.21 1914.05 6782.44 6271.5 1447.99 8705.86 3053.93 3713.41 7198.61 4823.56 4776.15 3560.7 6244.09 6769.14 2305.26 2406.59 6570.54 1602.25 4740.36 2266.86 2062.81 2643.71 2344.65 9372.12 8113.55 4489.13 3861.34 6230.74 5453.53 6506.85 6640.36 2081.23 7534.72 8327.67 970.09 13327.34 4606.7 9399.08 5205.75 11331.05 6729.23 3266.2 6161.05 6952.48 1310.55 1324.4 5605.48 2212.69 3383.55 2783.6 6005.16 7846.99 2387.33 3413.74 7662.43 4622.88 1790.77 7841.58 3804.72 1768.77 3409.47 7896.22 8900.7 11282.99 8771.06 5826.02 5844.88 5522.81 6231.23 5910.46 5002.41 5545.25 5777.15 5644.73 17hydroxy Wortmannin 8921.67 1182.62 1468.26 1808.72 4054.87 2685.2 4344.7 17908.53 31843.62 758.76 300.53 6146.88 2137.32 2950.75 17817.91 522.04 3527.96 12707.07 8721.7 31496.48 17653.61 1793.89 229.07 1146.12 25434.64 493.08 4126.5 559.53 14084.14 249.77 33937.52 591.84 424.14 2591.92 3134.46 14254.33 21565.43 6168.02 3478.17 3567.86 12967.02 21849.87 1175.49 3449.94 26326.4 3176.31 26151.94 1669.91 506.02 11220.12 1692.68 7942.43 3031.53 3804.11 6268.26 3238.3 1833.98 1747.3 26644.76 1792.37 2324.22 2032.89 4048.62 1110.04 5734.5 3784.06 13441 2704.28 2226.52 22258.97 14978.16 10855.23 6601.09 2109.51 2776.13 8863.61 8993.18 9401.75 9031.47 8927.24 8799.55 8893.72 8993.43 8684.17 NCGC00386087-01_C43H60N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(3S,4R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide 165.82 635.21 975.34 19726.85 20260.09 12393.93 20286.58 2146.72 165.92 80.37 499.62 867.49 82.61 908.66 73.71 2727.62 1541.48 390.16 870.63 788.11 671.75 418.81 560.1 781.61 123.83 93.17 673.63 835.65 1052.78 422.85 810.05 1160.64 186.19 1819.6 1526.62 539.19 672.77 314.89 1141.51 1793.55 11235.55 3304.78 659.84 1103.39 353.64 7830.2 423.47 523.8 524.06 102.62 1175.61 997.78 1039.68 2481.45 7583.85 858.36 2351.84 1088.59 1426.21 5602.75 1708.87 3162.15 2083.81 1386.21 867.55 3540.6 120.01 250.24 1642.3 380.48 436.84 968.61 330.56 1064.12 3082.47 7771.27 7499.78 7498.32 7453.2 7571.5 7366.84 7591.85 7539.4 7618.04 Leu-Leu-Val-Val-Ala 17138.82 18820.46 18888.08 25316.43 42129.89 41265.89 29924.31 33139.23 20697.4 14782.6 19922.56 20820.36 23149.06 22139.97 16456.45 35611.58 1231.85 17723.6 1663.08 24547.28 14526.1 14084.86 14396.04 24631.95 20258.88 23145.93 23940.45 28025.51 39407.09 15242.55 27394.45 76647.99 1996.53 26671.66 29478.03 24429.97 17708.57 19223.18 18759.16 17338.25 29864.88 26338.95 20128.08 16004.87 30983.91 39245.2 26533.5 22631.91 2529.36 55691.67 9555.83 5930.55 11804.33 29659.67 13175.42 13433.89 5493.49 14095.59 14138.46 14807.09 9035.36 2351.95 15976.14 26787.97 22268.83 5567.11 3060.54 17875.8 22128.01 18118.5 18431.78 27495.85 34120.12 24564.58 22062.18 24543.03 24187.01 24166.69 24464.22 23653.33 24235.75 24483.3 24918.12 24566.44 -UR-144 N-(4-hydroxypentyl) metabolite 5880.53 5207.34 5647.52 6322.43 6053.52 6105.17 8104.64 10734.33 3027.45 4595.79 6658.74 4546.94 4746.22 5296.71 4817.16 1590.56 5883.47 6546.78 2238.74 7993.66 5985.33 4442.3 3000.87 5119.8 5985.69 5941.88 5595.64 4821.97 4554.66 5816.61 5166.11 4585.46 4585.63 7277.07 5142.55 6205.54 5438.93 5211.27 4682.08 5521.33 6237.57 5561.28 5143.64 4926.26 5121.63 5005.5 4469.96 4753.28 5868.88 6724.67 4050.54 4112.13 3087.81 5174.47 6845.62 4604.52 5058.51 5528.65 5058.02 7089.42 5579.57 5094.76 4635.69 3729.02 5312.84 6744.72 6438.84 5740.64 5900.66 4360.02 4915.46 5531.29 5719.74 7628.36 6140.61 5104.72 5107.16 5468.25 5110.69 5099.98 5112.27 4960.33 5000.81 4247.31 3-DEOXO-3-ACETOXYDEOXYDIHYDROGEDUNIN 2431.36 1689.04 2226.83 1489.02 1674.82 1639.47 1608.81 2595.89 1062.94 1490.62 2854.26 3051.93 8283.18 3107.37 1235.9 3979.66 3075.41 425.79 3878.33 13245.72 577.1 1785.66 2174.57 2598.58 780.54 807.42 1966.37 1919.32 3610.25 1070.99 1774.36 4152.11 521.39 6907.2 3663.1 1820.42 1148.98 2459.89 3264.69 1662.08 13691.07 1553.96 3607.84 1742.36 890.38 3901.8 372.47 4302.35 4175.75 3514.78 568.79 675.22 4700.16 5485.02 1337.06 1174.37 2288.27 1383.61 1021.94 365.51 1271.89 2651.08 595.46 2276.01 1242.97 2164.96 606.08 1435.81 1595.8 1304.68 638.72 3972.59 3063.08 1818.2 2854.25 2600.47 2688.27 2642.37 2656.94 3109.47 2622.04 2681.27 2805.05 2779.75 Ser-Ile-Lys-Gly-Lys 1552.92 4421.74 3267.53 2989.3 2672.82 394.34 2455.52 2776.68 3605.45 3166.37 2918.5 2153.92 3310.05 2420.01 2655.2 2914.5 3306.76 421.36 694.19 2649.58 3015.94 2667.54 2020.41 2584.11 2333.42 2756.26 3597.76 3540.15 3683.33 3831.55 1480 3475.38 2340.13 3092.28 2975.28 4275.56 2933.02 4841.11 3429.91 1479.82 3656.32 6470.72 5804.21 2411 6027.51 2141.89 3718.92 3543.85 3425.79 6804.98 2825.79 3350.6 5295.36 3568.36 2867.33 2938.23 3960.53 4272.19 2717.51 2563.45 4404.3 2569.67 2793.42 3541.11 2777.16 1758.67 1905.65 2493.65 2749.54 2204.03 4164.45 2927.76 4616.09 3109.78 4480.86 4475.42 4519.72 4751.66 4807.81 3824.23 4675.37 4606.79 4488.45 5176.88 (4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradeca-4,13-dienamide 2841.29 18046.21 29095.69 24463.19 10328.13 5894.88 11893.45 26724.12 23459.55 19554.31 18701.25 16316.09 12237.27 17688.38 18488.87 30994.48 23066.74 4050.25 30146.54 19785.33 30115.37 1320.24 25901.57 26732.59 23262.61 8108.4 16293.4 19392.41 28217.61 27547.38 5059.23 12791.3 24240.88 27290.66 23184.83 21588.15 25922.48 11758.98 25997.25 22079.45 7863.29 8144.75 15708.64 11788.19 19971.05 7242.64 22205.75 21787.69 19280.85 18280.42 12358.44 25456.25 29843.35 12929.52 21438.87 19788.01 27850.86 20979.23 23345.54 3728.69 23295.13 11093.01 26277.52 31049.47 27131.72 20881.57 7972.63 19297.72 10831.39 23340.6 18600.28 19421.18 27067.82 20155.58 23474.3 19044.9 19031.69 19025.87 18321.71 18290.55 19023.05 15937.58 18273.87 21035.63 His-Nap-OH 5099.17 3023.2 3223.7 7620.45 9764.96 5879.36 9088.85 12103.48 2131.24 1366 3679.7 1161.15 1687.95 712.41 9879.61 2788.44 2598.23 11380.59 2791.36 2687.21 5777.09 2938.06 3670.88 3760.46 5799.77 3886.85 3550.06 663.82 19735.52 2034.57 6932.92 2137.88 2937.96 12837.84 1649.39 4693.46 6342.2 5063.38 5477.74 5891.61 8207.25 5252.92 887.13 2940.35 1801.3 11358.25 9007.66 4818.9 1976.31 2179.13 10872.63 5477.88 3019.79 13212.44 6289 3683.57 4238.12 3719.98 4995.34 1242.86 1155.9 7841.71 1672.64 7031.42 706.74 10580.75 5784.55 1176.96 2205.15 7599.46 3983.03 4855.95 4332.43 7537.6 11164.52 4592.73 5162.81 4528.93 4546.46 2852.71 4875.38 4783.44 4843.03 4873.43 Ser-Arg-Ala-Val-Cys 13490.37 20253.3 26172.05 760.19 17365.11 77924.99 4174.58 2527.78 6296.42 7489.32 2964.28 2123.46 1384.76 2352.56 40749.01 1797.13 1513.35 2736.37 5696.46 9385.36 1711.99 3617.64 422.98 479.92 1794.24 8265.1 2037.8 1131.63 8430.51 2744.16 1798.21 2457.88 970.66 3716.54 10218.81 2376.57 11049.47 29204.45 3298.97 6744.3 3767.65 4150.59 8499.32 5837.43 8755.4 2395.25 6097.54 2261.52 3789.84 18423.84 1242.72 35189.33 10217.08 3496.72 11766.4 41967.31 30421.57 19568.71 4945.14 4993.81 5535.94 9159.26 48958.62 9958.02 1350.57 4840.6 12983.05 8012.19 1604.2 5547.34 1692.09 962.94 8550.72 26359.18 17609.89 12608.2 11753.81 11926.29 11778.57 10878.73 12823.35 13630.08 12677.08 12284.46 Ser-Arg-Glu-Val-Ser 1412.35 1782.76 4514.12 6903.31 2153.18 6547.31 5102.55 1350.05 909.51 1994.3 2103.44 6335.27 4034.79 2678.57 1953.87 2267.54 1037.36 983.51 1576.28 1341.64 1801.33 2838.07 3167.15 2081.26 1872.33 1894.38 668.26 1529.6 2212.38 2779.73 1083.91 3330.53 2541.15 9652.65 1527.8 1514.05 1158.43 5121.12 2096.65 3994.28 740.59 1885.12 2535.86 2143.09 1512.97 946.48 1399.81 1070.9 2206.26 2982.92 1527.92 740 5875.02 10339.86 714.1 2078.19 3740.28 2366.03 724.68 696.42 1388.93 3634.1 1319 6550.62 960.83 2417.08 708.34 1321.99 1976.99 1136.47 971.85 2299.96 4403.39 1703.62 7557.31 1649.99 1778.99 1573.62 1580.99 1582.28 1572.35 1646.7 1646.83 1583.81 18-AMINOABIETA-8,11,13-TRIENE 545.77 1513.15 896.89 917.77 1692.89 1029.49 733.97 1088.92 860.42 431.67 553.91 2086.12 1926.94 2810.04 649.17 2206.97 1660.9 1376.83 1172.58 589.69 463.53 1329.97 821.36 2146.71 959.03 1199.93 430.82 910.59 2400.97 1251.21 642.25 778.81 1504.38 3710.49 1816.6 3033.81 1663.77 1442.67 2420.27 1481.63 915.96 864.3 1680.92 1457.66 880.34 859.05 784.77 3880.17 692.29 960.88 1400.59 2343.03 3288.12 1689.13 2796.07 1459.59 2703.27 1590.95 619.4 1067.15 1955.32 1613.73 1026.44 1563.56 1080.17 3569.47 1404.71 2264.46 1495.68 2123.21 1545.68 1205.14 1716.41 3859.43 1176.11 1614.79 1614.95 1582.84 1627.31 1518.67 1651.17 1642.21 1692.45 1520.42 Val-Glu-Tyr-His-Gln 13766.7 5340.99 2203.53 515.34 23088.71 5603.89 3038.26 15780.83 9467.61 1824.6 7691.68 4614.62 4590 522.45 13580.01 9054.84 3086.45 6000.91 2511.83 15448.68 8479.13 3289 3467.21 1695.94 11477.97 4379.13 4419.06 2063.17 3643.8 5487.73 11082.86 15138.57 11008.82 6850.45 6592.49 11111.42 5015.59 1514.52 3565.35 1671.4 6238.84 6630.71 3400.39 4035.08 12687.81 4955.98 1340.72 3295.28 6187.13 6176.54 2027.29 9429.84 4956.73 6679.57 4713.25 3980.84 3701.14 2131.18 7497.71 6272.63 6870.38 4180.9 1981.18 2125.33 2033.68 4115.97 2571.9 3746.43 1957.98 4012.65 2306.07 4047.47 4033.8 1327.48 6094.16 11630.7 9049.99 10967.5 11045.66 12628.13 9903.42 9869.97 10739.76 6845.7 Ala-Pro-Ala-Pro-Lys 12633.5 25240.65 56863.68 48857.99 26412.74 4661.87 27238.35 32637.42 17932.35 64981.76 52196.78 41222.66 82451.96 71761.53 21105.46 46062.04 34115.8 9272.44 66267.99 13713.25 17266.17 30972.59 73974.29 45620.81 25886.4 36271.58 63419.66 51556.11 24314.03 5211.51 11968.89 82111.78 10810.53 83476.44 61076.64 29428.24 31939.28 27964.87 72225.97 48410.33 28805.22 38687.1 65615.27 59190.21 24009.61 45056.1 21598.63 55268.61 45995.73 69418.74 35723.51 41100.52 78029.97 77831.49 19772.81 28283.93 44915.52 44705.03 17726.7 19092.14 51264.97 60589.09 22240.53 55200.27 24692.43 46347.72 5734.8 68698.24 64017.24 26748.64 17848.83 62189.6 52641.76 51524.86 66093.14 35348.13 34956.97 34957.34 34798.64 34832.32 34440.34 34700.25 34244.2 34952.01 Lys-Glu-Ser-Thr-Leu 1262.78 811.66 427.05 1035.03 1938.41 1677.75 732.67 703.47 811.54 317.57 565.45 761.28 787.57 362.82 2697.43 591.39 656.3 590.86 961.46 783.75 762.96 306.5 532.55 607.92 749.42 720.1 909.7 535.57 1597.27 961.6 704.55 489.09 372.57 644.49 1201.74 631.19 1140.83 1450.61 557.17 656.89 1340.35 1713.33 549.57 957.41 872.74 675.44 687.86 638.96 365.51 522.91 494.68 1287.98 630.54 1052.92 753.48 491.67 569.28 633.19 612.16 1161.38 842.29 429.53 553.72 335.31 1635.21 702.7 470.28 429.52 379.52 360.43 649.71 460.42 471.02 827.05 347.57 1393.25 1304.38 1393.2 1530.14 1748.07 1607.04 1543.06 1456.15 1325.07 Arg-Asp-His-Asp 28247.33 27127.86 34458.75 37398.19 26027.23 53263.76 4982.99 1533.64 33569.88 1425.01 25833.5 30695.75 50588.9 44696.81 17940.87 60074.1 43087.37 37455.28 33199.88 60543.05 36065.12 42717.75 24336.93 32080.59 14259.99 22833.38 11400.51 12885.3 61809.15 603.66 2107.94 48919.82 23384.42 37117.95 32976.1 18241.78 16739.79 25951.24 14573.52 28392.7 25434.21 23077.67 31123.59 36069.46 41598.33 41415 37956.36 45034.41 22108.82 79956.28 8301.75 49879.24 36359.5 52967.09 20867.37 45928.48 40661.61 33921.89 4415.32 35011.22 19851.63 23630.53 26222.17 36998.26 28903.03 38065.23 39730.49 28441.58 39114.53 29758.44 17854.15 19385.63 31770.11 56343.15 46816.49 32552.56 33615.12 32758.94 32568.57 32986.4 36940.43 33831.1 32726.07 32747.1 Asp-Gln-Leu-Thr-Glu 8939.15 15855.62 464.49 825.24 3382.26 5629.54 2150.09 9333.6 5133.22 6753.41 1161.88 10597.23 3460.8 3865.74 6620.88 2937.35 6966.01 9297.81 7997.23 9839.05 15588.33 3279.43 1217.24 1409.86 13681.57 28945.19 1510.15 505.51 8256.83 1116.91 328.23 3727.48 1183.24 8371.27 3278.15 5606.12 18095.13 980.77 1336.94 2628.22 7928.15 3554.89 6384.98 2821.91 21324.57 2464.84 21751.76 14715.02 4296.81 7908.74 3824.95 15939.78 5418.79 3514.98 2480.8 1021.59 1000.54 4309.61 24633.57 752.81 2431.66 1539.03 4679.69 10680.93 3077.81 5599.54 6633.14 2612.32 1283.01 16363.55 4016.89 7697.77 3300.94 6986.71 2694.58 7849.88 8327.16 9617.26 8231.29 8002.37 8238.21 7868.12 7239.39 7887.22 Asp-Ile-Lys-Glu-Met 19656.13 21638.67 36620.15 13065.27 5956.92 16153.07 20001.9 22536.92 26430.89 21507.38 14343.46 13173.46 11649.1 10059.79 26732.36 35055.76 28618.46 1176.91 24817.58 35392.58 1564.19 24219.78 16739.41 14036.33 21424.31 4396.31 13267.79 14108.99 31816.48 13524.7 15201.32 3999.54 21237.13 23736.94 23594.36 17088.03 23763.37 26591.29 18696.5 14431.25 22562.66 30911.61 20932.16 11721.94 28938.16 12612.63 29125.02 11696.11 10897.04 18773.03 25932.88 20599.23 46005.64 21994.21 22867.59 15665.59 11149.14 10754.21 32623.39 52640.85 10275.25 40860.53 21153.31 18662.1 10227.24 21575.08 29842.25 11453.83 9768.57 24588.53 20735.89 17986.92 13626.77 4379.41 26308.95 25867.86 28904.83 27687.97 29385.78 31106.93 29159.52 21382.84 30903.71 30121.19 Val-Asp-Tyr-Val-Leu 584.34 914.64 695.61 440.32 8817.69 1120.62 1767.59 2152.58 7587.96 1016.66 501.07 846.55 7378.83 1848.03 696.51 3446.75 1464.95 1472.91 720.06 2417.49 5584.53 636.23 678.31 472.8 2766.27 2024.64 580.42 694.6 1935.64 7153.47 1133.57 1134.52 403.63 19214.27 411.27 1363.54 1470.25 2496.7 556.87 488.06 5011.6 6159.27 1977.36 464.71 1804.21 16478.22 977.59 435.74 2561.07 2422.35 1197.06 925.55 1425.61 6418.51 939.54 1495.25 2249.65 2024.96 445.31 1488.85 1297.22 1879.82 1302.67 795.02 1855.8 5631.8 968.53 1393.11 1797.86 3481.3 1336.03 473.61 2070.64 1970.02 3544.79 1730.46 1967.94 2100.8 1885.04 1988.94 1752.52 1915.79 1674.92 1792.93 Val-Asp-Gly-Thr-Ile 4414.91 3866.42 4641.81 413.47 9316.69 12641.39 5778.6 8147.22 16829.92 7174.15 822.3 4474.92 3118.32 3390.25 727.82 1707.19 3221.14 7699.56 1649.66 9997.77 18627.36 5158.15 3828.81 713.87 1594.95 1878.76 14518.04 851.21 1459.79 1807.38 3689.6 73821.19 4466.37 3904.04 3464.25 6332.32 8869.41 9421.2 851.06 860.44 947.55 24869.46 2317.8 2155.44 12983.38 2701.23 7363.67 4449.87 14382.8 20627.05 3889.4 5015.13 3500.74 1863.63 23862.15 2319.55 579.57 4572.72 13065.32 17101.53 3677.59 6180.85 9372.47 1762.4 977.07 26012.5 10825.86 6697.55 5263.75 5027.94 10063.83 13600.08 4337.17 750.07 2641.48 9843.52 9405.12 9691.89 10142.43 10159.12 10119.85 10132.75 10138.34 10109.48 His-TyrMe-OH 4021.2 9889.7 1755.42 413.52 1795 2151.03 1712.52 3608.53 3170.61 4165.41 1704.28 2062.48 470.63 1229.78 1490.48 436.76 1128.6 443.52 8152.5 479.89 4867.57 984.84 1690.93 2159.1 2871.01 574.79 2137.76 3575.5 5304.28 1409.64 435.43 1771.32 4592.67 2771.18 1994.6 3535.61 6600.23 5624.39 2038.49 4699.58 1760.83 5347.61 3730.68 3191.24 4382.12 3281.46 4979.31 4976.71 580 4935.51 6007.18 5676.74 1329.55 3696.91 2094.26 5778.56 3267.42 3954.97 3707.72 1835.75 664.04 3622.15 2904.79 1346.12 7940.07 3272.15 3398.71 4793.58 2766.2 4914.55 4795.84 5124.95 3319.79 2553.34 2942.52 4445.13 4428.94 4241.92 4317.11 4434.6 4373.3 4941.48 4262.93 4115.64 Phe4Cl-Abu-OH 8246.08 10445.34 8288.64 8681.81 2110.11 9022.89 11205.88 8116.75 9863.23 11602.42 9409.26 10210.84 7886.78 12235.65 9920.34 8905.31 10315.48 9487.07 9680.37 10528.13 9463.45 8867.88 8616.42 9211.84 9147.67 7662.46 11636.17 11670.18 9052.01 12038.99 9648.74 10128.97 8491.86 8250.19 9140.54 8886.31 10349.42 9345.25 12126.74 12350.68 6609.93 8482.26 9193.32 11005.61 9296.3 8789.12 7217.08 10672.59 9416.03 9127.89 9337.61 9548.25 8949.31 9527.07 9581.53 9454.59 8077.73 6326.86 9039.11 9556.88 8849.31 9196.06 10002.99 10216.86 12016.77 8866.55 11783.09 10940.06 11422.2 10136.71 11552.75 11646.44 12099.46 9508.89 11017.99 63142.15 42203.69 49610.72 63266.76 27669.8 73256.27 33482.32 22981.5 39554.09 6865.26 29593.22 47804.6 59925.15 15256.42 58761.42 88010.89 135295.08 99718.33 13116.02 79379.55 106604.12 30163.52 77344.07 100807.11 10169.26 10180.43 10411.13 10179.29 10277.79 10277.22 10217.28 10217.23 10337.06 Laurencione diacetate 2473.65 2226.58 1941.94 2202.83 900.93 3763.29 2496.78 3659.8 858.74 2313.49 3888.71 4458.65 2119.42 2073.78 2209.79 1676.03 1918.11 2684.88 2055.42 2147.17 2157.92 2455.47 2391.34 2526.73 2246.32 2334.72 2300.87 1766.98 1630.88 2261.19 2212.53 2025.3 2519.34 2476.13 2593.63 2398.12 2441.65 2818.23 2381.28 2276.72 1869.39 2020.77 1734.81 2474.55 1956.62 2442.12 2004.77 1962.15 1358.85 1726.57 2060.25 2331 1972.6 1658.19 1719.81 2120.2 2051.47 2384.2 4481.43 2304.12 2085.17 5097.3 1833.35 1844.92 2431.51 2101.98 2351.65 2414.41 2047.06 1888.95 2225.78 2205.47 1735.2 1299.42 1972.58 8036.37 14134.55 7370.67 7903.07 7171.99 7491.29 7480.63 6214.6 7058.98 7495.0 7517.54 14065.5 6867.74 6504.03 6553.26 6517.59 7073.76 6502.45 6249.79 7408.23 7447.26 7654.42 7250.35 13369.87 7704.4 5978.74 6384.68 6434.44 6204.7 6433.83 6316.81 6309.91 6429.48 6801.92 (2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate 9482.47 8915.52 25270.31 9195.46 10469.72 2898.25 25315.87 16705.54 12355.92 10360.99 18495.66 11711.84 8218.37 14502.68 27092.77 15475.92 13050.46 17495.69 5315.23 17472.57 6849.17 3256.5 14627.65 18759.29 12830.83 11190.88 10084.6 13710.9 9465.36 1767.11 14361.93 12022.07 11650.22 13536.52 15076.16 10528.01 17710.75 9742.44 10349.77 20549.95 1980.93 3737.97 9848.78 10243.1 13471.99 16764.42 16574.75 12120.81 8870.92 11707.81 15758.04 10724.37 22635.51 29096.66 13827.28 7529.22 22635.91 23081.03 10044.33 12569.14 18141.53 13823.52 24694.94 37753.8 22669.53 15301.38 3537.85 13218.76 3578.09 27964.09 10293.99 8517.33 27950.21 38766.41 24681.36 17724.44 17878.09 17464.15 17741.26 17080.14 17543.15 17743.87 17390.88 17468.21 Trp-HoPhe-OH 17662.67 6139.46 20171.58 12112.25 11080.12 335978.65 57928.48 8372.56 3510.15 57009.88 8413.52 10468.18 8466.72 2502.08 3378.56 8243.57 7620.75 5212.41 15483.09 3806.13 9861.93 72532.71 7264.94 11078.7 11018.36 314139.88 7316.95 2080.64 15242.98 5133.72 4960.16 7467.85 21521.21 5237.28 972.61 20255.17 12002.74 317474.43 2603.24 179.54 7698.86 14708.94 654.15 283.16 7394.03 10279.06 17097.25 29004.88 26013.83 14323.89 16167.15 2751.6 164.48 20167.33 12729.35 8127.75 28796.83 690.29 557.81 272011.36 663.58 4115.87 2262.73 672.83 18186.46 8542.63 395.87 187.69 3342.42 651.65 485.82 62793.82 413.39 281.76 10929.05 26376.04 28686.92 28572.76 28199.61 28192.14 28980.42 28391.33 28564.24 28274.47 Leu-Tyr-Arg-Ile-Thr 7081.21 7427.51 6834.01 7085.16 11328.53 12309.35 6908.06 8962.31 9624.86 6722.8 4697.49 7275.28 3052.53 6822.12 5580.28 3186.88 11057.57 5281.63 4888.88 592.96 7464.32 13096.09 9992.34 4811.19 5835.06 13420.45 4529.17 1692.39 25456.95 10912.23 9636.49 6734.09 10647.33 7696.65 4631.61 18462.4 6888.26 7517.44 3527.21 3619.03 13799.88 13368.39 8567.78 3561.71 11063.86 4832.4 23108.03 9407.88 11062.94 20208.36 7161.57 7757.9 8465.97 7660.17 5569.41 6726.28 3139.67 3173.34 7552.51 5516.37 2859.69 3776.57 6326.85 10022.9 3845.59 8713.29 10804.02 5190.05 4922.94 7053.24 7643.74 5904.39 4638.07 5138.99 6390.26 8796.99 8812.75 8722.82 9023.94 8616.78 8926.23 8178.13 8815.02 8610.67 1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine 8556.08 11760.22 9309.01 11554.17 15623.23 43531.17 19206.86 8051.18 8710.15 8988.2 5967.02 8726.18 12490.96 11109.6 10692.79 12919.46 9169.62 12372.6 14325.55 14234.44 11327.03 8941.39 9470.08 5660.04 6928.03 12792.09 8949.43 8143.04 10451.62 11315.27 11110.09 18520.05 11799.39 12978.94 10677.82 9736.61 10471.05 12762.12 8725.6 9054.62 16696.73 8173.27 9127.04 9065.08 12424.03 11566.75 11075.65 10852.08 8490.52 20329.72 12678.19 12470.46 8040.36 10232.89 2802.52 11878.35 10606.8 8002.3 10450.72 13049.01 9084.2 8308.77 9066.82 8642.13 7601.05 10870.7 13454.51 8165.28 8502.98 8259.06 9639 8796.88 7382.54 12217.9 12069.78 13476.96 13839.91 14062.89 13932.03 13843.41 14054.86 14485.29 13993.63 14055.76 Ile-Val-Lys-Trp-Asp 1595.66 1710.27 2501.53 2962.37 2176.13 2011.45 2334.05 763.63 537.12 2026.79 2062.82 1894.71 725.79 440.66 936.86 2560.24 454.12 1893.07 2075.98 11778.07 412.92 1244.24 2552.12 2230.1 2467.94 554.6 2075.4 1285.78 3412.7 386.38 395.18 4054.83 9065.17 12221.38 1186.87 1940.1 1456.37 7555.62 1038.32 1797.96 456.97 1543.97 1762.19 1518.3 1772.53 4893.32 835.83 3464.62 4436.92 4743.3 1822.27 713.14 5161.71 6655.07 3262.23 700.88 2606.96 1646.33 685.88 9837.39 722 2368.61 1803.99 1772.78 525.2 3226.89 671.86 1258.51 1217.41 2680.23 517.75 4193.59 1549.29 3838.46 1784.35 3105.92 2915.5 2859.7 2752.97 2868.59 2919.31 1842.42 2852.72 2736.92 Ile-Leu-Ala-Asp 8671.2 4503.77 6510.42 8008.66 12876.85 25566.15 11724.66 5337.05 13182.03 1296.26 1084.71 1498.49 8835.56 6115.67 14580.81 14195.39 6453.99 16316.92 11505.53 14027.07 10116.68 8263.54 2591.44 3355.26 7906.73 10113.1 5095.55 1768.73 23709.94 1453.23 11217.02 12799.39 8603.07 3388.45 3251.73 9650.47 8047.89 18845.89 2021.52 4002.95 21609.82 13927.89 3350.35 962.71 11212.93 12367.13 17036.47 6871.03 8289.11 8858.12 8969.86 5710.96 5634.44 16510.88 9661.9 12649.75 9378.4 3479.78 13581.32 22571.45 7617.31 3441.24 8764.83 9048.5 5362.9 6502.61 6718.61 6489.88 2339.98 9494.6 10390.08 8418.15 952.02 7344.76 16123.34 13797.52 14053.04 17137.29 14195.1 13823.25 12965.48 13016.75 11573.17 13446.39 Val-Ile-Pro-Lys-Ser 1022.03 10560.62 7903.79 7361.3 14312.67 818.48 10816.17 17587.31 3138.35 16056.39 4706.63 4275.58 1901.24 6718.31 15577.57 1851.48 7196 11378.08 21256.86 29550.09 3123.99 11965.47 9593.54 9621.64 13431.01 15609.6 8593.34 10572.26 21897.27 925.41 16467.89 5268.13 9894.33 13246.1 9721.2 11210.77 20560.2 16736.33 9340.13 2104.11 31165.14 35753.01 10648.87 7358.14 22086 15122.76 20141.87 12500.98 8282.99 20819.81 17237.27 10336.56 8760.7 1152.96 2319.04 7505.91 3682.99 4830.99 9699.59 8783.61 2032.52 631.74 8696.38 9184.21 1477.24 18722.08 23784.62 5927.05 1982.38 19879.24 12662.99 13675.87 2712.68 8879.57 11803.31 3675.26 3652.78 2869.15 3392.56 4200.41 4291.12 2598.7 2835.19 3552.63 3830.21 2582.97 2656.51 3353.3 3178.52 1802.23 2497.5 3660.37 2850.35 2867.02 1369.59 3903.3 3248.26 3415.01 2445.0 14502.9 13880.88 14083.48 14207.87 13851.92 14960.26 14188.94 13822.12 13885.66 Phe-Glu-Ser-Phe-Gly 524.88 4257.66 3163.88 610.32 3122.02 14521.3 1581.15 4343.33 3580.25 4055.05 2933.75 794.31 1048.83 4076.84 1460.3 1113.89 2444.83 12141.39 1991.22 1103.18 5392.34 1454.57 401.82 878.58 1791.55 5584.95 6472.62 2287.34 1148.43 390.17 2927.26 3118.87 7610.52 3963.43 5613.55 6270.21 10607.68 3685.54 1294.67 2434 6320.82 4674.84 521.4 2823.46 6073.94 2180.99 4693.3 949.01 1795.64 3102.65 951.49 6999.99 2733.41 2461.23 4360.53 8457.21 580.4 1750.27 8325.1 8439.64 1374.25 1153.72 3305.13 1171.75 5972.89 3845.76 4038 2572.67 3609.14 10293.74 10062.83 2186.76 3651.65 4090.51 6256.34 4256.85 4034.85 4166.28 4574.25 3460.17 4535.13 4806.73 5825.03 3949.28 Ala-Glu-Lys-Ala 363.36 893.98 277.47 439.34 2903.47 4148.21 624.03 770.63 694.04 747.53 477.88 555.44 11063.13 518.13 399.68 4383.52 403.82 1421.39 1055.43 597.77 481.19 1322.81 2911.43 3035.2 594.29 973.05 2736.31 2602.31 2408.64 593.12 1269.23 669.87 271.24 6202.57 957.2 2246 906.23 1627.07 2785.17 738.92 2270.18 1615.07 967.75 849.66 779.76 4334.84 1400.63 7714.32 7807.58 2832.41 4077.81 1030.51 3509.6 3436.75 488.57 1000.57 340.51 309.76 1297.19 1271 1506.03 1646.01 874.16 327.88 566.5 812.63 1298.91 610.64 1115.84 1535.51 764.38 4053.3 966.37 659.93 1894.27 2172.21 2220.14 927.62 2565.4 1422.64 1917.2 2200.83 1843.74 2660.92 Phe-Gln-Phe-Phe-Lys 671.32 1646.95 850.24 1003.33 2758.36 1804.21 1177.84 710.6 797.84 2079.87 402.74 719.22 1461.72 1682.48 1362.79 817.49 1497.26 1114.7 1195.04 2452.72 591.99 616.34 707.11 1295.1 1578.63 1101.91 928.99 1306.69 538.39 926.69 2302.96 1208.9 666.06 953.41 1149.03 1665.75 786.7 2693.03 1972.97 539.84 1204.71 1116.36 690.47 629.55 1388.89 1471.33 2220.51 951.12 422.86 1456.18 2227.17 2599.15 2357.04 642.43 727.89 1072.69 2096.16 982.35 1398.44 1377.18 1037.86 971.4 2643.25 985.21 1900.2 1503.85 1288.91 1785.9 2351.02 1651.07 1483.02 1590.69 1176.07 2547.43 3250.39 1655.19 1688.68 1680.4 1748.29 1780.58 1713.48 1681.42 1746.33 1678.62 Thr-Tyr-Asp-Arg-Asn 3435.25 4094.22 1437.28 614.21 3700.36 7575.69 2218.77 5619.9 3819.7 2800.18 1027.76 3404.04 1163.58 994.09 863.89 1234.01 1488.92 1735.37 2337.97 1703.38 3436.12 2005.51 2994.45 737.92 1036.32 1571.31 1944.38 1582.97 3269.17 911.01 2738.22 3975.43 2581.12 12072.63 14051.58 6645.74 6260.6 4299.55 10261.61 9500.56 8295.04 3476.68 11674.04 6932.34 5882.18 9174.06 5638.14 9466.36 8414.45 13161.95 7641.18 6477.89 13807.81 14394.73 7099.71 3124.45 12443.2 7888.66 8199.42 7492.49 10707.22 8460.08 5160.63 13172.99 6445.98 11325.87 10315.11 9288.94 10190.76 3502.6 2007.12 11542.31 12578.82 13833.2 20228.08 11960.17 11471.16 12019.17 11065.01 11502.66 11934.01 12167.67 12957.2 11469.73 Lys-Gln-Ser-Glu 1117.77 4332.19 11040.11 5873.96 1684.75 2853.6 1578.57 3145.42 1454.28 1462.18 1927.85 4605.99 1962.02 1162.96 840.39 3127.19 2529.56 679.92 2091.1 1828.85 1768.38 2096.03 1152.33 7358.19 1078.84 3268.31 2418.94 1325.74 1093.26 8967.23 1920.29 3484.16 848.84 6769.89 642.42 1442.04 1591.11 2008.34 2958.24 2904.21 1942.63 1767.98 6610.86 3375.78 990.92 5977.51 1267.08 4187.8 1796.46 2711.4 2316.83 2289.16 1432.54 4384.36 2867.45 1569.52 9138.14 7615.26 1065.9 2525.21 6279.5 4891.01 3601.55 9375.24 828.78 2600.95 2026.11 923.37 669.38 1062.38 2200.61 3533.31 2936.93 2548.82 8149.39 2161.58 2030.94 1771.7 2133.58 2144.92 1927.76 2172.24 2151.9 2098.77 17-trans PGF3 285.05 806.8 131.65 490.73 36286.04 99230.6 18493.64 1505.74 471.04 106.93 214.22 761.98 703.25 364.11 1082.3 525.84 373.15 325.66 723.29 717.24 779.1 136.92 221.66 318.11 1226.1 1233.31 347.57 660.23 115.13 156.49 601.83 792.65 119.34 315.45 1043.55 1256.36 858.75 142.07 353.67 878.28 13899.42 885.64 816.74 861.32 278.7 245.86 820.86 699.34 604.37 1196.07 102.34 1044.53 807.37 364.37 218.51 988.65 1005.44 743.85 251.4 2247.06 125.49 1030.41 963.8 961.24 524.02 1554.76 424.13 240.05 840.07 940.07 383.13 1017.27 99.47 1095.02 583.35 3939.09 3869.63 3940.36 3899.71 3912.57 3919.11 3916.25 3939.06 3859.97 Arg-Val-Ile-Trp-Gly 2248.43 6653.89 2741.64 3929.6 4950.24 3705.26 1198.64 3209.1 1614.38 1328.89 3548.77 2949.26 2425.71 4083.64 4940.5 3739.72 3416.81 11783.38 3934.9 1414.86 1700.51 4735.17 3214.8 4093.9 6833 2602.31 4067.92 2957.54 8595.26 633.01 895.17 9444.92 9153.73 5004.29 5326.77 4219.15 886.98 4779.57 4548.55 1235.37 517.89 3101.43 5805.13 2419.22 1099.24 890.95 2961.35 1424.9 751.77 980.9 2100.89 2966.55 6131.48 4412.41 1118.71 1364.55 2065.89 2518.02 1318.15 4606.14 2091.29 3835.44 5080.78 4463.26 2726.83 4414.13 2704.32 4288.14 2387.82 759.85 3465.19 3427.64 2502.73 1563.65 1327.16 3804.86 4000.03 1840.94 4810.89 4107.74 4150.79 4178.61 4197.52 4150.21 6-Cyano-7-nitroquinoxaline-2,3-dione 11470.64 18905.33 16155.55 12636.07 15877.42 15570.31 15005.63 13077.59 3059.71 15693.05 7658.47 12909.56 22610.37 15621.37 18687.84 14312.43 12720.62 12502.6 20714.84 2654.38 1702.34 9307.92 11764.02 14350.73 13753.58 13777.36 17573.27 11953.75 17405.52 834.26 6874.95 18156.49 13109.79 14366.85 12525.33 15997.2 11187.81 9925.23 11533.76 14403.76 4892.96 14589.26 16684.25 10646.44 13475.04 10867.56 11600.43 14218.98 11160.68 15995.55 5408.58 13855.2 17141.64 14078.38 10948.3 18626.99 14211.32 14528.69 13248.47 10122.06 13206.22 16492.25 11251.37 13287.35 12307.96 15806.16 6818.21 16437.04 13910.41 10884.46 10101.29 13940.02 13020.05 18595.32 8356.73 10589.54 11726.32 11648.34 11874.31 11729.55 11876.12 11873 11707.54 11646.75 Prostaglandin F2-biotin 444.69 3575.91 953.04 567.28 4867.74 2122.48 2007.42 1358.89 565.57 615.42 7011.27 772.45 657.05 402.71 10469.65 796.03 477.23 633.96 1003.14 517.43 586.98 817.58 430.54 707.25 737.85 491.83 366.18 591.33 626.17 783.11 1357.18 760.24 454.77 4356.2 3436.6 3370.45 4034.81 2427.48 2873.39 3588.76 3549.22 3446.02 3397.2 3257.7 2868.17 3468.58 3839.6 3514.26 2801.88 4066.65 2821.83 2662.64 2861 4955.98 4718.99 2563.08 3144.33 1764.31 3749.41 2650.97 2841.33 1075.68 1833.61 2586.95 2432.57 3658.19 4892.79 3134.51 3447.42 3803.14 3998.63 2156.04 2010.02 2606.11 2362.1 3687.5 4091.68 4133.27 4145.31 4028.51 3682.77 3828.76 4112.94 4364.14 -JWH 018 N-(4-hydroxypentyl) metabolite-d5 2559.32 1828.86 5380.66 3460.19 3124.42 10614.89 3145.75 4729.03 6166.84 629.95 4046.73 3172.73 5404.04 6188.37 3619.25 1270.68 3633.87 33800.51 4583.61 2951.14 4243.85 2385.27 4169.71 491.78 3562.76 5879.34 8124.84 4108.91 3309.08 420.56 2426.62 4751.52 3139.98 3880.63 4805.46 5165.69 8038.14 5552.5 26518.66 3836.68 2662.79 8579.13 5606.87 510.5 3527.94 793.09 3902.46 3454.5 3946.56 3576.92 3190.74 2839.98 2235.05 3561.49 11992.99 3675.34 3748.18 1825.21 3877.25 864.82 11100.28 12817.99 3519.76 3690.87 663.8 7899.37 5044.99 5535.06 3527.85 2422.1 4139.38 3204.88 7379.49 5893.84 3711.92 4546.45 4270.69 4720.51 4572.08 4910.67 4667.11 4748.71 4535.83 4524.42 Nap-Lys-OH 2700.25 2884.55 903.53 911.31 1649.49 2757.25 12339.46 6498.45 4836.34 1132.24 1010.99 1857.36 2499.5 1583 2183.81 4778.33 1926.19 1905.46 1945.57 2310.1 2082.17 1852.4 1878.42 1887.19 1554.46 1709.08 750.06 2388.06 2158 747.77 1720.48 5192.64 6736.5 2294.61 1620.54 1067.26 2899.73 2143.97 2675.57 2730.82 1970.23 2467.57 1481.22 980.92 3265.29 1768.49 1710.69 1243.29 3015.33 1493.39 1270.9 2213.84 1307.34 3639.83 1249.89 3289.4 6033.61 870.96 1923.19 2828.51 1073.59 3208.82 3636.03 2996.41 1761.69 3390.4 2687.4 3017.49 1741.64 7536.42 2070.87 1969.62 1689.51 2829.11 3234.3 3696.98 3385.53 3927.32 2814.26 3837.24 2527.4 3866.28 3698.54 3709.83 Ile-Nap-OH 23911.62 25084.71 27595.57 25885.88 23668.27 27541.13 28093.91 33564.82 29095.32 25676.6 27311.33 23545.19 21261.53 29270.3 720.16 26022.24 27258.07 25980.8 23918.14 24284.98 26806.54 553.39 18855.26 24442.34 25896.44 28394.46 25221.27 25320.57 25822.85 23822.45 35318.48 27168.53 20805.06 24909.08 23297.16 24915.51 23684.95 26348.38 24436.57 23562.95 19884.02 26606.58 28869.81 25189.01 27444.22 24606.03 28614.66 25770.96 26088.31 26572.66 24286.56 28081.5 21811.93 24408.78 27816.39 25938.08 23749.04 27127.46 21964.87 23458.16 24244.36 22928.21 25231.54 23902.1 21681.85 24119.84 19048.03 25587.15 25151.17 25373.83 32192.37 23664.79 24727.8 26079.56 24532.44 27014.17 27008.41 26931.32 26444.1 27024.98 27690.52 26951.59 26689.01 27025.74 Lys-Leu-Thr-Asp-Glu 7953.68 12612.68 12416.09 6186.38 3222.15 26065.76 14497.21 8451.53 9064.01 11437.95 7421.78 525.61 1868.87 2365.78 2021.25 6746.58 11774.57 14178.46 1182.91 14313.43 10306.7 14005.29 1011.08 1139.75 8800.62 436.23 957.99 608.01 1127.01 829.87 901.14 3361.48 4745.35 10898.58 8334.67 2301.62 10286.14 5728.15 9646.26 6503.59 15992.83 12446.2 5275.27 6357.85 13959.95 7682.51 4197.28 2072.84 1991.42 2600.89 6160.19 8913.17 5512.34 7421.51 4986.82 11087.37 4306.22 5088.04 1965.99 8226.33 5650.09 7784.96 7215.78 9258.04 3058.08 4507.18 16440.69 6785.92 5299.63 11607.72 6902.87 7859.34 5507.49 7362.38 8518.4 8258.89 8015.17 8516.14 7945.2 8262.23 7928.29 8225.74 8412.35 8024.57 12,13-DiHOME-d4 2035.73 2050.4 3147.45 1032.31 3440.97 869.67 2030.52 669.11 1455.28 1329.81 1475.26 1274.66 1613.57 4684.5 1887.36 528.54 1923.35 3929.65 631.57 7278.06 1271.49 2581.25 2204.55 2176.64 1313.3 1206.27 2045.57 1058.22 1744.41 1523.94 1991 1052.47 2773.06 642.85 1249.08 1065.12 1932.37 3045.29 1320.19 3199.31 926.54 1376.11 2209.16 1119.59 655.7 1489.66 2442.14 3284.93 3414.34 1760.6 1207.57 646.6 4085.72 1462.68 1833.02 1648.33 1672.82 1549.13 716.95 874.74 1063.59 537.71 1920.68 2080.77 2531.87 1588.23 1074.43 1505 1490.49 2488.92 3123.69 1957.05 2266.71 1588.72 1634.03 1502.98 1523.34 1570.9 1465.86 1440.19 1545.62 1451.55 1464.76 1533.94 Phe-Ser-Gly-Thr-Trp 7216.87 12417.57 3296.27 1446.7 17212.53 15408.52 9831.84 23935.65 9344.42 2968.85 4872.53 3015.61 2829.74 5120.43 6212.83 1678.21 4370.59 7329.83 10928.77 18124.58 13151.08 5981.59 3515.85 5467.21 3570.21 22582.21 4036.84 1583.93 3817.9 4546.26 17757.85 6743.92 10147.1 5898.12 4174.41 7552.89 13934.51 9352.04 2918.11 4573.92 23255.16 9491.29 2332.02 4987.37 9707.6 11278 18409.22 7729.34 4137.55 15225.01 15342.83 9999.36 3767.55 8037.97 13012.96 15165.62 1279.76 3999.62 8704.92 8726.72 3282.32 1045.54 8451.71 2670.16 4838.4 10720.77 7123.68 3559.11 8023.96 7578.38 10395.15 11226.84 1136.66 5688.3 2772.55 8650.72 7285.77 7431.47 7097.07 5011.4 8353.43 7441.48 9300.15 8110.39 Pro-His-Asn 5940.31 4340.57 6999.71 6636.81 3569.22 2896.04 9328.74 2795.07 4316.38 2990.63 3450.88 6308.4 588.17 4216.78 6426.15 3687.06 4574.63 4755.57 3147.6 4977.47 5396.72 3619.37 6259.79 6308.2 5107.2 974.53 2243.37 3515.03 1085.38 2917.28 6000.46 2305.32 1994.36 3573.56 1327.1 2815.47 2273.97 511.54 889.22 5467.5 1301.5 1450.55 3976.54 3381.71 2715.32 7171.76 3532.79 3596.57 1161.51 2989.43 1955.45 2722.46 4119.07 1985.99 6473.21 2321.85 6846.39 4828.16 2443.31 3711.21 4409.27 5820.28 1831.2 5400.45 2412.94 4213.88 897.65 1743.31 3766.36 2366.75 4612.8 3069.99 5578.65 6713.97 12391.07 3499.47 3483.34 3444.25 1691.98 3266.45 3520.69 3501.74 3290.11 3225.3 alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc 1691.62 2286.23 12669.73 15174.29 2158.36 6127 14936.2 4308.48 4091.03 8229.61 17498.89 14991.52 13582.66 14796.12 5371.6 15599.3 16159.71 5437.7 27392.93 5062.49 7904.33 2809.8 13722.92 18580.54 7600.97 3571.01 22305.71 26347.29 5599.68 13501.65 4389.77 27363.69 2278.1 25747.51 20221.89 12296.5 2553.74 6753.25 17657.25 15264.76 1699.58 15212.62 19258.86 12723.36 2177.12 14791.89 2449.68 15992.66 4283.33 17927.37 8254.44 9382.25 18429.67 20795.1 8743.59 2846.43 10675.37 15341.53 10006.84 5384.72 13079.63 12161.36 2756.71 14723.02 15073.69 10547.76 11803.52 14030.2 15577.98 991.53 820.35 15427.78 16342.88 20870.2 18531.15 12364.79 7157.37 11581.92 11635.14 12543.3 11441.87 12334.13 12307.65 12179.49 Thr-Leu-Pro-Pro-Gly 15403.85 19320.22 10955.59 16296.66 25659.58 28819.62 23626.07 24766.12 22468.04 30308.67 14630.09 30693.59 30450.06 9735.96 18828.43 15402.11 9689.63 28136.1 13992.28 46614.4 19951.76 15237.23 13923.83 16534.98 18090.81 20622.75 21419.77 29555.62 6457.14 5318.52 35416.3 40226.98 16374.64 28691.8 4048.65 13709.03 20368.13 6242.75 21512.04 11391.86 57846.37 33473.24 12807.46 12379.72 7067.47 19425.5 18153.24 32065.34 23884.69 27038.61 20767.39 22159.3 35994.42 16700.94 17396.26 15189.94 2012.69 2702.75 17532.5 4132.38 20949.35 14977.1 15515.36 15917.34 2330.29 6895.48 31249.03 24867.38 23176.54 6167.87 6838.14 21643.15 27128.18 1571.95 7479.82 11314.08 8433.38 16637.72 11091.49 8998.51 7722.78 3870.17 9098.85 9115.89 854.79 790.42 3827.48 3801.36 7013.4 2515.72 4545.03 3599.67 18932.14 7143.16 2429.51 7090.75 3089.04 5865.2 8640.91 16816.79 14567.18 13899.81 7660.86 12544.37 14745.18 14679.56 14730.99 13547.43 13151.78 Leu-His-Gly-Phe-His 91338.62 71180.6 37752.51 43349.99 89828.4 81447.56 5065.32 201222.75 181248.55 115626.05 70497.56 169887.6 71667.75 84331.42 148992.1 105415.36 56910.2 156848.19 142341.14 138476.44 137904.65 81855.8 58555.27 100792.64 158682.25 116781.75 4326.15 83572.27 334059.01 139808.54 131369.36 312397.14 108134.76 78630.74 95562.69 204191.3 205763.78 93809.93 58580.43 50475.77 62787.98 244516.39 90110.18 34564.61 133847.29 54245.76 129338.76 131675.14 185340.41 251051.73 141444.3 98505.52 47058.15 48309.55 173137.63 81731.99 23764.33 27436.78 159656.66 71601.2 41899.32 80318.79 149359.52 117981.57 44225.64 138899.96 112650.94 109677.21 84396.78 128460.74 84938.55 122290.89 147179.04 116616.86 135621.68 147911.75 146815.07 154379.91 152595.19 147001.64 146751.11 154064.81 157197.5 148785.98 Pro-Ala-Asp-Lys-Thr 3161 2248.21 1866.65 3534.56 12854.26 1040.99 1558.82 3639.48 2199.64 3019.72 2792.76 830.35 6767.11 480.21 1664.24 5585.67 981.62 5971.5 2067.75 1215.85 1126.25 1486.31 2694.93 3024.36 1935.07 1641.6 4490.37 3461.1 839.8 720.71 3378.9 1353.13 2116.95 3792.61 2858.51 4752.34 2685.93 635.74 4033.45 3700.65 1980.66 979.03 6263.7 3488.82 931.43 8557.83 594.28 6431.99 6522.17 3719.25 4409.49 2950.97 5578.31 5434.51 2575.98 4316.18 905.77 1050.23 1016.13 629.16 2879.26 967.68 1642.28 3973.24 2042.86 5771.54 2599.43 4508.84 3962.13 4973.44 3157.74 3268.62 2916.64 4680.45 4321.08 3335.13 3291.88 3458.76 3320.77 3470.72 2599.61 3457.86 3302.59 3257.2 Ser-Arg-Tyr-Glu 5837.96 7852.49 7249.15 6543.37 2533.87 5040.17 4878.84 7198.3 8442.84 8127.62 7434.79 5343.87 1142.74 6908.88 5303.67 6791.13 8891.3 7288.47 6926.26 5567.7 7362.38 6964.4 6540.33 5380.06 8552.89 6064.36 6477.08 581.57 2384.2 5992.86 5364.86 1466.46 6842 7589.6 7079.07 3191.71 7513.56 7069.05 6919.4 7712.3 4156.18 3049.73 7724.58 8341.9 4238.42 5438.46 6882.69 6648.21 2671.32 1745.33 7122.1 8968.31 7353.3 5416.19 6311.65 7572.49 9685.09 8155.8 7833.74 8685.04 6582.41 9033.84 6486.04 10085.85 9160.49 7165.17 6529.67 7485.79 8673.41 7697.3 8018.69 6873.46 5979.37 3374.67 4105.65 6462.05 6683.9 6437.99 6650.84 6463.76 6523.99 6640.25 6478.19 7115.19 N-Arachidonoyl-3-hydroxy-Aminobutyric Acid 285652.12 67185.69 21199.3 28199.01 36860.31 1071.17 44105.12 77790.52 168941.46 90112.95 63993.39 13377.73 67206.86 71185.8 40527.95 25793.03 16511.79 13586.08 107265.7 38942.16 39222.84 643.29 29815.05 133431.35 88647.57 51719.42 248422.73 172546.25 33867.34 14480.85 28137.96 54319.43 763 164964.49 53107 61837.1 71427.28 38976.73 153109.81 43358.97 37691.15 114857.6 49936.95 73537.04 145696.72 64301.26 60691.08 26320.55 159329.34 81071.87 173701.81 26600.26 42614.82 55000.49 57289.12 43629 16654.25 21715.49 26769.14 12560.33 69503.95 57369.88 92113.4 33654.14 13138.46 107599.89 47814.12 141996.96 41050.81 84904.14 128790.42 125241.68 39507.23 34714.2 111645.62 67672.07 68285.82 67647.84 67651.63 65068.87 68076.01 68287.56 68108.36 68303.63 Pro-Asp-Asp 70003.55 58250.04 53951.33 58162.8 77891.5 56353.65 67364.76 75798.73 71630.32 70500.18 52361.67 25520.36 41302.07 44303.2 72345.79 56805.54 59507.46 61894.25 41128.99 70612.71 62150.21 52795.42 45744.42 48794.13 68089.92 78417.46 71467.91 71212.55 75936.59 73316.63 51228.99 46805.89 53738.19 67810.63 74411.98 65606.57 79235.56 60221.83 62930.83 71706.02 76375.5 68690.75 69474.74 55572.49 64286.67 64069.77 79899.25 51222.94 68604.05 35968.97 7354.09 61614.83 68578.17 63049.02 60915.03 48008.97 58978.33 67072.66 75606.77 69716.69 51600.2 54640.4 67721.48 64345.53 51781.83 60175.36 79585.81 59853.46 53344.08 65929.57 66548.17 56346.1 71273.95 68041.22 58276.62 60713.73 59866.98 60294.23 59991.82 59790.91 59816.85 60300.63 59739.05 60310.26 Phe-Arg-Leu-Phe-Leu 5056.53 2067.44 710.03 3593.11 1696.58 4923.8 7071.66 7588.09 6270.08 5060.11 3619.55 4177.35 1426.86 2662.89 929.18 12432.37 1429.84 6544.96 5258.75 5372.74 1954.81 2888.75 4499.39 7688.02 3175.86 1938.92 1944.63 2688.22 4437.35 4362.14 3921.37 6896.39 2362.9 4120.62 3705.53 10419.6 4094.15 4690.19 4588.94 3813.33 4788.92 8066.31 2721.15 2218.3 5467.89 1688.15 9618.19 6114.86 11511.58 12132.02 11831.35 5060.92 7293.94 7816.22 5218.28 6659.21 3902.08 5614.91 7400.33 5905.45 3840.87 5268.76 7313.03 4364.9 10730.51 6631.81 5288.28 4832.98 4724.56 4491.7 9443.53 6214.88 55725.93 89393.11 4535.57 5893.7 11384.36 4031.69 6540.46 6169.72 6557.0 3932.43 4657.76 6546.64 6097.95 6420.08 5736.61 5314.15 6166.36 4487.11 3763.29 6176.54 5766.25 6337.53 6209.82 6124.28 4499.92 6442.56 6930.56 6301.89 7485.45 7072.12 7983.41 7305.08 7091.63 6557.62 7438.49 7002.67 7439.22 Asn-Asn-Asn 13524.51 13315.13 14804.33 12721.94 14262.29 9650.12 9407.28 12351.25 13671.82 12688.28 3965.67 7868.59 8532.51 11442.16 11436.68 10470.6 10331.99 11510.75 13218.29 9687.87 9135.92 6184.57 7695.02 14605.95 14511.76 12796.46 12536.66 15008.96 14912.96 12884.83 12126.61 13832.59 7793.03 13623.89 12695.78 14289.28 12741.81 9047.16 11707.45 11219.1 9900.26 10697.08 13535.09 9938.12 13691.89 9387.97 12491.62 11355.48 9905.04 10896.32 9461.56 10689.52 11491.1 10863.05 7918.68 12227.72 11641.87 10677.28 11950.77 8592.48 10995.55 11528.11 10968.92 13552.75 12727.26 12492.87 11567.53 14355.81 12508.17 13535.83 12429.56 12109.26 8725.4 11055.82 11301.88 12069.29 12124.45 12221.5 12224.09 11970.16 12121.27 12238.64 12347.57 12221.71 Val-Val-Val-Gly-Gly 3667.87 1473.08 1256.12 2236.8 6950.45 3229.91 8518.95 2337.2 6093.69 9141.1 5676.03 7680.54 13854.6 8035.16 3225.17 4241.87 3572.46 6160.53 5045.92 3826.03 4914.41 4593.15 4655.31 1022.2 1561.18 8023.46 6026.03 14068.16 3964.6 6454.91 11905.01 14911.23 1352.53 9271.49 13803.12 5587.82 2075.85 8400.14 7348.28 3476.96 10741.59 6651.05 1346.22 2180.94 8090.94 7140.74 7418.72 974.87 25309.48 13052.21 7177.13 12154.99 6555.97 12542.34 5073.17 7691.24 2847.7 758.38 1802.18 4766.26 861.99 3157.6 4930.07 1161.49 1902.14 4670.22 8324.46 3062.76 4410.8 6394.14 749.61 9458.7 11908.94 15724.71 5391.78 5789.72 5711.27 6826.24 6938.59 5559.65 7191.93 6789.33 8425.94 6450.59 Leu-Ile-Thr-Arg 49028.6 60000.97 28609.5 41620.96 40048.27 45841.39 49221.37 33512.92 34899.27 48580.47 5428.16 17734.17 2107.16 4933.59 43443.16 37068.17 40162.93 44569.84 42192.44 39227.01 29521.56 22145.76 22031.78 33169.31 40892.39 52894.12 42603.33 39436.6 3555.22 46036.72 39853.93 34445.06 32634.16 48276.1 36675.51 51290.8 46563.89 52117.05 41164.46 40926.52 46787.59 39020.32 38236.33 40089.04 40235.24 26679.02 36515.45 44217.9 21097.1 30483.16 39994.98 47612.75 41547.94 29435.03 33727.45 44368.47 33508.81 31877.72 44593.65 45631.24 34957.75 36631.22 42564.22 40535.02 37931.7 31598.61 45265.89 37518.3 41056.51 37228.55 49987.14 41644.63 31361.69 41608.85 33092.88 39881.9 39830.62 40565.9 40095.14 40551.37 40538.08 40539.23 40579.65 38430.1 Asn-His-Lys-Asp 12325.23 8056.76 3420.27 823.12 9003.07 6647.7 633.1 13430.71 17572.96 6331.87 1460.61 3914.59 2442.27 3459.59 12085.47 2459.05 4372.35 8058.82 22848.46 19207.37 18053.94 17917.74 1810.72 5082.64 17980.03 7936.69 1348.02 3990.71 32646.76 15056.47 4128.24 15525.19 3184.99 2947.71 2190.68 1456.91 10251.83 588.06 2732.53 2074.5 2213.25 29103.1 2092.66 2084.77 4707.84 3363.63 28974.87 20547.5 27357.4 8622 15899.02 2743.2 3783.15 4469.25 12304.53 1004.06 999.58 844.34 18952.79 1427.92 3240.58 2257.32 3407.44 1948.93 3693.75 4703.92 4609.14 1917.09 1039.13 3471.57 1663.4 5627.76 1802.65 1274.05 2476.73 5417.78 5139.32 4182.69 5457.03 4519.02 5207.77 4549.07 5139.73 4583.45 Lys-Phe-Val-Leu-Val 50948.85 61248.18 39816.27 52920.68 59235.64 77562.34 36315.3 27240.75 36693.03 36458.75 21811.42 33220.2 44476.23 57430.11 35320.89 44440.08 36384 53113.27 51719.06 52475.6 38749.73 33634.64 30517.26 24125.03 32122.76 58993.59 32018.31 32782.36 57019.47 61162.77 57597.91 74299.04 38217.14 48076.43 33108.49 47055.28 40384.8 67216.64 36588.24 41978.25 69783.11 61203.48 38087.17 39396.33 58871.22 29974.18 44995.81 42081.88 45652.41 92132.59 54977.42 54687.18 38475.74 45680.21 38410.86 46385.57 36468.5 24395.14 31716.33 31692.95 35086.68 30351.11 36598.55 35375.59 27802.56 38940.47 64557.7 36725.41 33059.1 30789.32 39423.26 37009.68 31537.21 49581.77 40669.14 41301.4 44094.71 43856.68 43412.9 43451.45 43823.92 43776.95 43403.17 43863.64 Arg-Ile-Arg-Val-Met 4803.43 7743.26 1888.72 2942.26 1951.78 5181.29 4118.88 4939.74 3691.45 3167.89 2051.01 6273.73 6222.54 5292.05 6661.77 2777.09 4223.64 10261.1 5058.91 4915.81 3120.16 1732.3 2311.72 1590.72 3251.44 3088.71 2445.4 3855.05 6589.57 1944.72 6318.71 2787.44 10249.59 1223.32 3109.22 9404.36 3527.31 2207.09 1996.13 2889.62 5011.6 7262.17 2374.35 2347.2 9459.62 5148.27 7087.61 3621.06 1290.59 9705.45 4034.59 6825.01 3675.94 5538.77 3401.11 6914.98 538.4 511.06 2286.15 2904.78 575.81 3002.47 3627.07 1455.87 3679.5 8284.24 8019.3 6902.02 2891.58 2098.34 4203.67 3597.27 3398.41 2033.78 2780.18 5194.23 10259.76 4502.36 6245.09 5475.81 4426.41 6011.88 4340.68 5311.96 6853.75 3373.38 5556.15 4892.71 4632.87 3935.8 3047.86 5418.25 7988.52 5804.11 3933.38 5482.59 6716.07 3311.46 5517.06 6037.12 4795.33 4873.36 5041.42 4796.93 4845.65 4794.43 4822.03 4871.71 4815.5 Pro-Lys-Lys-Val-Gly 2297.87 3877.52 1366.42 584.37 7688.16 7748.82 5844.47 4304.44 6739.82 590.73 2927.4 6104.92 664.57 648.22 1209.06 1765.02 2748.38 956.41 4539.82 15942.38 6803.08 615.87 2479.28 827.69 511.34 6865.79 3319.83 3948.51 9333.77 3908.98 9354.64 10029.53 5724.99 4397.88 266.34 3915.49 4996.98 2744.36 2434.38 424.31 9966.56 8242.2 2152.53 2514.43 12397.46 6658.28 10190.05 5945.68 1355.11 8863.84 2271.52 2199.31 1370.45 2906.48 3396.74 861.1 1501.55 655.79 3087.57 2896.01 1180.78 1574.1 4028.64 2258.19 976.54 5040.79 9717.76 1989.12 5634.33 5205.22 5728.89 5607.61 2408.1 3123.6 3678.01 6203.56 8957.7 8277.83 7589.22 7315.12 7679.78 6908.75 4408.18 7749.56 Val-Thr-Pro-Gly-Gly 1374 62395.32 33898.01 44181.58 3284.04 78004.19 4010.35 4809.63 20724.42 4804.11 18001.35 23356.7 42728.9 44991.34 4332.41 33760.41 34533.88 63178.01 35768.71 30682.54 1432.36 2259.31 4489.06 37447.28 16179.17 2607.66 5721 16670.85 29022.51 1413.39 29841.31 4157.19 18285.53 25877.17 39493.82 33054.46 20869.62 44288.42 17192.13 33707.07 34929.49 20407.84 42716.52 18376.13 35263.11 15931.3 29622.57 27983.83 23660.72 88839.96 15020.04 56402.26 22758.08 53502.23 11503.08 71201.78 17181.31 29173.4 9962.79 49902.71 12442.84 12268.5 31286.02 27587.32 22541.39 35658.04 36659.28 11430.46 22167.03 20516.68 14209.13 22757.53 35550.07 57034.66 42469.03 23177.4 24014.84 24449.06 23484.23 24471.82 23214.03 24573.53 23484.57 24175.05 Leu-Leu-Asp-Leu-Leu 22596.18 10482.74 12296.61 29044.91 13389.89 24614.37 9708.03 14931.66 3812.07 5302.09 3706.6 2533.04 8718.54 5780.33 4745.84 4011.72 4166.37 1351.95 7493.72 2747.13 7627.58 6739.6 10928.4 4156.7 17787.63 16351.4 19943.08 5970.72 20952.74 17563.08 3881.49 8585.49 7111.89 16039.5 6329.25 9688.41 17711.43 8054.88 15034.82 1242.4 10775.75 14463.56 20697.89 7409.3 6980.42 5464.58 4334.17 18941.3 20844.15 7458.25 6243.87 2840.38 5518.13 6141.77 2425.32 2712.2 3833.11 4526.37 4460.31 3198.79 2905.87 1346.68 4112.58 3800.37 1514.64 2448.84 3551.41 4520.95 3953.27 4474.47 3478.75 3348.15 9436.05 64075.97 3713.44 2795.14 2651.37 2837.19 2793.73 2600.65 2407.05 2816.9 2584.49 2584.26 Arg-Thr-Asp-Arg 561.19 5046.71 19200.21 15029.46 3706.77 44768.04 11561.81 2562.91 4132.87 1962.86 2917.9 4783.16 1218.3 4257.79 8745.55 1307.61 8293.61 560.48 4678.93 1997.59 1894.27 21534.73 9523.18 9066.4 393.39 1919.59 3892.44 3651.81 8674.47 871.31 4913.1 10573.91 2433.14 4823.76 12364.7 1577.26 3545.09 24403.33 7463.45 5993.67 8663.54 3161.41 11344.03 5829.9 2628.53 6286.27 5066.81 2886.24 499.56 4565.9 1082.81 11715.58 11184.09 14176.12 2146.85 32894.91 23042.79 13590.56 914.84 21657.92 9967.8 10847.77 13492.23 12250.54 7057.81 1716.56 4119.05 647.1 2819.13 939.05 4997.19 5417.56 2092.72 19907.44 11716.88 9887.87 10283.53 10320.66 10304.8 9839.66 9869.24 10288.28 7607.66 11349.84 Lys-Gln-His-Lys 2284.61 2181.27 1006.75 507.85 2275.98 1693.36 561.4 1205.7 2135.23 301.9 593.68 2663.94 3206.96 759.27 1040.95 1773.78 1568.54 3251.38 892.65 5636.7 6021.99 1896.51 432.1 741.04 1093.75 729.34 1163.36 602 2405.47 1058.83 1263.31 2188.96 691.38 590.63 1028.39 2446.14 2017.06 505.94 1348.26 1057.28 4620.43 2685.41 489.69 331.48 5533.62 1171.99 1929.24 1909.66 2520.67 4586.22 2736.67 3250.39 800.96 898.2 4343.22 4341.3 1590.21 366.99 1540 858.57 667.08 2257.73 1336.48 2742.68 273.18 4716.22 5195.6 2831.46 541.88 2438.15 2290.47 582.98 640.24 919.27 1227.34 3527.67 3367.97 3554.2 3651.38 3710.59 3336.19 3311.64 3348.34 2131.73 Phe-Leu-Val-Gly-Gly 5178.3 8780.92 479.33 881.85 6322.35 9576.64 12056.18 8411.4 14236.59 14494.55 6320.17 1902.58 1663.54 1315.67 7601.14 6408.27 2223.17 10823.4 8211.57 17232.41 8600.76 3707.01 6578.91 2976.04 8883.47 9392.9 5743.71 9572.24 1304.43 2993.79 5003.35 4586.17 5358.28 8874.42 3946.62 1283.88 6859.01 5720.97 4574.12 5612.79 14423.28 11612.07 4357.21 2387.05 9786.54 3882.43 4234.64 2774.58 4265.88 3366.95 1388.93 7158.78 5249.15 2642.21 6770.78 11055.58 3982.23 2107.99 6671.87 625.27 5055.59 6552.76 2255.04 2613.68 4946.37 8324.35 4338.08 2820.04 3274.27 7424.4 7784.91 9883.06 5848.49 6460.58 3851.36 6689.5 7626.03 6772.68 6831.33 6630.35 6619.12 6990.97 6599.62 5073.62 Medica 16 90451.02 166467.91 140932.57 6912.22 174303.9 63552.61 88010.53 46246.63 175178.12 114800.12 7026.46 18066.29 13378.51 6765.01 32575.31 70285.18 59504.3 8704.79 123257.21 85380.83 99888.12 7568.42 96924.7 11163.5 52748.94 194382.67 115526.75 80319.9 23447.12 116435.4 104253.76 107592.92 7988.2 19846.14 3548.54 26702.01 156324.19 146529.49 22711.63 8690.18 28308.82 33007.64 383699.17 67142.63 23238.59 62492.62 13907.6 305318.68 27774.95 61713.3 44545.88 33835.99 42723.41 9890.39 18564.91 182372.39 101266.39 8388.85 13641.45 52802.34 31493.46 39256.74 11227.58 108369.91 52266.47 19115.36 154491.33 108614.54 34558.72 82056.32 232264.56 70004.02 122169.37 23310.75 19826.83 40899.99 40535.93 42084.24 42184.45 40754.2 40816 43038.61 38988.98 41750.23 Asn-HoPhe-OH 12604.33 8484.16 9376.22 11725.52 3242.86 2751.71 14633.29 10216.73 9867.55 15677.95 10795.04 10341.17 8623.3 7920.62 14427.51 3280.65 2324.25 14573.51 4050.75 23133.42 4056.36 6546.78 1734.76 3704.97 9721.2 10033.69 1800.39 2331.13 4521.77 6859.54 14062.65 8724.57 5132.33 2299.99 10746.25 6476.51 19195.79 8243.24 5260.53 771.81 9548.11 12416.84 1522.87 6425.66 8160.63 10642.6 11241.97 8168.47 1467.01 7871.11 7275.23 3018.3 14865.36 3374.81 11966.12 8298.76 5682.23 13584.5 2107.02 13728.39 2224.96 5799.34 16879.22 6673.08 14860.24 12213.66 1958 993.19 7565.87 12796.53 9953.87 12595.67 4273.31 8666.53 8751.95 10538.25 10499.27 11141.1 11102.93 7425.38 10621.61 11661.16 11163.66 10307.37 Pro-Tyr-Met-Ile-Phe 5208.05 6419.84 3052.12 4121.79 8354.28 9115.69 2283.62 7808.97 9549.37 5621.25 7163.3 11553.43 15023.88 8028.78 7445.34 7699.26 2768.87 7867.8 6191.81 11960.65 8368.98 7041.34 2879.85 4395.96 7758.86 1034.15 4527.18 490.93 21973.92 9431.01 10149.97 1246.41 5118.83 4994.06 4589.7 14749.79 5428.69 6230.07 4833.39 2281.24 13196.77 15858.37 4305.78 2463.47 6915.48 3290.38 20423.32 7693.14 10342.82 14974.76 7771.71 1072.68 4626.79 5500.6 5584.51 6613.92 2682.41 1547.68 7040.71 4519.79 3176.32 3583.36 5039.05 4072.2 1647.56 8875.48 8217.85 6966.1 3602.01 9997.81 6189.76 7886.9 4208.84 5691.29 7414.22 7537.29 7283.36 7538.4 7314.26 7447.54 6173.55 7345.29 7290.48 7550.45 Ser-Tyr-Tyr-Gln-Ser 28809.03 1012.89 1622.33 2388.86 25548.35 14153.04 6920.56 66645.02 34552.54 12839.63 7183.16 18247.72 7585.36 453.85 19351.26 15543.13 7661.44 39055 470.02 24980.15 40319.28 5105.5 6518.84 5255.01 56681.69 19114.08 8775.88 22053.19 77242.93 44927.34 45053.09 33553.24 13799.5 1577.32 811.09 73947.92 42468.59 8146.33 4780.34 2027.19 20756.96 51548.06 2321.8 9376.71 64757.41 2761.98 50761.91 12978.57 76382.2 23571.65 47110.37 6633.91 3054.77 8414.07 11001.35 957.46 5173.74 767.41 28200.5 1219.97 1751.84 688.37 2426.78 2910.68 7283.38 12897.05 9051.29 9463.16 13155.7 22219.22 10029.57 11361.49 4963.44 2499.05 824.46 18746.77 18549.18 19035.58 17960.78 19130.46 19316.69 18710.03 19121.25 18040.3 Val-Leu-Ala-Leu-Leu 621.01 3114.84 2740.05 2470.9 1333.45 2248.3 534.4 4702.34 5761.73 4304.38 2607.87 2575.31 3309.06 3711.57 5463.59 5842.17 2855.36 4977.31 7464.88 4887.06 2243.15 2032.02 2055.2 4238.21 806.47 3389.8 3526.13 3138.5 4748.95 3055.27 3321.78 3125 3371.25 1161.62 3193.33 3303.97 2942.96 1582.69 2284.54 2706.73 3067.05 3640.23 6434.82 1808.03 2575.24 3905.94 4552.83 4497.62 2931.6 2162.77 3017.08 954.48 3945.12 3494.1 3747.97 872.26 1520.23 3442.94 2596.49 1198.02 2341 677.1 2861.02 4120.88 4633.04 3825.35 1187.08 2102.29 1726.97 4091.65 3337.96 1337.83 2974.1 5443.22 2900.51 4294.73 8964.95 4446.5 4731.82 5415.79 6066.58 5012.1 4648.75 5109.0 5764.79 5814.47 4711.95 5361.26 5649.7 4494.37 4697.71 4647.05 4554.47 6032.89 3954.97 5141.05 5011.09 4137.29 4200.53 4812.13 3193.45 3350.78 3171.35 3025.57 3014.36 3165.66 3115.6 3102.96 3317.89 Asn-Ser-Lys-Ile-Val 1786.74 20388.66 7169.1 11492.17 8190.98 8470.23 17296.81 15162.18 14378.77 6356.25 9282.48 7150.58 3611.28 1668.1 538.18 7048.5 1922.38 5799.36 3016.12 16119.94 8445.76 7113.56 9716.57 12811.94 735.9 2325.36 10164.08 9963.61 735.84 11787.45 5976.85 2301.35 1882.63 19955.07 14450.54 7285.77 9248.82 11147.5 9184.76 7930.37 13364.56 19405.24 6231.74 8406.38 5247.75 14273.94 8361.24 1023.59 4030.74 2266.4 9374.09 9255.82 7039.81 3631.9 13335.02 8671.38 10904.38 8448.94 8470.08 10568.84 11103.89 7534.32 12971.08 7953.04 9179.25 12095.34 10403.15 6270.66 9690.52 6745.65 11237.74 9751.94 8564.18 10847.89 10056.51 10596.05 9549.04 9973.25 6786.37 10014.92 9464.46 9497.49 9096.93 9988.26 17-Ketostypolhydroperoxide 8045.08 6978.23 1391.46 9801 3593.71 7624.63 10655.08 10551.87 7346.51 6525.22 10535.15 1149.96 1010.92 1650.9 1380.8 1321.01 6971.19 12284.11 6851.09 7742.84 2860.11 3112.3 1218.02 2192.43 7068.77 7509.79 7821.4 5433.53 4302.56 7734.64 782.39 1664.95 1290.12 7531.74 6298.03 5390.56 6839.87 6739.5 6409.09 6524.08 7596.17 6632.61 5690.93 5885.75 6204.99 6862.74 7518.21 5959.7 4245.79 5857.37 5649.12 4186.1 6308.98 5663.6 9322.93 6790.11 3957.36 5842.38 7245.17 7366.46 6489.38 5764.04 6326.29 8436.77 7783.02 5502.07 6715.14 6454.1 7594.85 9283.67 7335.24 8165.45 8561.23 6455.3 8165.17 7244.63 7196.49 7642.53 7221.23 9140.01 8102.12 6682.12 7332.02 7609.65 2,3-dinor-6-keto Prostaglandin F1d9 1604.89 1564.21 1309.86 10842.94 27166.08 33425.73 23339.58 7162.14 3420.67 2113.24 2495.24 2245.25 11008.15 2229.78 3083.44 1514.36 402.34 2601.23 732.35 1998.51 3850.8 6774.78 3679.33 1876.82 2128.17 2433.6 1600.73 3280.93 8500.91 948.03 2323.83 3296.02 1037.49 5846.47 2678.15 5866.67 2538.61 5472.61 4586.06 2048.31 16235.64 3147.18 2605.87 2932.16 1679.27 10462.14 2406.16 4751.83 1970.51 1722.96 4993.19 2934.32 2217.02 5778.79 5681.52 2845.2 1141.68 903.39 2096.67 4468.28 1398.18 4609.05 3592.27 3048.43 1165.31 4355.63 3455.63 3508.1 2852.84 846.16 1953.49 2666.23 3480.94 2846.23 6016.01 6175.12 5998.06 5997.12 5915.73 5913.29 5545.53 5913.47 5912.77 5997.22 TyrMe-HoPhe-OH 17201.85 22366.08 13777.33 11299.43 1975.1 5046.26 17733.09 20224.29 18461.98 12694.34 10035.89 10642.27 13951.15 7372.37 35186.56 23725.26 21476.45 29073.45 9140.52 17395.17 11155.84 1873.61 1719.39 11955.02 3310.26 18696.36 11919.99 14016.85 17120.52 5244.08 22684.13 6409.78 9754.76 21447.39 22225.74 3832.69 24851.03 15063.8 10935.09 22276.23 7847.96 11916.48 18949.05 9470.77 18316.78 22852.3 19816.28 16657.6 2882.28 10863.5 12192.38 18726.29 21136.13 32398.34 17035.37 18523.56 14949.94 32200.5 21399.11 17412.12 16514.23 8753.35 23166.3 29866.12 5557.8 22754.31 22076.78 9834.19 7164.28 18015.7 20163.39 2030.12 22543.7 35686.44 23030.57 20010.46 20688.33 19989.53 19894.15 20015.53 19556.61 19708.96 18093.68 19562.02 TyrMe-Phe4Cl-OH 15491.19 3817.44 4130.15 3828.45 11202.39 7374.85 6977.79 14598.13 18872.24 13092.34 7568.45 11862.43 5311.22 7647.99 11927.04 10934.83 5459.46 12177.24 10670 16699.69 14055.54 6025.35 4026.97 7498.02 14763.31 814.94 10252.01 13170.05 15040.22 17067.15 14800.17 8722.7 11555.1 5735.27 5664.73 14692.5 16149 8546 11892.74 10833.36 18322.46 12225.55 5429.43 10660.59 11034.55 7566.14 15116.95 12225.12 13834.32 12808.32 11725.44 8142.32 6126.83 7929.13 13250.3 9437.02 1239.04 1690.24 12614.45 5396.52 5873.31 2924.66 9742.08 6992.37 11304.84 11460.81 14459.57 13631.05 14723.97 13514.16 16532.22 11362.23 15592.4 10654.97 9477.06 13536.28 13432.79 13235.04 13237 13423.55 12671.89 13434.82 13243.73 13537.15 Asn-Ser 10970.7 12181.52 27232.22 24736.86 11427.33 5152.9 37468.74 18753.86 10130.25 28862.91 32128.05 32031.49 18457.69 33914.23 15187.67 47019.31 27385.7 13636.97 43443.08 21661.21 21305.52 12730.11 30446.51 39883.14 18367.34 13589.8 41194.01 49532.11 9460.61 23655.94 14531.38 62249.03 10722.12 43160.32 36440.36 12473.87 13197.73 14077.2 37790.66 29197.08 20785.69 27001.01 43066.38 30639.32 7887.58 35875.73 12488.26 43369.93 43460.11 54789.11 17454.4 15967.2 37181.55 42390.16 8643.58 17821.29 24852.19 24251.87 14995.19 816.31 27850.96 20363.43 4496.74 31329.81 23056.45 18982.26 15786.19 38784.13 33132.09 12861.77 19560.83 40736.21 34774.3 34960.82 38847.06 25555.48 25744.8 26132.81 26233.17 26209.27 25630.61 26293.51 27224.23 24939.22 Val-Asn-Tyr-Val-Asn 9392.26 4777.07 4233.63 9738.13 35083.18 59023.91 36961.73 5838 8010.12 10490.9 5630.93 7155.58 10100.14 8226.07 9778.76 22675.1 7285.54 5896.43 3267.16 1497.76 14653.08 34952.24 5502.53 6335.5 13021.32 12025.73 8955.88 2343.72 14962.4 2542.2 4403 24893.69 7228.35 10527.24 7757.76 11428.05 12789.49 5763.01 1722.03 7312.8 1662.18 19660.26 6137.17 4189.72 15377.07 9310.81 10402.49 5409.37 19299.66 27407.32 13091.96 6038.68 9486.25 6852.57 15079.5 3593.41 5578.78 3432.89 12927.9 4607.35 5748.54 3406.04 10213.81 7579.19 1713.84 18405.47 5764.46 4688.56 3539.46 4862.31 498.33 13038.3 9751.31 5056.44 7777.3 10578.5 11037.64 10501.19 11404.51 10839.22 9857.8 10640.67 12216.59 10586.69 Asp-Pro-Asn 1862.38 1859.55 5210.85 3241.87 6734.83 28487.5 6012.1 2590.43 12528.78 8439.54 3541.25 2797.01 3432.26 661.03 2136.57 1225.03 3911.9 4054.27 3224.54 6426.29 6864.27 5363.84 1838.03 3200.62 3288.65 9099.17 3623.68 826.78 4875.47 4806.58 5325.81 4139.31 16276.47 11472.17 3706.06 1432.32 7587.98 12313.74 4696.41 2558.17 3338.96 3038.66 2578.44 4032.33 1861.84 1973.05 3564.65 3055.27 680.6 11104.08 4124.73 15088.61 6630.73 4158.17 4512.7 23459.92 1064.54 6842.97 9750.64 5817.51 4736.97 1471.54 5482.26 2667.92 3060.64 5946.67 13051.76 7293.71 2617.47 13727.96 24819.02 5926.1 3298.05 3116.69 2918.43 5716.11 5225.55 5529.79 5530.04 5180.38 4959.38 5578.39 5269.8 3728.96 6Testosterone Enanthate 9344.13 6402.1 9512.33 14294.79 19265.79 8383.11 12524.15 5739.82 12612.73 5200.27 5558.44 11513.29 18979.51 15599.87 7390.94 24513.53 9091.24 5893.8 22882.59 17548.5 5691.99 3598.5 3609.87 14406.42 9625.17 11212.37 16954.2 20028.7 23953.9 5636.36 15795.57 42924.08 6804.83 14753.07 12662.89 8207.98 1896.72 8782.93 3144.63 5779.96 11817.04 6079.64 10534.99 7922.26 14632.97 21954.97 14767.34 17285.04 11778.88 32932.95 5293.23 10309.22 5925.96 14140.21 1603.23 6280.67 3609.84 5244.84 4858.74 3116.16 6685.94 7849.54 7253.05 15436.66 8085.77 1058.04 866.71 10691.26 10824.47 11707.52 8487.99 14505.19 22013.97 12022.61 9975.68 12988.03 12967.78 13467.24 13615.15 13133.94 12827.65 12807.54 13522.75 13528.71 (9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid 3238.36 2169.32 2342.68 5990.64 33555.71 35969.66 8867 2391.33 2391.65 2100.15 2194.27 1441.01 7439.36 1620.1 3014.45 596.51 684.7 2373.36 1140.06 714.09 2778.96 11261.61 3905.67 2579.96 2212.68 2453.45 2528.1 2895.68 4998.08 1890.96 505.13 952.15 1197.37 5893.07 2640.13 2867.53 2787.99 5059.22 5227.13 2613.14 9852.73 2852.17 2423.58 2758.54 3317.62 8855.99 2101.21 2300.96 2013.19 1067.37 5138.97 3731.75 1271.55 5372.02 3148.07 2501.36 949.21 1112.11 1693.14 2726.49 2104.01 3431.42 2452.88 2655.22 1281.83 2760.05 4280.32 4404.97 2322.2 1583.31 2237.8 2900.83 3888.33 3784.61 5169.21 5159.51 4762.32 4980.61 4938.22 5181.66 4945.05 5571.44 5229.42 5163.84 Ser-Leu-Arg-Leu-Asp 9570.51 6925 7130.18 7944.07 1987.62 2506.83 6809.75 2729.7 2786.3 3105.48 3911.59 1493.58 1302.27 1552.11 4000.56 5220.63 6486.09 2019.85 6585.77 3099.29 1547.69 471.43 2293.38 2721.03 514.45 769.34 4949.64 2536.43 689.22 1359.66 5440.9 13696.94 677.57 9334.45 8099.66 8334.39 5545.96 1131.34 3902.89 4871.36 4556.35 7934.24 6448.65 6590.21 6437.86 6201.85 7144.91 6539.34 10077.74 8147.83 4849.6 8684.66 6249.38 9200.15 5857.88 3462.75 4292.07 4766.23 7089.16 4778.9 9637.23 5378.18 5217.89 8212.58 3959.13 5737.67 4431.66 4524.89 6478.26 5623.91 5423.45 6138.23 3425.4 9893.91 7903.99 6647.25 6626.59 6610.06 6627.16 6507.23 6317.04 6630.71 6457.17 6627.82 Thr-Asp-Asn-Asp 3960.03 8937.61 9935.51 6135.56 3509.62 6745.87 2473.23 7954.67 18683.86 5149.67 5069.69 4968.61 6578.53 7046.25 16942.59 9494.72 10144.69 2582.52 7322.51 7635.88 4407.68 6392.6 5599.94 3633.94 8044.27 24241.37 3757.27 4712.7 1890.26 4114.94 21008.01 9244.98 5083.84 4765.48 12110.07 9371.78 19677.01 17702.66 1053.61 8633.84 6316.84 19713.87 6195.75 2496.22 696.51 5913.78 4821.42 1217.74 9893.22 9745.21 9703.02 8013.56 6701.27 3128.66 6622.48 4254.63 14964.22 15231.83 7251.95 15398.99 6627.92 2437.27 4977.05 3105.99 10790.67 6038.6 13451.32 2784.77 10418.1 20684.2 10466.84 10636.08 12369.97 13592.72 3476.37 5550.19 7740.05 8717.35 8086.96 7414.66 7385.08 6230.51 8057.58 8054.75 Methyl diacetoxy-8-gingerdiol 8840.08 464.53 456.62 10801.76 12422.98 63489.3 35601.8 14149.36 9892.72 594.45 2553.31 2108.93 17958.54 557.16 13607.24 2055.11 1132.72 11422.45 3135.65 14752.87 10443.8 8796.65 3947.17 8431.6 966.74 2017.19 5258.8 4529.71 2021.44 5204.9 10693.2 8948.84 679.16 1973.46 2044.23 7861.01 11038.68 7708.87 4453.55 512.34 26087.72 24558.52 5169.58 733.96 2148.48 28117.08 9635.42 3947.03 6099.08 2645.12 9280.98 1004.54 1939.33 7945.35 16034.41 844.65 590.82 3946.98 6282.69 1015.99 4657.57 4694.81 5726.11 361.96 4361.19 15927.8 7291.76 4828.16 7389.2 10673.17 1737.79 5496.89 4325.84 5539.97 3653.38 7325.33 6961.49 5969.01 9228.03 7853.96 7266.01 7428.46 7786.35 7768.68 9,10-DiHOME-d4 3005.78 5528.58 76161.97 26831.07 5090.39 6355.74 18213.33 2616.62 3107.87 906.54 12340.45 5953.73 19118.63 6506.58 3202.38 14470.29 20870.05 4545.77 1205.02 6780.78 5107.89 10035.3 21376.36 13948.53 2946.52 3033.86 6615.48 5744.69 7031.73 1173.87 2967.48 1968.14 1353.14 2414.34 807.86 4375.27 1735.9 4591.16 7850.36 590.34 2498.86 3287.56 2082.53 8942.15 2347.7 8758.16 3792.81 3486.76 4679.95 4379.06 891.44 7185.08 2954.31 2835.51 1280.69 3723.65 55164.53 3137.92 499.53 1757.11 3572.62 9833.53 3673.13 654.91 6012.12 5477.03 3004.88 5564.2 3492 3707.73 6163.22 8024.71 3122.71 3417.33 8129.73 7211.82 6696.64 6081.4 6696.7 6117.34 6110.02 6705.56 6100.17 6295.82 Pro-Asn-His 365.34 50.45 249.06 7405.35 8122.64 10427.67 12422.32 246.13 38.09 76.97 29.45 302.94 3824.17 208.41 140.56 1773.3 368.99 106.82 126.34 39.34 145.47 60.09 55.48 109.52 151.75 82.87 112.33 49.1 172.04 342.79 112.93 261.16 50.56 1433.55 54.21 52.02 147.78 1234.73 451.66 207.68 5707.49 1008.42 64.81 86.6 40.95 5349.64 63.17 35.36 37.11 461.63 1079.45 107.71 362.71 1234 1610.37 95.42 634.16 34.92 151.88 1440.89 113.12 1330.1 369.25 209.91 75.31 1076.18 113.16 125.2 120.17 114.78 83.59 168.12 62.06 140.34 1058.96 3366.87 3381.91 3388.5 3366.73 3371.58 3366.45 3366.66 3366.47 3385.53 Ile-Ser-Gly-Ala-Ser 1265.44 650.75 636.3 1364.64 3252.34 1410.45 1480.84 1089.19 453.48 1683.71 3229.12 2260.84 9314.27 8150.77 1591.04 4886.67 944.54 695.53 2147.18 594.93 871.26 693.81 2892.29 719.25 1115.5 1461.19 755.8 1048.16 805.89 12520.76 584.12 1554.96 578.57 10067.21 4786.72 1766.53 1262.92 1010.42 5810.78 937.87 676.92 1202.91 3715.81 2606.15 1279.59 1095.6 984.29 2830.24 3367.1 3019.13 1282.4 850.87 5640.87 3038.98 1541.13 1175.63 3124.18 1278.64 821.32 552.89 1348.43 3327.79 573.42 2021.38 1093.51 1707.25 870.74 744.8 3539.22 531.37 1966.01 2672.71 4360.17 2479.22 3084.85 1277.6 1472.48 1296.32 1531.71 1585.79 1641.78 1405.43 1708.57 1574.92 Phe-Ile-Asp-Leu-Asn 3163.27 547.26 1315.67 624.94 6132.19 2291.32 3427.18 1856.98 5487.15 2324.46 1582.37 7209.05 822.74 471.17 1661.89 600.2 204.13 309.93 691.13 573.17 420.24 590.55 596.94 295.59 874 301.11 1866.21 381.61 845.99 246.91 732.45 401.46 695.86 4564.82 3699.13 1092.02 443.05 441.3 674.19 393.02 2279.57 4865.17 1473.46 659.24 1698.73 2903.71 614.52 1118.4 1822.18 1245.15 742.22 2331.2 1532.85 2978.53 11675.65 562.77 1052.73 313.43 3786.79 581.95 256.62 1331.69 8039.7 306.9 342.38 2659.54 5969.88 2272.09 389.79 1986.46 490.89 786.31 2377.95 1170.76 291.51 3520.25 3192.1 3721.98 3591.25 3570.44 3891.44 2955.89 3506.39 3395.23 Asp-Glu-Ile-Asp 2080.04 10318.87 5455.89 7537.17 669.45 8025.04 4836.55 6651.78 6570.44 5847.34 4119.38 7327.74 7772.65 4460.36 8362.85 7686.96 5809.67 10911.41 5402.67 17522.69 8912.08 3353.72 4272.05 7644.32 11464.91 6609.98 1407.86 6215.58 11005.37 1894.56 12273.76 14460.55 3217.73 4786.26 7800.66 12105.26 9365.72 3491.64 567.07 6049.44 15035.12 8194.09 8329.19 5147.55 10621.98 1907.63 12577.77 11588.03 2604.19 14832.91 7118.97 3603.47 4499.27 7629.78 9290.09 10022.62 6891.13 9542.54 4541.43 5220.22 3549.95 2397.12 8449.19 5251.29 7299.96 9882.08 12625.05 8577.4 7263.21 8275.74 3455.38 4539.27 3886.32 5532.11 10009 8078.37 8102.85 8314.83 8224.74 8086.24 8331.3 8499.71 8071.66 7219.33 Ile-Val-Leu-Glu 30004.15 9259.97 4122.02 14702.73 142883.74 18779.95 9382.83 47183.76 27321.01 23504.4 11201.39 17118.02 10624.36 16257.59 16513.61 31016.34 6845.24 40319.76 34203.02 34318.34 47542.39 16167.44 9328.84 6853.15 48578.82 34499.24 26570.32 14729.23 53746.11 20872.92 23439.43 2500.82 18738.72 11124.64 10054.32 34494.23 28476.59 13422.47 2295.52 4641.66 31070.04 54143.16 9166.32 12360.13 48006.67 2776.68 15478.32 13369.03 55273.47 55944.91 38942.92 26008.03 13512.38 8420.22 49783.7 10164.03 3039.78 2001.03 67451.48 20465.93 8718.91 10376.27 27537.96 12228.82 2617.96 54641.77 13380.1 14568.43 13114.19 23653.58 17507.31 27084.78 17750 3502.58 8066.61 4690.64 11191.9 4729.29 4377.66 1876.52 4577.58 4564.9 2830.0 4590.06 4404.38 5807.9 4528.28 4292.73 4440.14 4829.13 5353.66 4282.47 4347.76 4392.15 4451.34 4343.18 4325.71 4378.68 4007.82 4516.94 27347.91 27143.73 27005.45 27049.02 28030.14 27339.57 27248.18 26123.95 27004.26 Tyr-Gln-Asn-Glu 8143.16 15327.27 10527.18 2869.25 6943.45 12124.05 9409.5 980.97 12469.87 12204.88 8701.92 8936.42 7716.94 11798.83 10495.24 10587.92 12970.26 730.28 13675.24 640.15 6595.7 16808.32 6103.8 3336.51 6305.37 11273.85 9879.2 6873.57 9818.02 9275.8 9259.17 7984.9 10082.89 4299.55 9298.62 9580.97 7426.98 18719.42 13217.01 10228.35 2211.7 9805.12 18767.62 11278.28 11139.33 16490.57 12685.61 13316.08 6257.96 8823.16 18315.19 12838.08 12251.02 11856.27 7564.67 9846.54 13474.5 12142.8 8648.34 11349.26 8242.7 13020.04 10187.39 13552.93 9623.3 5625.49 9121.94 11088.92 13349.96 11317.9 15466.56 7804.68 11200.87 11426.07 10553.62 6192.65 6047.67 6748.05 6172.86 6467.29 6007.34 7409.97 6134.03 5561.01 6464.75 5709.25 6900.33 6274.25 6248.72 7022.51 7280.65 7215.66 6948.83 6435.13 6569.23 7141.04 7063.36 7181.63 7128.01 6918.64 9660.05 10933.64 9836.31 10620.25 10233.72 10074.76 7102.34 10168.5 9800.13 (1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane 14996.02 24632.96 49121.4 20983.94 61375.7 78477.47 56517.07 34692.41 26426.64 19859.37 14413.75 22336.84 368.99 1538.54 59327.4 81736.49 97504.02 41328.44 30751.69 36149.65 51730.24 18881.65 1441.68 15985.71 23540.67 37201.43 21466.38 11848.05 52658.85 30532.47 11417.14 22688.12 30912.22 15540.4 19601.13 19585.31 10356.51 35541.17 14106.81 48405.38 37826.28 49661.84 15279.21 10323.61 15258.18 47615.27 24240.28 27827.79 12057.97 32084.26 9343.22 19956.18 20169.2 14014.97 37826.86 48211.09 128088.83 29485.11 65980.28 66351.34 27707.64 45253.16 14725.78 27742.2 37728.14 26130.67 25698.4 40006.26 23748.86 23618.41 39601.55 15683 12498.02 47072.96 23613.35 38920.59 38162.56 36354.27 36490.77 35508.15 35423.32 37384.51 35442.6 38130.64 Asp-His-Leu-Asp 19531.01 14750.09 24947.49 36404.86 9714.42 8864.77 31439.1 2863.89 3785.35 3433.55 11449.29 9937.7 17519.42 13377.46 18343.4 557.25 10611.9 22662.78 8202.47 755.37 9960.78 2785.7 13057.34 11251.23 9008.71 661.14 7360.35 1872.08 9580.36 806.56 14215.19 7426.45 5481.29 6546.59 2706.38 6984.19 16171.19 4655.77 21109.11 20268.75 1582.75 1129 13499.95 4437.28 6579.52 27686.67 18193.64 27371.72 1930.51 3728 3854.62 21482.62 10738.17 13469.46 17057.4 19932.88 23973.43 15787.25 10706.02 6818.99 11483.49 57406.62 16913.67 23860.31 3266.53 22379.19 889.08 8800.08 13132.16 16562.89 7811.72 7198.58 23751.82 25314.71 43846.88 11645.69 11916.11 11428.09 10539.65 11417.2 11483.04 11895.89 11895.91 11589.68 TyrMe-Gly-OH 743.99 519.35 473.49 713.63 507.68 1023.43 1373.7 600.02 712.91 415.09 912.22 599.56 361.42 736.67 419.84 840.3 441.83 352.22 720.47 342.07 504.57 690.59 331.56 586.2 778.49 761.14 812.34 495.36 576.21 557.2 475.79 535.87 362.09 468.16 1072.48 719.43 1274.51 541.12 1227.55 580.47 788.99 895.59 622.15 712.05 387.36 719.36 843.81 461.74 733.28 892.97 524.66 470.87 594.35 614.99 553.33 678.13 820.28 906.13 670.52 487.31 785.59 663.13 1247.88 778.05 671.09 611.14 749.47 576.57 813.48 964.77 753.76 490.92 732.53 969.44 714 1185.14 986.15 1110.04 1175.11 1176.78 1203.25 1163.33 1118.52 1187.36 (E)-1,2-bis(6-methoxyquinolin-4-yl)ethene 2684.94 3470.26 773.85 2004.25 1441.35 3083.8 1272.98 2443.72 1051.27 3265.78 3613.29 1895.7 665.7 3101.83 1794.75 1522.59 665.98 3007.83 663.78 784.04 2951.91 2203.02 2346.77 1578.26 2318.38 3867.2 3253.17 730.92 1471.08 1622.69 2611.5 929 1297.85 3416.92 2583.13 2233.82 3233.46 4034.86 3959.8 3294.39 889.74 1298.86 3278.61 3096.35 2452.69 1968.36 2044.76 2558.2 750.34 2058.92 1860.56 3132.92 3579.13 2832.26 2272.12 2898.18 3352.51 4462.35 3221.7 2565.11 3033.71 3236.81 2315.05 3121.4 4042.45 2257 3352.78 2948.81 2981.07 1933.81 3189.47 2928.44 1567.91 2481.87 2315.76 2449.1 2211.52 2400.04 2434.27 2379.37 2500.1 2475.06 2457.54 2415.57 Val-Tyr-Lys-Gly-Gly 5020.85 457.22 3694.42 1366.96 567.56 1749.65 2969.46 1089.66 1297.19 8077.73 1612.27 448.68 13626.17 2060.35 3365.39 1284.93 838.45 1055.52 737.44 1005.76 3248.58 592.12 471.83 2552.92 946.11 7717.05 5766.05 457.28 13712.71 3845.22 4340.52 2992.2 10592.3 3878.07 2438.27 971.33 4092.16 3489.03 4397.86 3299.27 8633.7 5370.45 2265.54 2210.07 5698.15 2013.48 1749.55 943.66 2335.7 10678.93 3231.2 4893.08 3935.05 3216.43 2947.18 3958.6 1388.61 887.2 3117.03 3131.2 3285.86 3234.31 1302.36 1880.15 2874.64 3107.97 7448.2 4526.87 3350.25 3485.97 547.94 5298.96 5440.15 2776.83 3852.07 4295.61 4293.89 4299.81 4242.39 4181.28 3543.04 4249.59 4248.84 3986.19 Androsterone Enanthate 18957.85 12427.37 43440.76 34942.36 37703.76 34659.5 32044.64 60471.02 62614.79 42522.08 20672.63 55532.22 42921.78 40890.69 56207.56 42707.92 33536.17 44314.39 50309.15 61790.87 84084.85 8060.36 33952.82 41375.07 57445.72 61219.66 45139.34 45312.73 57539.52 26032.13 49785.47 43648.05 58420.13 46568.05 39811.99 83140.89 7125.52 46772.84 35039.88 31424.9 10071.56 45708.46 41781.8 32652.31 77762.57 27433.06 81910.21 79789.89 25724.09 37275.51 12375.51 34660.24 34148.91 32388.67 49394.89 69555.38 33663.71 28383.56 55418.2 32562.3 30585.54 31646.05 48638.83 36739.14 39804.95 47153.59 54212.58 44390.98 40621.52 70936.2 61125.4 35705.14 19516.2 25585.69 29133.49 25598.54 25257.28 25721.49 26061.77 27275.48 25271.77 25440.57 20613.59 26078.36 Tumonoic acid E 1511.89 794.22 800.23 30242.71 96591.67 35130.07 85399.65 1700.38 573.13 518.17 402.93 1466.46 15320.93 1063.66 530.33 12633.79 2937.7 748.12 766.4 662.85 862.24 519.25 336.96 1427.14 1801.37 934.07 820.47 170.42 713.52 266.55 695.44 2934.88 212.23 2003.88 1119 1965.82 1276.17 839.31 490.07 225.11 38580.77 4258.16 1049.75 778.16 892.7 13070.25 1676.97 635.52 3217.18 2074.51 2359.06 618.43 1485.57 5705.65 12889.79 1296.26 4325.26 1025.37 2032.42 7347.68 1486.15 3594.3 2961.22 1620.04 214.96 4374.95 669.68 635.77 1107.75 796.49 516.16 1265.3 714.15 2747.6 4634.87 12308.34 12571.18 12385.75 12385.37 12384.52 12308.35 12378.93 12352.15 12308.2 Lys-Asn-Leu-Tyr-Thr 404.46 148.64 138.98 1709.99 679.9 2710.01 4395.62 607.28 109.44 315.36 503.86 791.26 1124.39 368.02 315.06 297.87 375.52 591.2 469.99 582.01 277.02 345.98 249.06 184.91 192.7 584.75 86.9 191.13 198.29 1086.47 737.89 1415.25 330.29 355.54 275.49 1300.74 515.17 740.84 484.83 136.28 1357.01 460 488.32 221.49 919.32 1630.3 682.16 264.96 254.79 323.65 300.72 161.4 600.55 610.64 390.08 351.74 376.24 330.73 551.29 1377.2 540.31 1140.94 428.35 255.96 112.17 215.7 500.81 352.97 264.1 526.99 267.9 729.97 169.02 273.8 1100.72 2797.4 2795.67 2784.9 2782.56 2847.81 2811.45 2937.62 2847.36 2438.03 TyrMe-Met-OH 10589.62 3697.51 890.97 871.17 6789.59 2572.51 2064.53 15067.83 12763.17 3462.72 655.46 3651.79 391.83 408.43 413.01 1663.84 2109.48 4612.65 3611.01 14269.8 7596.68 2281.24 522.34 442.68 11251.2 573.61 2620.77 4808.73 8843.63 2890.51 11615.39 5166.47 2803.03 422.51 1737.35 9256.14 7818.59 2074.95 665.16 1160.18 8074.38 10293.23 561.09 1748.92 7343.02 587.25 8766.35 4311.93 6822.82 5753.25 6346.32 2218.32 1572.05 2149.18 5498.91 713.52 881.79 973.21 2138.68 1256.19 450.34 363.74 2224.49 1002.55 1422.77 4621.53 3061.72 1259.06 2907.51 9724.84 8592.31 2951.28 5137.02 1590.37 2395.73 4343.66 4067.05 2666.1 4084.17 4243.38 4238.08 4072.52 4256.57 4045.91 Ala-Val-Val-Pro-Leu 2209.16 1947.78 1100 709.49 1686.69 411.34 1168.16 2228.55 2467.77 2824.12 1678.11 642.91 832.57 840.76 10482.88 1170.71 1065.99 15834.96 2195.64 724.14 771.19 1892.06 1670.77 958.6 2002.23 838.13 2017.53 2328.79 2098.46 1392.2 944.6 1897.05 1212.37 860.9 938.49 2024.82 2103.49 1600.85 580.31 3979.89 2250.24 2300.21 1950.93 1726.95 2184.68 817.11 3233.79 2097.92 5556.56 3419.98 2093.18 1791.45 1178.08 1508.34 1447.84 5290.67 2163.92 8453.65 6443.11 1433.94 1852.55 1779.22 4583.24 5291.41 6714.86 756.17 2129.53 1638.78 397.15 4719.64 5427.23 2005.38 1972.32 5266.38 559 1892.91 2421.66 2540.77 2394.7 2510.99 2528.33 2534.45 2526.75 2352.66 Gal1-3[Fuc1-4]GlcNAcSp 1281.84 958.41 4235.26 2840.03 413.85 630.08 562.58 13714.42 3409.23 2162.1 863.85 1729.93 2889.95 476.79 3986.85 1991.59 315.15 15388.09 1954.09 2931.2 1884.67 1596.84 568.94 10750.85 18188.79 1526.91 5005.29 6005.85 1028.35 6486.74 17892.8 793.7 2934.79 275.24 865.5 10794.51 6440.45 517.8 1381.29 9180.39 11874 3512.76 10804.56 1546.15 27466.04 7649.88 36203.34 5417.06 2885.43 22087.46 1758.19 1697.15 1740.85 1314.56 2837.15 2148.68 1483.98 1278.87 6315.9 1768.63 3062.73 974.42 3517.51 6329.02 3811.99 2568.73 3274.77 9848.64 9186.22 6202.61 2815.42 7091.73 3809.54 3064.39 2868.91 5839.25 5674.53 5080.05 5830.46 5563.33 5543.37 5910.2 5708.36 5532.31 Leu-Val-Ala-Glu 4230.29 5292.83 2256.18 4279.64 32965.03 6699.13 1627.63 16072.83 14103.67 9788.36 5841.26 5324.12 3106.08 6521.01 1913.28 7950.73 4202.47 36029.93 1595.09 4021.11 3254.95 6054.25 5394.98 2811.15 19287.25 18056.67 2652.99 2758.48 1103.08 4365.84 8129.87 61225.11 17041.13 1021.04 2513.05 25269.38 12924.71 3029.56 1836.43 1001.72 1691.34 22313.1 2501.24 4779.19 14891.28 4847.33 5534.83 8456.5 19181.31 12832.99 11509.03 5186.54 935.71 737.21 17984.28 1547.1 612.2 907.02 29433.38 1211.51 2144.51 3891.79 7792.72 6234.02 1600.62 11676.48 3225.1 3390.8 2744.79 9559.28 8659.13 8108.73 3693.51 3709.9 1684 6025.14 8886.15 9272.37 7843.48 7682.32 8390.98 8605.22 8614.87 7748.42 Ile-Val-Glu-Lys-Tyr 3264.25 1458.38 988.33 441.57 6893.99 3969.37 985.53 11489.94 3615.47 1659.7 5210.59 9319.19 3482.68 3426.63 458.55 3888.91 2491.12 1652.17 18851.91 14748.32 2179.43 5901.87 1436.33 8236.27 8222.91 8039.37 1079.8 4486.32 12587.36 3689.66 7598.93 27829.42 319.74 538.71 2186.49 7844.73 8373.55 1010.55 1007.93 2469.55 4216.29 12976.58 4032.57 1771.93 12837.36 1889.98 11175.52 6116.3 7279.39 7365.17 1821.38 9208.91 2294.7 1040.71 5121.58 7840 631.56 573.13 7962.91 1356.49 4417.95 979.7 3584.7 7649.01 2281.73 9157.27 6830.9 4963.14 1245.38 8537.7 6715.7 7451.23 6493.02 432.58 809.22 6737.55 6953.52 7036.95 6757.28 7250.54 4492.42 7168.62 6867.87 6810.52 Leu-Ile-His-Arg 3232.4 3331.6 2125.07 1574.05 2117.05 4026.96 5323.41 862.39 634.52 2699.28 544.16 2030.61 30709.68 1065.71 3794.98 1061.62 1912.43 2212.98 2272.38 3211.08 2114.85 14358.02 9475.69 1266.93 851.76 2933.44 876.11 1775.41 1150.7 1647.98 1315.66 1764.06 426.27 2244.95 1386.16 1620.89 274.6 411.59 4305.02 411.13 3485.03 3548.08 979.98 1635.73 2974.69 2358.44 997.6 601.17 2329.77 743.31 1373.43 1243.65 779.49 635.98 386.59 1314.26 24445.82 1258.58 405 2834.14 3376.61 17214.44 758.98 918.7 567.01 1360.21 1856.82 1404.84 1256.1 647.79 784.38 2699.48 843.33 948.83 2586.1 3514.04 3552.46 3138.22 3358.74 4097.03 3239.26 3288.11 3387.86 3232.46 Asp-HoPhe-OH 27793.66 16521.38 776.87 3440.4 22534.98 13988.79 2643.06 35362 24443.61 25561.82 16607.45 24256.55 13062.85 17749.7 24226.98 32074.45 800.53 25778.79 24972.97 35852.26 33419.38 16697.89 12798.89 19374.03 35184.83 27645.81 19784.4 14474.93 33770.61 33025.09 30961.64 62427.98 26934.8 22385.26 19841.31 32407.2 30026.58 18461.8 15834.34 11733.34 24381.92 34844.15 19664.82 15280.85 33365.5 13127.19 24182.39 19322.4 40712.36 35836.59 40410.56 22477.04 17090.01 11588.86 27087.83 16711.28 10307.55 10190.94 31098.6 20836.08 14334.59 14434.79 22772.09 23123.84 19265.43 29663.2 24270.46 20206.18 19057.56 29521.47 26066.38 28455.43 19721.59 15973.35 15674.08 26631.8 24728.43 25172.37 24712.77 25168.56 25154.53 24712.77 25011.76 24973.82 Arg-Leu-Arg-Glu-Lys 777.21 876.17 1135.26 352.73 747.71 788.71 6846.77 1507.6 1347.66 644.36 834.26 463.1 451.6 495.91 1244.67 876.83 322.93 1533.5 5540.98 1367.08 914.64 1218.27 455 713.56 784.08 407.2 746.17 460.53 1153.6 918.05 321.95 1422.53 1337.27 708.81 316.98 2521.67 2219.85 728.35 435.66 805.76 1005.24 539.27 2095.79 384.87 1522.84 325.23 1741.13 1540.09 667.56 727.38 811.45 943.73 1038.43 722.42 1311.33 1255.66 667.62 384.81 2069.66 846.56 466.21 326.23 1370.44 1856.31 1645.32 1213.99 690.47 542.7 932.15 2600.43 381.79 656.85 1890.03 928.66 369.27 1332.9 1316.89 1385.32 1001.43 1416.6 1386.88 1267.15 1348.07 1328.49 PtdIns-(3,4)-P2(1,2-dihexanoyl) 2288.15 1506.32 1000.73 1639.81 655.84 594.61 2212.87 4227.52 1392.76 1272.21 3021.61 1639.29 848.2 2352.37 1285.01 1831.87 1159.26 3177.53 1954.44 2791.87 2244.74 1355.91 990.4 808.51 910.74 2755.38 2035.55 1503.52 1129.3 1290.52 2623.64 2221.53 512.35 315.27 2733.36 1408.94 386.86 728.62 368.82 309.71 2437.86 1754.77 390.94 325.71 2331.85 799.36 2312.14 2103.33 50789.82 8295.02 6960.18 5757.31 5854.3 4440.45 5382.88 3385.6 3437.29 3369.74 2668.5 3129.64 2709.44 1907.69 1311.26 3173.66 2144.1 2230.35 2069.91 2415.61 1996 1356.64 2054.06 1578.05 27517.07 64983.22 17347.3 3733.64 3594.95 3499.59 3642.97 3648.69 3354.56 3669.39 3333.09 2921.92 Ser-Pro-Glu-Gly-Thr 1236.54 4985.47 33086.91 42710.8 1585.7 859.42 49139.76 5113.91 5837.91 3664.84 11255.64 8352.94 12923.25 18132 2007.91 26577.44 10058.66 5617.33 15432.91 4347.13 8404.58 39425.61 25900.99 26322.56 7454.77 2167.72 1052.68 11701.64 4104.84 11031.51 2565.1 1732.42 3308.42 28367.32 22517.1 728.31 2803.21 11225.61 20923.77 10392.84 7689.25 11671.23 12421.27 15818.87 4060.65 20464.08 2044.43 12009.58 15790.83 27031.95 1669.59 13684.54 11543.19 33288.35 6488.87 2468.25 28719.1 21866.75 2423.88 7181.69 21512.89 21665.55 5759.06 22058.43 22892.79 8474.51 6109.06 17298.8 12453.98 4683.89 4543.07 29548.11 23463.51 35556.07 27853.37 14910.21 14791.7 14659.49 15454.24 16145.01 15395.89 15348.31 14638.86 15406.33 Leu-Ile-Glu-Glu 3834 779.2 658.23 379.98 11155.45 5416.35 480.78 4278.74 13678.12 1972.44 619.38 720.58 1406.12 1210 768.43 1772.01 1149.54 557.56 336.05 1465.2 2543.96 8325.23 1005.58 625.99 6526.33 10185.7 475.23 1327.56 1980.29 795.17 1472.63 2659.41 3744.41 2432.05 912.26 5173.28 12028.79 2096.21 1083.05 1149.74 2474.18 7543.83 556.15 422.46 1328.68 1122.09 4584.92 991.79 462.38 492.62 3814.66 4812.46 1240.02 310.76 2660.01 3178.64 782.37 599.2 4629.44 2489.21 400.83 1460.8 2797.47 944.2 732.94 5008.73 7703.76 1723.26 868.08 4540.1 3848.46 568.38 792.63 1100.59 1377.36 2832.28 2656.27 2935.12 2510.77 2896.78 2602.12 2832.45 2870.48 2375.49 17-phenyl trinor Prostaglandin F2 serinol amide 28370.54 48522.84 48895.09 48042.83 38113.29 55064.21 2151.69 3213.83 693.06 29381.55 31427.29 32047.54 61932.32 64829.39 32683.58 44056.89 51656.62 49816.72 2388.92 41698.87 1392.68 31868.58 30592.32 54396.66 28597.03 33206.26 23974.91 27577.52 32790.37 33856.94 59021.13 1612.06 31630.59 50094.17 57572.61 28339.39 33392.44 39039.86 30065.19 40599.18 34365.98 19590.45 47725.15 50092.82 26597.78 52192.83 51694.95 61161.56 9133.05 96237.38 18335.38 58461.98 46060.88 76361.8 16222.6 65467.87 71896.59 69774.55 13081.36 40001.48 38305.93 9700.72 20178.56 46637.08 36262.96 26669.41 64153.83 32867.71 46109.96 26429.94 17687.31 16128.57 41719.5 61074.83 63779.95 41609.74 40712.3 39853.73 39220.94 39228.99 39491.08 40852.78 40990.83 39995.41 (3S,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol 41456.68 77992.46 10050.57 11839.66 41520.72 48319.69 5154.4 52978.52 40132.28 32048.85 981.01 16656.08 26870.01 16364.03 59985.43 18543.77 607.98 24107.13 19068.94 597.24 49686.79 34068.76 8862.19 1461.9 38525.37 39964.27 10063.59 486.26 26272.59 7075.13 15570.02 16279.41 21434.27 15640.42 5008.7 34568.37 49082.76 25252.98 7377.72 14209.65 18115.36 52119.05 5219.02 9001.23 10320.22 4823.78 24243.84 27277.73 14213.27 17987.79 28322.23 48908.98 9308.77 6007.05 57954.25 67125.41 5994.39 11005.03 35377.49 30597.73 9620.69 9238.68 47180.77 12111.84 8111.48 66200.49 51265.18 11167.01 15684.28 58301.45 35563.69 26300.77 2582.22 17950.7 13238.14 25488.43 26073.08 25470.93 25539.95 25545.14 25469.29 25253.29 25609.3 25610.7 9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid 2115.18 4254.47 3117.7 9611.06 67808.63 41915.53 20622.58 3328.56 1944.01 1948.81 1354.01 2398.23 9168.32 2001.54 1310.56 4045.34 1049.32 1370.44 5065.13 1194.15 2213.42 1411.91 2217.94 2351.63 2335.65 2974.69 2186.28 2493.61 1020.14 2241.47 939.52 2239.27 2804.67 2303.96 2648.77 2351.47 2683.23 2936.69 748.92 3254.39 11504.38 2991.83 2923.24 4210.03 3231.84 15957.5 3430.23 2350.46 1284.33 5547.17 3400.77 2327.84 1099.13 4923.4 5215.34 1756.53 2588.79 3295.46 2604.98 4243.93 3627.08 453.7 2962.86 2396.45 1368.48 2967.02 2539.4 1699.2 3309.03 2958.68 3561.07 2149.75 4584.16 5067.81 3301.82 6620.18 5814.93 6988.58 7024.02 6644.02 6639.64 6994.16 8193.29 6981.64 Ile-Thr-Gln-Lys 831.74 899.24 411.26 538.03 2032.25 1196.99 461.65 447.79 658.68 402.22 956.95 330.29 568.06 488.76 2478.73 1336.07 5131.85 2064.33 736.09 1018.05 781.13 1002.28 754.31 760.84 1491.41 1581.41 1119.5 796.17 391.08 563.87 1761.93 367.98 2356.23 365.56 1040.85 839.08 650.89 1180.66 898.53 992.52 3288.91 3210.66 1056.97 743.87 1407.96 796.91 1609.34 588 561.63 502.77 1076.55 1190.61 1006.38 355.4 1390.96 2020.14 387.23 913.24 2366.78 1024.35 1021.13 580.29 541.9 369.02 506.99 727.65 2225.33 507.1 2794.09 819.41 605.16 1300.49 535.37 1963.02 355.02 1520.69 1579.85 1516.63 1516.76 1482.38 1518.39 1465.17 1460.99 1523.38 4-DHEA enanthate 10912.48 6405.51 6298.7 14988.95 3654.03 10565.15 16472.2 10434.07 5897.23 14463.48 11226.96 7376.59 7293.29 8205.73 6648.92 26530.9 3134.06 6390.61 6648.36 4544.77 7015.79 6751.9 5706.57 7188.9 6573.45 5758.53 7014.21 7526.45 1706.16 9598.2 8042.74 10719.55 624.84 8553.43 17766.89 5717.99 5744.09 6554.6 8501.66 6852.23 11354.4 30953.47 7428.97 6717.15 7448.84 71837.4 20219.25 5457.04 3437.59 10195.04 3760.86 4620.35 7423.52 8139.09 12140.69 4931.87 6149.56 8114.36 4471.94 5047.04 12247.54 8701.78 7038.95 7947.19 7535.14 10534.9 6191.79 7048.99 9606.72 6381.88 5307.31 6346.5 7140.18 12623.88 8811.62 9610.8 9507.02 9662.25 9221.73 9654.78 9594.86 9714.72 10064.34 9515.65 Gal1-3Gal1-3GlcNAcSp 2331.09 741.1 13454.61 1754.26 2704.39 1515.75 11194.01 2929.28 4588.99 13693.03 11231.79 685.58 637.45 4380.92 2150.71 932.08 40199.12 2011.29 516.26 778 5235.11 7433.65 339.49 521.69 339.45 935.13 1063.33 481.39 1729.14 1065.39 1921.36 2539.42 19894.46 10363.84 8452.58 4754.82 7962.57 17562.97 3628.38 6358.57 14072.17 7929.71 12178.72 11008.59 9150.66 9139.36 12799.33 5535.78 5699.72 8898.46 24718.64 9438.94 9265.2 5416.86 5483.32 12730.55 39798.38 2678.42 37637.1 3904.01 7649.09 2929.01 10577 3968.66 10463.37 10529.36 20666.97 7693.54 7795.06 1020.25 6165.87 12002.81 4570.12 9119.12 6174.38 11796.95 11744.64 12286.14 12006.48 10261.47 12198.89 12006.5 11752.66 11945.69 5-Cholestane-3-ol 1208.63 2003.53 792.19 487.34 641.43 973.3 1285 1767.54 1225.69 1719.16 461.11 653.11 1378.12 1382.24 3788.17 501.7 1632.51 696.28 6531.15 1113.41 1336.35 1635.52 720.86 1788.77 2195.99 1230.7 591.78 1348.48 843.3 1746.98 4488.46 2976.56 1274.58 4551 3617.67 2815.66 2402.83 2676.88 9736.85 552.29 4668.37 4426.47 1524.63 3468.69 10290.56 3882.63 5707.45 6048.62 2732 1757.05 1963.68 5782.48 2603.82 3880.83 2700.81 4799.56 4754.23 10250.8 1572.75 5519.19 685.21 610.63 2002.3 1254.42 2675.79 3604.69 1420.6 1578.96 8246.35 1910.65 2478.41 875.49 1286.89 7526.09 3501.6 1853.62 2185.2 2212.38 2020.46 2077.58 2190.37 2129.26 2197.85 2200.92 Methyl diacetoxy-10-gingerdiol 12057.14 1006.01 586.83 460.83 961.21 892.06 775.2 9579.69 5125.67 4929.71 312.12 6262.17 1102.9 2057.77 610.54 688.36 1689.31 1454.24 5555.55 11894.41 12227.05 689.36 524.21 436.47 13968.9 7795.2 9097.26 533.4 13161.66 4707.89 13374.73 3877.89 292.48 619.64 1577.21 10877.07 7948.97 669.19 391.3 2421.82 14406.54 16013.66 582.18 740.4 13443.34 3803.65 10444.76 241.3 407.96 1912.75 11847.08 4630.36 961.98 301.27 6116.84 1965.95 1001.19 805.24 7874.44 413.36 333.26 682.18 867.51 1345.08 2080.81 8789.56 3903.7 1464.8 2984.01 7495.99 6025.03 950.3 3612.79 665.46 1248.89 5385.61 5347.29 5473 5375.13 5345.78 5386.15 5339.5 5345.4 5386.75 3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid 9849.59 7966.21 4019 4328.06 25546.84 8937.67 21876.93 13920.65 11413.25 9268.33 605.97 10704.89 5898.64 5923.87 14112.08 11112.91 8916.11 8174.6 19004.85 31382.95 15952.91 15154.64 11658.81 9382.05 12631.16 5835.04 8386.79 6273.07 28369.75 4865.5 4477.1 12561.91 20094.92 5965.78 7257.57 18987.87 8492.23 6991.62 7648.26 6375.19 9394.92 11351.23 5573.09 5130.1 6001.93 6140.38 11093.03 12405.34 11969.32 14113.53 6931.79 5620.85 4825.07 7056.05 7754.04 10253.42 2031.07 2589.52 9029.7 4981.21 6395.19 6698.95 7383.37 5968.34 2829.58 12753.36 5801.74 9844.16 6543.87 8018.56 2754.69 8066.83 2264.95 7683.78 6435.42 9527.19 9608.95 8961.41 9611.03 9349.54 9616.29 9449.48 9452.68 9588.7 Leucylvaline 1249.91 1414.7 443.53 1379.4 2445.59 417.71 1154.26 4634.31 5632.43 1971.41 632.41 852.77 1527.65 797.07 8234.75 1561.84 321.78 1888.69 908.23 7242.97 1418.79 765.34 721.67 312.49 6955.54 8516.66 666.36 483.54 2465.32 455.58 949.88 777.71 1876.45 1415.72 395.79 1234.55 895.84 1087.87 507.51 2234.93 1032.82 909.33 3391.89 516.65 1265.66 1450.08 1831.44 352.03 931.2 1340.16 604.96 1301.94 372.48 1745.41 3060.64 1237.2 1247.85 1321.65 1840.12 334.74 776.64 1211.53 3052.94 1664.17 2679.12 2799.63 1664.48 1023.95 653.23 6547.26 7380.12 661.06 1637.34 3935.47 1031.65 2225.73 2066.46 2212.92 1700.08 2028.13 2148.78 2212.3 2239.83 2441.53 15(R),19(R)-hydroxy PGF2 2089.3 786.04 558.1 542.95 18780.51 23343.9 29639.6 1675.63 209.95 2238.2 992.07 1247.6 388.61 808.45 1077.97 2018.38 1183.74 662.72 2280.79 802.58 1752.16 254.84 1055.14 1572.84 3317.3 1678.34 2435.72 1290.41 1728.14 969.81 825.46 1658.53 480.46 980.08 723.65 2635.71 550.63 1374.26 109.82 246.8 23070 1346.15 135.86 70.32 2578.15 3945.98 126.53 391.46 503.27 956.71 379.36 153.48 212.93 355.61 348.02 123.26 329.49 102.87 312.93 3654.91 246.32 1105.15 663.52 118 167.03 263.24 740.58 551.6 180.59 462.45 245.38 281.24 567.05 908.85 1885.58 7807.97 7828.9 7797.4 7829.42 7796.32 7802.27 7829.14 7875.31 7732.08 Pro-Phe-Ala-Thr-Glu 41946.46 58987.13 2295.84 30122.82 43918.99 79152.66 4133.18 30744.16 34730.59 17319.12 1669.58 27779.51 29496.36 52912.16 31465.38 3354.5 2412.62 51312.92 33494.27 20319.39 30199.85 23074.7 18682.07 29437.32 23565.65 42984.34 18631.52 24456.57 31960.35 507.79 65275.43 54938.43 1438.53 26018.21 29434.9 18955.61 28428.13 36830.11 12383.36 30874.13 49998.22 80022.22 27207.89 34354.18 31117.33 38584.72 24653.32 34770.74 19591.1 97447.84 57969.33 86913.81 21355.03 42065.95 42906.78 77619.02 23012.2 24315.31 25750.18 37139.94 14351.7 15699.75 50429.15 12100.06 15574.91 59381.61 73937.75 18342.15 35041.94 28163.24 27104.05 22165.92 14966.68 35387.82 24044.08 41690 46952.63 41527.01 40061.7 41856.37 39369.98 39605.49 39936.61 39563.61 Ser-Leu-Val-Ser-Asp 4178.26 1176.15 724.2 1748.76 3957.64 7256.79 2201.43 17563.88 6982.46 1996.01 7093.03 1342.88 4154.08 1657.5 1762.97 1138.26 1027.76 18827.01 24917.93 20186.49 13172.66 902 1174.69 4029.56 2576.61 805.41 1625.46 4305.63 21689.36 1755.74 3128.83 30078.88 11377.94 4967.36 6707.8 9455.37 15247.59 5226.05 1031.83 2778.29 13899.48 19201.46 8042.71 3745.9 15765.26 4028.76 15754.11 11362.37 18997.43 20837.39 14083.75 7801.76 7095.95 3134.62 7814.92 9956.32 2975.14 2247.6 24672.16 4463.44 4190.54 5784.92 13302.45 3911.63 6093.57 14291.31 8170.79 4614.14 3831.59 11911.13 7975.49 10117.21 8735.85 5358.76 2110.86 10214.32 10209.45 10225.24 9149.19 10678.55 9760.38 8196.75 10133.86 9722.47 HoPhe-Asp-OH 2779.16 5412.33 5010.6 5916.11 3181.04 504.8 4224.66 4789.63 6646.14 3703.41 5554.49 1709.36 889.86 4970.66 6579.2 5719.91 5671.9 6930.55 5874.24 5833.04 5785.73 2223.68 4624.7 2690.19 5469.57 6734.9 3769.86 4200.43 4701.37 5420.69 2740.36 3362.32 5274.99 4402.93 6171.3 2721.71 8195.62 6598.58 4789.74 7025.71 6290.98 6490.85 7629.02 4860.24 4411.28 4673.14 8598.33 6822.88 2987.64 3892.02 5370.55 6813.99 7721.81 6490.42 5261.29 8381.53 5030.23 5543.88 4836.3 7465.32 6244.44 5419.54 7303.93 7397.01 4825.05 6080.46 11174.28 5551.7 5903.89 5275.93 7556.66 6374.7 7032.91 9756.09 6731.44 6633.5 6465.17 6684.07 5877.54 6456.59 6290.12 6235.65 6476.98 5778.41 Val-Leu-Thr-Gly-Ser 1248.65 2978.51 2634.85 341.06 4641.73 26884.12 1328.97 5048.8 7990.61 741.15 2306.86 4207.53 1228.65 1910.74 1788.03 649.72 520.01 3951.08 1359.16 10567.83 4941.07 1973.7 1908.28 2658.69 2256.53 7663.43 340.12 2546.82 5669.86 7410.63 4323.72 6512.88 3134.92 1825.61 746.24 2908.81 3206.59 1811.2 1811.39 1173.03 2832.14 5362.67 3501.9 410.43 4910.57 2354.83 10508.6 4025.84 4122.98 4228.57 7208.08 2632.51 366.32 853.61 2464.39 3661.91 2199.15 1227.46 4483.98 1866.14 1549.33 2549.3 4094.98 1991.92 3619.11 1724.47 2805.96 3002.92 722.09 2038.46 1477.05 3170.97 1593.19 638.98 653.75 3180.63 3235.21 3372.02 3830.93 3214.63 3606.79 3430.59 3475.25 3732.16 Asp-Thr-Gly-Thr-Ile 3870.04 1437.82 4907.61 11633.06 2748.52 3358.37 2429.48 2849.34 1928.61 1845.76 2049.25 2211.27 1001.59 1325.42 1787.38 786.9 608.67 857.42 4376.24 1465.29 1239.87 1120.94 1867.05 4233.13 3320.47 3104.02 1466.64 2831.61 2856.06 1411.18 1622.71 3168.55 7108.22 17402.24 6358.23 1295.35 899.45 8159.91 1275.63 4940.98 1184.76 742.25 9365.56 3235.67 2444.5 6979.71 1660.62 6808.87 2698.26 1566.23 1598.59 1936.85 6800.75 5843.28 9362.77 2806.39 9394.65 6570.88 1426.82 1241.97 2046.67 5164.87 2316.29 5246.38 4342.39 3548.7 2688.3 2890.47 1954.9 2400.14 1511.65 4129.56 4702.2 7099.87 7318.19 2692.68 2746.34 3044.49 2978.75 2639.38 2532.52 2658.49 1997.05 3137.32 Ile-Leu-Ala-Ile-Val 3443.87 509.4 2867.76 2905.88 6057.65 379.12 929.28 3715.56 5881.29 3777.12 2865.03 678.43 3516.35 408.72 3992.38 558.69 3316.52 4435.57 5317.7 5779.86 5837.77 1034.13 3441.97 12537.49 3394.27 3963.97 529.47 3957.6 15222.03 7553.37 5694.91 6861.45 3571.06 4422.08 1426.06 3774.56 2994.5 4680.22 2967.83 1227.53 2228.61 2383.69 3390.47 866.19 4264.38 3781.76 4809.75 14181.88 6310.8 13769.11 1187.98 3215.73 1768.43 2330.4 10807.72 4020.52 611.16 715.75 3470.08 3597.13 1069.04 2006.06 4001.53 2956.4 9436.77 1435.34 4696.43 3479.69 2123.1 4191.17 11909.54 5682.93 6362.64 877.52 6537.83 6373.83 4570.48 5592.04 4816.96 4547.52 4119.56 3204.01 6044.86 5305.27 3005.72 2197.1 4774.12 4841.1 5329.6 2349.63 3643.37 1813.06 6403.44 5806.2 2947.71 5575.78 4781.65 3385.69 5087.63 9290.78 5319.82 5518.38 5519.97 5386.54 5600.16 5411.64 5521.64 5359.86 5530.25 Val-Thr-Leu-Asp-Met 810.82 15129.41 2413.61 3305.44 523.57 24813.44 3296.85 1003.55 2608.09 861.75 727.9 1030.79 7866.84 5933.76 1338.6 1321.28 1161.98 11350.79 1386.74 23873.99 2159.55 12740.11 2820.94 7879.94 1496.41 1644.08 611.55 420.73 15036.45 730.98 12865.77 6163.18 8557.57 4250.89 5999.34 3637.69 783.47 17881.89 5404.59 2459.05 1711.94 1758.47 6920.37 3757.34 7538.36 10291.12 20201.44 7016.96 5870.71 12172.16 761.37 3337.12 688.67 2319.82 1945.8 13782.48 1998.21 3246.23 851.95 11901.32 2568.26 6667.44 10573.16 7099.68 7048.2 452.74 3527.99 3458.93 9192.49 1103.66 3298.99 659.86 1302.32 9209.86 6217.09 5957.75 5644.96 5901.91 5902.97 5904.38 5912.39 5677.39 5327.79 5865.15 Phe4Cl-TyrMe-OH 22918.6 3613.93 9870.65 2025.66 19156.14 2613.68 2152.04 28185.86 23081.1 18571.24 20061.21 17478.42 7979.4 2044.01 15783.22 24591.23 9568.28 18378.71 17712.25 34231.5 24691.35 1098.45 11047.98 11952.57 23629.71 22306.45 17108.6 15660.23 35149.84 17280.5 24703.4 40987.41 804.71 13591.71 14919.1 25250.56 18604.18 10211.43 9602.95 9093.13 18285.18 27806.53 17312.27 13295.21 35393.66 9416.09 14395.36 12190.35 25919.29 23607.2 27612.5 17786.4 13206.91 8067.25 22594.98 12235.98 5948.48 6590.23 23511.98 12758.48 16074.53 8882.98 21990.86 12019.91 15963.33 26268.54 15647.04 16186.11 16677.96 23608.58 12763.54 20053.17 17475.61 9475.73 5619.47 5261.76 5222.26 7801.59 7412.52 5236.77 6353.96 7126.53 4574.32 4739.23 5468.67 3171.0 5057.6 3409.27 4084.15 4036.73 3590.92 4867.59 4630.48 4041.08 4561.59 3533.62 4816.27 4620.9 4493.83 4171.2 13442.81 13321.54 12802.91 8412.9 12730.52 14534.42 12889.78 12629.21 13477.47 Microcolin C 441.32 2353.3 810 2138.92 2917.76 2717.35 575.17 1045.52 408.77 346.58 1831.21 3552.9 7243.06 3609.85 3340.87 5029.15 3982.44 6555.77 3488.63 6824.46 3229.36 3316.04 3434.65 2192.52 2169.86 3460.81 358.46 1740.86 3430.73 1942.37 2042.79 4102.93 4336.95 540.28 1107.02 2055.71 678.71 398.28 2087.72 816.38 6043.24 4783.59 2744.89 1923.07 5907.97 1781.76 4181.51 2494.64 2621.25 4456.98 801.44 4243.34 2602.51 4290.67 4489.12 5422.89 2480.23 3088.52 1014.8 1113.27 1136.15 1627.6 4792.32 1924.71 1112.37 5418.48 7258.97 1437.89 2620.98 2142.13 989.49 1888.53 1114.38 4490.58 2830.36 3994.37 3986.27 3831.71 3989.64 3201.74 3997.72 3804.86 3948.43 4297.59 Latanoprost-d4 48.95 1.54 1.54 159.75 1.54 24.04 78.43 1.54 1.54 1.54 92.19 9.29 249.74 1.54 1.54 302.64 20.51 9.5 18.95 1.54 8.2 1.54 1.54 1.54 1.54 1.54 1.54 12.86 1.54 68.65 8.54 139.09 1.54 124.45 179.06 1.54 1.54 1.54 1.54 1.54 166.9 163.44 1.54 10.96 1.54 905.27 1.54 1.54 1.54 57.99 1.56 1.54 1.53 41.84 1.53 1.54 7.67 1.53 1.65 1.53 1.6 8.66 1.54 12.35 31.8 127.37 1.53 1.54 11.45 1.53 1.54 1.54 1.54 170.19 81.65 112.62 107.99 108.54 124.17 112.87 113.72 112.25 105.57 108.3 Asp-Lys-Leu-Gly-Glu 1493.94 1911.54 1763.31 2872.66 5033.37 4306.53 6736.73 6763.4 1635.39 4802.79 1943.59 2097.55 775.2 2325.84 1651.33 3220.62 913.3 11047.98 2847.42 18176.33 11045.74 1041.4 6298.73 9581.73 3232.13 2053.64 11183.81 1394.53 6500.43 35406.6 6057.73 9746.15 1245.67 20801.93 18549.67 8953.05 4156.92 4211.32 17086.43 13222.8 15904.98 10700.39 30650.09 12123.46 7762.06 3654.95 2899.52 21913.87 19929.44 30615.42 9531.77 3371.44 17819.06 8582.44 3887.46 3518.69 3977.35 9161.07 5789.59 9140.73 8324.86 13117.35 3361.99 22125.5 24903.81 1408.07 8139.17 19157.47 15862.36 4645.44 6763.44 26930.7 21801.1 13699.17 11549.78 9606.65 9807.8 9825.32 9807.15 9372.75 7996.77 9803.96 9432.94 9673.27 PGF2 serinol amide 5541.96 1155.91 43755.5 642.83 5145.29 928.03 4937.61 11198.31 3706.84 10582.54 1746.15 6931.91 13145.85 1383.58 3905.19 11884.03 16948.25 716.92 21359.13 1681.12 3857.72 4455.63 16373.1 835.15 5056.68 1440.95 823.66 10980.39 19747.28 2390.27 2978.21 2707.32 6714.03 5568.67 2238.41 23394.35 6163.64 4559.68 6616.53 1789.58 2922.01 4577.23 3520.64 7877.87 1239.84 4907.59 5790.02 11282.65 16014.42 8639.84 17865.28 4866.63 3845.53 7991.31 25083.63 1160.26 51231.47 3874.15 5559.25 9448.92 10263.92 8368.67 2247.06 6500.2 2985.87 4095.76 355.12 4297.42 1640.05 6624.03 1187.51 11952.58 9644.73 14874.17 12594.87 9559.7 8838.03 8864.52 9044.05 8940.21 9104.72 8881.91 8861.13 8562.51 Lys-Phe4Cl-OH 7227.73 5845.44 961.63 572.44 6576.21 2783.66 6814.55 15468.81 20636.14 8911.11 5902.5 6455.19 625.8 2640.33 16320.09 15649.92 6889 12392.47 6085.67 17907.15 10780.55 3800.46 3063.42 594.33 5910.08 11435.24 2549.69 6145.26 7373.8 2283.13 10125.29 3853.28 5463.48 2818.45 4600.37 6617.11 16831.07 4370.77 5424.25 5659.58 9943.13 3889.8 5219.56 6926.26 15231.19 3772.61 16381.42 3788.18 5145.58 8990.09 8832.17 3662.77 1311.41 3867.98 8657.16 4358.69 1654.24 804 9560.04 2723.41 6803.91 1640.69 8693.34 6322.95 7288.37 8642.25 12943.31 2060.18 8824.54 14603.78 13526.46 13417.29 8917.28 3098.68 6829.16 9022.1 4982.41 6442.47 6962.8 6742.14 5586.65 6875.15 6410.69 7118.62 Valylalanylarginine 11980.78 21524.14 20311.82 31668.76 8188.57 7038.77 61069.45 18607.16 29292.6 24881.04 27576.2 28307.32 26161.03 21607.28 16709.45 30820.98 14810.53 12309.63 30923.85 17985.1 16728.08 14730.34 20795.75 22843.97 10975.79 15553.76 22377.88 25081.14 16401.33 27649.2 8516.65 29225.07 11498.52 36481.07 26809.22 11836.15 15316.72 15031.21 35277.23 26716.45 3038.79 25508.83 31904.72 22646.88 7467.43 28106.06 13927.57 30021.81 32854.26 41207.5 8948.58 13917.53 29740.89 32314.23 12739.76 15899.9 17749.9 25528.16 13462.25 16186.75 21536.66 22216.33 11746.07 39730.12 32632.89 22526.14 22862.82 38410.26 30035.45 18155.39 23629.28 27500.21 31511.77 32906.85 38526.42 26329.96 26193.49 25772.88 25293.88 25396.3 25439.02 26218.35 26209.18 25246.64 Thr-TyrMe-OH 710.99 2883.54 17063.17 12753.64 552.57 529.49 2347.24 481.75 1177.15 2528.38 638.32 605.02 10591.38 3251.79 3992 1075.2 5042.68 2503.76 460.84 401.1 1270.06 3208.46 4035.64 5864.24 835.51 857.74 4753.96 3609.94 438.41 1357.01 375 3498.05 798.69 5746.54 7845.35 901.44 3235.24 721.5 3595.18 6889.98 2566.78 2395.39 5979.87 5915.46 2799.34 2651.35 4563.64 893.81 2034.87 3386.83 788.81 4518.55 5556.11 12114.8 2515.45 7354.75 11040.42 14648.58 3732.17 3092.43 8798.94 1381.35 8619.75 12827.54 7182.68 4977.24 2378.03 2284.07 3862.53 4649.25 3013.97 885.5 1965.98 19641.14 10814.26 5149.17 4324.92 4974.15 4950.11 5162.51 5210.93 5030.11 5158.66 4969.12 CP47497 C7-Hydroxy metabolite 4954.51 11441.34 6791.29 3515.87 12266.97 18784.16 803.44 12315 4330.99 14132.82 4294.16 6873.76 4938.9 4535.28 22808.71 8603.79 4224.91 11257.65 5197.01 25100.9 15094.3 4457.5 4798.75 14267.59 6676.57 19720.72 9618.6 12380.58 19819.95 4985.52 2157.18 3113.81 21018.03 11195.91 18092.11 12222.61 6343.15 15185.29 14273.24 11641 5999.42 16469.92 12715.29 5717.9 2217.4 10320.4 13233.04 18330.41 2203.11 3367.8 25169.44 6792.99 12100.21 10569.67 7820.58 10412.6 6499.09 4380.1 8096.32 11406.5 4995.43 13179.78 11274.64 11063.9 5684.2 19898.05 13019.48 2793.44 6730.48 19375.38 17924.03 6885.8 17840.33 9626.57 4911.1 6497.92 6071.08 6325.03 4807.04 5976.77 6220.53 7244.22 6922.1 5999.02 Val-Leu-Leu-Val-Val 4543.39 5063.87 815.61 825.23 1706.13 5101.12 2726.65 8050.67 3155.98 5656.25 2463.52 11036.29 4218.28 4519.34 7297.45 2646.08 2655.05 9095.58 4922.66 11622.29 15472.38 1300.59 1565.86 2166.64 8790.34 5154.71 1273.86 1298.82 4640.97 1767.16 14899.76 15900.48 5274.61 1893.07 1911.43 6371.74 3488.56 6314.9 4285.7 1305.84 5353.12 4315.51 1287.01 606.79 9136.64 3220.88 6570.25 5161.93 3830.7 5661.93 2080.61 5249.38 7028.23 4180.19 3284.58 4077.02 2148.28 2238.1 4710.29 2680.73 2170.29 1419.15 8055.62 2283.91 8368.28 2617.29 5107.28 667.93 3690.11 11944.49 5424.26 3965.59 2383.34 3879.12 7566.3 4646.84 5640.27 5728.76 5622.16 5710.9 5693.85 5311.12 5021.67 5241.15 Lys-Tyr-Tyr-Arg-Val 1448.93 2663.69 938.48 1106.75 4203 5360.41 4525.65 2724.34 1944.97 3373.46 1258.71 1356.55 3220.1 1933.95 2300.1 2532.75 716.5 3558.58 8604.92 3828.01 3644.46 1258.98 1823.53 3007.25 3130.26 3535.22 1862.6 1850.08 3968.12 3236.18 2602.26 7189.97 797.83 3909.08 3299.75 4461.65 5443.79 3958.77 4369.86 3950.74 4740.81 4524.91 2620.97 3211.22 3873.52 2746.41 5971.6 2865.75 1610.26 5681.41 4840.84 1993.52 2150.62 2819.79 932.64 3316.55 2405.24 1340.1 1758.29 2058.51 3390.04 2315.7 2630.88 4234.53 1973.46 2375.11 2972.8 2148.95 2413.64 2811.67 1379.83 4868.42 2847.71 6104.85 2758.9 3371.57 3037.62 3459.4 3234.19 3460.74 2932.38 1180.69 3123.78 3473.08 Gal1-3GlcNAcSp 785.38 2221.39 3232.04 2201.77 1699.8 1506.82 6887.46 1753.45 706.55 524.41 1388.21 1098.3 3502.63 3500.69 778.37 2174.05 1955.48 707.84 1662.29 498.61 647.24 393.07 2374.61 1223.14 1625.18 612.62 1622.15 1933.02 553.42 1507.55 718.96 1243.46 1128.32 3959.45 2989.17 518.53 473.76 953.47 2855.04 2671.41 1715.84 679.68 3754.97 3122.57 643.77 3255.09 652.1 2267.45 1256.87 1595.21 3631.05 2533.13 431.92 4537.16 2125.49 3019.14 3316.06 3348.46 1011.26 1804.35 2761.35 3302.66 2416.38 4512.02 3173.63 1725.06 558.41 1022.15 2070.67 1134.45 402.55 1666.83 3413.26 4102.4 3972.91 2276.78 2500.48 2480.41 2340.65 2312.31 2485.74 2439.8 2517.09 2268.65 Leu-Leu-Leu-Pro-Gly 2506.24 2411.94 4015.78 3429.22 3599.95 2672.08 4375.41 3047.13 2817.78 2844.13 2811.12 2245.3 3804.36 2802.33 2666.41 2738.57 2402.16 2688.12 3237.06 2959.65 2451.41 1913.15 2592.29 3213.23 3061.45 2506.91 2729.03 3373.85 2844.08 2459.21 2329.8 2891.87 1830 3842.96 3134.79 3092.4 2963.51 1093.85 3118.5 3922.94 499.37 1749.76 2922.68 2950.12 2503.33 4894.91 2012.3 2589.95 3645.62 1705.19 4291.35 2470.36 3406.73 6170.89 2675.39 1372.55 3536.05 3157.87 1445.57 2830.24 2926.1 3060.25 3263.67 4025.61 3320.07 3880.33 1203.81 2477.35 2001.81 3128.93 2379.74 1443.23 3958.09 4397.57 4147.13 3208 3144.44 3219.52 3206.7 3208.33 3209.18 3172.86 3162.32 3207.78 15-keto Latanoprost(free acid) 483.68 762.75 406.09 310.65 6853.21 708.35 1628.75 1438.51 2931.37 2203.83 991.44 3543.37 637.62 683.11 1907.12 390.46 398.65 904.75 1159.01 871.04 806.42 740.86 526.27 500.2 1580.31 1454.33 684.78 448.27 2150.64 1173.87 1893.74 1859.27 938.67 526.76 405.51 515.2 876.06 872.1 810.44 953.65 3436.39 2775.56 661.74 745.26 3863.53 836.37 562.93 978.73 1247.68 646.71 1890.5 352.49 513.28 682.66 2502.05 1055.33 1034.01 795.16 846.5 2808.43 800.11 512.39 410.5 1106.11 797.69 2787.83 1088.22 683.29 1154.99 1539.16 1096.52 1055.14 1213.75 299.09 412.29 1780.57 1781.28 1775.69 1636.6 1796.03 1804.05 1705.26 1093.93 1882.44 Thr-Thr 2666.8 6915.72 13548.43 12970.98 4590.31 4612 9921.43 7673.35 6765.39 2776.69 4783.45 2428.74 2616.63 6100.97 10135.49 10195.61 5996.95 5453.09 815.7 4492.01 2391.97 2765.51 2742.89 8343.31 5182.73 2698.46 2909.05 2306.39 3388.75 1905.28 1620.55 4388.05 2986.43 5950.36 10658.41 3483.63 7070.94 3469.83 7986.57 6919.7 3998.68 2648.07 7707.7 8635.98 4797.18 8394.79 4341.71 17886.02 2009.43 3801.48 4274.85 7554.9 8215.86 11074.8 9054.53 10254.88 20651.13 13413.71 5449.54 6811.58 8947.37 6385.46 11485.68 14730.34 8095.93 7007.03 7101.58 4591.57 2805.3 7146.8 4098.84 4353.67 10558.81 13316.05 13179.83 7192.64 6914.73 6904.62 7191.95 7205.18 7170.9 6903.69 7126.22 6301.77 8,9-EE-14(Z)-E 5347.93 5489.06 5849.6 18196.74 61940.65 2954.91 3885.76 3571.38 3401.29 35565.21 5640.86 3771.09 17352.18 2455.83 2430.79 4279.84 4131.22 30041.96 3690.96 5190.32 3204.31 1874.63 3617.8 5765.4 7564.85 1355.86 7366.45 6003.02 2836.86 9350.57 16479.78 2443.42 861.16 3353.65 4894.39 4938.66 1275.68 10377.91 5109.31 3521.1 5402.9 6626 1288.95 2778.77 5002.51 1641.27 3723.27 9480.92 10020.97 4424.21 3119.9 5902.38 5360.67 1978.7 3318.5 5936.2 3087.84 5246.79 5760.4 2835.2 21068.76 2845.61 2664.61 1805.51 2973.07 3879.8 2871.81 4339.37 2556.64 1365.51 6348.8 1255.79 3948.07 7380.53 3309.39 6836.49 2379.6 6272.78 7075.58 6382.57 7300.58 6355.57 7031.02 7218.11 (1'S,5'S)-averufin 43566.13 36663.88 10617.55 13331.58 41260.85 31287.99 26780.3 58020.74 57821.03 32436.54 24556.65 25827.82 8661.27 22332.33 44735.87 33575.42 25392.7 42128.71 29535.38 60580.93 47470.32 15697.2 12710.5 20945.87 47109.91 37447.02 25038.8 31318.25 59465.33 27670.23 54813.91 30754.43 32757.47 13578.42 17115.93 44501.99 56583.39 29167.32 23700.58 31033.61 45996.76 45463.99 23498.74 20586.29 47640.06 15022.13 60369.53 34257.74 24562.52 44298.23 35148.12 31138.49 19779 23641.68 37763.32 31560.01 5627.51 13596.63 44210.95 15312.47 17378.39 12925.22 32501.82 26789.48 29586.91 36270.96 46345.64 26445.72 34175.26 51453.95 54421.61 33311.77 40743.2 22678.56 27892.11 38650.68 37133.68 37494.57 37457.3 37276.01 37119.74 37054.68 37129.69 37447.96 TG(14:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 3665.67 2876.6 1891.69 1044.42 521.58 1274.76 1673.62 1882.4 2442.25 5200.34 2069.11 1248.07 1512.32 2772.82 1770.03 1115.89 2433.11 2792.52 1404 923.98 2680.37 698.54 667.35 3047.33 688.92 4540.48 2058.87 1782.78 1478.52 4898.97 1253.19 1371.9 2819.92 1011.77 1108.52 1780.86 991.96 2126.91 2118.4 1193.47 953.65 1580.79 1489.56 904.37 2605.08 664.58 1408.44 590.2 1330.19 1304.24 554.17 1412.28 657.95 1154.74 1048.17 1217.63 1443.62 1056.43 1600.04 2804.58 809.33 1009.37 695.57 2587.49 1486.97 1836.48 786.06 1125.93 1654.22 789.34 890.42 3772.67 2077.5 2003.63 2630.3 58733.47 31262.27 65839.91 60261.28 49755.16 53451.94 56180.26 32438.47 45784.9 50958.46 29338.13 40095.74 37775.12 35177.65 30860.71 28501.76 39297.36 43323.71 38177.95 44014.84 43952.57 46143.47 47804.77 44573.0 26203.0 1443.47 1417.33 1417.34 1316.63 1497.27 1366.07 1442.79 1442.18 1441.96 [(2S)-2,3-di(pentadecanoyloxy)propyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 504.72 1100.08 606.66 367.53 544.74 569.12 486.99 437.8 796.82 408.62 303.37 2442.75 505.33 423.92 472.78 722.21 581.16 499.81 485.01 1087.03 817.44 357.23 1518.12 376.85 760.35 553.96 427.31 442.66 535.66 1060.49 345.25 414.95 2063.67 1101.1 539.32 1012.38 1376.56 682.26 1062.51 297.68 1326.07 659.19 1213.96 677.52 944.47 1022.9 2023.85 1335.4 795.33 435.47 614.17 711.88 384.84 252.73 568.52 800.51 323.09 387.16 894.22 874.42 529.6 277.86 572.93 721.58 1014.66 457.61 1178.11 378.73 647.39 755.9 870.03 490.82 1117.83 530.1 850.94 1152.53 1044.68 1181.38 1196.39 1240.61 1215.49 1070.85 1302.63 1197.38 TG(15:0/14:1(9Z)/15:0) 45253.56 39302.36 845.52 43397.51 20237.45 687.74 35765.83 49868.62 1658.83 2912.77 43029.99 32025.78 28901.1 618.96 44150.27 39540.08 46802.61 51377.63 39312.91 45419.29 1402.02 1174.24 734.78 50813.42 689.13 44227.98 469.27 37319.72 30183.15 50311.23 811.43 1324.63 35273.25 57186.69 70790.13 61884.73 70714.36 78146.34 90388.81 12284.04 39826.83 37712.45 61913.54 73325.64 23807.3 56236.48 44999.54 58117.43 62195.01 35970.61 51263.2 60781.01 72178.79 52699.67 41247.93 47172.2 45054.26 74519.89 67302.16 99765.28 75066.46 95250.86 45699.67 69656.29 61009.84 51133.52 53282.64 81047.48 75636.68 37553.61 66987.67 80928.33 21346.35 47665.2 58476.33 57323.34 55226.74 56013.22 55232.76 55279.05 55940.97 55977.81 55448.14 55272.41 TG(14:0/14:1(9Z)/18:3(6Z,9Z,12Z)) 1912.34 737.75 855.17 2217.63 1917.04 1584.88 3262.2 1292.33 1721.63 426.55 577.34 385.31 1546.71 555.29 360.01 1781.12 741.65 1281.48 518.49 1041.97 2023.04 529.05 1907.12 686.79 645.3 1309.25 387.98 1513.77 1565.15 1756.99 687.61 520.48 439.17 3606.81 6495.25 4489.52 5215.23 5088.24 5267.83 5807.64 2656.68 3960.43 5121.9 3705.87 5064.37 2747.97 3122.41 3080.19 5274.07 2550.26 6414.48 3076.34 5038.47 2755.42 2511.23 3544.54 2399.29 4574.22 3577.54 3383.92 3161.09 9957.26 3800.76 3922.08 2940.53 3622.81 3340.3 4194.8 3415.65 3710.42 4373.4 4144.51 2641.77 1723.45 3212.6 3544.43 3307.79 4369.82 3265.15 3957.69 4338.53 3927.27 3924.39 3965.57 [(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] 20-methylhenicosanoate 2484.3 6114.55 863134.9 9040.89 3433.93 145307.13 642177.84 1345990.49 854140.14 492069.59 5900.76 3521.13 1127.43 2835.41 11259.18 815681.91 12221.33 1507.45 4128.5 1780.06 5142.05 278251.06 5824.28 9620.12 9736.08 2589.66 293511.55 9560.27 3247.41 1058.19 87343.05 3787.29 609166.4 1529231.64 1149637.55 1751498.93 848960.74 69576.88 774937.44 421533.72 159065.01 404448.17 1413090.14 147892.26 397925.99 686082.33 1237804.69 1813384.13 2196286.24 1040245.04 584784.6 1689706.08 1521954.92 1184456.5 1887415.82 813863.46 1754828 923060.52 1281081.86 26790.49 1227993.83 705956.58 1712847.53 2761342.17 1396028.87 858658.3 93833.64 591439.31 166178.34 1385818.66 342748.47 550392.8 1033982.9 1137035.13 938529.54 1180578.73 1176018.83 1172357.83 1168985.11 1182147.18 1197355.34 1159345.91 1169600.83 1139730.63 9,10-Epoxy-18-hydroxy-octadecanoic acid 9659.72 10856.54 12126.75 24991.66 29672.75 30136.91 2262.35 4270.68 18253.02 10140.7 16408.24 10915.71 15542.5 13963.56 12923.82 21574.36 17513.09 2424.05 10198.51 1653.71 26443.59 12502.17 9841.9 11558.04 8611.46 5418.28 6846.76 9012.08 15654.16 12870.41 14805.67 18277.63 2857.16 13691.75 15227.82 14291.84 7549.13 12653.38 12793.15 5535.83 12794.88 14767.84 12550.17 42504.96 22895.45 40605.85 16945.59 20970.59 10166.82 26264.76 13402.31 8999.65 9687.75 15511.12 3769.84 26184.04 16867.47 12718.73 11300.07 5067.69 13301.16 12902.7 10432.6 8110.24 6331.1 18781.66 27517.07 14428.44 33815.11 8800.39 17286.62 11901.94 6847.15 13215.3 46761.88 15725.19 15226.73 14596.53 15278.93 15165.44 15104.81 15380.97 15388.24 15102.46 (3S,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 20533.9 19053.93 6770.33 11633.3 46110.83 56398.3 8035.08 26351.21 31997.51 19248.26 14477.67 19286.54 17608.92 13834.99 18965.7 14635.69 6274.62 20870.82 29296.9 39625.75 36162.24 15194.56 15869.62 11238.54 27576.66 28878.72 12988.12 21170.81 27815.26 22349.6 40727.84 57410.13 14775.21 22426.74 15572.69 26930.62 27730.4 18103.2 13759.69 12576.72 21647 44038.4 11359.95 10205.55 33984.17 13340.87 42143.82 17334.54 19963.97 49576.28 34692.38 20359.07 11377.97 17130.11 20889.66 15379.52 8339.98 7819.58 24795.19 14551.79 7427.36 8047.43 23345.32 16492.98 10555.35 36001.29 46622.07 17019 15023.99 26016.58 22941.18 16924.92 21679.47 15743.02 16786.3 24407.1 25153.02 24929.04 24690.83 24870.8 25301.33 25151.76 25152.74 24860.17 (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid 2775.93 2614.2 2877.17 5676.13 9245.44 10794.52 2142.17 1586.21 1851.14 1254.22 1523.64 2604.9 5198.19 2847.14 3243.41 4158.18 3006.78 3366.24 3091 2706.99 3100.23 1830.57 1037.38 2524.52 3317.73 7609.94 2477.74 2419.32 3808.76 2862.77 3211.12 3448.27 1512.55 3911.79 2639.83 3192.41 3452.24 2166.92 2376.58 2494.17 7220.75 4165.56 2709.11 950.84 3773.66 5769.44 3647.78 3242.99 630.35 3563.47 3766.67 3408.75 2404.34 3205.25 3925.55 3966.57 2118.35 2289.15 2651.85 1831.77 2483.94 2996.24 3145.89 3271.08 2903.47 3751.23 2253.38 2484.81 3090.48 2452.97 2129.3 2945.38 2034.27 913.7 3081.63 4223.12 5189.46 5293.87 5210.78 4920.37 5295.13 5210.43 4981.73 4854.88 DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0) 4496.19 11221.63 5493.35 4019.02 19687.35 20672.54 9346.57 9270.66 3529.6 8880 945.62 9939.77 4668.23 12149.91 8616.97 10086.03 10637.14 5698.59 11268.35 25515.74 17572.56 2572.01 1702.01 2401.42 3198.58 14147.86 8768.75 3610.11 3765.95 4560.62 7736.77 12722.86 5339.92 10051.27 10606.41 12756.17 15209.06 6858.96 6428.31 12136.51 8900.08 14317.35 13616.22 9744.26 11375.26 2244.21 13185.69 10917.69 2619.13 6426.16 2887.23 4350.37 6128.94 4611.94 12392.9 13077.01 1892.87 9762.75 16067.37 10177.79 6966.79 4997.61 9293.6 8247.99 6456.92 14013.85 9045.1 10429.82 12709.87 9956.46 9211.37 1858.7 1282.59 9483.58 8119.8 4900.6 5095.89 4148.84 4086.04 4502.41 5009.49 5000.99 5259.66 5003.49 [(2S)-2-hexadecanoyloxy-3-pentadecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 1683.51 1202.9 1990.35 1096.55 1996.83 2008.51 3084.74 712.05 3889.16 1460.12 1035.47 935.14 864.41 1280.28 1856.01 1724.36 1239.58 854.89 1298.69 728.74 542.54 1514.16 1627.29 2249.89 1224.37 1126.64 2395.67 1955.74 2151.88 2867.67 468.38 1529.4 839.42 2839.22 4438.54 3348 3088.66 3322.75 2553 4730.93 2959.86 2392.45 2018.47 3067.1 2921.15 3280.17 1987.24 3856.56 988.97 2371.96 827.83 3654.6 3348.67 2361.93 3005.5 2308.6 3278.32 4570.66 1898.03 3216.91 3765.9 3346.45 3427.66 3274.52 3131.59 2098.56 2171.98 3249.05 3822.25 2927.11 4876.56 3662.89 4857.73 1301.95 3249.58 2959.66 2958.69 2964.93 2846.62 2876.17 2829.93 2822.03 2977.61 2820.45 2-[(1Z,3E)-5-carboxy-1-hydroxy-5-oxopenta-1,3-dienyl]benzoic acid 68361.27 65026.6 63185.06 76358.02 56204.03 62148.84 90767.41 96342.52 90592.74 88701.56 82049.57 78815.92 64558.27 79966.69 85681.12 71397.92 87928.54 70448.42 72180.8 68819.52 81659.16 72984.45 80345.96 73938.7 74120.62 70875.6 74109.5 86461.04 62114.92 80400.36 56457.93 52765.64 74282.92 71181.07 94341.99 89326.46 95152.94 88187.05 94884.29 95293.08 90261.7 71195.19 87398.49 97231.23 83051.08 66176.78 76349.18 89680.34 84616.4 66982.32 86182.75 71367.17 82195.47 66483.54 72850.05 71027.57 86137.22 84711.15 79090.75 83045.65 77964.35 72969.57 72746.51 91388 85511.14 72996.74 65169.77 73611.51 83555.98 87658.48 70785.28 74233.82 92158.79 84590.78 82829.56 81089.79 80720.04 78960.22 80235.11 81108.07 80537.43 81133.93 81092.15 80189.21 (3S,5S,6S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 4247.25 4898.78 4010.83 11769.53 4679.88 3368.38 607.55 7774.55 4976.05 5747.15 11309.02 4309.03 24437.16 3000.9 2047.94 5709.37 7457.6 9172.16 4290.22 5375.49 5228.76 6487.94 7550 5081.72 2767.18 5057.93 5443 3703.05 4607.01 3123.38 4170.67 5458.15 10958.65 3027.81 2455.04 1066.3 6382.8 2097.92 1199.94 2644.6 5151.99 1649.12 4835.89 1008.51 5813.69 995.49 4501.84 1764.57 3501.78 6899.81 3260.34 1490 2633.33 6852.83 2625.27 1980.02 1608.87 1582.55 1958.31 1454.52 2907.18 1548.02 3361.99 7313.66 1201.56 2568.38 2280.99 2379.47 4741.05 2343.64 1425.75 3934.66 2625.02 4832.67 1218.18 4206.57 4314.31 4697.74 4814.61 4202.98 4194.74 5070.84 4720.49 4109.67 8-Ethyl-12-methylbacteriochlorophyllide d 16968.71 25087.36 1484.36 9674.23 31246.76 61129.51 1062.76 3141.81 39905.2 19057.75 859.38 13901.3 18130.94 18720.81 2986.62 15945.46 7697.93 1856 2998.15 1708.98 17611.32 2689.07 11385.45 12782.91 14593.46 28441.36 9490.68 10055.06 23505.57 13372.55 30994.49 24423.71 2159.81 17014.2 11578.42 17408.83 14612.91 29966.69 9979.77 9218.43 35397.17 25145.46 10936.36 10673.22 40409.18 19647.16 28760.98 15131.09 14717.92 23347.71 12426.27 19685.88 13938.3 22693.7 15006.54 15553.69 8662.3 5917.94 14190.99 12401.87 7066.44 9096.15 19262.53 14606.83 12359.71 21043.61 31174.25 12107.97 12100.88 18850.67 20772.38 17013.31 11860.29 16803.21 10962.92 22712.4 20897.42 20882.68 19974.88 20651.8 19704.02 20971.42 20969.14 20987.82 (3R)-6-Hydroxy-3-isopropenyl-heptanoate 1342.73 2527.27 25617.47 5810.84 16381.53 16268.49 18591 7465.93 1208.93 670.85 3721.21 3356.53 4871.66 1564.35 3016.25 5567.82 5442.97 3372.83 3482.15 2170.1 3327.47 2495.32 4770.27 3457.49 3618 1969.29 1431.41 2435.96 3189.86 2672.75 1348.5 4188.37 4080.08 4208.71 3003.54 3374.88 2286.72 1987.16 2975.63 3268.42 6294.37 1398.51 4251.77 2185.23 2064.69 6919.02 3942.3 2763.25 4283.43 3962.14 6013.23 4305.76 3879.36 3965.18 6094.36 3517.5 23670.09 2715.77 3346.12 1584.48 3170.19 2807.68 14591.29 5669.4 3832.17 2649.75 1440.3 1978.87 1938.1 6625.27 2808.71 3604.24 3739.19 3652.25 3846.42 4008.75 3884.56 4148.56 4216.95 4309.21 3974.99 4138.51 4008.69 4026.42 TG(15:0/14:1(9Z)/14:1(9Z)) 982.74 975.08 1454.3 1021.2 934.8 1067.21 1556.28 1181.27 1150.21 1176.96 1223.09 1167.27 1060.95 969.14 1209.99 1048.96 1397.34 413.98 371.88 860.66 722.09 1168.57 527.24 1429.19 1192.69 330.63 999.31 932.05 828.02 1057.82 329.22 879.15 968.3 1766.52 3509.96 3138.63 857.59 1533.98 1857.59 1564.99 915.41 423.73 1534.36 1274.01 1186.47 786.82 2581.5 589.51 1708.29 1853.43 1719.22 1316.98 933.11 1654.08 1927.1 1214.66 1074.23 3856.92 1893.63 1361.75 575.96 1456.25 2991.62 1851.05 2640.91 1602.4 1351.99 782.57 885.18 372.72 1265.95 1223.6 2235.93 3213.62 1538.37 1810.22 1842.46 1836.89 1943.77 1950.88 1833.2 2199.85 1824.63 1549.84 (3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one 52911.65 32129.7 31050.95 2355.99 850.42 20432.75 23283.96 37366.02 26312.85 7856.94 61472.2 50088.36 34932.95 34973.34 29393.01 33803.44 29817.31 1935.18 35638.35 23344.32 1499.37 16972.44 33440.71 43879.94 1082.75 29492.96 46363.93 56989.51 28649.17 62340.87 33314.84 42724.86 15132.93 34543.87 50940.22 20630.6 28372.02 27740.21 53595.19 25387.69 19848.5 77235.15 19073.65 31705.71 22422.16 41747.6 21919.9 30777.58 17782.44 38504.59 49200.27 66412 32534.92 54759.74 37744.45 27667.74 25556.13 16720.66 32524.99 16702.38 48006.14 36514.99 22578.21 23613.49 21368.93 65410.99 46407.99 30589.89 31854.64 42125.78 13245.19 18202.84 52476.93 14162.27 80058.92 2001.77 3288.27 1986.11 1556.66 2837.27 2720.61 2229.82 2786.27 2827.95 1345.25 2800.99 2236.55 1836.11 1992.87 2105.15 2546.45 2557.11 3114.74 2818.38 2357.03 2383.33 2086.33 2569.69 2515.63 1399.04 40642.89 36444.77 37819.8 38462.9 25861.92 40860.45 39932 39881.18 41214.26 TG(14:1(9Z)/15:0/14:1(9Z)) 1364.83 1262.89 2254.13 1471.96 1151.35 1119.74 1156.99 1785.94 3431.7 1950.65 459.61 733.74 873.77 1337.85 1371.49 1281.33 1049.47 1571.55 916.98 1270.64 916.46 669.53 1390.28 1496.62 1251.55 1656.51 2066.01 1168.04 1259.68 688.79 1135.63 1248.56 1283.15 2845.73 1257.19 1866.43 1659.42 3525.01 7407.67 3284.41 2975.22 6569.77 1509.93 2344.02 1415.3 1826.03 813.68 2323.33 3280.16 994.61 3214.57 522.65 2169.98 469.81 1913.67 1666.04 1288.62 1823.21 1833.1 2245.86 2496.35 2102.36 1247.44 612.98 2186.29 652.74 888.92 3262.25 2027.42 2544.31 2247.19 4559.24 3244.96 1623.25 2936.28 2040.46 1740.95 1778 1830.37 1826.93 1821.11 1804.32 1366.05 1721.28 1-Erucoyl-2-eicosenoyl-sn-glycerol 1562664.19 1643957.2 2512649.45 642068.86 1491626.56 128459.73 1223283.3 2127088.52 3625959.9 1910315.45 1762655 663604.7 1600029.13 1268387.65 1625059.73 1530024.16 886163.36 391873.6 3667105.27 1187305.78 2237675.22 258198.96 3195576.02 2695970.88 2768529.11 951349.86 3213359.16 1106538.9 2212178.66 282216.83 319471.91 1584931.62 1249405.47 2924636.17 2118918.29 2516872.31 1867782.95 174357.29 1983910.55 959704.71 465517.04 1636439.97 2012491.62 712471.54 1629392.79 1158994.85 1999611.97 1820817.68 4438071.73 1996460.88 1067374.85 1542314.33 1928319.74 1855571.99 1076435.58 1600746.1 1454127.11 1117473.08 1085152.64 156287.64 1997954.02 1102804.09 3095215.24 2135475.98 939668.65 1710915.14 830404.8 1758752.22 562590.93 2489970.88 2273973.3 1998453.78 1348731.42 1206608.46 1863807.54 1709157.3 1683168.62 1673915.23 1671113.09 1682186.49 1683488.08 1672348.73 1683252.71 1672183.69 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 504.69 1251.52 890.68 976.56 829.84 1485.01 519.54 1131.35 811.33 1055.75 901.84 802.02 514.21 1407.76 454.09 847.29 1303.58 658.69 1557.56 832.99 597.4 1542.93 507.33 1360.92 1241.72 843.41 686.48 1375.01 562.98 703.67 1400.15 610.35 1626.91 3415.9 1003.94 922.67 636.39 2207.14 987.89 969.56 507.21 866.91 1967.67 2027.08 1503.56 475.08 1715.57 1893.33 496.42 1438.01 1433.69 1236.7 1570.94 2125.73 964.02 1353.68 1077.56 1129.59 859.52 1122.36 765.14 1186.94 931.3 1435.3 1604.66 1455.54 3748.64 1146.88 1799.33 902.73 1172.91 1689.24 1523.35 2573.19 2406.54 1552.08 1552.21 1542.84 1543.76 1515.78 1488.72 1256.44 1481.48 1503.21 [(1R,16E,27Z,29Z)-1-hydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10,14,20-pentaoxo-11,25,37-trioxa-4-azatetracyclo[31.3.1.0(2),(2)]heptatriaconta-16,27,29-trien-18-yl]oxidanesulfonic acid 7.57 7.17 7.1 8.01 117.86 7.57 7.57 7.57 7.46 40.64 7.56 7.64 7.57 7.55 7.3 7.58 7.58 7.1 7.57 7.52 7.51 7.57 8.84 7.11 7.57 7.57 7.41 7.39 7.55 7.55 7.57 7.14 11 7.51 7.38 238.41 612.63 284.63 7.42 42.18 113.13 513.39 7.5 8.11 186.12 9.09 133 48.41 7.57 82.78 374.62 472.67 7.55 57.48 407.66 390.42 186.42 68.87 230.77 7.59 52.99 95.49 316.38 53.6 7.63 404.08 258.37 7.55 7.58 343.49 8.34 45.86 8.98 7.54 80.4 110.34 92.12 112.52 105.8 103.24 116.19 115.94 100.97 80.37 TG(16:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 386.11 399.95 916.28 999.12 536.07 628.65 999.13 348.74 1095.98 290.68 735.12 916.68 668.44 985.82 495.84 829.14 720.47 328.57 332.33 652.01 781.4 544.45 551.47 345.19 509.7 587.14 785.32 465.05 643.46 574.37 549.79 807.85 432.95 1243.05 672.61 748.31 1533.31 1617.88 665.5 678.93 1775.64 1119.83 933.28 1329.76 1042.65 1634.1 952.09 606 891.19 979.57 1457.63 1059.91 1676.46 1925.59 1026.65 487.4 4441.74 3217.95 982.03 723.2 2649.36 368.09 1580.64 1893.97 982.06 899.09 772.09 506.75 435.58 724.33 606.34 761.39 318.71 1854.4 1247.19 1565.13 949.05 1564.74 1604.59 1328.58 1451.43 1407.76 1559.75 1469.35 TG(15:0/14:1(9Z)/16:0) 513.71 1557.86 1144.27 892.19 1222.58 417.62 985.23 5402.04 3720.82 2329.34 1212.18 884.9 3125.51 2091.05 2047.47 1043.08 1757.12 1777.38 1151.58 418.51 4588.79 899.23 414.93 502.52 4187.6 805.05 1585.04 874.05 1870.45 1373.4 555.9 361.7 1706.65 3517.53 2525.53 3962.93 2581.59 2184.66 1848.15 1180.67 1598.61 2525.79 1875.46 1580.78 2908.36 2344.7 3792.02 2895.73 3894.51 2362.83 2994.13 1866.42 3027.21 1838.98 2379.58 1303.29 2606.36 785.73 2804.79 1224.94 1251.5 4758.63 2688.46 1477.46 383.85 1902.77 2482.8 903.95 2247.11 5125.25 1917.95 2250.08 1719.9 544.38 2035.76 2878.78 2808.32 2872.73 2843.59 2818.75 2906.35 2803.51 2662.55 2798.03 27-Deoxy-5alpha-cyprinol 1524.66 707.12 957.51 698.23 1074.64 1488.97 670.73 1812.84 1210.84 3142.83 1616.11 688.99 840.57 1515.17 840.7 1242.71 2982.17 560.32 676.75 1321.65 1847.18 1126.41 1210.16 685.31 2187 1299.54 2241.08 1194.91 1171.05 988.18 987.63 623.22 1464.55 1103.59 1074.98 574.32 1415.41 1743 3068.11 2940.15 3373.15 666.73 1375.02 1600.81 2738.83 1379.15 2224.48 786.61 3469.11 1244.68 768.68 2150.19 1581.24 1539.27 1233.49 1440.04 1216.12 1685.47 1806.27 815.75 1402.27 836.96 1751.79 721.16 1152.38 1010.65 2170.3 3165.24 1972.21 1934.32 3566.21 1383.05 2243.39 1766.3 805.81 2324.3 2096.78 1943.96 2509.65 2404.85 2294.79 2820.2 2562.67 2257.21 DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 748.04 1549.62 985.63 1184.82 416.97 2831.86 1555.39 1903.55 1019.45 1168.93 711.58 972.89 632.04 969.02 441.89 1036.73 1045.96 519.45 800.02 353.08 597.21 855.41 616.27 879.75 770.88 953.63 587 504.94 1308.06 1073.13 369.34 1364.67 549.71 1349.62 1530.33 1648.39 1778.38 348.39 1168.05 504.73 1790.13 1907.52 782.24 2062.52 1569.58 930.91 2553.01 2150.41 539.48 1917.81 498.43 566.35 1235.2 1100.75 2711.28 2089.07 716.41 1020.28 1326.85 635.81 868.64 624.44 2412.63 401.07 1201.68 1777.14 1691.23 1786.52 2686.92 2915.19 1436.21 1598.39 534.7 1563.01 2350.34 1620.48 1744.94 1758.93 1655.28 1747.28 1739.92 1709.38 1747.53 1711.11 MAG(16:1) 2225.5 4073.52 903.83 376.81 2156.75 1025.91 795.29 994.72 1827.76 1281.93 1037.18 1329.85 422.35 1734.21 990.71 1431.56 552.87 1537.47 2036.08 2188.42 1398.62 1411.64 1259.55 432.64 598.29 535.98 507.06 1046.42 1476.4 731.48 1395.99 2129.5 1741.33 720.59 1226.16 1038.43 1022.8 2377.29 1436.33 1146.7 3455.11 793.82 2476.59 933.43 3366.65 1680.73 1243.79 2533.16 966.6 2087.19 1390.72 2180.8 1347.82 4195.09 985.3 2663.87 1004.74 1080.63 988.46 1309.83 8076.22 673.58 1736.93 1438.17 1236.76 1821.2 5357.75 1523.48 1725.68 2058.35 2350.88 941.39 1004.36 1965.58 1017.85 2310.39 2433.92 2431.06 2333 2090.01 2413.6 2429.98 2435.36 2437.93 5S,8R-DiHODE 9993.9 3171.59 4669 29837.41 181864.26 199863.79 144926.73 5292.99 1591.71 2656.85 659.54 4762.73 19995.11 7617.74 573.45 6280.69 6344.26 602.01 1540.08 278.35 786.95 268.76 467.76 257.46 358.2 541.74 2195.86 3341.87 380.81 470.73 4855.41 1750.93 195.68 4863.1 5183.81 713.79 909.06 5724.41 1477.75 1782.74 32226.2 8247.18 430.06 2510.18 2966.47 35732.42 1298.14 2030.84 1746.66 7915.95 2674.39 3372.88 1353.82 3408.89 10642.23 3158.03 3096.27 1722.11 3032.48 7408.16 1670.48 3827.47 2682.57 2391.52 1487.27 6596.86 5646.64 2854.92 2622.33 412.97 3176.9 1258.2 2414.3 2865.1 3329.78 20314.46 20415.22 22738.93 21011.63 20566.14 20965.92 19897.19 20312.91 20163.56 TG(20:0/a-15:0/10:0) 405.1 768.22 336.01 344.53 1185.14 269.66 797.79 507.74 251.27 953.77 416.61 559.67 623.15 1116.1 474.74 710.07 755.09 967.93 941.09 1420.8 706.11 1393.7 498.93 577.21 1102.52 816.63 660.14 473.15 715.19 720.68 893.05 721.64 873.27 4296.29 2228.28 1101.89 1063.66 892.4 876.47 894.19 599.69 2002.97 896.35 1486.85 2294.59 1625.22 1529.14 3404.92 604.98 1592.37 904.76 5288.13 1430.57 1152.86 1677.53 4127.85 2273.6 248.55 3037.06 1264.18 1268.78 955.02 5469.66 1895.13 1634.04 1726.77 1089.45 463.65 494.27 1935.34 1543.82 1749.46 422.04 2634.72 1632.5 1924.6 2230.79 2031.88 2219.99 2232.03 2292.68 1547.46 2254.44 2263.12 gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine 48126.96 54224.47 53152.92 49570.01 24615.35 33611.42 38798.1 64387.36 38570.55 48340.22 64947.79 34394 27918.57 49442.29 44045.94 35178.96 62439.87 71158.1 43464.1 55134.37 48801.93 48829.13 37571.27 49313.68 45014.91 45557.89 42870.93 48179.64 38105.73 49922.86 47907.3 39077.65 45022.39 59529.61 55711.56 39047.11 61054.37 49832.18 51856.99 63487.49 41144.61 55029.89 51064.32 81852.39 40565.56 45663.33 37583.8 65394.61 19797.63 29676.27 63165.8 49912.69 69564.96 41056.92 54449.46 47092.47 71740.74 77987.21 51822.04 51536.05 92320.89 95373.51 58866.73 60385.28 74856.37 48714.54 44715.43 59109.92 85019.71 41916.66 56248.57 56795.57 53238.7 35935.11 38887.53 50233.13 53591.44 53019.01 53560.28 51627.37 51586.7 53744.67 53724.86 51819.96 (3R,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 6078.5 4997.97 1856 5196.03 10309.95 575.08 2605.42 418.55 7906.75 4108.6 4444.33 4305.37 3903.5 501.75 3948.8 4916.85 1444.52 3637.32 4406.81 432.37 6243.08 2459.06 3365.91 3143.51 4780.36 7302.16 4284.57 5611.35 5807.34 4408.66 6003.76 12354.14 3516.3 5512.68 4905.27 6173.37 6046.43 4288.59 3263.42 2836.77 3379.72 7746.32 2605.63 2384.4 5394.8 4432.3 7401.96 4078.13 5073.07 9741.92 6595 3984.55 2514.82 3241.12 4684.8 4518.17 1604.83 2060.22 6406.07 3552.98 1953.13 1465.69 4288.92 3485.22 2611.87 7764.72 8323.28 3411.49 2888.7 6454.01 5618.63 4009.55 4789.51 3320.07 3918.8 5826.49 6388.61 5587.46 5753.78 5868.99 5708.69 5857.97 5862.96 5495.85 [(2S)-2-heptadecanoyloxy-3-hydroxypropyl] docosanoate 568.57 606.31 316.08 432.87 1000.28 907.84 1032.84 1288.28 399.26 1278.82 535.32 171.72 400.06 818.57 375.26 381.29 338.87 706.8 390.59 915.98 375.66 352.4 338.42 211.08 785.67 297 829.44 694.58 248.74 847.7 569.29 1425.48 171.58 984.54 518.3 216.75 460.92 852.3 749.51 437.76 402.26 1265.7 588.6 839.36 569.25 549.47 586.95 512.42 38429.29 3466.54 1871.63 2294.11 3316.52 511.87 1947.03 1197.63 986.97 1150.59 1813.54 1360.17 1229.04 1167.35 364.19 1048.72 1087.4 878.84 393.23 885.82 353.42 1575.9 1216.82 939.3 3928.18 29320.53 7978.44 2798.47 2727.1 2713.9 2275.47 2625.96 2075.12 2449.68 2725.99 2774.64 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-glucoside 16609.91 5022.23 22205.2 38920.21 11758.43 10606.09 31980.67 23051.26 19298.34 26224.26 36512.29 36160.21 25637.3 29461.58 17452.62 55863.03 32131.07 15560.05 27729 10649.39 22304.03 10643.68 30238.49 26549.72 26912.87 23642.76 51806.77 50139.73 2151.26 20222.21 15966.21 46743.9 1120.57 40984.4 39842 25638.65 24379.96 17601.47 42554.94 42997.37 19722.45 7634.99 43174.59 33904.19 18526.73 29372.1 19151.46 29073.08 1869.98 48881.23 23962.29 23111.56 46601.98 49120.58 18574.85 10335.07 5503.41 28025.12 21010.52 8177.29 5063.98 28957.73 15053.33 37476.29 25789.81 31329.32 19574.95 18773.61 17830.02 24920.79 19854.35 37307.79 34859.04 43475.9 46633.96 22152.02 20848.35 22065.63 21939.86 22861.19 21202.21 20882.89 22179.76 21745.46 Schleicherastatin 5 312.77 499.56 375.57 705.27 673.03 610.72 4689.55 937.04 1150.76 1997.56 3130.52 3369.35 3545.78 3061.98 591.41 1866.41 466.44 350.87 3916.85 362.69 634.89 681.47 2897.31 905.88 526.27 448.96 362.79 687.21 534.45 347.81 574.32 5925.55 400.3 4215.47 1318.78 482.87 591.71 1876 1948.32 3121.3 444.55 1243.49 2322.98 1714.89 408.61 3810.04 381.75 797.98 2316.45 5260 408.53 813.53 1777.02 3032.11 753.37 282.44 904.11 386.09 540.37 757.61 604.54 538.66 393.62 944.63 630.35 774.4 716.13 1353.86 2193.24 539.89 500.26 3649.64 3791.46 3235.72 4674.31 1269.17 1748.67 1474.68 1303.02 1428.17 1229.18 1311.26 1196.31 1254.85 TG(15:0/14:1(9Z)/18:1(11Z)) 1509 1483.42 3558.35 2467.79 2492 4338.57 9920.93 10136.61 2101.16 5937.71 3554.18 942.53 427.03 507.65 449.55 3907.64 1624.28 1835.43 2813.37 1625.33 2305.08 2714.32 1024.45 4881.45 654.77 473.57 529.81 830.56 3551.09 2542.07 738.19 609.06 971.41 11602.72 11527.49 7274.58 10006.19 12498.05 13895.76 15541.18 7453.3 9160.5 17210.97 11035.13 7730.89 10150.86 8381.44 13301.85 13884.75 11628.85 7241.89 9566.26 13249.35 12180.03 6035.96 8560.36 6180.54 8330.66 6283.71 4273.62 10358.46 11001.8 6801.13 13837.8 9449.66 7380.72 11160.25 14429.35 13905.71 10218.89 10453.38 16233.44 15760.78 11859.13 16638.56 9913.01 10128.77 10137.5 9629.31 10146.3 9890.8 9939.61 10867.89 9898.42 (3S,5S,8S,9S,10R,13S,17R)-3-hydroxy-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 77135.04 99384.7 72208.85 30868.11 17598.69 68481.65 67374.38 2224.91 156945.01 185749.87 60508.81 78969.5 71660.08 95291.88 45907.97 68090.24 73773.87 27610.55 57854.44 91724.39 105638.35 91832.57 78599.51 52961.14 49356.33 114324.35 127100.79 77003.4 50748.28 124418.56 99549.67 80042.33 84125.34 49059.77 58991.13 53139.23 109841.83 120147.5 98503.6 69963.14 63136.65 57541.22 136775.21 57899.97 36646.97 89141.3 46696.27 120194.69 57910.61 63310.3 84835.68 79568.06 88972.3 49031.99 50230.42 76663.31 64414.26 36062.78 33354.58 92144.18 58436.43 36878.47 42552.48 80341.23 89267.16 35388.68 104966.74 160300.21 70392.84 69692.86 119896.06 99251.25 88402.96 59600.84 56197.51 74067.41 73672.18 73751.1 74462.66 74063.93 73663.91 73849.29 74520.87 73222.91 DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 1948.94 4101.27 1184.57 3005.3 3069.79 5835.96 5378.17 4694.14 5710.38 3273.02 1759.28 3359.19 2946.74 4440.67 2435.37 1736.63 2002.84 1595.58 2042.19 2298.27 4912.12 1289.73 1389.26 1543.44 3314.13 2845.88 3286.35 3151.64 1120.26 1285.34 7370.6 5742.57 1843.58 5989.27 3830.75 5006.45 5437.92 1222.9 2112.21 4308.56 9733.3 17374.19 3459.93 2407.13 6069.91 12007.51 8907.36 7428.96 5239.79 7407.26 3645.04 5160 4272.27 1960.4 7713.77 6771.96 4044.05 2749.6 1820 2944.15 1555.92 1549.69 5272.99 3959.95 3762.87 5184.65 8240.16 2370.29 3773.77 3113.56 2142.29 7060.26 5637.84 3264.07 9916.97 7202.94 7240.22 7233.4 6731.14 7202.72 6810.68 7329.97 6884.42 6703.85 (3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 79163.6 125924.8 113006.11 86004.82 52031.2 76723.58 95881.86 80994.23 88545.01 95727.36 84848.98 69172.02 61332.3 100323.56 111008.92 104874.81 102497.72 79974.25 122939.89 123685.89 82268.31 105193.71 73538.26 120587.85 91148.93 98490.44 107506.61 97115.07 116567.16 140420.06 80111.05 81575.02 86556.45 154670.32 114186.82 120082.62 93566.79 128334.08 118327.84 119589.03 85736.03 72732.76 110278.94 112094.95 92005.4 85044.64 91340.49 97916.97 88998.77 82095.43 80197.12 101308.56 131716.29 101611.37 83638.77 103377.75 98340.8 120980.78 113435.71 106866.52 96086.68 117578.64 98605.4 111092.93 95546.8 103705.12 127766.11 120028.72 118291.12 89512.32 102862.95 120901.63 103742.95 143390.39 153109.38 96739.51 110646.13 100327.89 99898.99 97500.89 99429.83 99840.1 101298.33 97491.03 TG(15:0/14:1(9Z)/18:2(9Z,12Z)) 1677.08 1014.29 944.39 1807.63 621.62 3501.41 2552.11 5207.56 586.71 2179.36 1269.42 541.36 805.76 670.93 594.59 1688.76 1055.42 491.09 801.6 729.64 2078.11 1128.02 966.99 503.24 1786.68 1206.19 1711.13 1370.28 867.92 2457.94 1873.44 1959.93 409.17 3402.32 5171.42 4115.66 3941.71 7000.04 5976.3 5713.32 4055.51 4805.81 5471.47 6405.62 3908.66 5368.02 7622.47 11086.97 7083.46 6457.61 4833.28 4215.96 6196.83 7427.4 2145.61 4450.98 2921.82 3953.75 5822.2 3836.13 4178.99 4498 4353.2 6729.61 5499.36 3950.82 6381.7 6677.6 6377.69 7248.24 6093.58 7990.43 5584.81 5998.46 6129.4 5806.25 6539.81 5891.51 5812.88 5696.07 5587.65 5810.45 5699.85 5903.13 (2R,3R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid 8572.92 8404.37 6447.17 734.52 28358.44 3419.55 16195.55 21309.28 2152.7 15732.23 2105.41 19034.92 11741.95 7944.5 1378.24 11825.76 6635.5 2670.97 1727.17 10851.79 21115.54 1508.13 3382.06 1519.45 5208.07 4898.36 1994.39 1229.91 6252.73 9059 5101.13 2741.15 2056.07 14730.96 9127.87 19741.23 16805.49 13811.16 11077.83 14409.17 18165.12 22590.18 5330.86 6327.69 15058.65 10378.38 18564.52 17970.65 6155.16 18882.98 9882.43 2841.62 13175.03 11951.89 5887.18 5134.51 10080.6 5481.56 8832.48 3638.57 6236.38 4397.81 4352.09 11101.11 9200.31 12169.64 6980.36 8276.83 7474.67 12216.68 10662.2 14058.47 3966.78 5314.37 10803.32 12295.22 11571 12257.61 12401.19 12096.4 11373.35 11714.92 12256.37 11584.43 [(2S)-2-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 3336.79 1794.34 10097.35 4982.01 4788.63 2683.05 4392.06 2694.88 7886.38 6149.23 4532.46 4262.24 1616.74 3643.05 2689.49 4633.92 5802.77 2841.23 7946.43 3330.67 6291.33 1884.5 4715.47 7375.56 5116.48 3860.07 3688.04 3488.68 8982.46 4550.26 2791.7 5772.79 4595.87 25002.97 18880.91 22450.57 11519.35 1928.25 13120.31 3068.66 2213.43 1745.64 27166.73 2292.12 4016.9 4225.07 17273.77 29106.93 27176.7 13676.28 5663.5 27377.75 26747.47 19255.57 29861.74 10834.92 27131.09 13936.07 17471.69 746.12 16642.06 4720.82 25572.08 45099.59 22688.07 10538.89 2505 8768.43 468.03 21919.03 2110.35 7506.9 14840.9 11088.11 8950.41 16417.49 16494.7 16841.04 16670.65 13346.53 17690.33 16235.38 16127.69 16172.77 1-Hydroxyoct-4-enoylglycine 2652.1 1385.78 527.69 765.14 3868.59 1130.45 806.82 471.13 1201.27 875.15 3574.22 5927.32 5919.26 2466.02 4654.96 3422.7 2127.01 5188.03 5672.69 10733.22 1990.68 1708.05 1106.37 2647.33 7450.59 2827.18 2469.42 4644.58 6379.45 3797.11 7101.09 6894.86 2235.7 2553.39 1867.08 6279.57 2336.08 887.17 3037.59 553.29 8005.33 4822.55 1442.26 2364.94 6040.19 2499.19 3938.58 3744.19 4957.34 7176.96 2618.12 2287.33 2246.5 3700.64 3018.65 1710.65 1184.43 557.78 1535.64 589.25 1826.88 493.9 1923.69 1388.87 1266.51 3000.83 13121.22 3064.26 2561.29 2341.5 2014.26 1772.84 1191.47 832.51 2727.61 4601.56 4598.13 4488.19 4605.53 4715.18 4506.64 4487.74 4558.1 4469.91 (3S,4S,5R,10R,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde 8216.61 12760.33 15745.16 45263.26 25708.5 29273.82 28253.39 9716.48 11388.46 9627.6 35869.73 130829.73 173226.63 18983.76 39657.67 19976.73 17768.01 22620.33 114465.7 61733.2 19101.29 25081.81 19884.06 7617.96 10613.58 13533.96 16967.3 21686 16338.77 45675.35 35127.91 149615.58 8544.52 54034.45 8896.26 5103.15 4692.75 8678.84 7927.67 11147.58 15600.5 41867.26 45994.86 22843.35 11529.93 76737.69 19123.67 18013.41 19298.63 163996.9 5485.7 9383.88 11308.26 21573.72 4667.44 7940.92 7538.39 30171.36 17436.78 6291.03 13848.59 7410.63 5658.67 14140.07 7378.2 15658.98 55316.69 15610.5 15174.96 17910.67 14520.22 16876.48 30783.78 102302.16 15737.77 9693.04 8787.99 10732.34 10331.05 4676.29 9592.34 9459.91 9751.64 10274.53 Soraphen O 9790.04 9966.51 19594.59 95335.59 162223.28 100700 189109.82 16561.67 5274.3 14283.01 6468.23 9347.38 41445.5 13186.74 29420.08 21485.43 9895.76 53641.88 42488.36 5044.72 9700.74 35780.17 10248.42 9628.77 19263.5 7809.54 9028.78 9336.63 27191.78 9091.61 10349.51 41175.93 22238.61 9947.31 1684.14 33242.13 26394.44 3899.87 4442.49 1898.38 167927.89 16852.52 15008.12 6741.21 15979.64 271519.29 23090.65 25764.78 14552.81 17710.48 12731.35 27264.82 7303.69 3867.81 20342.98 25586.14 2170.93 3870.61 26524.17 2439.27 2367.87 28506.25 10875.93 16512.85 13119.31 1857.74 6929.49 3268.34 2397.73 24242.17 6180.95 8052.85 18518.67 3028.06 5045.9 16923.39 17698.08 16985.14 16655.7 16892.61 18154.23 18304.77 22296.17 16400.19 TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 4753.59 8160.87 5678.7 5905.85 12454.17 8789.56 6636.81 5442.19 11507.42 8672.17 6019.55 7149.26 4177.71 5655.02 9608.69 7864 2724.82 1804.62 5848.27 8393.88 13364.44 1433.36 4981.59 8125.47 8689.19 2127.94 5389.66 5594.62 5959.29 4229.36 6888.11 11998.34 15207.8 6035.27 6773.53 2706.77 6154.76 3265.98 6904.07 10427.85 2965.42 3170.94 5284.93 6096.74 4511.14 7387.78 4994.14 4812.04 4040.08 6676.72 1218.91 4041.45 4100.11 7510.29 1514.9 8566.67 3311.67 4228.88 3079.49 1411.69 4734.12 5367.67 7898.77 6675.54 4214.28 4224.6 14442.04 7049.19 10262.66 2863.22 5207.79 6675.33 10115.76 5597.16 5704.22 4809.18 4686.98 3713.18 4712.27 4728.29 4720.67 4616.64 4750.17 4537.19 (3S,8R,9S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,17-decahydrocyclopenta[a]phenanthren-16-one 11175.3 11393.44 1083.28 14750.61 15900.21 1012.56 4794.46 16814.59 2729.71 91009.44 14843.39 549.3 10065.29 12316.6 14767.9 26573.62 12174.74 13248.41 27223.31 18483.51 2243.33 8536.5 19674.7 17993.67 13964.88 15182.88 2212.37 15686.83 26370.47 19957.82 31237.91 10606.02 24144.35 22072.37 24517.26 24128.78 21360.15 7658.21 17294.64 23593.41 12088.74 48813.73 38342.96 11723.9 21751.39 16657.62 24276.84 54742.95 40871.06 89790.4 24681.64 20102.98 39866.04 38317.09 22438.17 23792.43 15271.35 22826.61 15451.71 8942.57 18008.62 12485.14 15341.8 29264.2 35003.07 24936.71 23644.52 23583.11 13461.68 17538.53 15845.22 14552.55 41076.09 43649.69 30340.2 23609.55 26330.87 27059.44 25367.09 25401.38 26473.98 26019.01 25893.88 26076.39 (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 43400.33 65694.88 45909.67 45720.97 21520.76 61227.59 40356.1 48669.28 50843.31 54411.97 45295.31 34262.8 31670.03 58779.76 51392.54 42901.56 61587.6 49257.55 49591.74 52623.75 46221.58 61509.28 38451.29 56468.34 54257.47 54213.73 54707.52 52261.11 49946.57 76912.67 58888.55 42239.55 50072.24 59311.92 61135.73 51368.34 52901.02 66356.47 63144.31 65447.38 49833.24 43177.2 55368.5 55736.85 50856.95 44939.89 68275.77 51652.68 43418.63 44150.53 41852.59 51986.9 50870.1 52494.92 43235.41 51995.89 58261.38 66269.4 52836.87 57398.63 53601.35 60529.28 51538.03 56386.29 49310.6 43114.22 57809.91 60577.14 58977.37 48623.87 60662.38 58956.73 55117.73 54403.91 55227.84 49162.37 49580.44 49599.92 49580.9 48323.5 49592.68 49171.21 49278.86 49077.18 TG(15:0/14:1(9Z)/16:1(9Z)) 529.03 334.98 1766.44 287.36 1497.46 649.27 1357.05 1548.67 889.07 595.98 1005.11 458.17 905.13 1489.49 986.24 1538.45 6192.54 1201.86 1516.78 1085.72 1453.26 595.79 1099.04 289.71 1007.4 2248.88 610.95 556.88 12837.7 491.72 883.14 777.68 2437.64 2568.01 1412.02 12072.79 1327.63 2053.69 6235.53 3487.43 1879.43 4012.15 1367.29 509.95 5114.41 3679.65 5671.99 2422.51 7872.33 4128.46 6777.51 1927.76 1146.82 1924.58 5880.99 2941.13 2881.78 333.52 5893.61 1784.62 448.34 606.38 3587.18 1845.97 581.22 3758.2 6897.96 4619.55 2670.9 3129.19 4187.41 1596.96 2227.01 1002.08 1301.21 2596.01 3387.96 3241.91 3211.36 3445.78 3164.11 3389.07 3246.85 3428.83 Heptacarboxylporphyrin I 974.11 872.4 777.97 622.2 195.3 914.51 1519.08 1941.43 2549.48 280.68 753.1 231.54 478.5 777.6 432.84 1155.81 575.74 796.79 1619.38 764.35 1007.74 463.62 805.61 1608.95 523.22 324.8 654.09 1345.69 402.07 1167.38 458.87 1114.43 1206.19 532.65 1590.19 1604.09 3076.14 3147.27 686.25 2677.84 1212.88 3624.94 1858.12 1167.74 440.9 660.99 7112.59 2471.47 213.36 3844.43 603.87 1057.89 184.54 903.47 2124.43 5523.06 995.48 311.13 7854.14 2401.02 1205.15 217.25 3941.91 2465.14 10105.75 1671.35 4817.02 412.05 3194.19 10130.69 11994.64 2639.37 3362.51 2698.19 2629.26 3462.78 3330.56 3214.1 3290.9 3341.25 3453.48 3458.67 3943.08 3337.82 [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate 2804.38 678.18 2263.67 453.58 6745.95 7734.02 2289.21 2889.26 3631.08 576.6 2267.7 2177.76 1616.61 12339.24 4200.96 2363.3 2460.52 2893.88 4035.43 2537.7 667.31 11821.36 1853.69 3371.88 3595.14 1956.69 4495.68 2250.87 2452.34 2455.34 6345.93 651.67 1411.48 714.15 3924.98 1964.41 2844.34 1412.85 522.34 853.85 4362.33 2378.82 1197.57 578.56 1763.63 2677.93 28930.51 1111.25 1935.99 9266.43 4380.46 1862.53 1557.36 725.84 1533.51 2349.82 1058 941.67 921 2730.58 2138.22 1041.59 4399.14 519.23 710.78 565.96 1997.13 709.35 562.41 2916.79 1277.71 1086.16 1241.47 708.85 3022.95 2685.8 2822.59 2204.34 2818.9 2676.94 2779.88 2768.59 2679.37 2809.25 [(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,10E)-12,13,15-trihydroxy-2,4,6,10-tetramethylhexadeca-2,4,6,8,10-pentaenoate 603.74 473.22 122.93 430.97 447.9 163.42 7287.49 330.66 219.01 140.85 205.09 181.26 1902.81 512.93 214.02 932.79 551.18 278.18 234.39 155.6 73.16 159.88 190.13 412.13 166.02 457.02 149.27 412.79 286.83 346.47 227.86 78.08 89.85 1139.61 204.65 276.76 132.78 1238.13 546 480.31 7545.5 1814.97 89.86 200.22 368.34 10283.67 103.69 237.41 148.73 753.62 897.68 359.35 370.5 1497.39 1223.72 417.68 1190.55 108.29 239.21 2010.55 480.56 1197.89 544.87 114.16 88.8 861.35 168.04 85.9 159.65 216.31 136.05 276.99 174.29 748.89 2335.64 3234.65 3195.72 3342.83 3289.75 3283.76 3199.36 3191.29 3066.16 3192.98 [(2S)-1-hydroxy-3-(20-methylhenicosanoyloxy)propan-2-yl] docosanoate 1943.93 1697.46 2952.87 1549.97 2834.86 3307.75 2620.61 9855.08 352.08 844.33 2570.88 1559.41 9803.33 2525.87 2172.2 1170.45 2080.9 354.48 3544.38 920.66 1955.29 1909.28 1786.86 1506.21 1542.4 573.21 498.86 1681.68 347.06 1202.09 1813.95 1040.75 1300.8 6310.84 20382.82 18089.91 9820.74 5073.92 12079.12 18202.61 5280.6 6187.47 13586.65 10178.16 11905.11 5895.11 21699.48 9054.61 14484.65 14478.86 14390.75 7559.55 10514.31 17320.01 16078.39 6908.97 8197.37 13245.47 12239.43 5369.1 7130.53 15169.9 17859.28 10289.27 20472.78 12831.23 5336.52 11648.43 11109.01 13620.44 8002.82 8041.08 21952.85 20408.66 17086.81 12168.98 12345.3 12211.69 12572.27 12353.99 12175.76 12349.78 11942.8 12349.91 (1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-ethyl-1,3,9,27-tetrahydroxy-13-methyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid 1082.4 1018.66 427.48 497.81 1496.7 2036.49 1181.46 2387.4 1823.46 1318.31 1945.88 1484.29 273.36 1375.71 395.79 1374.24 355.33 1602.7 1450.33 2364.49 1804.88 1617.98 846.3 1900.95 1385.67 1769.38 1135.86 1093.98 1693.69 1269.03 1587.81 1930.42 493.09 497.16 1388.14 349.23 1318 1085.52 1879.68 1154.61 1531.15 5236.56 1021.79 1461.96 2657.33 1629.24 1254.66 1291 1694.37 507.34 3051.39 1770.96 1000.48 1401.06 585 1261.94 1137.55 1085.4 953.31 961.65 2094.11 1083.76 629.93 1313.54 927.69 269.37 772.79 1564.99 638.41 1316.63 1262.66 1159.95 638.52 675.39 2858.32 2309.78 2684.93 2590.43 2624.54 1996.63 2220.5 2588.74 3022.15 2538.97 TG(21:0/i-15:0/8:0) 89406.42 95133.55 89825.17 82917.27 27221.19 58271.05 66963.3 79607.26 79802.04 38369.44 2240.67 61769.03 2252.19 80543.62 92184.65 525.5 88471.01 65346.75 79298.75 88072.38 61616.8 68944.56 59002.16 107773.72 96428.72 90557.97 89235.7 108710.02 100665.71 73799.59 77408.43 892.17 62983.4 33194.8 177274.25 129781.93 71435.35 37424.35 163721.28 113203.42 42261.14 50086.35 95363.62 109514.72 106563.09 76252.69 145648.71 51140.2 143340.85 96989.21 128322.13 41429.79 64953.03 118441.53 105288.35 64674.06 77061.83 121914.27 95982.79 40250.55 52572.27 101757.96 128865.78 38860.22 93953.46 114731.68 66206.44 165205.71 93961.17 107180.57 92110.66 72120.48 114273.12 117017.32 133403.09 105044.9 97098.46 103062.78 100338 100486.52 101136.13 100429.31 103559.72 104147.16 1-Hydroxy-1-phenyl-3-octadecanone 6877.01 7215.82 8387.5 14639.64 13287.6 6622.15 9373.98 19289.13 12611.24 11481.36 10052.72 7044.13 6204.93 11111.55 9279.71 10859.37 7950.32 12989.67 5591.77 1331.73 25993.94 8974.53 6608.12 18619.86 19465.21 10064.89 3420.1 7127 36270.15 20638.75 7180.91 24958.01 18044.97 12398.76 18170.81 18327.9 4543.54 9153.62 9258.85 10849.24 11806.79 6491.72 9680.42 4774 10107.44 7538.69 20368.47 10513.09 10860.82 15508.83 4429.6 14658.5 23013.98 21044.21 16364.62 3438.57 6999.56 8587.58 16670.33 8821.54 9043.93 5988.91 17691.09 45277.3 21534.22 13358.6 12425.81 4677.65 8149.46 6346.74 4352.75 3462.26 15781.49 16362.07 11970.33 14402.41 14644.24 14534.54 14707.32 14042.15 14421.35 14603.45 15484.06 14692.77 (3S,5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 936.86 1172.29 845.88 755.19 2384.63 2597.72 868.19 1649.74 834.93 379.05 1106.04 1613.17 1731.93 1295.22 411.77 1265.54 1042.13 1315.03 1372.15 1778.97 3167.08 1831.9 1354.06 367.94 1246.28 1139.19 374.57 952.33 2044.4 1814.41 1759.27 2693.67 514.67 1281.32 829.25 1205.26 558.28 1057.78 1105.2 739.74 831.13 1677.51 453.63 403.9 2117.23 1116.1 2111.28 1393.91 1711.93 3538.75 1154.17 1309.17 595.89 634.76 1246.31 1302.48 786.57 680.98 1194.87 875.91 421.41 384.63 939.54 583.35 750.32 1399.16 2682.61 666.59 938.55 1123.37 1504.71 835.42 801 956.53 997.23 1623.56 1541.2 1653.21 1776.41 1652.39 1652.86 1605.48 1644.75 1652.73 1-Stearoyl-2-palmitoyl-sn-glycerol 10330.78 19636.21 5610.04 13294.31 8972.39 20479.28 8261 23961.68 23182.9 23493.05 9578.95 11080.08 1638.45 7930.73 10327 13352.02 11019.55 7112.61 8316.56 4616.42 7227.55 7281.78 7644.76 11560.13 6086.18 15842.91 14684.44 589.46 9670.26 10054.94 8492.41 9517.75 5967.59 12671.39 20394.92 18496.98 36478.48 47719.25 23193.92 44480.23 26940.58 12062.11 21388.08 26957.72 14130.46 9724.36 30330.07 29572.72 12193.09 16760.37 19318.12 26869.6 17867.51 12826.26 15761.95 30444.68 23323.03 33710.98 41507.85 58570.88 32491.93 20799.58 25876.94 26631.55 41099.21 14010.53 27246.26 13823.6 26301.81 31670.49 47686.84 35101.19 36574.37 26844.64 26982.87 22504.04 22299.96 23130.13 22435.62 22302.35 22343.14 22592.02 22594.08 22296.08 2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione 4860.35 215.14 2941.36 25654.11 200.79 6121.77 2622.82 253.54 1329.92 2531.79 2757.91 1110.17 6298.3 2467.6 2297.62 18137.7 2006.21 3372.11 1872.81 629.07 1938.23 2197.42 2552.09 1357.33 2469.89 1979.78 1978.87 1899.57 1976.53 3644.95 2173.02 19788.36 2386.71 3031.92 7436.13 1379.54 1577.06 1527.21 1426.68 669.44 10936.7 13232.7 1540.64 322.51 489.42 122377.71 1813.85 1475.46 1096.06 5050.57 830.36 1343.16 1407.01 3266.83 1436.7 1449.11 150.6 519.65 1592.19 1182.14 1575.29 731.59 1646.3 1274.74 2518.48 14272.9 1289.94 155.05 2017.59 1356.08 1137.9 375.05 288.62 12929.41 5714.4 6697.44 6877.43 6857.91 6929.55 6877.89 6794.79 6877.43 6878.01 6878.21 (5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 37629.82 8887.14 24610.74 36882.92 57846.51 31238.19 23290.94 29176.69 33896.05 25513.97 19932.87 24503.2 31976.08 28040.61 32197.7 23538.32 21501.91 28387.62 29230.92 23900.67 30759.69 7656.29 22582.65 38202.34 44588.44 28399.38 23906.56 35174.81 41955.72 31928.81 2944.33 39563.9 17717.05 41700.76 37068.3 41793.11 38757.08 33943.15 45809.34 50579 32060.47 45614.48 15911.42 26542.56 35585.86 13221.01 24241.71 20756.34 23020.9 47358.42 33421.53 26865.75 25086.57 26501.73 29115.19 39292.34 18900.84 23685.16 26433.09 7943.89 27616.47 33032.42 42392.16 27082.77 28545.88 41019.4 21963.97 29793.07 19562.58 26895.95 29866.26 23273.84 25906.85 40285.78 37706.96 26997 27601.53 27346.41 26962.19 27843.59 26940.43 27351.63 25647.38 26946.98 (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol 3050.16 28009.98 50596.82 20554.16 22919.63 2338.44 17904.9 23190.99 20191.26 1613.14 11496.51 5158.65 4910.5 2649.53 2054.24 45262.94 14175.58 1136.66 55724.86 16100.73 20050.94 2593.95 35522.78 21212.01 24506.52 2274.42 1485.14 8717.21 33372.5 20676.61 2420.9 22421.72 20076.8 27494.27 15260.55 22489.82 20701.68 965.37 8489.25 5140.98 7789.65 20039.58 21312.2 2242.8 7000.13 15570.26 16636.81 27749.05 42895.52 17726.34 6200.74 26176.34 23290.55 3888.06 25856.41 13395.08 24348.87 15536.33 17924.57 6136.07 18347.89 5558.6 28543.99 45502.35 19938.38 11129.19 5310.33 9698.96 684.7 22667.7 7366.9 14091.92 44815.5 19336.25 9993.32 18681.27 18518.82 18676.65 18445.61 18523.02 18673.09 17168.93 18303.6 18684.88 3-Hydroxy-1-phenyl-1-octadecanone 5371.88 4264.91 6170.13 7259.76 8797.59 2069.56 3179.59 8410.03 10748.63 6341.62 4597.62 5204.74 2137.93 5014.98 7009.31 8857.44 3767.09 6248.95 8095.09 11689.86 11270.84 5991.86 4513.23 4557.38 7372.44 4529.3 4094.54 5112.4 12548.49 6438.18 7179.9 11215.44 7337.23 5634.84 7397.77 7821.15 9180.91 2243.32 5021.51 3531.97 6513.15 6858.2 9923.79 515.33 6611.26 4810.48 9436.9 7326.9 3421.63 7172.52 1172.97 6750.17 7604.49 4622.82 7467.79 9952.97 3409.71 3950.01 7311.59 1973.83 3888.58 1244.59 7914.89 13157.7 5784.61 5018.74 3437.52 2457.74 5062.04 8367.32 7224.3 3210.69 8477.12 4289.57 6010.64 5805.91 3365.73 8294.4 10579.72 7947.14 10303.01 13220.03 20905.97 14082.97 6673.36 17359.55 13975.54 12322.21 12942.51 6362.94 8580.2 10802.2 6994.33 12345.09 11456.6 9378.34 12018.97 26518.58 14488.53 13739.43 8387.58 8378.84 8749.22 9303.38 8381.78 8394.19 8389.68 8802.58 8594.37 DG(22:0/20:4(5Z,8Z,11Z,14Z)/0:0) 493.49 418.29 2077.21 467.26 4790.83 2170.68 384.87 1671.94 2863.48 408.47 8669.81 2121.25 6131.05 2011.57 2379.07 2112.41 1926.1 2031.74 1702.29 523.25 2450.62 1913 1713.89 1008 2255.74 1855.4 789.5 10623.94 3152.57 1205.95 397.27 5902.8 397.01 2875.78 931.09 2021.14 1104.6 642.06 1266.87 1091.52 2806.87 4847.51 1890.4 1135.67 3941.8 3468.09 3385.52 3061.45 1583.04 4915.5 1619.07 1127.61 1511.46 2888.3 2905.72 3227.13 632.22 1189.77 1264.04 602.07 969.85 1090.31 2250.81 2270.13 948.38 2688.65 4033.78 756.74 1990.72 2007.44 1076.51 2037.51 2110.66 3444.64 3173.87 2400.83 2707.42 2737.95 2791.01 2699.8 2771.46 2711.87 2818.34 2773.44 TG(16:0/20:1(11Z)/16:1(9Z)) 3059.42 914.03 667.8 350.01 377.77 311.82 1455.31 617.66 956.36 1538.08 560.26 2521.27 814 321.37 1266.48 500.67 1247.78 717.1 376.82 1409.26 506.23 660.21 323.12 712.81 1375.81 848.69 933.69 881.06 365.35 867.72 1299.52 474.43 513.28 528.82 2015.75 347.24 3560.78 618.85 2731.97 3475.18 837.98 5077.16 3978.19 3035.95 758.55 4400.31 1397.2 5971.29 3965.86 8787.58 5179.47 2844.93 4573.35 8610.68 4192.21 717.78 1345.03 263.92 2567.94 472.52 1494.33 3223.45 2526.08 1096.86 3139.34 4864.77 3626.64 2457.55 1973.27 2218.38 738.81 421.3 9513.57 2254.18 3940.25 2928.51 2854.5 2850.92 2855.52 2767.66 2924.81 2857.81 3013.53 2928.64 (3S,3'S)-5,5',6,6'-Tetrahydro-5,6:5',6'-bisepoxy-beta,beta-carotene-3,3'-diol 568.14 525.29 752.91 392.29 1041.37 1406.38 510.21 460.26 552.69 517.68 342.72 711.78 1248.99 964.93 341.52 1006.12 597.73 1197.67 1307.14 1336.2 1378.71 1225.46 393.12 518.15 762.77 819.82 670.86 523.02 676.2 477.81 1077.08 1711.63 1195.96 837.01 367.38 829.13 751.3 1007.5 512.06 791.91 2069.49 1693.81 693.17 742.36 1124.59 854.05 1070.59 835.08 1026.17 2313.52 913.19 1457.39 752.16 696.92 802.17 1115.04 596.39 417.07 1100.59 622.57 560 423.16 730.62 688.95 650.66 979.71 1846.32 644.3 690.9 535.83 957.05 748.59 493.41 982.93 956.57 1232.17 1217.53 1396.94 1125.21 1256.8 1250.46 1263.81 1250.73 1214.79 [4-Hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-sulooxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium 1348.86 2636.79 2764.21 2540.23 1546.14 1498.77 745.76 2121.13 2342.26 1405.28 1346.96 2161.38 1636.28 612.38 696.38 883.61 981.63 662.04 1543.78 2154.02 1287.29 1311.49 1170.16 1833.75 868.73 3743.92 4817.54 910.47 2319.3 1703.63 2222.27 1851.83 2229.91 699.62 1655.17 1140.78 3178.07 1203.77 917.35 4811.38 902.41 2228.76 816.56 1659.42 1324.84 1331.24 3798.04 3123.91 1000.44 1916.68 1106.19 2786.24 802.49 2232.58 3360.41 2802.95 3668.3 2735.07 1355.21 1550.53 1554.28 1848.78 3607.66 4513.45 1807.13 4057.56 913.6 2838.05 2038.99 2119.37 1879.26 3059.99 2420.34 1627.48 3007.08 1465.62 1497.02 1501.11 1156.16 1522.15 1519.83 1403.83 1405.35 1501.67 Cyclopassifloside X 941.06 1186.33 539.1 273.49 1770.75 1879.68 3652.43 1588.17 1209.09 1696.64 567.44 352.49 1084.05 558.19 645.12 1219.08 270.69 889.88 2337.97 3821.49 1356.62 307.57 976.15 960.54 753.39 631.43 390.75 413.83 1021.14 889.79 1714.21 1493.67 1270.7 3834.71 2447.91 1273.27 2343.92 3447.76 2437.55 2582.3 3128.15 2116.2 2248.16 4169.41 2344.3 3753.58 1001.85 4562.63 1830.78 6441.33 3798.26 2846.53 1891.71 4651.16 2448.67 2507.59 3928.46 1947.45 1334.85 2949.33 1628.71 1200.64 1804.14 3460.67 1829.59 3552.52 6205.59 1690.24 2876.74 3954.36 1902.72 2089.26 2879.37 3027.19 1340.16 4336.11 4258.07 4341.3 4234.81 4604.9 4236.45 4268.57 4338.18 3938.98 (5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 41093.48 47121.78 37859.06 35561.47 8425.03 28882.55 52620.19 3722.86 6379 49828.06 34938.59 74959.19 54553.12 43370.27 24246.43 41339.26 42881.54 24124.94 25993.21 19579.12 33778.78 47183.87 28580.32 90185.21 3458.99 29121.23 73974.72 44805.28 38228.41 95249.31 46058.43 41708.75 21768.5 56288.84 69612.57 75576.61 7975.15 52680.94 49389.02 71215.39 3569.29 50645.57 69708.36 41839.85 26105.37 38755.51 50460.26 64348.62 45026.45 53644.1 35298.6 30887.25 64944.02 72629.27 30025.18 23646.81 19552.76 34896.84 28944.1 17745.9 29804.27 39302.59 25707.24 124402.11 41556.1 21790.89 56869.54 71416.9 79478.12 10606 23039.3 40034.17 88682.93 77736.12 53075 6387.84 7212.84 4022.09 7347.34 7054.05 6511.71 7574.88 7059.2 8513.51 2-{[2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-14,14-dimethyl-6-(2-methylbut-3-en-2-yl)-9-[(2-methylbut-3-en-2-yl)oxy]-4,12,15-trioxatetracyclo[8.5.0.0(3),.0(1)(1),(1)(3)]]pentadeca-1(10),2,6,8-tetraen-5-one 587 284.14 437.02 580.35 1071.54 1366.47 2304.81 584.72 510.98 736.39 807.53 491.75 600.05 467.67 272.07 211.29 1214.23 118.17 288.91 406.93 571 387.95 209.05 315.87 343.42 601.88 491.41 534.67 286.85 367.01 180.9 395.23 307.11 248.15 539.46 676.15 162.5 278.28 599.75 4846.3 2714.33 3274.11 579.33 292.16 660.61 4579.67 180.64 663.51 570.74 384.43 3136.06 378.49 474.64 931.01 5432.87 164.17 505.64 223.89 803.47 527.7 527.84 247.29 1181.31 132.54 568.95 1947.75 543.32 334.4 188.71 466.82 189.43 453.53 273 423.39 487.68 2346.8 1885.13 2346.37 2358.82 2234.67 2372.5 2362.23 2250.51 2319.67 Lysyl-Asparagine 1079.14 521.78 725.58 836.02 400.88 540.18 1603.23 5647.16 4942 2757.23 4345.69 4830.58 1243.67 883.77 3783.51 413.75 420.75 3227.96 3024.9 1346.89 3644.7 1334.86 1073.78 1483.78 1022.22 461.8 1211.61 1961.53 1136.57 302.47 362.43 522.22 589.81 1553.72 1355.35 1259.36 892.75 868.68 1076.22 4103.73 1232.42 1961.35 1020.19 1313.29 2693 2436.53 7528.8 1484.25 519.94 1429.41 2331.33 965.09 2319.06 4865.6 653.46 1436.97 1225.65 1361.6 1545.35 1503.96 530.57 429.2 2437.24 4360.7 2820.15 2032.75 1149.9 1584.82 1151 3767.85 1801.36 932.4 4562.12 5543.01 2027.36 2582.55 2421.02 2623.06 2599.21 2456.37 1316.93 2398.41 2216.91 2383.35 (2S)-2-azaniumyl-4-sulfanylbutanoate 1179.23 796.41 2306.64 4133.4 2329.79 928.48 2844.93 1727.42 1810.65 1801.15 1739.91 2491.83 2787.25 2932.51 484.82 2365.56 2087.05 1181.86 3744.84 445.71 1567.7 2310.79 1355.59 1782.59 1364.28 610.73 2803.29 2692.98 1517.53 1982.48 724.18 3745.48 815.69 1338.3 3342.81 1325.95 1519.88 1901.99 3287.6 3042.67 1512.63 1130.77 2117.91 3776.95 1782.99 7106.14 862.19 1795.68 2267.8 1222.97 754.19 922.29 2546.83 3741.71 2906.71 1254.19 4070.5 3079.54 638.19 1999.09 2540.58 2843.68 946.77 3489.69 1887.08 2033.28 925.62 2387.21 2382.16 474.84 1407.89 3053.81 3023.72 3712.51 4623.69 2699.99 2912.62 2716.69 2705.35 2779.99 2158.38 2798.38 2702.83 2793.02 25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] 419.94 250.38 16330.12 48.7 1148.55 48.7 1663.44 48.7 48.7 631.28 1549.26 48.7 48.7 417.25 21041.81 24810.28 93275.56 48.71 1975.27 45.39 464.99 48.7 840.72 48.7 48.7 48.7 1186.75 626.76 3358.97 1571.26 1814.78 8140.73 126337.41 48.7 3512.29 1756.69 7768.41 48.71 1419.79 20850.43 1882.22 2036.56 3799.62 4310.99 7167.84 783.17 5728.97 6460.78 4597.29 3690.37 1611.08 71.24 3853.65 18325.78 48.71 4632.13 1854.6 302.05 8184.11 1065.26 1401.45 437.77 51.58 1762.42 4528.76 615.95 2752.44 722.44 3461.74 7484.33 6593.97 48.7 6262.17 10079.72 2364.65 3819.1 3622.27 4046.96 3824.36 3837.16 3858.82 3416.21 3883.45 3918.91 (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 4564.13 3872 2422.74 5339.76 15116.78 10631.43 1974.9 2888.51 2821.26 3893.34 922.03 6892.58 13659.03 11453.92 2435.29 2032.95 5458.97 7192.43 12835.7 12048.63 2690.64 2836 1494.31 2119.86 5216.69 2731.41 1361.75 4053.36 484.55 472.83 10920.5 25463.08 4421.59 8142.07 4048.3 4680.78 3019.53 5824.22 6792.03 6736.81 12602.63 19121.47 1992.36 3613.04 13400.51 12421.32 946.63 3276.99 4124.62 16381.12 6975.69 3798.47 4109.66 3406.5 6427.18 9856.8 7933.4 2862.61 4441.36 1648.84 4212.89 403.51 5286.67 3525.74 2434.73 3098.07 4919.45 1614.74 2984.54 4796.32 3422.78 4225.22 441.48 6901.73 1402.23 5180.88 19884.5 7740.83 6337.47 4761.51 6622.5 7727.86 14112.94 3222.48 2573.3 3756.12 4198.51 8389.88 8273.57 6279.76 32168.63 13597.56 9715.47 7450.99 10897.2 19099.18 5306.65 8887.79 16035.96 12007.68 8642.91 9423.17 8608.45 7713.42 8576.73 8923.64 8725.97 8894.41 8947.39 (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione 458.22 320.13 331.08 431.85 917.23 764.19 798.76 853.29 211.14 470 460.75 2380.14 1955.75 4068.79 330.1 5028.35 1210.52 214.86 326.58 421.96 166.94 424.4 1125.97 988.96 209.28 524.46 469.84 268.14 277.23 322.66 866.47 5177.67 372.83 488.56 1433.02 867.68 259.36 2336.9 496.46 1996.96 1383.47 4991.44 1753.85 784.53 797.34 3816.72 2268.06 3665.93 2174.23 6491.66 747.47 3535.7 1964.01 2779.85 274.56 3570.19 249.08 877.07 170.78 370.06 495.97 803.48 906.72 488.95 1239.11 2516.87 5289.27 2243.89 2075.32 841.76 2890.49 2303.58 1951.68 3642.73 1793.47 3169.56 3458.82 3220.55 3437.79 3221.1 4159.79 3431.7 3473.32 2780.31 DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0) 2146.43 2711.97 1965.5 2367.89 4650.75 5377.02 1469.99 1080.32 2226.73 1943.93 988.61 2277.97 1775.1 3014.71 4870.86 2752.71 6876.71 5515.23 3532.42 11408.72 2395.22 2720.22 8821.47 9809.35 2404.2 2935.63 507.59 2779.49 2752.07 8179.05 5898.29 5864.83 3839.59 1720.72 3340.46 1131.35 976.11 3100.74 594.72 3486.76 6776.76 3665.07 1733.19 1615.44 5130.83 5282.86 2685.94 3420.98 2899.64 8899.21 6989.76 2094 1125.33 5493.47 6068.43 3116.94 1140.5 2152.45 512.75 3119.87 687.63 2838.06 1712.28 1501.72 988.13 917.58 6616.67 1554.98 8992.19 3876.44 6141.36 1725.8 3136.87 10439.5 2116.72 4378.52 4373.06 4259.43 5206.92 4203.49 4128.11 4139.42 4363.79 4132.03 2-[(E)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-enyl]-3-methylnaphthalene-1,4-dione 8349 10691.54 7470.43 13254.32 11583.88 30347.29 86142.31 21425.59 24390.3 35487.49 71491.15 64371.66 81971.5 47933.49 11724.55 61020.56 15764.22 9975.49 57215.25 10198.84 15504.23 20810.02 46277.89 25808.01 11609.91 7647.24 24927.03 15977.69 8420.95 30876.05 10398.4 87860.11 10331.53 58731.79 33037.01 6843.36 12542.87 27032.99 42885.11 55836.35 21710.06 29204.36 48485.9 32515.43 19380.63 58165.2 12332.52 26970.04 36980.21 86833.54 7273.98 8874.23 33085.36 45769.41 10433.53 6500.09 12285.27 13604.57 6186.46 4943.22 12644.02 19365.58 5782.97 33374.63 12127.07 8245.02 16666.56 32541.56 39263.17 7849.83 14275.93 43666.2 65009.2 51234.45 63514.85 25665.18 26756.99 27787.63 25640.79 26238.4 26249.14 25439.13 22058.86 25443.51 (1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2S)-2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid 6813.75 2262.73 678.93 2014.62 28677.43 38597.2 494.19 38963.1 32908.23 27548.07 11496.22 25325.37 2310.6 24118.33 31443.45 16879.27 11536.89 71928.73 119343.32 35542.91 45212.8 21428.5 15985.14 22089.47 63401.19 28771.07 7312.76 19015.49 60191.12 56787.34 1759.28 181689.97 20794.68 10388.71 7826.17 61063.5 51354.19 14615.29 7750.16 4085.57 17949.64 79120.18 25196.4 9797.7 89261.43 9964.4 31957.59 44990.34 68161.52 50249.47 53972.56 38395.61 20057.86 3541.92 30315.38 12496.13 4066.74 1493.72 45680 11437.96 4003.91 4954.29 34070.23 23486.91 18323.96 39581.14 35330.56 19364.65 12023.43 48646.11 13491.24 24923.31 22700.8 17417.91 3794.96 26266.28 25476.32 26580.98 27302.04 26144.71 26144.73 26565.71 26117.71 26564.75 [(1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetate 618.12 6370.76 7360.54 6235.91 4421.79 3875.24 7480.85 1801.79 10424.56 5783.97 6641.78 5597.1 3929.8 4997.48 5424.65 3996.02 5212.36 5618.59 1558.04 5066.47 6996.74 7591.95 3839.78 5879.57 5166.4 6972.42 2413.61 6452.52 841.65 5653.25 6966.33 5343.34 602.01 4855.49 8344.51 5158.18 4973.15 6101.11 5759.99 5455.39 5306.62 7549.71 5081.5 5602.49 3714.98 7426.49 5820.45 5078.41 3414.53 6156.45 5797.22 9346.26 6111.1 5548.44 6932.94 7133.05 5107.94 7456.57 5862.66 5669.96 5415.62 4534 7435.04 6038.96 8275.99 4363.48 4511.67 5001.42 4983.83 5188.61 7352.96 6237.48 2779.75 2810.85 5154.84 118361.73 105395.01 315699.67 955534.93 303685.83 147842.64 276276.05 119945.91 97628.16 223148.88 96249.99 112115.32 182455.03 126085.07 156718.94 112282.73 200162.2 450570.85 132401.45 219264.08 273465.76 298339.53 347886.59 249921.49 168379.42 5990.48 5918.32 6219.34 5903.54 4574.3 5937.85 6117.97 7527.4 5899.16 DG(18:2(9Z,12Z)/18:1(11Z)/0:0) 590.27 7431.54 5051.24 9268.27 16235.21 18134.9 6999.45 9165.65 10312.19 4719.67 9421.21 13865.44 23059.84 16801.85 18665.29 18527.77 18285.12 26799.11 14072.1 51440.48 19193.91 21473.56 5545.68 6536.71 5773.44 10749.73 4774.32 3820.03 9797.94 6999.8 13326.96 15656.69 10072.37 8572.49 11999.6 10831.29 9089.45 3007.51 1391.58 10009.24 12742.19 11303.26 13419.94 9577.12 11939.52 3622.17 11935.16 11656.8 11079.51 25022.74 9112.39 14131.83 15610.1 15364.49 12547.08 15531.52 7059.09 5804.08 4740.49 8887.4 8240.51 2220.13 8781.65 8126.11 4515.01 12693.3 10370.61 5656.54 10030.8 4726.44 5917.66 4137.45 7072.04 13565.02 16410.12 29254.53 68326.52 40556.58 27955.43 21114.58 30272.9 29910.54 99521.46 83455.41 29423.33 24083.37 68340.89 43997.1 84493.06 27890.81 48334.84 36082.35 48971.04 26583.45 53060.99 69232.79 18791.51 11575.85 11727.15 11968.41 11717.64 11716.06 12666.52 11741.46 12111.7 12047.47 1-g-Linolenoyl-3-stearidonoyl-sn-glycerol 1560.79 2420.85 1452.49 5269.2 3698.88 32740.91 24593.71 1701.64 1566.87 1487.69 1076.21 1527.67 13407.81 1991.3 2123.28 3550.76 2667.19 2724.23 2337.3 2987.03 1803.4 6015.38 1305.77 1200.31 1302.41 3157.15 2523.96 1600.28 2352.19 3395.65 2229.99 5720.24 1423.77 7172.43 1139.26 735.72 804.47 532.57 895.15 666.8 6315.37 2475.08 483.23 748 1557.98 41423.48 1176.86 1160.93 760.7 5947.12 470.93 916.94 840.87 3438.62 1523.35 1540.74 1170.61 894.21 1050.5 6222.03 889.94 3361.78 1006.21 628.08 1126.61 1236.22 2548.92 560.09 866.82 1448.83 493.83 1143.05 781.03 6517.02 42344.58 4813.42 5110.54 5453.47 5104.74 5106.95 4982.33 5367.33 6112.89 5115.5 [(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[(2S)-2-[3-(2-isopropyl-4-thiazolylmethyl)ureido]-3-methylbutyryl]amino]-5-phenylpentyl]carbamic acid 5-thiazolylmethyl ester 6085.06 6113 5439.41 6188.61 14747.87 9148.96 9621.16 12085.24 6783.48 6849.51 10543.58 4738.66 452.45 5807.11 6325 5819.01 6060.67 429.56 5863.14 7306.15 7492.22 599.47 4844.95 4709.53 697.15 6581.93 5148.42 5587.31 5217.96 451.76 6616.6 7155.64 5155.26 8076.5 4836.79 5250.77 7209.24 5726.4 4090.58 4844.94 12649.75 7649.39 5487.2 5521.74 6624.2 6186.53 6494.76 5854.58 4609.91 8177.26 6090.2 7463.61 6014.42 4766.3 6598.83 5634.55 4505.23 6036.67 7070.45 4597.65 5668.31 6120.23 7320.6 6369.85 5827.94 6940.8 6236.08 5718.97 6130.04 9665.15 10077.92 6035.74 5594.81 6511.36 5779.31 3756.33 5597.44 4019.49 3770.74 3809.1 4215.94 4636.55 3371.48 3864.38 3482.79 3515.41 3965.24 3398.93 3880.33 3350.36 5417.73 2888.2 3986.74 3179.82 3064.19 3120.77 3291.16 3411.48 3579.74 3496.17 7466.95 7464.73 7255.96 7231.49 7431.48 7133.08 7482.22 7836.65 6376.28 TG(i-24:0/14:0/10:0) 6729.08 8141.6 1007.06 1495.25 1687.11 8147.96 14102.56 18137.42 21106.5 386.46 2191.45 10768.85 16909.65 10289.25 2303.63 2416.17 2653.83 8043.22 4058.3 6413.82 6501.47 10465.17 2497.26 1217.06 18277.04 10154.49 1200.37 2933.11 1971.5 1386.88 7142.14 13280.81 989.4 23871.96 24130.89 17370.84 7870.33 12723.6 11563.56 13670.01 11993.49 10725.1 22916.04 23863.73 15150.25 17115.79 17391.93 14298.15 10199.67 18160.86 2955.66 13542.65 29734.27 23339.08 10822.19 23733.84 32968.7 28645.87 28909.72 18814.3 17350.25 11372.41 16952.82 34085.25 21962.47 18027.98 20015.77 13252.42 8182.18 14136.3 17209.81 22270.49 19314.52 60355.13 34620.45 18947.2 17699.44 18546.28 18525.46 18537.74 18946.13 18550.15 18548.21 18975.1 5,14-bis(acetyloxy)-15-hydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-13-yl acetate 8458.27 7728.48 3920.66 5405.32 6882.07 8398.55 6945.66 8677.11 7925.38 8787.89 5585.73 6381.77 6138.46 7432.33 8624.44 8258.38 8096.84 7345.66 7682.2 6505.21 7935.94 6306.86 4004.93 6307.16 8305.36 7610.63 6521.15 7990.6 7498.71 8612.81 7860.47 8545.38 7042.62 5693.92 5564.36 8775.43 8570.96 7865.97 7499.88 9436.17 9629.77 9571.31 7208.63 6727.87 8432.32 7484.86 8024.72 8041.67 8036 7626.2 8797.54 6670.61 5312.33 6903.91 8531.25 6587.22 3558.9 3992.08 8766.15 5120.81 5213.67 4910.66 7528.65 6967.57 8058.38 8048.86 8096.17 8389.63 9561.46 7515.75 8450.38 8314.11 8328.02 6900.92 9459.52 8187.21 8017.21 8138.6 8131.53 8139.52 7988.02 7981.78 7881.6 7988.17 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid 31580.69 1657.23 1169.06 10611.33 58723.63 33859.4 16924.31 31543.38 24495.23 11576.37 17588.55 18692.42 2338.04 14361.37 34090.18 25868.12 12701.62 16856.61 23671.56 34120.88 23604.55 13958.02 2312.2 9911.58 3262.78 23415.87 4926.04 6792.93 26250.4 2241.56 19441.46 27421.17 13913.12 9608.1 5094.38 5712.11 32506.91 11942.81 1678.98 14405.01 21239.5 37959.67 7275.38 10089.72 8863.2 15054.33 26210.48 13849.33 11662.97 40509.42 32492.2 18869.72 10009.3 22787 32221.06 13516.66 716.64 5871.16 21383.35 10769.49 4593.57 4497.86 29309.59 2780.99 9822.97 32084.88 24321.19 2764.71 9334.96 27608.5 29955.42 16808.59 17702.52 17912.53 9387.77 17681.06 18821.26 17784.15 18197.16 18215.08 18223.58 17720.82 18225.23 17233.1 6-({4-[(3,3-dimethyloxiran-2-yl)methyl]-5-hydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 583.81 340.77 3960.81 2253.35 1367.1 1771.19 582.81 709.3 733.25 901.73 1472.09 1228.34 1884.65 1254.14 1798.4 1615.91 1607.51 1349.64 542 1768.4 755.75 1146.41 1875.34 1242.4 1959.23 437.51 758.11 1132.26 6666.86 446.43 1777.3 1599.68 1483.29 1438.63 12071.54 695.36 4435.42 1090.09 1048.18 4335.74 890.65 2855.28 1007.85 2071.09 4098.24 5813.88 6030.28 6646.8 3444.46 3440.9 7963.34 3198.68 935.63 3968.66 3094.56 1447.02 1869.79 2584.23 4861.95 2320.86 1802.08 2274.03 2127.45 1591.89 1284.78 3778.68 843.36 1376.7 864.41 2134.12 2393.19 2534.83 1923.17 4571.84 2378.77 2821.2 1897.16 2753 2753.09 2661.58 2715.72 2594.09 2580.27 2666.59 Torvoside F 2806.24 248.68 453.56 217.41 383.83 640.3 203.99 11942.19 5598.49 306.09 578.16 429.48 2695.23 1328.71 205.95 189.21 852.95 1580.33 945.86 649.86 2554.22 1152.02 546.99 1052.2 208.82 747.9 579.59 1215.05 860.93 763.29 732.66 4823.82 293.11 1683.01 985.83 5197.69 5832.01 1080.59 627.03 482.92 1908.26 11185.95 2101.54 1515.76 14360.72 3216.04 5829.3 4173.63 10753.52 22124.98 8286.84 3807.46 3081.36 1230.79 7528.98 4273.44 552.93 127.04 14071.48 1732 1714.59 1028.39 8610.38 3323.71 2811.83 7290.61 4117.42 1655.73 2195.4 6975.3 5306.2 4897.89 4722.48 520.66 1386.17 7753.62 8214.34 7805.65 7754.24 8133.28 7759.85 7880.86 8083.51 8130.85 (1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-(3,4-dihydroxybenzoyl)oxy-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 34813.82 46523.81 25470.47 37931.48 40814.2 42493.23 29529.69 20225.23 23271.04 28000.38 21847.13 30388.08 42405.22 39305.78 27783.62 30918.38 29532.45 36675.3 34940.03 41014.81 30593.98 39332.99 32024.5 20192.63 25610.97 46727.93 25925.25 30735.69 41578.98 47158.74 36526.02 44999.5 47270.73 44250.41 28381.69 39681.49 35647.37 53436.78 29188 34563.17 38065.75 35157.74 23288.08 26063.72 30893.82 9363.43 31682 29943.07 33114.61 43107.28 31234.07 34402.01 22883.05 29498.66 24447.83 29361.99 26391.35 17438.33 23287.73 26344.52 26754.9 21451.16 24429.62 26184.14 19070.42 25797.11 35175.99 21838.13 22482.61 22657.76 23556.34 23970.67 20213.65 30033.27 28229.9 31354.81 31348.08 31896.43 31064.95 31351.21 31095.68 31308.46 31346.56 30484.65 1-Arachidonoyl-3-docosahexaenoyl-sn-glycerol 3426.53 2443.95 2105.75 6838.11 6361.25 5778.03 25346.27 1357.78 1691.91 1880.21 1405.57 292.45 16580.99 5137.46 2221.29 16791.57 2334.44 2691.59 2673.12 252.75 3446.34 344.74 255.75 2931.83 2182.57 2886.59 3190.74 1373.68 4478.36 5390.43 3438.52 6300.67 2237.14 14713.52 1708.86 2982.25 2284.56 3358.83 1672.69 1854.64 5322.43 12684.91 1898.24 2187.92 3726.03 20573.15 2500.25 2477.06 3645.8 12262.13 2493.29 2974.86 1310.74 4548.99 2981.28 848.98 2128.47 1814.77 1844.09 1391.23 1903.71 5772.7 1694.82 1967.33 1163.04 2627.14 4157.77 2078.57 1775.53 1649.98 1862.42 2533.01 1294.4 8266.56 36431.8 5884.37 5787.24 6315.34 5780.86 5785.61 5883.6 5777.72 5885.54 5666.47 NCGC00385114-01_C41H70O13_(3beta,5xi,6alpha,9xi,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside 1524.81 2043.46 1353.18 828.76 1597.51 1157.26 1249.18 1528.27 1123.37 1828.11 1782.31 625.68 1859.37 323.02 1090.49 1062.84 878.07 1891.81 646.46 2111.94 1228.42 1077.29 828.34 396.78 1510.65 2897.79 1365.27 1532.61 1596.19 1175.73 1307.53 3466.71 2167.83 224.77 921.31 1870.07 848.71 1449.13 1231.13 1515.34 1020.3 3349.53 734.12 612.39 1627.92 1532.12 1450.95 1686.51 97223.1 7758.74 4682.49 2715.57 2443.38 4089.73 2695.06 1369.69 1119.51 582.92 1533.6 2995.54 1076.36 2162.55 2650.75 1521.22 3229.83 2741.63 1663.65 3241.74 1835.25 742.98 994.35 1414.64 70227.3 61035.63 14536.81 3558.03 3782.01 3707.48 3509.92 3691.9 3669.69 3523.03 3576.73 4453.85 (3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside 39226.4 51868.93 39266.98 44447.68 55417.88 55846.46 28174.12 26349.82 31802.53 32670.56 35839.54 47178.82 86608.33 58099.04 45295.65 50088.88 47241.53 60786.45 54553.92 59193.19 55116.36 47468.32 44954.24 26192.65 30610.79 54993.44 28920.57 36795.97 48432.79 51658.64 59672.29 94535.64 57183.98 63935.79 36377.82 55184.25 56963.89 66253.94 55846.59 46226.57 67995.64 73525.64 43765.96 33973.33 54573.8 37170.67 44294.95 48653.43 43682.45 89085.61 52686.64 53462.7 45818.27 57359.04 33760.48 64783.31 47094.38 37495.39 31513.89 32275.43 31332 29610.84 45783.89 36793.42 30429.2 53502.26 63597.06 39816.27 36832.87 31526.06 39068.86 37860.13 36590.1 76276.21 55304.98 8549.57 15771.64 8867.69 10526.44 9356.18 9285.82 9631.64 9456.97 9471.46 10019.18 8800.75 8692.9 9344.59 9428.84 9417.69 8057.29 8763.43 8486.28 9575.86 9583.62 9753.16 9719.85 10369.24 9295.72 9337.07 54148.5 56557.43 56887.07 56501.27 55989.63 56002.53 60127.59 55964.83 57317.56 DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 779.56 1184.53 2017.76 1758.33 426.49 3445.64 1951.57 825.59 893.43 1388.47 6408.61 1850.97 595.47 2370.25 882.78 9703.41 728.04 2031.71 10732.52 376.62 1234.99 2040.92 1608.04 446.36 1231.67 2450.82 492.81 351.23 1612.84 1725.13 2940.83 5827.47 1069.63 2334.39 369 3466.98 531.53 2474.36 1367.2 398.24 4962.28 12503.76 783.02 476.31 7835.31 3642.9 3734.84 5269.53 2721.25 8238.99 527.5 2526.37 697.57 6608.7 3438.88 5027.6 1303.9 741 287.51 996.84 959.17 784.22 2637.87 314.94 475.85 3126.44 5166.39 1421.27 1878.33 1150.68 554.79 604.79 442.82 3427.54 4824.7 3424.97 3496.81 3359.89 3425.38 3380.04 3492.67 3323.89 3314.85 3012.25 AS 1-1 1025.74 7771.32 6749.61 8592.01 4888.14 954.62 1295.37 7529.23 4663.82 4582.24 11662.28 9803.24 11313.67 10419.45 8601.56 10716.82 6918.33 5247.46 14833.9 926.66 7282.5 5978.75 13949.85 11647.37 4639.78 4294.2 9849.49 11042.03 8368.18 5122.55 3961 12388.49 7104.35 7870.2 10441.76 6386.22 5806.82 6276.08 9962.93 11304.54 4639.39 6089.25 15093.01 10320.69 6687.7 8684.4 4518.5 24403.51 8010.4 17800.83 6728.76 11555.31 17108.13 14009.39 6640.93 7216.33 8031.13 4418.94 4719.43 4489.83 11887.71 14304.91 8581.11 16551.5 10041.74 11058.95 3019.97 7100.76 8685.9 10594.19 4441.8 4191.8 11272.47 10503.97 10879.34 6625.65 6477.18 6622.79 6482.67 6489.47 6627.86 6622.59 6629.75 6222.17 2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one 2289.19 3242.59 3239.32 1149.27 3082.25 2645.72 1215.68 901.17 2070.01 2597.5 957.01 1581.53 1434.33 2846.81 1125.58 2480.78 1199.34 1419.25 2053.06 1254.26 791.14 2101.72 1256.86 1760.73 909.82 4128.66 4316.16 2644.64 2848.69 2114.59 2163.16 1724.48 634.6 3007.75 3015.38 1908.4 3022.89 2150.57 1844.44 1548.51 2774.3 2172.09 2792.91 1091.24 1715.75 1983.19 1652.25 3015.88 1533.2 2780.64 2476.15 2152.55 1888.08 2252.45 873.75 3069.7 1252.83 2190.71 1967.79 1911.72 2646.81 2293.67 3189.39 2813.65 2535.43 1968.79 2618.04 2968.65 2292.9 1605.19 2944.97 1953.84 2561.06 2327.63 1808.42 2652.55 2748.54 2769.07 2890.1 2644.62 3087.97 2354.15 2417.42 2768.65 PE(DiMe(11,3)/MonoMe(13,5)) 488.94 515.13 310.13 570.74 675.34 345.86 430.89 419.15 221.47 205.1 148.1 580.54 333.12 328.01 339.36 152.43 124.94 721.01 547.25 809.58 501.52 371.62 354.95 432.42 586.86 166.37 150.95 272.39 199.01 117.94 293.26 841.97 344.72 309.31 503.24 9905.85 4326.74 2774.78 171.53 203.72 2021.46 4674.57 904.89 3048.31 5659.45 2087.56 6398.15 4700.31 4407.88 2715.76 3815.42 2797.61 152.8 841.4 4527.92 4119.9 217.97 234.61 5815.95 1805.91 328.12 536.13 3596.65 1714.09 564.82 4413.17 2009.36 984.51 507.78 5243.06 2645.49 1408.58 1273.15 969.17 710.06 16673.57 10832.08 21495.64 13382.12 18126.74 7464.59 3168.82 26840.14 16549.22 1057.4 3099.64 3327.58 21233.28 1083.2 7559.55 3372.54 22077.75 7409.09 2208.95 11931.29 2765.55 4077.03 9388.22 50393.74 3060.39 3100.16 3142.41 3061.59 2988.29 3093.02 3108.55 2982.82 3098.38 cis-Uvariamicin IB 7.59 7.59 7.6 7.58 7.59 7.59 7.59 37.97 7.59 7.24 7.53 7.59 7.59 7.18 7.55 7.11 8.25 7.38 7.37 7.26 39.83 7.83 8.73 7.56 6.51 7.59 7.69 7.86 6.83 7.95 7.57 7.59 8.17 49.33 144.71 51.13 74.22 7.59 7.44 77.97 68.81 76.27 68.72 7.61 42.2 96.3 90.74 7.5 50.96 43.8 7.59 52.64 96.32 126.93 85.41 150.04 180.25 84.85 7.59 195.53 189.15 7.36 81.76 82.05 7.76 87.9 7.59 7.42 83.36 7.59 73.11 7.71 87.96 100.24 90.44 101.75 112.65 114.45 114.87 106.59 66.81 128.67 107.53 114.23 Asp-Ser 31589.78 28037.16 33147.08 28915.05 26063.97 22787.63 11673.91 16138.51 30604.97 25494.1 5171.85 20474.73 22783.83 27173.85 26215.21 24655.33 24725.26 25679.14 27718.14 25550.87 11855.16 17653.55 19101.55 33307.96 34710.45 36756.88 30660.81 32115.39 32607.4 25074.24 24736.22 30315.17 19315.55 37354.59 29644.52 34819.78 25925.91 16935.63 31200.04 24772.28 22071.98 25362.95 26992.92 26732.88 29176.68 22750.56 32844.19 27315.91 20066.65 22074.59 26177.02 26821.99 24998.45 20258.36 9958.29 21947.49 27726.69 24821.98 24988.9 17284.18 19033.45 26592.75 27056.34 29262.59 32000.13 29571.73 24785.15 34087.49 31918.13 31074.9 28144.58 19390.93 19398.38 21960.12 28952.93 28666.18 26888.43 25719.87 27268.04 27348.78 27345.34 27279.8 26902.24 26884.36 [(2S)-3-hydroxy-2-octadecanoyloxypropyl] 20-methylhenicosanoate 799.65 611.98 161.95 207.55 932.59 4697.71 5325.55 2917.09 398.56 380.76 424.27 358.83 350.03 141.89 1017.76 522.06 225.69 438.75 465.78 565.03 148.61 145.09 297.7 181.35 474.88 310.84 1212.99 235.03 140.23 291.6 120.45 113.75 743.6 2051.85 1237.58 5399.69 3438.28 476.69 234.86 772.24 4718.72 1989.24 406.17 167.24 2381.34 4151.29 1085.2 1282.26 632.87 480.16 3733.4 1009.01 652.92 1998.83 2604.82 1095.15 284.25 127.67 2370.69 312.75 402.66 977.15 3016.74 1216.78 523.52 4064.55 408.18 700.33 505.14 5192.53 1824.88 164.19 1214.11 211.95 1513.23 3326.94 3034.14 3245.81 3327.39 3272.99 3245.15 3289.94 3332.27 3328.03 NCGC00347389-02_C42H72O14_beta-D-Glucopyranoside, (3beta,6alpha,9xi,12beta)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl- 65902.96 12473.32 12253.46 1214.9 3371.18 1169.85 6311.23 24071.35 38975.87 22977.68 27978.35 1355.2 24946.31 20299.68 17479.5 944.45 4195.36 6512.77 28524.82 3454.46 2875.54 6128.92 13634.47 27526.89 20616.23 641.53 86945.45 33889.86 9470.37 640.46 14790.73 23779.2 2166.35 40680.87 1269.06 5709.97 17201.77 2042.88 35328.13 7508.86 2083.06 26022.89 10337 14967.41 29625.67 1692.89 13333.53 5030.49 116115.87 32973.92 46199.12 8716.48 9680.27 13296.37 4773.05 9130.86 1501.47 4755.84 3857.07 1388.86 20836.9 24515.62 24987.66 3563.97 1780.82 26519.53 9025.64 4052.85 2838.93 23729.27 27875.18 26176.85 46931.59 34812.91 26365.3 17417.62 17403.34 16851.78 17398.36 16799.11 17450.52 16892.85 16827.71 12801.06 7-(9Z-hexadecenoyloxy)-hexadecanoic acid 6766.68 4293.86 4757.95 6136.32 6638.76 6191.07 1575.13 1924.36 3756.29 2970.83 1787.96 3262.91 2171.68 4030.53 3948.73 5508.04 4594.84 7867.16 4060.56 9259.39 3285.75 3020.97 2177.34 2412.33 2881.84 4638.32 1986.03 2302.27 2872.64 3421.83 5406.54 4959.59 3347.12 4278.87 3472.33 2877.24 3619.68 4269.52 5006.51 4313.73 8629.7 4062.49 3281.89 3256.05 4102.77 3353.79 3138.42 2986.76 3798.1 6720.32 2311.26 2665.61 3860.07 3520.57 3763.9 3422.74 2853.95 1892.24 3016.57 2800.4 3613.91 2604.13 2445.32 2105.11 2140.72 2744.6 3514.55 1948.67 2721.29 3236.65 1980.59 2314.22 2053.48 5247.53 3185.8 4707.74 4766.19 4775.34 4691.35 4691.33 4687.72 4836.8 4725.43 4597.51 [(2S)-3-hydroxy-2-(17-methyloctadecanoyloxy)propyl] 19-methylicosanoate 1853.47 1990.58 532.45 1673.07 1577.89 1922.88 2269.25 2743.62 2194.03 2297.99 2331.15 3255.66 2275.84 2373.06 1944.81 1902.45 2468.11 1757.97 1105.8 1569.94 1882.15 2859.22 2730.95 2078.5 3788.18 2923.9 2988.11 2894.91 2509.88 1770.13 1753.06 1209.23 3092.76 2244.26 6577.08 6300.54 2492.85 749.86 5224.46 4123.17 1738.95 1675.3 4383.05 2877.06 4274.06 1244.73 4466.75 2033.83 2999.63 1549.76 5646.39 1910.34 1238.68 5543.11 5379.39 3472.62 2456.37 3632.54 4461.25 2799.82 3093.81 6119.99 5026.84 1725.78 5695.24 4261.26 2589.03 2397.22 3187.62 4902.75 2783.45 941.94 4614.71 4868.33 3809.09 3414.25 3635.65 2730.46 3689.58 3590.26 3699.13 3799.01 3679.07 3528.93 (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside 2940.86 2896.7 11103.37 4324.16 3815.36 4250.26 3447.74 2738.86 3679.25 3742.4 4111.34 6797.03 10015.05 6430.6 4866.33 11108.85 4694.33 2835.07 13968 3322.62 3789.55 2950.38 6370.52 7103.06 3106.3 4879.33 6715.26 4456.74 4333.05 4681.73 4739.17 8577.47 2460.72 13138.38 7735.57 2520.45 6735.06 1621.93 1756.91 4170.56 2002.54 2792.99 13622.93 4743.28 3283 3521.21 3515.12 9539.59 6917.33 18103.46 1804.99 3030.73 11924.82 9097.84 3111.98 8769.27 9090.23 11268.79 2113.62 4612.05 4954.88 1729.99 4954.38 17810.08 6827.34 2491.71 5475.22 7259.04 5506.89 2453.03 3489.61 6189.81 3456.61 17110.35 15347.77 6973.54 6965.64 6912.89 6972.21 6797.55 6871.84 7192.42 6795.3 6796.66 TG(14:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 993.75 451.78 380.4 1083.48 718.12 1068.98 2275.87 1302.09 330.12 2107.22 1032.84 1437.24 1537.14 310.17 933.96 689.42 324.93 1878.58 1404.39 386.1 1169.14 948.2 747.41 1396.69 2042.66 1229.16 1561.69 2920.84 945.71 1115.5 696.39 3191.76 1297.86 1491.75 1494.69 1774.39 1058 700.64 1518.56 1513.93 360.12 1157.87 2213.33 630.48 2978.59 1456.95 1796.1 2051.91 576.97 544.46 1841.02 976.92 2114.48 1779.23 973.48 753.64 1570.89 399.56 2219.76 1003.12 1999.76 1815.67 1051.03 1200.03 775.65 1307.16 1389.14 838.12 1644.37 1321.67 1344.53 1588.47 452.59 2772.88 1553.5 2513.58 2175.08 1918.93 1452.9 2165.51 2064.41 2189.19 1952.16 2005.47 TG(i-21:0/a-21:0/a-13:0)[rac] 16402.27 30966.15 142166.53 46311.54 91844.59 46965.01 29628.51 75409.09 57611.54 24497.32 39071.18 60184.9 15243.99 22189.62 45122.69 93828.28 78501.05 53934.44 130455.85 38345 90611.47 28668.25 108394.58 45584.25 63939.71 21210.27 18835.66 18086.68 116699.35 56720.99 16476.47 46699.37 116851.39 100514.18 70776.16 106909.35 49130.67 16492.59 44494.64 24600.73 16680.69 30944.75 113179.38 2473.31 13548.31 36829.83 77790.09 140059.64 136105.56 59975.5 25552.16 110970.66 125492.87 94486.65 117354.36 21449.46 103167.28 56967.61 77354.69 10076.49 93660.94 38594.37 108668.99 186016.93 98008.58 48287.27 18547.6 29091.1 3394.92 99360.09 6627.34 11558.84 56129.73 80325.21 53663.01 63884.7 74127.74 64013.98 66834.36 67021.63 67088.09 63155.21 63505.29 62794.36 (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 3488.53 1047.6 3505.71 2747.32 3712.34 4979.76 11122.64 2972.8 4403.3 6225.75 8955.08 9073.95 6658.77 6492.66 2056.35 9942.01 2142.66 1385.54 6715.48 2868.48 5035.04 1009.33 6281.66 5030.29 5262.76 4813.37 7144.9 12844.55 1043.14 1599.9 3026.74 6014.31 1015.7 5038.74 6245.96 3351.81 2739.23 6336.49 2056.32 1418.24 1436.32 9592.51 1873.65 5061.51 5276.93 942.81 6066.66 5306.12 1378.01 11990.58 3250.2 1656.98 4708.79 2090.7 1017.41 1433.39 2251.83 4249.54 2277.05 1004.42 2485.02 2200.28 2305.77 4353.34 634.02 3971.35 3270.4 6860.05 4715.8 2376.45 1178.17 3781.16 6859.74 9959.66 1862.45 5434.6 4588.34 5537.9 4848.95 4914.24 5351.78 4421.35 5349.43 4458.98 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol 3893.27 6334 4080.93 8702.54 8385.35 9146.25 5025.08 4024.63 4423.92 5333.54 6186.89 4933.46 2109.24 4855.7 759.71 2235.82 536 2619.99 426.88 3263.56 4452.56 3314.05 1430.7 1000.55 2002.54 4543.72 3439.38 314.81 4881.64 1284.72 1497.28 10491.17 1984.14 10136.58 4788.98 7514.15 6546.4 14864.84 6962.53 7617.43 21270.81 24050.19 8692.76 7652.25 17537.88 13057.13 13471.69 12151.54 9435.06 40045.41 16448.82 21335.68 10448.84 16037.25 7238.99 15647.21 8443.06 7045.38 5922.12 6700.4 6257.39 4411.73 8146.92 6116.87 4735.73 12923.79 22024.68 7389.24 5930.88 4736.28 10189.29 6906.8 7422.77 21243.49 13418.3 13458.37 14528.39 15156.22 14325.78 14163.57 14498.86 14511.18 14165.74 14540.14 DG(22:0/20:4(8Z,11Z,14Z,17Z)/0:0) 1148.5 15747.56 84535.62 32655.43 708.65 9782.22 5034.13 47728.26 34473.12 1319.15 24612.92 20131.51 17546.31 2798.88 36250.14 56030.54 29142.99 18548.01 77583.54 23622.38 43832.49 1906.69 52990.73 34663.07 46121.07 15715.49 1156.01 15946.45 69876.52 22027.48 1569.93 760.46 55434.71 65278.03 35092.9 72273.89 37699.33 2147.79 16676.03 11327.73 6004.38 24014.33 56768.21 2416.02 24414.22 20728.71 55240.89 163134.29 188728.78 19250.01 17925.56 61921.74 48739.98 44534.94 98295.73 14601.68 40499.3 25799.63 49248.01 2349.49 43909.83 30258.56 80294.49 134194.19 48756.17 16237.95 2875.05 10935.65 4088.7 58071.22 34910.78 27182.34 28931.75 29836.8 28477.69 41500.01 44079.32 44369.65 45449.79 42844.88 43673.1 43924.79 43226.48 42818.39 9-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-10,17-dihydroxy-6,6,19-trimethyl-4,7-dioxa-19-azapentacyclo[9.8.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1(11),2(8),9,13(18),14,16-hexaen-12-one 2303.36 294.14 425.71 377.48 10704.21 2746.12 162.91 16698.09 14767.81 2312.5 929.81 423.59 2561.42 415.4 653.14 1877.72 487.97 2208.39 1928.15 694.75 10525.83 781.84 139.68 675.23 574.58 299.51 199.19 5242.93 517.19 232.39 1131.78 10843 417.43 582.52 798.87 14236.63 9784.18 914.54 1078.61 1445.98 8923.69 14893.9 441.38 1855.08 16034.82 2532.61 13637.81 2560.35 25211.24 14286.98 13752.38 2182.98 2495.73 1103.75 8955.78 597.42 270.77 377.64 8083.42 477.2 794.15 464.49 2236.36 1909.79 1122.76 9894.07 5117.38 2614 7451.91 5085.85 4963.8 2828.66 8477.66 1744.14 1720.91 7165.62 7536.41 7685.18 7673.11 8029.07 8277.07 7833.66 7927.6 7656.18 (2S,3R,4R,5S)-2-[(3S,5S,8R,9S,10S,13S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol 11425.92 8774.01 14615.28 7518.43 11356.96 19238.43 1887.72 7627.5 10885.57 8850.46 3703.47 7722.66 6056.64 7995.31 5466.47 7511.45 10003.73 13977.89 8107.66 13466.01 9348.26 9061.36 8926.29 4105.57 5816.95 20709.15 6555.41 6760.16 9234.8 8654.31 13135.41 10051.39 8617.84 10869.71 6904.39 9431.57 7638.54 13193.68 9533.6 16286.71 11517.46 8053.99 9159.57 8914.82 7292.38 2398.79 8054.45 7552.52 16209.01 9915.6 7352.89 7199.84 8276.93 8561.39 7110.96 11264.13 6637.99 3060.79 5768.42 3888.53 8024.5 4862.14 5653.05 5655.03 4531.58 4782.17 6639.49 4330.65 3787.81 3860.38 4867.55 4791.55 4586.62 6661.26 4392.47 5789.55 5838.1 6023.89 5910.56 5789.3 5902.44 5879.83 5787.6 5831.81 1-Behenoyl-2-eicosenoyl-sn-glycerol 284905.95 326954.53 974460.73 271130.26 226463.72 4748.54 332401.73 953507.95 1090280.77 626185.57 259689.22 283318.89 330082.17 111067.16 371429.16 402996.99 384304.59 57887.22 556555.68 128006.7 184170.03 201069.07 370544.77 194242.72 231329.7 350955.27 858392.41 307755.51 447332.56 298374.84 925.34 196095.47 324364.72 658533.84 443703.96 1034715.11 485665.54 67049.14 436915.09 202996.04 141513.93 586967.08 575662.48 120414.33 482070.67 289663.58 676691.99 796715.22 1362961.69 653893.51 450742.03 455560.61 461542.83 461063.82 637685.07 358170.52 400878.16 273202.96 369439.1 27725.5 418760.42 277432.55 1035681.38 895968.8 303576.03 515528.32 174533.79 416791.85 117185.6 888088.46 675647.58 620964.17 471615.82 455856.67 598149.79 558466.2 556328.91 550105.18 549838.46 556655.05 555349.55 554456.97 555341.95 545208 (1R,12S,16Z,24E,26E,28Z,32S)-1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone 451.49 342.19 445 1049.26 5607.09 1918.85 6472.32 908.9 675.37 409.9 369.45 469.23 432.66 305.23 352.83 959.13 218.33 230.95 601.87 250.82 445.18 161.03 514.27 476.35 250.51 234.51 250.06 221.32 414.47 373.51 290.33 871.59 502.25 654.96 867.07 1363.86 1235.7 740.44 1182.54 358.54 8396.6 2774.94 996.69 372.08 1123.98 1332.63 1543.2 1658.19 1989.99 2404.01 2225.03 887.79 1506.9 2076.31 1527.8 248.99 300.9 289.53 1318.11 689.32 584.82 928.35 1363.9 1743.58 678.18 1621.73 612.04 871.2 392.53 2630.76 493.62 293.67 1316.55 1709.71 1816.53 3440 3440.49 3364.6 3338.51 3136.62 3342.94 3343.64 3447.98 3461.26 [(2S)-2-decanoyloxy-3-hydroxypropyl] 19-methylicosanoate 481.63 623.59 1372.19 546.8 11406.14 3768.78 3637.48 2039.05 1737.79 1693.35 1715.67 358.92 706.88 1034.15 1212.76 1028.56 853.26 1737.84 2154.02 1296.21 1366.43 999.05 1129.72 1069.64 397.42 499.99 1128.37 1188.75 795.2 680.18 1347.24 1641.26 1283.02 859.91 963.69 1558.43 807.32 1230.49 1083.52 621.67 338.95 1537.78 503.94 394.94 1677.32 1121.44 1286.95 1175.79 1082.44 1349.5 1345.74 529.24 549.85 864.87 1557.56 391.62 1114.93 727.22 2356.58 665.21 753.69 963.52 477.66 996.09 373.79 1128.77 1321.7 729.1 374.88 1651.29 482.9 1157.26 1179.7 940.53 1312.26 1590.2 1876.59 2024.79 2187.29 1961.46 1878.3 1875.64 1951.39 1871.68 [(2S)-2-docosanoyloxy-3-hydroxypropyl] 22-methyltricosanoate 1823.95 1305 3365.51 412.92 619.11 706.32 1167.18 3530.19 529.65 1142.36 1270.01 1875.66 1411.55 3569.62 1932.46 1775.01 1475.55 1675.33 874.55 1272.79 1938.82 540.1 5487.83 1144.66 1940.68 2039.16 484.87 1186.49 1045.79 464.56 539.15 2915.57 831.36 1263.05 5499.67 7804.49 9610.65 3112.08 7133.95 3112.08 5456.44 9803.34 3327.7 1531.43 8144.03 4545.37 3556.45 4576.46 5001.05 18577.19 11580.94 5839.21 4195.13 10370.21 3672.54 906.21 1186.12 773.58 5098.88 558.11 4083.41 5480.85 5514.39 4445.7 3210.6 11894.27 6185.88 3220.9 10886.38 9518.35 4437.94 9460.43 18555.29 793.04 4494.19 5862.57 5126.31 5254.2 4321.72 5066.78 5252.27 5252.39 5000.82 4963.51 5-(9Z-hexadecenoyloxy)-hexadecanoic acid 3820.34 7976.8 8216.46 3854.25 3838.17 7579.07 951.87 7944.97 5607.55 2490.55 2700.74 1983.35 3846.25 4021.17 10303.56 4181.61 6201.21 4254.32 6522.75 7655.92 4392.78 7647.28 3162.6 4937.58 2383.62 2722.55 4588.51 4595.87 8190.11 4319.81 4430.28 8105.46 4391.33 4616.33 5156.79 3624.7 1997.24 2799 833.16 6033.29 3008.07 3820.81 5262.65 2589.75 1991.83 993.65 5204.51 15128.55 3388.88 1104.74 758.84 3076.49 3586.72 661.05 6402.65 7536.47 7468.38 5508.29 5711.54 8156.15 3859.59 4762.62 3701.9 7132.69 8602.74 4304.08 6351.1 3881.34 4994.7 6054.74 8411.47 2263.78 1967.24 5059.11 4702.45 4085.44 4045.09 4146.06 4146.94 4041.04 4040.89 3984.51 4066.26 4038.7 Everzol Orange BN 751.7 1613.09 2220.89 1797.61 1022.13 2442.35 1319 7660.56 6934.2 4551.59 5247.84 4382.9 2470.77 3645.36 6138.97 4748.21 3473.03 5218.34 5426.04 2929.36 3488.53 1716.78 2225.65 897.16 5743.26 3629.36 3119.13 2948.26 4691 1442.54 3044.92 2157.69 955.27 1035.56 2141.13 6477.14 6235.57 5457.81 3486.36 4377.97 539.62 2198.38 2579.76 2267.59 5444.75 530.69 6244.9 5488.08 8766.46 5082.85 8268.52 9135.04 2082.29 4134.41 3509.91 6851.46 2997.86 2522.86 2198.88 1348.1 4142.97 2343.3 7118.8 1737.39 1898.96 6018.14 4596.45 651.12 5478.08 7225.58 2898.22 2426.02 5223.16 2642.62 573.11 3928.31 3977.98 3964.95 4062.2 4067.88 3930.63 3924.33 3300.52 4072.36 beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp 1794.42 1542.25 955.86 573.36 2010.81 1934.52 4097.69 1660.18 1274.95 1815.74 315.81 287.19 870.86 1868.16 1660.82 1623.05 1354.53 1080.25 2770.98 302.15 344.73 1193.21 540.09 4041.81 1312.32 533.7 1672.97 2241.51 1975.23 817.04 1577.52 532.16 827.91 1432.1 2373.06 1201.46 2314.71 1009.46 3356.32 1290.38 1990.26 1055.81 1844.38 9337.05 1629.92 1801.66 800.12 2895.55 696.26 990.27 737.04 3785.02 780.71 1510.22 3342.71 6906.56 16632.35 3860.41 1595.44 3756.73 10342.39 2672.5 4299.1 754.17 1273.06 2339.43 866.52 7922.6 7635.07 2485.17 1169.03 2253.05 991.29 1381.51 3171.03 3588.34 3368.54 3310.06 3369.59 3359.92 3370.16 3348.59 3269.04 3340.69 NCGC00347421-02_C35H54O10_Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, (3beta,5xi,9xi,16alpha)- 9448.94 7731.82 4253.44 6371.51 10330.55 15938.63 37482.07 947.29 10955.46 8050.84 6385.08 7323.73 10340.9 6746.14 8871.24 7813.32 4645.79 2190.7 489.37 16066.81 11329.45 7942.25 7188.52 5925.94 8072.01 10197.75 7880.22 5989.45 14135.52 7659.1 10122.02 84907.09 6944.27 9192.26 5936.02 10624.83 9887.62 8029.16 7029.29 5429.43 16628.06 15392.68 5997.86 5285.6 12514.51 7250.84 14736.63 7443.18 4700.61 12771.14 8449.66 9956.89 5994.26 6907.79 6337.33 7285.93 4617.83 4397.3 6760.34 8579.16 6590.55 6301.98 7044.38 5125.8 3795.93 8644.51 9958.49 4820.48 5255.32 7809.01 8067.72 8159.97 5419.48 7229.45 6867.41 11056.91 11055.69 11071.48 11266.38 11144.79 11055.81 11090.6 11105.47 10653.85 [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 5907.04 6627.7 8089.45 4031.21 3362.97 5729.15 3212.05 3641.44 2386.27 2319.34 2010.49 1858.33 1131.37 739.35 1249.21 1050.11 741.65 1018.04 1966.55 1037.44 1760.76 2180.44 910.71 9566.84 6758.37 1304.81 3034.83 4099.39 7034.58 2941.98 2364.97 891.57 1003.62 10828.39 9198.99 9349.73 9635.34 7110.35 6626.36 8302.84 11501.11 9043.33 9570.5 6600.66 12160.09 10213.41 9946.88 9671.29 4722.1 3712.4 3971.41 3200.52 2132.59 3723.24 4758.49 1732.01 2220.7 2059.14 1550.79 5040.04 3471.2 2465.02 2656.3 4958.74 3979.94 4286.86 5718.67 4241.02 4020.13 4065.68 3774.44 5320 7324.93 36166.03 3066.03 2357.81 2844.44 2703.57 2830.13 2716.13 2747.39 2890.71 2870.66 2996.06 2-Demethylmenaquinol-7 3565.59 3706.43 3932.9 2304.91 2537.87 1045.5 2202.82 8757.92 2275.36 5197.62 5673.02 1723.13 3122.62 5004.63 4028.03 3973.56 4477.85 3679.05 3857.62 1150.6 3386.97 3428.17 681.69 4180.9 1078.77 3447.86 1371.3 3215.67 3369.58 5043.4 3100.2 1163.91 3485.71 3470.45 3526.7 4971.17 2442.76 1689.96 1887.13 4313.82 3367.07 4535.21 3755.49 1711.41 3923.29 4174.12 2625.59 4237.06 1324.43 1568.83 3445.36 4778.62 4424.28 5570.98 2236.21 4461.67 5799.16 4505.22 2260.42 3046.37 4920.78 4628.51 5363.82 3790.38 3402.07 3910.57 4840.15 2596.26 4955.45 2847.11 5222.17 4358.62 4166.36 3498.86 1609.62 3094.75 3209.1 2659.2 3211 3139.9 3343.08 3314.49 3699.32 3150.05 Glycerol 1-(9Z-octadecenoate) 2-octanoate 3-tetradecanoate 18037.82 17872.74 6530.84 6306.69 2424.4 2726.42 3806.65 6079.04 1037.18 5697.31 6108 8743.09 6013.27 7538.39 6097.66 3834.58 8547.65 7172.78 5620.57 3818.59 3500.69 4803.33 5680.89 12514.09 10934.13 6689.4 8464.47 9085.39 6661.37 9238.8 3820.3 1097.39 5467.62 6255.99 12083.72 5270.45 7058.31 15283.56 5704.45 25412.35 2768.18 2058.33 6326.38 19045.19 7958.61 1040.05 7919.36 2211.55 4409.26 5899.37 10644.12 4259.35 3577.44 37024.43 9784.84 4172.56 5723.61 9803.72 5609.32 12199.4 7458.03 10273.16 4146.74 1133.3 29844.3 4322.35 4999.22 16000.06 7884.8 8571.64 2978.34 3187.21 30929.06 7883.8 8440.81 7275.99 6402.27 8188.09 5294.67 6521.72 7879.35 7332.78 7462.27 6012.7 [(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] tridecanoate 3676.82 5640.1 3225.94 3979.27 5855.31 9807.03 1246.3 1174.93 5888.63 4434.93 483.83 4877.25 3368.48 5095.59 5905.18 16201.65 496.65 5689.06 4615.51 653.26 5140.32 4117.7 11603.61 13105.74 2920.09 4905.9 2586.43 2813.27 4575.35 1696.4 11281.38 8000.18 5298.45 4285.95 3499.3 5429.28 4429.99 7171.06 3831.83 1512.9 6660.79 8735.74 2861.5 2598.1 7125.79 3109.89 484.35 4034.22 2709.81 11710.36 6240.22 5308.35 2585.4 5222.27 1982.81 3420.67 1991.38 2044.8 3015.6 1128.74 908.11 2926.85 5920.08 3289.5 3191.62 8168.65 4227.03 1998.17 2274.06 3850.32 4647.48 3580.6 3618.12 2483.52 4199.49 2806.13 4560.09 4557.5 4309.81 4245.63 4619.69 4229.04 4106.54 4343.1 (31R)-8-ethyl-12-methylbacteriochlorophyllide d 29553.51 2163.22 2427.16 2963.79 9615.11 7172.31 1097.68 24695.07 28852.2 22343.14 7583.7 11627.08 4180.19 7048.57 848.81 13461.57 1200.99 2672.8 19186.78 14107.19 25941.82 10193.11 4147.01 3464.47 1903.45 19472.61 871.56 20047.46 19995.15 12629.1 30613.11 19083.57 12567.26 6232.36 4915.58 25715.25 22377.07 7206.62 6986.72 9150.84 20470.76 23328.31 3787.57 3341.69 24038.74 6744.88 26670.4 10250.22 23602.56 21604.06 14211.9 9352.91 3400.59 5671.07 7506.7 2614.44 710.77 2639.26 14346.28 2007.74 671.48 2660.5 7729.7 2097.12 6222.72 17263.52 7987.06 14225.17 16330.47 20065.58 24895.28 15608.08 9616.9 7780.75 6937.17 13036.03 12907.16 8094.28 14071.37 13407.27 12130.86 13422.92 13462.95 13219.01 2-[1-[10,13-Dimethyl-1-oxo-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one 1080.8 454.44 1363.96 242.35 1115.11 1709.68 5056.8 1343.45 523.75 381.23 2125.78 756.02 362.52 193.79 1018.83 237.49 687.56 399.31 934.8 637 703.9 1314.96 174.29 599.21 2025.19 605.17 1254.81 201.24 1133.36 287.54 406.89 993.18 1614.64 1355.4 2971.14 2940.84 885.72 8488.6 1176.5 1631.03 4968.45 3908.8 2657.25 8369.77 4133.97 3977.02 3659.63 1712.19 3592.84 7676.46 5743.06 5565.15 2866.78 1063.87 1851.35 4598.75 6176.13 298.83 12221.06 1037.98 3037.17 1229.79 3426.48 176.78 3897.09 4468.79 3402.57 2772.65 5565.72 2064.77 819.71 8097.49 2494.21 2002.92 4429.1 5823.75 5672.45 5102.5 6421.65 5772.54 5485.35 5795.01 5318.29 5507.84 4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide 10014.77 13571.06 6710.96 4132.56 8878.7 5414.97 5746.48 9647.55 11688.34 8110.2 8929.34 5023.61 3060.15 7510.21 9397.51 7852.91 9722 8241.35 5725.22 8749.57 8130.41 4507.64 4051.71 8644.09 9550.77 8465.95 13844.7 6962.83 8156.39 5223.02 7773.04 5267.52 7959.9 4982.65 6719.3 8240.78 10804.13 8944.45 5652.74 11410.54 7388.5 7111.27 7688.15 6983.04 10466.16 4786.52 8743.73 7989.41 6081.42 9342.18 4703.16 9098.83 5768.61 7258.38 10389.81 7245.32 7952.9 6455.17 8582.97 4117.47 4916.79 4759.86 10414.69 10845.94 7928.59 11571.22 6475.04 5034.14 10242.43 10103.19 11415.66 12809.96 8866.5 7905.15 8544.18 8606.25 9305.04 8909.11 8725.33 8921.99 8888.91 8601.85 8794.54 8564.92 Ac-Val-Glu-Ile-Asp-CHO 7207.55 10459.11 6321.7 6924.89 11407.54 6649.43 6375.16 6722.42 8088.69 4174.94 3400.99 5346.92 7212.32 6951.75 10298.48 10327.97 6427.53 9677.19 10659.53 13298.76 6733.93 4286.6 1240.09 7846.34 8873.16 7407.48 6339.07 5264.97 8992.63 8038.9 14704.14 14766.5 2940.3 3983.35 6559.23 7460.72 6568.85 1992.71 1259.53 6495.51 13663.26 11412.58 6061.87 5536.28 10040.07 6108.76 8577.68 7231.83 3340.77 17558.31 3357.26 7769.46 7019.28 7231.38 8212.41 9587.28 7013.13 6498.98 6212.16 6925.81 2057.53 4087.71 7181.34 7358.18 6354.97 9506.49 11550 4739.57 6841.24 7919.89 7049.94 6411.48 5863.35 8853.98 8308.01 8309.87 8386.49 8354.77 8355.02 8232.48 8150.6 8347.8 7973.56 8287.21 Leu-Ala-Arg-Glu-Leu 7489.06 8061 8608.18 6880.14 3383.87 7445.89 12361.57 3232.41 2575.46 2141.06 3232.9 2210.94 2406.6 1429.81 8951.13 2093.88 5770.09 7974.53 7385.44 8842.07 7699.87 7757.03 1286.95 5125.71 3527.38 6545.19 1806.3 3924.08 7203.49 2405.59 5306.62 9113.46 5055.36 9941.35 13832.49 9506.52 9534.64 14159.89 5058.08 9285.35 17576.8 59057.37 14111.22 4766.98 3908.12 9102.75 11082.7 8586.23 6687.63 18139.21 2817.4 6146.95 13756.19 4459.33 19687.38 19296.2 4356.66 6676.24 8170.18 7265.48 8623.3 7556.12 25535.02 9032.57 3841 15077.61 15622.85 5263.51 4259.42 2988.2 4444.92 13055.61 6041.09 9682.49 7990.62 6880.32 13913.25 8586.04 8293.16 8305.38 7384.17 4566.59 6566.6 6715.82 9569.0 3643.59 9400.82 5803.88 5691.19 7747.66 5080.68 6764.91 6840.97 9372.0 10472.57 6222.84 6606.09 8767.5 9298.43 10216.2 14495.99 13959.19 13475.99 16320.23 13455.66 13470.59 16010.52 5751.7 13473.06 [5-(4-Amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate 476.92 1410.05 2621.31 3251 4406.99 4787.03 4049.73 1516.13 1566.29 875.33 3755.57 2849.98 4087.72 5748.38 1661.49 4435.18 2517.77 982.04 2889.55 1311.56 324.08 1627.55 378.26 674.17 2587.26 1014.47 2085.4 755.77 2407.88 421.49 1495.03 2385.1 803.56 3348.09 6064.11 1090.16 1903.08 2138.33 5808.48 3803.21 1359.12 2861.02 4428.76 5001.84 2984.65 2473.82 1430.04 2624.15 2976.34 4646.54 3182.82 1313.84 3976.75 4478.9 2881.87 987.02 1995.29 1194.58 654.53 2947.74 4596.94 4172.43 497.69 362.05 449.44 3243.07 709.21 748.84 3649.21 2888.08 600.81 3751.37 4237.27 5020.25 2738.33 4450.35 4348.01 4336.78 3772.65 4370.04 4330.83 4392.36 4455.48 4448.85 Procion Yellow MX-8G 16004.52 3108.81 16403.47 11562.74 22018.8 21998.07 18287.72 14752.66 13386.77 19528.44 22894.63 22120.49 4300.85 26793.36 9253.39 17499.26 10249.75 13385.41 23482.96 11359.97 11271.74 14205.22 23942.15 19129.88 15879.7 15095.05 19145.47 16612.72 18052.97 11044.95 13939.26 13733.29 7983.76 23272.06 17830.82 15342.35 11951.13 18627.38 22120.75 28960.3 24084.29 27271.12 22659.85 22040.32 16427.18 20124.37 2484.97 19233.99 26320.22 19717.78 18400.69 14621.56 22750.74 20643.34 23568.05 9204.21 14263.5 13683.97 13326.51 20886.67 22599.93 30260.86 10740.06 8912.04 10733.13 18103.8 10703.27 24595.44 13492.53 6800 833.46 14375.93 22539.63 20311.61 14223.74 15643.27 14706.09 15641.61 14722.33 15075.91 15358.71 3548.96 14741.15 15222.28 [2-hydroxy-2-(5,11,12,13-tetrahydroxy-8-oxo-10-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3,7-dioxatricyclo[7.4.0.0(2),]trideca-1(13),9,11-trien-4-yl)ethoxy]sulfonic acid 13397.94 1866.67 4282.8 3451.57 2365.3 12338.42 19139.5 34543.8 38096.49 1417.62 1200.95 2075.04 1121.65 5973.08 14044.88 2439.97 2949.56 2405.23 3145.41 2694.77 2030.45 4628.28 6722.83 3632.84 1522.97 2804.94 36762.15 7426.65 11311.67 12263.83 2083.62 8309.63 11850.09 34686.56 25054.25 43116.5 30641.53 8972.76 25990.5 21692.62 13033.9 22958.27 29623.14 24276.15 28581.16 14033.14 34289.23 29699.03 15267.71 21138.94 18974.75 23172.71 25838.31 17867.69 21422.28 27696.31 20576.24 19642.49 27221.81 9865.46 21131.98 20725.91 22273.39 24232.08 28004.26 26366.98 20224.58 32450.12 27632.4 34307.8 23558.66 23713.05 8093.56 15727.47 22103.55 20895.12 23348.38 23077.3 23345.22 23159.18 23345.31 22951.21 23361.1 22941.72 Thrombin Substrate III,Fluorogenic 648.1 4340.86 2923.37 3789.31 4386.95 6948.98 2622.55 2591.58 540.27 2890.64 435.03 3168.83 2033.59 5693.22 2358.36 14547.37 1800.05 6116.84 4199.67 4120.48 3992.2 2856.82 10432.96 11785.06 2703.62 5316.3 2662.85 12257.61 4698.12 4090.88 891.28 7543.58 5827.3 4477.64 2939.62 3867.09 3744.81 5708.76 3733.29 3285.11 7236.48 6518.46 3783.35 3464.89 4996.98 3439.21 4506.24 4869.34 4210.21 7951.41 5425.79 6148.91 4114.67 5139.39 3158.1 4970.12 4180.39 3085.36 3068.54 3361.64 2952.23 2617.24 3306.79 3005.93 2594.78 4819.7 7102.69 3735.96 2022.85 2610.11 4399.61 3525.13 3699.99 6723.89 5320.58 4972.34 5067.67 5063.45 5059.41 4998.48 5064.98 5069.21 5025.65 4706.27 Arg-Tyr-Leu-Lys 11911.75 6371.19 924.71 3259.59 1902.49 7419.85 943.7 14556.28 9725.58 2630.07 4065.57 7035.66 3954.19 963.91 15776.32 5900.1 3540.52 1650.1 9970.94 1804.46 12990.07 10775.72 3090 5992.9 13192.89 15098.28 1791.83 5254.77 6333.84 3665.81 9879.66 3776.79 1161.77 6913.83 3640.83 10897.72 12701.9 13049.25 3248.76 2037.59 9211.77 18989.15 4743.16 5562.2 14645.3 3128.55 9514.67 11428.32 2731.53 8746.55 9393.16 10164.93 5168 2458.45 10771.76 11265.29 2679.39 2186.68 5708.07 3192.78 1881.19 2487.43 10476.01 5395.02 3926.66 14278.05 12583.33 6206.63 5632.62 13866.97 4866.92 13488.27 4813.18 3707.81 751.17 8110.12 8101.26 8701.17 7482.41 7882.91 7883.6 8038.43 7937.56 7893.27 TG(16:0/8:0/8:0) 20884.4 25578.62 20131.18 6915.42 10897.09 35336.63 13413.05 11803.6 12802.45 22710.35 9964.05 9030.92 13399.32 20217.6 11760.51 16350.43 10272.56 10935.79 17243.01 18002.03 10209.32 12354.26 25167.88 4520.81 11686.76 22462.94 16381.51 12011.64 14900.06 28161.39 24958.7 18798.39 8319.39 6384.6 13031.92 19100.25 10534.17 30742.68 27427.49 14633.05 23126.66 16017.36 19572.2 12913.32 21848.85 9692.63 12225.15 19167.47 16637.52 26156.66 24285.07 20224.44 16682.47 16971.66 15469.52 23682.09 12266.55 6724.81 8123.8 11535.72 8789.75 9718.3 14538.23 11886.51 16689.3 9655.06 32567.58 23735.55 15455.49 10356.82 20458.42 13188.55 13842.7 12345.64 20443.83 16711.66 16931.57 17116.5 16935.77 16722.09 16651.57 16943.8 16716.23 16924.1 6-{[6,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(1)]docosa-1(14),3(12),4,6,8,15,17,21-octaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6101.89 3531.42 10046.71 13726.43 5628.72 1868.67 72577.17 301.48 1733.08 5376.39 221.7 8210.23 11517.26 3684.21 4540.18 7125.45 3602.64 2421.92 6871.72 131.16 77.09 1056.68 11822.18 7152.4 11320.6 3578.36 6540.97 7190.46 7205.44 3955.54 2899.3 8567.71 4193.07 21828.98 192.95 282.87 43.61 329102.83 2302.79 989.67 1030.51 31780.96 143.93 225.42 181.46 309.38 4797.93 434.84 572.72 1568.36 29122.66 3278.67 243.38 1036.23 14881.74 225.65 408.94 1116.9 110.28 400293.07 788.59 2356.54 3389.23 158.74 229.98 15887.22 2720.54 81.24 590.75 6822.24 108.59 124063.48 731.54 240.7 201.27 41926.24 41672.51 41616.8 41749.23 41749.37 41615.36 41437.67 41617.35 41709.87 (2S,3R,4S,5R)-2-[[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl]oxy]oxane-3,4,5-triol 1073.26 9324.86 1055.51 7842.3 10545.64 2252.64 14253.07 19714.61 1562.54 9556.77 17147.41 1301.77 16716.76 1406.31 10104.48 13700.94 7335.66 7485.68 8017.37 11321.08 13599.11 6389.26 6245.88 1155.49 10975.71 10081.58 1290.51 10786.42 8974.44 8281.07 1457.93 10371.9 7965.63 10461.95 7478.14 9080.44 10332.85 11039.42 8295 8706.82 10755.25 10043.48 7737.23 7247.44 7120.43 6582.41 9437.6 9249.14 14135.86 7744.06 9194.2 9996.36 8212.29 11143.47 16710.09 8358.91 8350.07 8619.12 9978.32 8487.53 8479.49 8712.25 12220.49 8137.8 8444.48 8067.05 9368.33 8350.94 8803.96 11206.22 9263.96 11836.36 7153.51 8148.49 11803.71 5188.96 14008.73 5470.77 5623.54 5552.72 7173.59 5443.84 5657.52 5408.71 5707.2 6893.79 5405.45 5022.03 5566.32 5139.45 6472.69 6919.83 5311.14 5001.99 5192.85 5966.57 5384.64 5210.28 5325.85 5083.31 8336.49 5588.88 8012.26 8779.08 8270.34 7896.83 7999.93 8303.81 7839.95 [(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,15-tetraacetyloxy-1,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 49852.52 77301.54 48940.85 31294.66 217663.51 109108.88 63726.43 100993.07 65990.68 80990.51 67299.54 128724.7 44718.14 68610.63 50063.82 173665.48 44602.64 114145.26 151570.33 5834.36 87996.77 54512.58 39502.59 57021.61 118742.71 115974.59 47073.52 61496.47 96441.23 37850.12 58390 260685.03 63448.19 65779.54 82755.45 67072.93 94466 68899.59 46281.03 37729.65 50699.52 122466.45 63790.55 39723.7 181158.58 92850.72 54178.79 45456.95 66299.22 203166.1 110487.82 70829.14 88372.96 88000.85 94906.62 67984.53 64079.92 43243.25 136289.07 70112.2 63660.32 35924.7 80578 91437.71 41626.61 120177.62 48050.18 60058.67 59129.15 62631.99 17302 103805.43 78197.84 64836.89 85623.9 84954.15 84193.03 84694.58 84082.5 84700.52 84716.02 84707.35 84184.63 84186.86 TG(13:0/12:0/12:0) 752.75 918.77 1339.54 984.1 1735.18 653.37 2196.2 1740.77 733.29 4200.42 10468.74 1041.2 1317.33 851.69 794.19 1461.39 579.99 876.32 1925.98 869.57 1964.11 892.57 4484.56 1667.74 1051.06 458.39 542.69 5179.84 4583.35 1253.41 868.16 1436.06 559.9 5587.16 1960 6566.94 2565.54 657.52 5032.13 3238.54 2107.44 1120.63 4831.06 3841.06 3221.16 2255.56 4298.38 3664.15 2842.67 2259.24 1637.97 2458.16 3823.96 2522.22 3433.18 2200.27 2994.73 2844.27 3444.14 1164.1 3821.68 3564.19 2721.46 2186.72 4107.93 4011.88 3541.12 3229.9 4765.94 3899.1 2417.29 2940.28 961.51 1104.79 2746.39 2393.12 2584.58 2100.73 2351.51 2731.77 2616.47 2611.91 2603.67 2431.08 TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 5687.24 9046.66 10343.58 12211.05 6553.58 2662.84 2944.28 4192.53 6997.48 7247.76 19139.5 11816.62 11313.98 11789.46 777.81 15214.86 748.66 6066.05 12682.27 7262.08 11290.88 5881.35 11248.63 14904.02 9870.66 6792.79 14176.83 18154.96 7289 20548.32 6780.05 23483.84 783.66 14276.78 9574.9 3179.22 7431.96 1948.59 13215.57 18349.74 3971.96 6392.71 27097.12 12645.17 2601.19 20801.49 6201.9 23800.41 17142.64 34379.16 10630.28 8122.35 22227.69 35167.61 4995.82 2292.69 5213.11 4609.55 4401.96 5060.7 9512.9 19064.2 3314.77 17006.7 13631.23 10272.02 10551.21 11739.69 15141.84 2479.22 5667.5 12480.87 39562.76 17602.76 16558.7 9946.24 9789.5 9850.69 9712.9 9937.76 10297.82 9724.5 9330.7 9731.46 Arg-Phe-Tyr-Arg 919.63 479.09 6635.6 1792.05 4976.32 5625.51 2701.27 1439.18 5230.57 2647.73 1633.38 693.99 1627.03 932 897.34 1027.63 548.74 1345.6 2524.46 572 934.65 1087.63 846.66 3564.9 5700.61 1274.6 1311.37 6664.32 2093.96 5992.83 2158.48 2425.47 722.2 5317.38 5809.74 6810.65 6049.44 7992.38 8630.3 6301.76 5526.55 5265.51 7823.72 6037.83 6872.65 7604.18 5041.62 5571.57 4781.5 2267.03 5158.94 4824.15 7890.92 5948.66 6701.77 5184.08 8510.47 9413.5 7340.95 6256.88 5184.42 8005.72 7674.79 6005.09 8724.36 5077.81 5779.96 6677.96 4394.17 6847.8 7487.65 8369.79 6860.68 3535.33 8527.52 6520.91 6284.11 5873.28 6289.88 6500.01 6504.97 7220.55 6265.16 6510.39 Benzoylpaeonilflorin 33538.48 19371.11 2294.95 890.25 6729.74 10373.39 1689.77 10747.35 34943.07 14066.96 1512.41 3205.17 5041.25 7004.74 22269.25 12438.57 9930.53 12394.67 20852.56 46779.51 14596.74 8356.12 3904.23 5996.23 14765.12 24586.34 5198.52 5622.64 14625.92 382.9 14833.41 9129.62 14858.36 5902.06 5774.25 10392.47 17251.75 14217.4 3185.19 4563.94 17812.62 34083.21 3816.22 5190.37 8001.53 3709.8 16660.06 6965.34 8277.5 16769.48 20158.95 8680.5 3389.37 4830.73 18449.92 24454.24 5652.74 1622.54 22788.77 3875.95 693.39 3360.86 25699.96 7826.06 2017.34 21411.71 21676.1 8134.33 6187.78 19706.87 47672.97 12569.86 14325.46 8007.57 5499 14650.27 14165.86 15007.2 14616.52 14173.62 14240.01 14675.52 13879.59 14612.38 Alectinib 9958.86 12746.58 8301.89 16203.69 14209.92 19124.06 1458.45 9947.97 5969.8 23613.59 3256.5 5676.06 9399.33 8972.29 7033.26 18205.17 20869.12 26799.61 18136.52 17387.14 14871.69 11517.71 8726.77 7170.78 12677.59 10967.54 26181.16 27384.46 13720.94 18045.9 7609.32 12285.3 16014.63 21303.53 16305.8 19387.83 20530.31 16807.17 24139.8 18761.28 7606.23 12980.89 24454.52 16246.94 17547.7 11212.67 17282.59 17841.93 12170.2 7395.56 8529.37 7292.58 19282.38 16515.43 20167.07 14391.9 22486.46 27273.12 25382.17 10138.01 24683.96 15932.37 24960.31 18602.91 11545.17 22186.56 9214.67 9583.39 16889.75 8664.34 21155.27 25450.9 20897.02 10923.46 18423.2 11797.75 12446.22 14631.75 11652.94 8132.11 11309.82 12505.41 11649.28 12967.54 Ncgc00384727-01_C48H78O18_ 849.03 310.37 871.63 794.45 933.15 357.35 592.4 762.88 1205.91 1379.26 468.99 1410.77 1839.83 966.06 308.1 672.85 566.26 605.31 959.14 322.36 729.47 1091.88 647.53 241.29 1264.55 639.83 709.91 279.65 512.21 790.71 510.38 625.48 248.09 7402.29 5101.51 662.86 2479.13 1912.07 3731.06 3925.86 1331.87 3332.95 5099.47 3445.34 1975.33 7247.94 497.33 5172.37 1418.91 6888.6 523.84 2390.64 4731.42 7117.54 3100.3 1262.67 6529.94 5169.46 1053.07 1165.47 3948.86 5376.31 2417.38 5535.49 4691.33 2742.9 2648.09 3637.63 2690.51 1288.22 1263.75 4372.53 4898.77 6225.63 7185.94 3255.08 3253.6 2606.4 3438.54 3239.7 3284.64 3096.62 3059.83 2965.77 Ile-Ile-Arg-Ser-Ser 1535.3 11427.8 1908.67 6964.95 3364.45 13194.48 666.51 8356.92 6599.61 10062.11 7191.38 12283.23 16412.94 15048.08 1909.03 10365.22 6953.72 975.26 3637.68 5680.56 8870.96 3545.47 6428.54 6740.83 10562.87 1983.17 10210.42 11733.92 32103.97 24646.7 1451.88 10929.76 8176.63 8044.07 6970.59 4455.52 11679.64 3510.66 10957.92 3973.21 10009.32 9536.98 7645.64 8605.35 3727.4 11329.4 7485.65 9359.67 7879.64 6938.82 7770.52 13142.62 8244.46 9036.18 12093.4 8611.1 9202.49 9855.9 6021.41 10362.89 9726.72 10312.66 11003.25 5795.14 9693.82 11491.9 10241.34 11517.72 7735.21 9411.33 4767.95 5075.59 6265.85 7819.79 8048.11 8555.33 9040.47 8617.1 10359.11 9058.44 9055.17 8579.47 8781.9 8029.58 (2S)-2alpha-(3-Methoxy-4-beta-D-glucopyranosyloxyphenyl)-2,3-dihydro-3beta-(hydroxymethyl)-5-(3-oxo-1-propenyl)-7-methoxybenzofuran 6309.7 8296.93 6474.6 3394.26 7935.67 14163.07 10907.42 10042.83 8589.81 8084.89 10377.25 10290.71 10942.69 10863.85 6608.58 5920.53 7767.47 7391.99 5606.74 4544.07 6200.6 6941.54 9425.21 5632.55 6466.94 8212.46 5442.01 7856.18 9346.88 10235.33 9262.97 11005.22 5502.76 9605.72 2157.73 8631.92 1777 7300.22 3449.58 1292.72 13654.67 10601.16 6257.02 5014.13 10337 9208.32 6591.8 7745.6 11744.28 15007.26 10903.88 10356.34 9613.98 9586.7 6919.48 6579.08 6565.26 1774.28 3666.5 7330.47 2070.66 1496.95 3721.34 3640.56 5916.34 4790.38 8511.58 2759.82 1924.39 2792.22 3003.05 1680.75 6198.95 4623.04 7829.96 7926.91 9113.64 8042.88 7913.82 7925.54 8208.65 8127.36 8292.54 6895.54 [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl selenono phosphate 17455.85 19154.04 18485.14 21267.75 16766.25 16480.17 28679.18 24847.33 23666.26 23279.72 22501.04 21715.29 18300.21 21703.49 24991.33 19528.84 23339.72 18652.88 20790.63 21758.16 21425.83 22319.65 21737.61 21843.04 19047.27 21468.78 21277.01 21507.91 22448.55 21637.21 16465.13 15964.85 20676.57 18827.42 25020.43 23055.25 23628.21 24075.7 25497.62 25127.58 23518.31 23871.9 22977.15 28166.39 20236.56 18892.69 21588.68 24214.23 24434.99 17867.45 24013.58 19932.72 22022.12 18857.23 20991.43 20655.2 22421.11 23060.2 22337.7 20886.69 21669.27 21787.69 18551.98 25494.52 26465.74 19559.77 19535.65 23367.69 22730.02 25822.53 21803.9 21503.71 26530.48 24324.81 21507.82 22623.94 22617.38 22086.92 22975.86 22594.21 22924.8 22986.3 23368.95 23002.66 DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 1336.55 7114.35 1949.6 9408.08 3787.45 8619.16 771.26 12978.23 8445.74 10705.21 12248.89 19554.15 22760.62 17466.83 16684.1 9336.18 19348.47 6268.29 576.21 12858.3 12238.9 18071.82 12003.21 10127.28 11286.97 2025.16 1193.79 18090.14 10322.48 746.37 7540.85 9080.76 18594.29 952.83 25959.47 11395.26 2899.2 6377.82 12705.15 19889.02 1870.72 3286.52 12372.4 19928.05 11773.41 3678.99 24536.01 8640.29 12669.47 6615.89 15326.94 4105.26 3678.3 19403.63 14786.71 8502.61 2212.06 8851.39 7940.55 12621.37 2057.53 14326.47 12882.16 492.3 17697.11 6721.4 9826.98 10875.93 16079.07 12461.3 7544.6 8032.71 18831.06 19997.46 19665.06 12339.47 14771 12420.96 12225.98 12787.72 12826.92 12190.74 11956.97 12169.65 NCGC00347377-02_C41H66O14_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose 890.66 745.82 1293.75 1176.1 1310.16 711.09 776.71 2525.5 813.55 6212.47 3236.19 1019.64 351.13 1579.11 1139.87 502.56 1426.63 372.4 1985 1869.42 5471.41 845.92 754.52 443.12 484.85 6110.25 2532.49 1359.78 642.3 963.76 1210.16 588.48 572.42 8210.27 3556.15 10294.79 2793.75 2916.98 2546.99 3267.29 978.34 6307.35 5538.71 3100.55 10592.38 5466.61 738.33 4218.09 8342.22 7410.34 12002.69 7393.63 5973.73 5689.69 11702.49 5118.04 2521.31 3074.59 7202.19 3571.97 4144.05 4468.44 6991.17 2800.57 1609.71 9260.71 1840.82 3531.35 4985.38 2430.17 381.54 5484.87 2995.75 2504.66 3962.96 5391.46 5538.85 5311.15 3997.35 5346.22 5188.98 5045.13 6214.32 5019.23 (4R,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol 2934.14 6346.85 4346.25 2104.45 5411.74 4482.88 3686.23 6316.37 6279.62 1025.82 778.58 1085.84 3215.95 2051.26 6111.12 2983.28 1613.41 3842.29 3486.17 5561.11 4315.85 3298.58 2544.19 2403.45 5874.5 6913.31 2856.21 1977.67 5016.52 980.85 1374.16 658.67 1429.19 3045.32 2076.88 2169.23 4862.58 4926.72 2288.09 4932.8 2101.88 1947.06 4610.02 2868.07 4310.76 3690.62 4620.32 3294.63 3442.71 3935.23 3822.16 2680.49 3863.34 5264.53 673.99 2762.6 1850.06 4700.47 2946.99 4843.05 1903.98 2474.54 2134.72 3752.34 1076.01 1340.28 4451.5 2156 3169.74 1294.86 2769.95 1451.61 2198.97 6194.2 2003.24 3419.05 3120.25 3411.01 3877.05 2204.47 3144.73 3197.34 3189.71 3384.82 1-[[2-[(2-azaniumylacetyl)amino]-4-methylpentanoyl]amino]ethenyl-hydroxyphosphinate 15349.41 14411.98 5626.54 11478.82 18090.97 26895.65 5327.16 11472.56 9535.19 3425.88 6209.67 5125.35 5229.56 817.87 13120.23 3025.5 3751.96 4987.85 11276.88 5950.58 11740.62 23379.37 4940.05 8117.76 6824.97 15963.89 9453.44 4722.28 13700.86 7171.15 13542.54 1454.92 9052.51 12573.19 6238.87 14383.52 12274.44 22378.93 9349.64 4766.22 12725.14 16310.3 14117.71 5827.24 12318.56 6918.57 17194.72 13320.97 8828.1 17366.69 6660.42 7841.4 6747.22 12620.16 6491.61 16804.53 2077.72 7685.8 12049.25 9302.94 6157.85 9671.41 14983.57 2304.71 4254.58 5745.54 16438.78 9830.96 2900.89 16275.04 9223.55 10913.79 8122.16 2324.49 8210.55 8175.86 7053.89 8507.12 4150.66 8272.48 8157.4 8926.55 7619.52 7670.06 Ser-Ala-Val-Thr-Ala 1769.86 5910.54 2457.76 2529.79 977.16 3380.76 3057.6 869.37 850.29 2795.05 4359.8 1110.1 2670.49 2812.73 1956.73 1803.8 966.82 4354.58 985.3 5750.25 2402.63 1000.73 2033.56 1312.13 869.6 1465.57 415.38 1370.65 604.1 354.08 441.1 1449.63 411.15 3107.44 4871.19 1840.99 3826.69 927.06 1466.35 6784.35 1173.25 3031.64 2084.96 7585.15 1923.48 1309.55 1455.16 1849.3 2020.56 1193.35 1776.56 4336.04 4676.43 3423.88 1132.51 4259.69 3582.35 4935.29 1671.92 1451.67 2710.15 1232.54 6414.86 1809.45 1655.76 4342.66 2353.01 3094.93 2624.34 1412.41 1699.38 2798.98 2631.3 1113.19 1128.95 2946.92 2995.97 3306.36 2614.59 3113.98 2984.29 2742.23 2968.22 2477 Dianix Blue 3RLS 3259.53 2363.73 1316.82 503.42 1186.5 1037.41 2699.38 3481.58 1236.22 1855.2 876.44 1229.81 1786.02 1074.44 887 832.22 784.9 1050.74 1256.49 1710.32 1565.98 1946.66 1575.54 2371.55 1313.49 2701.33 2134.47 2357.7 975.5 3097.37 583.21 2025.71 1153.77 534.76 3158.13 778.86 1301.28 2477.91 3270.78 3260.22 1384.55 646.99 3178.73 2667.27 1349.4 3023.87 1033.58 1440.59 2298.78 2273.69 2703.08 1088.51 2015.52 1101.81 3879.03 614.23 750.21 710.95 1941.94 1104.5 3717.86 4437.09 1997.03 1528.44 2104.08 3131.59 796.75 3170.89 1708.22 2867.21 1647.07 2415.74 592.54 2199.52 2326.61 1651.73 1154.6 1718.3 1856.49 1671.6 1877.97 1759.35 1826.04 1649.94 (11-Methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl) hydrogen sulate 1801.1 1479.81 2992.24 2228.23 716.77 591.72 3517.07 1941.96 3022.65 1676 538.04 1356.5 1481.43 759.36 1248.02 732.63 1090.88 1082.99 783.99 1590.23 770.16 2119.08 1706.08 1272.93 744.23 1372.4 1372.43 995.32 1545.01 3151.11 2027.03 5853.33 964.12 1907.86 1921.69 2261.88 2164.69 2010.6 1470.14 2253.89 3097.8 2685.32 3528.62 3850.45 2258.08 5222.12 3635.5 2766.78 1191.62 2282.26 2388.41 2905.92 2342.04 1417.41 1684.51 1749.57 2262.06 5727.43 2017.05 1901.21 2931.9 1552.33 2890.84 5060.21 830.54 1826.61 1275.84 2829.35 2628.79 2661.44 2455.58 4536.95 1946.14 2266.24 3915.03 2251.12 2259.51 2250.98 2178.17 2155.33 2189.01 2179.29 1864.81 2174 2-(4-chloro-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol 608.3 854.32 587.5 1054.48 1993.2 1447.35 1248.79 1236.15 393.09 471.85 2021.61 1467.4 663.77 868.75 1202.13 930.6 698.03 662.99 2203.58 1543.85 1252.42 740.12 583.64 881.96 796.45 1754.88 470.63 495.87 796.69 1960.14 2625.98 1454.61 386.16 1324.42 1447.45 1690.16 493.04 2439.61 578.38 852.16 1618.84 1326.15 393.59 1250.4 637.25 1510.48 879.12 1850.49 1764.27 2085.24 2187.26 1729.15 653.16 1708.35 1222.6 1086.8 897 1780.33 1235.6 1056.54 881.7 390.62 1726.47 920.11 567.06 435.17 1760.28 1167.06 402.71 1433.6 1247.32 1076.41 1018.1 2250.18 2379.24 1435.75 1528.21 1509.07 1412.78 1507.95 1492.62 1504.48 1396.7 1415.17 Phe4Cl-Val-OH 5453.11 2772.74 3903.65 866.25 3787.15 1345.45 5653.59 5352.59 4714.89 4347.11 3753.02 3215.41 3115.47 3777.99 4994.86 1468.11 3659.06 3922.32 3856.67 4946.83 4558.17 3835.63 3216.61 3864.78 695.91 5110.21 5805.23 4172.4 2365.52 6566.12 5826.37 3424.33 3919.43 4239.12 4627.55 4199.16 4598.04 6183.92 3756.09 5552.02 5979.38 8031.32 3117.47 2312.73 4312.84 3865.5 5048.94 5125.62 4539.15 3963.54 4433.2 3861.62 2902.23 4248.04 4102.58 4856.89 2427.34 3975.52 4701.92 5273.96 4267.44 3050.53 4578.5 2600.05 5116.16 4687.31 3361.12 4435.61 5070.67 4984.88 6202.29 4931.43 5127.52 4154.05 4597.11 4717.41 4625.5 4700.63 4566.97 4039.34 4526.42 4726.27 4700.08 4548.89 NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid 1118.73 293.6 263.43 453 628.55 705.74 1368.64 713.02 330.45 326.57 558.82 251.67 8718.64 464.04 350.35 318.85 1858.75 306.32 264.78 589.26 371.45 3354.27 258.82 6841.39 398.4 596.96 265.79 509.08 521.53 752.74 757.72 420.98 6533.57 371.32 1339.84 3397.8 4748.63 1914.7 2167.93 2410.39 5705.73 6128.95 2243.39 1183.93 4806.62 1716.93 6771.39 2026.09 3791.98 4832.29 3832.78 3479.75 1652.77 2171.88 3788.48 3198.54 382.69 596.18 3566.72 904.81 882.59 1160.81 3007.61 1054.46 2739.52 5565.51 5278.5 1676.18 2983.96 3348.78 7404.4 4061.15 2956.05 1055.99 2424.94 4003.4 3858.81 4283.8 3849.02 3972.37 3842.55 3746.62 3837.86 4008.95 Cysteylglycyllysine 1187.51 4033.76 3216.48 2256.82 2493.32 3373.56 801.65 3137.12 4422.64 4873.67 4114.62 3212.62 8284.83 2973.59 3338.9 4149.02 2782.93 1755.94 5383.79 1431.15 1045.12 1921.73 3337.72 2151.06 2070.1 5138.51 884.65 1210.27 2707.34 2263.99 2048.84 7462.79 3400.48 1671.76 3487.15 2664.73 2129.73 1114.51 3029.26 6841.12 2756.68 837.35 10001.4 7049.69 2977.55 3478.28 3035.7 4651.52 3496.68 5233.83 2560.34 3896.91 6649.68 5396.47 856.73 2599.19 1883.91 4456.55 3448.27 2350.04 3930.6 1202.36 1421.5 6043.47 3645.77 1554.59 3299.33 5593.6 2714.76 2687.52 3963.63 2450.21 6266.85 8883.49 2794.07 1915.15 1804.56 1693.56 1923.87 1689.06 1924.41 1885.52 1912.62 1790.35 2alpha-[(2alpha-Pentylcyclopropan-1beta-yl)methyl]cyclopropane-1beta-octanoic acid methyl ester 6320.58 6522.77 960.83 2859.81 7940.87 9231.16 4069.23 6639.12 9473.88 2787.78 1116.25 2936.74 1851.75 954.02 5634.71 5178.71 2051.75 4458.34 2066.95 2913.85 5452.55 5291.52 2163.69 466.5 4221.33 5559.24 3440.07 2632.8 5895.07 3390.21 1992.39 3525.72 1407.71 3315.07 3445.68 5978.48 6560.29 3026.79 1626.64 2888 5910.6 5954.81 2902.96 2319.31 3802.87 6595.43 3766.71 8236.13 511.25 4463.85 4379.25 3773.26 2947.34 1600.84 4352.01 4733.77 1336.74 538.11 4648.36 6898.78 4228.47 5224.01 3553.55 2912.07 3206.66 5873.93 5584.25 4679.87 6248.67 5651.77 8248.4 5806.53 850.13 1462.78 2778.52 4603.01 4256.1 4822.62 4865.2 4829.84 4548.69 4848.39 4522.54 5128.16 Pro-Asn-Asp 2039.22 3203.02 1322.39 1558.35 612.54 1071.6 2085.06 2158.07 3766.61 1553.54 1982.66 659.68 1475.8 411.78 1082.57 1755.71 1787.35 561.81 2889.46 2990.45 3324 2669.41 1604 1490.69 560.98 1267.94 763.58 1405.43 841.37 1845.17 7573.54 2126.96 1608.93 1304.63 2141.26 1360.44 1588.28 1686.58 1225.67 914.51 2496.34 1185.98 415.59 1266.87 2425.73 1134.93 2036.03 1574.77 552.33 1545.9 723.64 2801.39 1433.94 472.99 1463.1 4207.23 734.57 1466.04 1662.59 2013.06 963.97 465.43 1880.91 730.68 553.27 1623.44 1086.87 875.21 1054.78 440.56 1551.46 3302.89 1222.81 1657 1359.17 2502.48 2279.57 2456.59 2501.9 2505.18 2475.05 2316.12 1132.75 2103.02 Enalaprilat butyl tert-butyl diester 3435.63 3289.94 1931.32 822.75 2605.66 3592.99 809.79 3549.67 4607.86 2217.63 1837.5 2746.57 2153.21 1660.05 2300.26 1440.16 12159.11 2421.57 2510.88 4485.31 3582.74 2906.57 1576.26 2500.29 3645.97 1841.83 897.13 2174.34 3667.55 1187.23 4914.2 2280.28 1733.39 2215.34 1012.8 4087.28 3640 3533.69 1747.95 1552.16 4888.94 5296.05 1800.97 1390.38 2453.01 1145.2 3568.33 2946.58 833.84 2063.99 2314.77 2909.82 2452.3 2685.55 2176.9 2187.45 1346 1229.13 3111.94 2149.51 1072.04 774.77 1962.31 923.53 1166.56 3709.67 4108.93 2933.06 1716.85 2885.31 3659.03 1446.71 1943.26 2236.35 2350.15 2703.91 2743.49 2613.64 2757.68 2718.67 2745.14 2759.48 2696.06 2846.16 3-(β-D-Galactopyranosyloxy)-2-hydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate 11622.38 23883.69 14351.72 20078.65 17032.05 13170.58 26560.83 30223.63 28967.82 20186.16 11412.85 4406.72 18229.01 18171.37 9202.79 23422.81 21444.18 14450.94 28772.88 19151.75 21430.48 14795.5 24965.3 18785.96 21545.92 25236.98 3704.52 28666.61 25888.51 21871.61 18045.91 27470.05 19683.5 27872.97 17390.35 24424.08 21824.43 23237.05 14597.04 20632.27 19752.74 22585.26 10409.58 21406.99 21261.33 19318.29 22847.23 25723.8 13513.76 32912.44 18237.82 5128.8 7915.13 22648.66 7305.84 19884.78 1588.25 1222.13 18007.28 16312.2 20103.63 18300.19 26088.51 17532.39 14336.53 17760 21418.96 14388.42 17581.01 23227.24 25118.37 22819.99 2037.55 16268.8 23272.08 15219.98 13763.95 8900.77 14969.12 14636.59 13906.25 13510.15 13804.82 14716.62 Serylcysteyllysine 3117.91 4473.68 4065.52 2202.81 3629.13 1021.67 3165.75 6616.06 4208.47 5738.33 5155.88 3319.53 1763.15 4157.48 4202.85 2609.09 1883.83 2667.38 9339.2 3747.12 3370.58 7914.07 4288.06 4060.21 5697.76 3874.96 4861.29 5001.22 5696.29 746.29 1759.76 6269.87 1203.19 5527.56 4723.77 5556.75 7637.54 1222.24 5619.48 3904.74 1176.16 3894.83 5319.11 3836.55 3804.79 2618.74 5384.2 2135.51 8431.26 2260.59 5910.57 6068.87 6629.44 5182.66 6862.37 4001.77 891.67 4102.73 4117.19 692.25 2496.05 4498.94 5866.05 6799.25 1313.85 1512.85 3018.58 4946.01 647.25 6379.16 3674.03 5870.83 4184.87 2769 6170.6 4902.41 4993.89 5116.87 5443.58 5417.84 4869.3 3642.19 4713.48 5167.39 Z-Asp(OMe)-Glu(OMe)-Val-DL-Asp(OMe)-FMK 19771.07 23468.13 4070.72 661.31 23186.02 18209.5 12905.34 33683.43 43605.53 13501.68 6487.82 2087.22 1497.76 613.41 28317.33 1801.75 5580.81 1331.69 14156.01 24012.37 43143.07 1343.52 2827.92 541.85 33730.06 2020.75 981.44 1056.47 1701.11 4874.23 15704.8 3171.93 1400.35 3737.69 1332.39 4953.02 34720.19 31512.28 1757.5 1196.32 17688.7 51045.08 1681.07 1894.56 12996.25 12491.42 11869.69 4791.99 949.1 5636.04 13966.03 50526.58 1919.34 3135.93 14536.25 13207.41 1009.53 1097.5 52176.34 26401.37 3051.82 5007.67 32598.23 2781.95 3127.06 30382.72 65409.63 1443.2 3144.62 34530.39 77856.37 16826.51 7733.29 4038.29 3335.3 15136.46 15854.45 15698.85 15456.62 16722.18 15879.13 14864.43 13249.5 15784.83 (2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 2960.91 6382.19 3750.43 3974.75 4099.1 8789.6 5606.4 9450.2 5305.4 4003.28 3899.45 894.33 789.81 4100.62 7971.3 959.47 6353.68 4526.33 6625.42 18276.45 22612.08 17143.24 4948.96 1306.02 12349.56 1928.23 5532.24 5360.94 10519.39 4709.85 18077.05 444.73 7633.15 3154.84 2367.62 9974.57 14868.07 11708.17 1341.08 1962.41 5322.88 7547.26 4441.49 2930.3 2042.77 2291.61 17239.4 4074.68 3267.88 11472.57 12252.86 5260.31 8875 6909.03 5112.21 20581.33 5186.64 6565.38 6941.26 7349.75 5742.1 1611.6 3205.06 4116.1 3893.56 7021.29 5697.69 1842.42 1019.36 5331.1 18354.76 3705.43 8208.6 1574.08 2991.17 6501.62 6071.15 6807.3 5014.71 6233.5 6601.4 5756.68 2939.28 6945.88 IGPLGLSPK/1_0 1998.65 1785.11 1896.53 846.9 3689.55 4662.34 13527.02 1746.47 4972.91 4544.13 5094.36 827.55 785.61 1863.79 856.64 808.4 1575.33 2061.93 890.49 1063.66 2079.99 1112.44 949.62 2714.14 529.3 1045.67 4762.6 2266.81 4105.99 1547.24 1985.45 4389.69 748.18 6647.76 5116.07 11595.44 9348.46 8780.64 9171.65 8177.32 5794.6 7508.77 9461.85 9283.44 12583.61 5631.58 10620.54 5184.48 10231.11 2968.05 2555.92 2435.09 4813.4 3217.61 5776.78 6299.88 2901.65 4675.14 3615.98 6850.23 4645.09 6858.58 6845.45 4201.4 5721.74 15007.75 6880.47 10646.16 8267.69 8851.63 8474.86 5949.09 8096.23 34263.56 3948.01 4999.57 5264.27 5048.05 5546.23 5271.18 5280.52 5293.82 5147.7 4496.12 (3S,4S,5S,6R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 1095.75 839.58 727.46 445 1627.98 3706.6 1708.52 642.32 1330.43 293.03 2522.21 1233.92 1449.34 1486.59 510.59 864.14 1136.94 1227.12 1154.4 1657.12 1108.42 689.56 1342.03 1099.24 326.73 732.5 897.15 1157.96 2068 542.62 1006.1 2404.18 609.97 6050.26 2804.07 2895.57 2230.41 1348.68 6377.58 2348.34 2836.66 7153.21 5029.46 4525.7 8297.54 2770.75 528.56 663.43 15264.25 5521.54 10278.26 3029.26 4184.35 3031.3 4054.31 1729.78 2138.26 884.77 1926.48 210.88 2949.8 6528.27 4080.84 1467.67 282.09 5305.49 2599.47 7506.41 1541.8 3759.42 6684.03 7198.07 20990.07 34571 2391.27 5136.8 5610.16 5543.48 5665.66 5988.1 6048.79 6630.27 5920.45 5378.17 Ac-Lys-(NMe)Leu-Val-(NMe)Phe-Phe-NH2 1516.58 2305.3 1134.1 5275.41 2971.11 2175.45 2268.34 2488.22 1537.15 964.02 1909.48 2544.92 1721 2845.34 2791.57 6674.66 1135.22 2425.29 4763.79 4091.58 1963.73 2348 3435.39 3233.26 2533.32 1894.53 2408.45 630.83 1746.27 2477.86 1369.44 3380.18 1430.17 1016.94 4116.43 824.45 5108.71 811.79 929.57 2367.93 3395.15 3689.44 690.62 2968.07 4330.66 1222.41 1980.48 3067.71 2355.33 1514.6 4930.43 2743.37 1683.05 2965.06 2209.92 2759.1 3967.99 306.23 2592.43 1572.03 2331.17 1473.15 1198.75 5515.98 402.16 9269.16 23886.96 465.61 1778.32 1299.81 1684.68 2366.45 1881.66 696.81 1178.63 4277.44 4667.59 3954.34 4367.53 4644.39 4728.38 4963.78 4273.88 4668.4 (R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate 1300.43 532.11 900.21 339.56 1993.19 2860.48 3026.4 390.3 698.49 417.34 1106.98 484.7 327.86 930.32 1235.02 1395.34 770.97 380.26 767.7 844.87 564.19 1467.76 465.71 880.68 725.82 610.15 637.57 445.13 413.37 338.28 406.67 303.95 1057.83 624.21 1163.03 729.01 387.73 625.39 956.33 1099.57 929.85 719.47 423.22 725.22 948.24 1157.46 787.4 368.38 780.01 1269.07 1147.78 407.58 1089.72 899.7 356.69 873.94 837.45 711.46 741.91 1657.25 656.37 666.65 451.88 841.61 687.2 626.86 717.41 359.07 537.61 398.54 383.77 1025.72 1719.26 940.69 663.28 1267.27 1250.14 1283.81 1201.37 1267.03 1283.58 1369.66 1254.29 1248.55 Ala-Phe-Tyr-Arg 1219.14 3872.31 1335.27 1602.13 3766.97 5548.02 642.3 3471.84 5310.26 803.05 924.23 4196.18 1039.25 2762.56 861.3 1658.15 1077.31 1983.06 2706.39 8445.94 4409.19 1367.69 562.19 537.35 6885.2 2116.45 914.62 3887.06 710.89 595.15 5836.29 3724.39 2429.47 1320.98 1079.96 3493.44 1556 1728.33 582.74 811.71 7176.13 6099.43 634.76 750.45 7983.64 445.31 3213.09 850.6 781.48 649.17 929.94 1594.44 424.56 1167.85 1246.87 921.05 636.27 654.72 1120.65 1554.92 773.41 922.95 532.75 415.4 952.77 5061.01 6233.97 1465.12 368.77 852.52 1858.81 1807.13 428.17 1378.47 1213.46 1652.92 1551.6 2007.71 1803.69 1570.08 1564.37 1526.77 1840.31 1650.81 (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide 1193.09 1437.14 3999.56 1210.09 2037.82 850.46 515.19 4466.52 4283.68 2273.48 948.5 1508.43 761.32 1479.9 3780.28 2535 1049.92 3185.97 3524.04 5135.37 1240.34 1149.65 913.29 1086.37 4227.33 4947.97 3801.13 1132.85 2804.44 597.12 1162.7 2135.69 4243.22 410.14 1578.65 2869.83 2602.37 1769.72 1099.06 3366.3 493.94 3156.74 2666.53 2427.52 941.68 2200.83 3128.62 1667.01 1154.42 1491.99 2639.29 1656.61 4057.36 3799.07 1293.12 2212.98 1670.22 3087.69 2704.08 2459.9 748.21 1519.6 3673.12 4229.33 4979.19 2970.08 1200.75 859.56 1984.22 4121.97 7561.76 1336.06 2835.62 5005.66 1005.48 3511.14 3015.81 3043.79 3156.54 3132.42 3009.41 3054.63 3150.26 3092.32 (2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate 2483.86 2383.47 3262.45 4199.28 1966.85 1935.9 1474.1 1506.4 1001.42 958.56 1943.44 1166.69 2561.36 1766.43 1452.91 1740.4 995.36 1120.24 2368.48 1572.52 698.03 896.6 1508.32 2738.67 2646.03 866.14 3278.45 3079.63 2018.28 1629.97 2001.73 3655.02 770.34 2314.09 2434.22 2445.15 1191.53 823.4 2252.37 2315.17 1359.35 1151.05 2286.23 1213.73 1080.53 2156.34 1368.74 2495.97 811.8 3313.25 1237.39 935.48 2399.55 1820.6 729.27 549.03 1221.87 1006.54 1055.33 1398.53 1099.91 1458.28 1048.91 1340.01 1622.81 909.77 773.18 1018.15 2323.48 1201.53 558.79 2122.47 2045.73 2252.29 2507.33 1439.55 1409.24 1489.84 1402.19 1450.7 1365.22 1445.96 1459.68 1314.07 (2R,3R,6R)-1,2-Dimethyl-3-methoxy-6-[(1E,3E,5E)-1,3,5-decatrienyl]piperidine 9057.58 7488.83 9907.2 5671.93 10169.67 3744.19 7305.85 8036.15 23762.09 5469.6 6752.78 5834.19 5744.75 13221.8 8535.94 5524.02 2625.95 6838.19 7665.06 16497.81 4463.17 6665.56 7997.53 7419.05 4950.37 11784.17 8502.83 5331.6 22840.88 21175.72 7464.42 6476.6 6929.58 9422.63 7025.39 8449.46 14082.83 5344.17 5488.14 5997.47 4990.12 3513.34 8643 7091.35 5748.47 2669.39 5643.08 7478.41 12782.29 5331.54 3643.16 5323.01 8181.19 6176.02 4649.55 7312.59 2299.38 2924.68 4221.77 5337.9 6016.98 3617.48 2709.19 5049.38 3418.27 4149.15 2760.09 4489.28 5939.51 4339.83 3480.02 2692.41 3996.11 5126.37 3226.13 5111.01 5076.27 4976.2 5202.84 4208 4920.26 5031.7 4930.82 4931.37 [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-(3,4-dimethyl-5-pentylfuran-2-yl)propanoate 2252.35 2804.83 2704.41 4578.27 1138.68 1500.77 3417.05 4789.83 754.78 3170.1 1109.98 2290.35 562.76 1173.85 2085.52 3164.86 2708.64 2474.65 3124.52 2450.47 4431.4 13566.85 3352.35 1644.58 9278.37 3173.97 3163.61 1092.66 791.24 4562.83 4137.62 1903.12 583.61 6954.63 2429.86 5004.76 2248.85 4845.1 3210.92 1096.43 3077.22 7703.68 2757.03 4073.83 6607.07 6358.13 3698.84 1117.2 1761.21 3326.43 4891.01 3851.06 2722.19 2896.57 4902.13 1388.76 588.71 630.07 2385.31 926.7 2364.23 2480.15 3980.09 3277.97 1503.86 3988.48 3985.64 3110.53 3464.06 1783.09 4103.94 1626.5 1428.65 3791 3891.8 5445.24 4991.7 5293.93 5168.96 5168.47 5006.39 3927.71 4882.06 5046.78 Ncgc00380159-01_C33H52O13_ 727.84 1148.04 672.62 1204.87 476.72 3672.96 1054.43 1142.37 2029.22 2800.66 461.88 731.14 1582.35 1050.83 729.28 1372.06 2419.62 927.34 1945.82 627.22 610.82 2914.63 1705.44 592.93 503.12 694.43 1068.38 405.86 571.38 740.53 1092.55 386.69 1010.11 1591.02 2104.84 439.38 475.7 1024.39 3091.35 1928.5 655.65 1940.24 2562.96 1179.71 1061.8 2215.33 2165.71 931.63 938.02 935.08 1183.73 985.44 941.98 555.24 3099.55 563.92 2398.06 1915.88 2075.28 1391.5 2362.98 2610.87 2090.18 1816.58 1739.19 492.8 634.62 1554.74 758.76 415.15 1532.42 642.5 1848.5 1134.76 1271.34 1430.14 983.91 1439.17 1606.66 1569.48 1589.48 1584.42 1460.6 1582.35 Val-Glu-Ser-Lys 9364.93 9623.75 4717.14 5080.7 1003.51 5882.46 1762.01 8218.97 4253.86 7530.35 9284.22 3985.72 6053.79 6194.91 3518.92 2138.6 5994.77 3027.44 3163.8 1967.97 4074.12 1655.58 5515.34 4505.05 5869.16 3323.33 3649.03 7299.75 2571.58 2594.94 3481.04 2191.75 6884.94 8403.01 9781.03 4434.41 7317.98 1700.14 2905.94 8159.95 437.63 4288.7 7252.77 11263.47 2770.09 1901.84 4183.31 3849.52 3957.06 1612.37 3998.79 9347 7245.52 3572.77 4263.91 7152.08 12009.46 12582.75 8957.42 2785.53 10263.64 2854.64 14378.16 5568.88 3659.31 4170.84 3147.91 6587.85 4740.43 5960.34 4753.64 2011.63 10307.25 7398.59 5296.44 5313.14 5246.47 3767.73 5344.01 5381.78 5809.27 5838.37 5856.41 5735.59 8-Nonenoylglycine 694.21 1738.1 3206.8 2503.96 1544.77 1731.22 829.59 2145.32 2275.47 1570.6 542.59 2471.81 7527.33 2722.35 1238.32 644.22 720.57 831.27 1593.67 1991.75 1131.74 1022.82 1788.05 2045.54 429.4 1291.84 2409.82 478.17 1709.06 2239.5 581.23 1753.49 2296.04 1724.01 419.05 1427.84 741.28 1428.63 1463.71 2079.05 1593.52 1511.49 1227.13 3436.23 497.03 2925.45 1031.27 1080.22 4132.78 2047.42 852.76 2628.42 528.96 641.67 2810.04 1760.2 3940.16 947.65 420.65 2434.81 2703.35 1226.06 2202.32 2237.11 1313.56 2731.24 1942.29 2202.37 1529.66 1196.11 527.45 1955.92 1393.44 1679.8 1920.97 1998.46 1965.89 1506.27 2076.36 1934.35 2023.98 1921.76 2064.05 2523.91 Abu-Val-OH 28938.59 34433.55 11860.52 15801.39 32376.5 31701.81 12924.3 33665.04 19664.7 13273.29 16417.54 13484.51 18817.27 13264.03 35498.28 7831.37 7828.17 29347.86 24694.78 41714.74 31343.45 25495.31 14563.14 16165.83 33775.53 45666.5 22775.67 24037.96 38025.13 13139.31 2879.36 39043.45 6600.65 23606.22 16837.21 30778.04 36759.48 16054.41 19384.45 19990.97 27958.57 26527.14 20444.99 19898.61 9340.81 17755.42 32808.24 26778.29 19967.13 32873.94 18284.03 32594.28 20613.77 25455.22 10667.14 3972.51 14558.84 15763.58 26063.16 20106.69 16998.84 15682.71 2080.14 16827.09 15141.42 33070.05 42665.29 21226.48 21797.49 6830.14 31200.49 7219.87 20031.93 14432.22 17575.57 16683.85 20124.74 17563.75 20982.88 19060.24 20695.96 20289.74 21678.36 20560.62 Ala-Nap-OH 2803.56 1190.14 544.54 1809.25 939.73 503.9 2744.57 2263.11 5312.57 2888.5 2320.6 5252.01 1410.7 1240.58 1721.48 7166.39 1317.71 1942.15 1489.51 2822.59 2281.83 938.98 1586.38 2095.28 2973.07 1665.51 2993.1 3558.7 2511.58 3768.93 1719.9 4944.24 958.2 3326.06 2978.51 1575.04 1276.63 621.9 2944.56 1795.85 2616.95 3249.66 2070.44 3595.28 3017.73 3518.5 2246.44 4645.62 3486.46 5118.32 1057.85 384.5 3145.63 5008.59 477.42 686.84 1229.75 516.45 1124.03 516.56 2198.7 751.61 629.61 1283.82 1850.83 542.66 2304.84 4759.76 4481.27 1970.06 2674.22 2675.29 1644.8 1197.63 3098.67 2456.1 2770.43 2542.67 2695.36 2475.39 2491.19 2668.54 2016.42 2702.14 Ser-Ile-Phe-Glu 8542.06 4601.84 5083.9 651.14 4410.7 7265.41 7189.83 2019.05 8525.91 6808.43 558.37 7602 5979.45 2419.12 7718.18 7914.38 7874.1 5624.35 7966.73 2537.91 9085.02 4757.7 5809.93 705.74 666.65 1573.94 9239.9 1892.53 6793.76 4420.08 7443.06 4721.3 1371.51 6133.3 7462.39 6760.44 7995.98 5058.53 7307.99 4648.9 9140.67 7814.85 8619.32 5661.92 7758.07 9852.86 10355.85 6461.67 6820.62 6311.82 7295.99 6499.8 7110.9 7170.7 7352.26 5580.4 5864.34 6408.53 9279.33 7416.44 8689.94 8035.92 5746.39 7517.92 6578.72 5008.5 7544.92 9685.77 6727.98 9523.58 8208.57 6972.86 6922.36 7535.21 9604.07 5962.02 6916.02 6686.48 6926.48 6661.53 6665.02 7406.58 6826.68 6932.79 (2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol 1199.63 1862.55 3331.89 1002.96 2773.12 4370.32 1707.03 2364.96 1994.09 4700.92 4393.85 2221.45 2233.34 3542.47 2397.46 1271.92 2374.67 2295.8 4579.67 2899.1 4055.94 2143 3515.78 3863.26 635.88 493.4 1746.35 2338.24 4586.96 1095.18 1367.27 1693.41 1398.57 2052.91 4784.06 1391.66 1778.2 3260.3 3184.69 3224.02 773.78 1830.88 5621.04 4092.1 2192.35 1356.52 2705.28 2334.24 2324.18 2854.84 727.02 2170.3 3193.95 2211.58 2508.79 5021.68 2545.8 1229.83 1518.16 1088.14 3135.92 629.07 576.34 4786.3 791.66 1782.57 651.91 2305.33 4664.81 5963.19 486.94 1990.26 4091.25 2205.28 4378.85 3414.96 3649.68 3473.65 2792.41 3909.11 3685.2 3750.28 3663.08 3407.56 Ala-Gly-Asp-Glu-Ser 2483.24 9300.35 15325.67 6337.92 2302.49 9960.57 6079.6 2485.32 2952.55 8280.69 1117.98 3373.83 9563.63 3501.15 2824.06 3702.91 1974.24 994.99 1370.23 1601.61 2298.07 11782.26 5690.38 6063.35 2716.18 3739.32 2569.66 3683.63 1506.11 2258.13 1861.83 3103.67 2853.04 1182.36 5863.94 912.97 1228.99 15473.56 3754.8 4360.08 509.91 2289.49 2204.4 890.35 848.5 6712.97 2282.75 7416.42 2583.47 4495.26 1871.17 9437.74 1089.11 2010.84 645.58 14743.86 8743.1 10678.86 2635.94 19576.35 2518.28 6797.04 2685.81 675.4 1219.99 1275.6 1878.2 3937.48 3802.01 968.1 2381.03 3264.44 4042.29 14486.31 798.97 2980.67 2055.53 3323.77 2615.51 2861.41 2799.42 2824.22 2722.52 2910.65 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate 830.64 2006.25 1386.58 3067.29 2545.02 934.99 3422.84 3891.17 4448.63 4213.1 2175.51 2103.49 1896.12 2595.83 2160.1 2832.38 2040.17 632.13 2209.69 2090.51 1267.87 2074.78 3375.89 2195.28 2435.26 1883.97 2349.63 2236 2770.08 1290.08 1311.06 8678.83 4444.56 4731.91 3791.29 3304.08 1193.15 460.34 813.76 1440.44 3312.06 3887.23 2609.2 1308.06 610.88 1396.38 4436.18 3006.45 3462.27 3293.27 4597.9 2762.74 2556.02 3772.82 1751.27 564.84 1766.31 1579.98 1827.91 1242.6 1173.05 1743.62 1520.41 2402.88 2028.33 1943.3 3229.14 3762.82 1814.84 671.67 1413.28 2771.98 3525.81 2414.55 1775.16 2569.67 2644.84 2702.69 2088.53 2647.08 2600.98 2565.91 2635.58 2652.64 (2R)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxypentanedioate 4554.68 4078.72 678.83 2368.95 918.3 1041.25 1837.32 531.25 2283.36 920.29 788.25 663.14 491.66 2380.66 3927.78 2291.87 493.07 2255.2 582.44 1909.89 917.21 2751.54 2146.51 1154.97 7413.76 3006.69 5173.31 5826.2 2206.16 592.34 829.07 2589.4 1908.39 2753.43 3354.9 3445.57 1334.92 4641.81 2328.89 2811 3028.95 2259.14 2274.81 1657.31 2136.12 2697.37 2327.45 1954.71 2292.77 2368.1 2948.88 1798.88 615.04 2595.96 1810.59 4395.07 1620.36 3534.49 4148.43 3311.91 3628.93 1816.22 3504.63 2039.11 2273.99 2704.11 5706.05 3330.08 1954.02 3639.65 2511.74 3357.1 3253.49 3307.15 1206.12 2502.75 2312.72 2465.13 2469.14 2453.14 2348.91 2425.47 2919.16 2125.17 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-docosanoyl-sn-glycerol 1638.67 2032.71 1746.3 1609.78 2860.04 1420.36 3383.69 4743.73 2992.12 2360.72 4056.77 3297.73 2966.17 2155.18 5693.99 2784.39 3094.06 3219.22 2692.68 1925.35 2868.39 2077.23 2264.65 2367.67 2301.31 2120.72 2327.97 2491.91 2141.94 2628.88 1589.77 2425.36 2000.8 4764.78 5857.95 2595.49 2949.72 2360.5 2497.33 7025.58 3204.76 3115.51 3881.76 2029.59 1565.26 1886.07 3671.96 14357.16 497.06 2577.19 1403.51 2806.61 2309.07 2931.16 3845.32 6866.82 5842.97 5153.48 4536.4 8019.3 2985.41 3096.28 3689.16 5465.49 6646.7 3151.15 4914.97 2651.79 4256.13 4930.32 6973.51 2844.16 2646.06 6107.79 4435.56 3848.86 3675.82 3693.68 3597.49 3651.02 3600.06 3501.97 3671.1 3692.69 (1R,16Z,24E,26E,28Z)-12-[1-(3,4-dihydroxycyclohexyl)propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone 709.36 431.95 11321.35 12815.17 723.61 23439.69 5678.97 2217.93 989.61 3321.4 8921.94 2153.44 1029.53 11915.66 12238.91 13531.57 10744.71 1498.55 1212.18 13262.42 440.24 12718.73 9704.42 1166.65 528.14 474.21 11019.87 564.71 677.98 10655.9 11684.48 425.98 10340.61 3072.36 1101.39 6207.78 1857.59 2941.04 1203.29 1247.62 5622.16 2728.33 1669.72 1231.09 4152.67 2664.31 5252.77 3530.97 4416.57 6366.69 3313.6 1960.06 1694.42 1902.7 1110.7 2056.9 1058.97 1400.51 3007.83 2336.92 1731.27 1096.57 1402.83 1825.98 947.28 1863.73 2276.35 1597.69 1456.34 1874.85 3001.46 3499.4 2819.99 2957.14 2383.07 3542.93 3469.61 3474.16 3544.72 3709.63 3355.16 3493.59 3463.4 3547.74 TyrMe-Asp-OH 17765.38 14650.91 20085.91 17257.45 19168.82 8196.41 13393.34 20622.27 18073.06 14761.96 6106.21 9751.56 13479.22 16584.78 13599.99 14815.99 11967.72 14435 11585.87 9455.14 17060.62 6570.63 10238.73 17978.34 17505.87 13752.48 16465.18 18508.14 14920.47 8880.61 10944.15 13921.5 7636.56 17234.27 17086.78 17037.5 13452.22 6829.95 15617.98 11282.05 8997 10292.71 16116.59 15362.83 14079.07 12768.56 13371.19 14610.33 9583.16 11358.15 12028.05 13572.35 14090.28 13444.56 12174.77 14352.44 14785.63 12740.13 12943.58 8662.92 15940.68 13342.5 15467.29 16190.62 14407.1 13544.45 11713.1 16512.78 12884.33 19951.54 13673.01 11092.52 9602.29 11885.41 15810.43 13637.74 13800.1 13768.05 13765.55 13593.52 14036.31 13638.31 13770.17 13420.89 Diphenylphosphine isopropyl ester 4263.13 1170.12 13203.16 1425.54 1330.15 23970.45 2307.04 1143.35 12982.41 7180.57 2881.85 6230.03 3583.88 7279.55 8558.27 8559.49 2627.52 7842.97 804.66 14821.59 12419.85 5461.66 2912.11 2839.58 2068.52 14871.22 2674.24 4205.25 16400.93 2167.33 11090.74 13339.19 9543.27 9355.47 2578.95 13895.38 5642.05 12697.48 2102.86 1667.15 9401.12 14043.29 5334.57 1176.15 11082.09 3606.32 15589.93 2359.36 6129.32 6022.18 11474.9 9420.7 4821.01 2660.78 1543.4 15452.04 1973.29 1065.52 9502.23 2339.88 5914.5 4920.27 5824.2 3434.4 7534.6 10563.96 15298.57 5495.72 4793.89 12989.28 6250.55 3748.64 3892.47 4646.44 2240.11 7596.55 8224.03 7804.68 7696.03 8310.89 7657.96 7718.45 5252.99 8220.13 Telon Yellow 4R 878.11 1013.16 313.29 623.91 1075.64 100.51 143.35 92.7 104.82 75.83 554.24 1051.01 462.51 416.59 467.38 457.3 335.47 499.3 85.65 619.59 982.83 829.7 366.99 297.52 654.27 660.39 357.03 366.72 563.01 399.85 3758.57 1870 547.73 279.2 190.47 281.24 113.63 397.02 166.24 65.52 2997.63 1700.15 136.59 218.87 1310.11 68.19 206.13 206.41 166.01 4267.08 1870.43 176.81 225.89 409.08 113.38 603.98 77.52 126.66 143.31 1055.59 631.94 119.83 110.84 103.13 163.91 218.68 594.22 167.16 189.01 672.98 878.77 210.89 127.06 145.34 194.13 3368.66 3151.94 3230.78 3238.79 3338.36 3686.49 3355.95 3245.78 3359.29 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 409.52 1273.69 931.56 941.28 5382.14 1392.35 8169.59 927.52 833.59 655.37 687.73 329.9 486.41 566.5 340.9 1434.79 862.53 349.16 457.73 558.32 990.78 1094.4 1338.32 464.96 3169.62 602.03 1155.36 599.46 409.86 234.69 862.18 640.06 638.82 2563.93 4739.12 1841.91 1346.67 638.3 395.65 2614.8 6516.63 2744.04 1530.44 3102.14 897.41 5200.75 4403.81 1590.85 702.67 3193.77 3374.1 1244.76 1990.67 2127.3 2719.55 3615.63 5316.03 1446.01 1051.85 4951.19 1774.84 933.21 4412.35 3286.41 1015.79 5291.35 1742.86 3274.16 1036.77 1413.05 816.73 657.1 542.36 2489.25 1962.9 4496.28 3467.75 4495.44 4685.81 4706 4392.45 4688.48 4980.03 4720.05 Phe-Tyr-Ser-Lys 733.17 530.44 510.27 701.22 600.09 1213.93 7221.94 339.12 1803.26 383.19 999.7 641.46 392.47 686.65 545.82 571.6 813.16 787.61 478.49 1048.99 379 705.56 301.64 476.59 561.19 490.9 688.74 458.6 629.75 955.93 667.71 993.02 757.21 580.98 629.85 553.08 1376.14 910.25 397.5 968.57 776.17 991.35 931.48 704.05 512.13 984.34 611.61 1387.27 475.36 550.89 1225.05 571.19 1258.36 712.8 760.58 579.83 379.43 1598.26 421.04 1677.18 1242.44 427.61 551.76 1196.33 1495.77 698.09 800.51 1450.24 1423.46 1703.82 1090.03 2016.74 622.16 800.04 587.64 1275.74 1193.15 1304.6 1175.53 1005.76 1205.75 1286.76 1134.52 1292.13 4-azaniumyl-5,6-dihydroxy-2-oxo-7-phosphonatooxyheptanoate 8313.18 5819.45 11366.13 20807.16 12994.79 13959.79 25526.09 10524.31 7936.72 11081.1 9301.66 13545.74 21176.08 21272.33 7004.84 14840.22 16856.34 9281.88 21274.92 9042.67 9534.72 22932.1 22008.92 18416.78 10024.11 9648.77 16048.82 12041.95 12444.77 16194.53 8411.29 33025.68 8107.75 20800.11 22669.81 8993.12 7800.86 7972.09 17457.33 11130.5 17749.5 16471.56 20784.13 22527.91 12690.03 22824.97 7192.11 13981.37 10495.94 12743.48 9770.5 7540.98 21391.23 20463.97 18357.03 9359.78 21821.08 23679.65 9795.8 14999.85 15231.3 16063.51 8984.28 23336.48 12080.04 12068.95 6469.15 14427.44 10623.85 9038 7570.38 23455.03 11702.89 19474.01 24523.95 17841.13 18365.32 17753.18 17963.1 17267.84 17822.91 17958.54 17791.3 17960.24 Met-Phe-Thr-Glu-Asp 30896.94 22272.68 4157.1 10075.12 26624.49 20594.42 15873.44 35798.24 42349.24 31488.26 15191.01 23094.81 12626.18 18407.36 26854.24 24178.54 14787.56 25380.11 25690.67 40661.15 34239.86 860.03 8226.51 15223.37 33340.83 28091.29 20598.62 27138.68 34048.7 30672.56 32653.99 585.36 21575.33 10456.14 7234.91 42101.51 35404.28 16891.55 19233.2 23015.61 47161.57 35411.6 10363.14 17090.13 33301.08 17108.72 39011.01 23751.41 34117.52 27624.28 28680.2 15995.43 9976.76 14376.18 29349.7 18349.24 3337.64 1421.11 29905.46 8439.69 8763.73 5804.69 19863.67 13289.27 22450.31 32076.84 32849.31 30311.08 36780.13 38015.98 41135.56 28279.39 34331.9 12273.4 18908.14 31407.67 31135.71 31412.56 31481.39 31416.88 31124.09 31130.8 30443.75 31419.01 Janthielamide 1814.32 2320.12 801.67 1874.12 1501.75 792.03 1607.21 1382.54 550.94 347.07 1436.51 1173.49 3390.89 1515.55 552.49 1189.74 834.53 599.93 489.93 736.97 4139.53 1062.17 1107.6 2201.63 1053.51 633.18 1877.04 1114.4 667.47 1378.99 801.93 486.27 2570.32 1296.09 938.75 1199.08 1846.31 845.79 2691.02 585.95 426.84 2128.28 1686.92 1023.43 1050.72 1354.92 1993.78 1478.24 469.57 1278.35 384.74 957.67 356.84 2179.14 1593.92 1272.85 823.57 823.06 1199 3391.44 3237.15 4575.78 948.76 2397.69 1093.87 2332.47 882.52 2691.43 958.03 986.13 1588.72 1186.11 638.13 1674.1 1602.66 1836.84 1684.37 1449.3 1897.15 1757.98 1672.2 2013.79 1918.94 1396.42 Chicago blue 441.49 917.74 1014.5 446.09 699.06 427.52 381.04 616.07 977.4 1834.08 270.33 509.72 733.92 874.82 370.49 427.02 638.27 469.86 736.18 445.66 799.46 451.75 739 1097.64 767.46 451.88 581.85 401.05 484.56 1425.89 654.77 801 555.83 2945.86 2896.82 3710.57 2742.35 383.43 2187.81 544.13 431.92 1602.7 2402.68 1643.33 2230.81 1318.34 3065.84 2989.99 651.27 1916.09 315.48 1631.8 1291.73 803.79 602.26 1883.07 2905.19 2675.65 2809.26 1135.88 1311.31 725.1 899.02 1675.93 3295.6 1432.37 402.46 2220.17 414.6 2662.18 1899.85 1293.03 384.83 825.56 1648.42 1843.62 1822.48 1545.69 1833.41 1925.21 1874.4 1951.23 1924.47 1882.85 Kipukasin I 1352.97 1190.2 1574.54 1274.04 359.56 668.72 1949.77 1189.08 798.8 465.55 820.26 930.75 2548.84 496.21 403.25 635.69 527.35 601.72 1400.3 814.11 751.4 633.07 1677.37 1764.7 1375.61 1188.04 1325.55 1257.29 793.09 1461.42 1293.42 631.69 1410.72 2867.42 5490.48 1016.6 1505.25 820.16 818.53 4700.82 445.84 419.36 1243.25 2547.8 543.73 1015.42 833.27 4509.7 1137.14 1134.27 1915.52 587.8 1709.88 610.08 379.65 996.74 6611.3 2980.41 601.81 816.89 2592.63 1263.83 2210.55 1536.23 1479.93 805.33 657.1 538.64 1400.1 3233.57 525.23 1495.02 1336.48 2220.77 658.94 1906.53 1733.14 1548.32 1731.03 2078.05 795.79 1649.55 1453.69 1738.68 Ile-Thr-Ser-Ser-Leu 1726.69 2420.31 3008.68 1685.82 2502.38 2017.85 1065.35 776.5 1747.95 1096.34 1475.77 732.91 977.13 1145.35 1052.08 1330.95 1661.01 1497.72 1158.6 736.79 869.18 1292.59 1441.48 882.87 2824.35 1227.05 1277.62 1259.54 1003.34 550.33 790.45 1043.87 420.23 4737.51 1434.17 1621.28 2148.93 1346.84 1335.76 1307.94 2028.46 1920.74 1979.6 2136.52 1605.27 1693.48 1631.62 2182.08 1435.14 431.82 990.91 1503.11 1098.98 1042.93 2395.79 903.04 1549.72 2021.43 2524.46 1736.48 3025.24 1570.71 1077.35 1128.88 1415.96 1816.69 1219.48 1327.84 1630.6 858.55 924.04 1053.74 1326.74 1151.19 1171.38 1437.87 1560.89 1675.4 1625.1 1546.72 1678.76 1992.66 1642.63 1681.71 [(2S)-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-hydroxypropyl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate 2110.34 6751.83 5454.57 1240.09 4839.92 3106.58 25037.56 13321.05 5380.26 1274.84 6738.94 6345.95 1216.02 1213.87 7086.01 13669.27 26756.8 3905.18 11627.93 10630.37 6266.72 3651.43 2293.18 1111.1 3043.66 6468.15 7017.79 4341.65 2548.51 7483.84 7358.99 8207.09 19202.35 1868.78 1963.62 4020.87 5889.35 1442.68 5102.81 7065.03 1935.27 7035.53 4498.03 4252.95 11337.54 1824.92 10585.73 7720.79 4915.24 6839.64 1499.52 3336.25 3156.88 7344.99 8126.68 6185.4 5489.28 4952.52 6196.91 4297.7 5770.96 2067.89 8584.89 14836.01 3265.82 2454.38 5796.93 3243.42 9692.84 5432.34 3592.9 6609.87 6007.79 5594.26 8671.25 3966.46 3632.79 3349.74 4272 3954.15 4738.12 3910.86 4340.74 4404.12 (2E)-2-hydroxypenta-2,4-dienoate 3930.17 2492.96 4554.33 6261.08 3319.38 2912.57 7632.59 3555.02 3629.23 594.51 1849.62 825.51 4554.83 4381.14 3358.75 4283.91 4917.81 1548.24 2113.32 3629.73 3659.5 1984.45 3593.88 3958.16 3064.72 1709.58 1694.92 679.54 1777.91 1591.14 4766.97 745.91 744.66 3585.63 4098.96 886.62 3670.94 1849.01 3901.64 1792.73 4514.18 2716.82 2144.25 5068.35 2523.86 10575.72 2978.97 1289.05 1773.2 5584.14 2862.66 3459.02 1859.93 4126.85 3471.01 3985.46 6421.15 2761.93 1521.38 950.05 4490.04 4108.83 4320.66 4148.43 3294.96 3516.54 3981.34 3032.62 4088.66 4535.27 2991.39 548.04 4926.05 1218 9503.43 3580.54 3403.38 3157.37 3568.65 3779.37 3435.77 3434.51 3594 3421.58 3(S)-Hydroxy-4(R),8-dimethyl-nonanoyl-CoA 535.66 2363.31 993.05 762.69 1141.41 2062.49 1337.33 730.76 3046.9 1275.91 808.68 1355.26 903.77 452.46 686.23 1055.34 2847.32 1386.52 1334.96 1309.79 1231.95 1486.08 2368.54 589.43 1954.69 1278.73 622.32 1645.61 2066.39 909.88 1301.4 2513.95 2412.66 4091.9 3158.53 4003.98 2156.93 955.38 1761.91 469 1583.72 1728.33 4487.51 1438.28 802.75 1166.26 2636.89 7072.95 8725.03 678.7 1094.03 4395.23 5689.03 4737.44 5275.84 2225.72 2651.43 2648.41 4177.42 2608.41 3629.71 2568.84 5556.42 6955.45 4773.6 1680.68 2430.99 1959.25 1721.29 5736.87 478.61 1451.69 3248.6 5065.82 3589.39 3175.94 3443.22 3436.61 3296.48 3429.96 3275.98 3327.63 3466.9 3435.25 CDP trianion 17963 31789.41 30325.38 13840.59 19268.46 7507.27 9241.95 18229.66 16595.69 21526.84 1815.47 16676.85 32066.73 17778.39 11150.07 8370.27 9669.65 13959.73 22573.56 8608.94 19676.6 5868.54 14516.26 21940.56 24966.97 17481.5 24172.29 23313.02 20078.32 20469.62 14218.72 14321.41 5801.23 29967.75 8377.42 36941.7 13773.15 5140.62 22692.67 34009.67 18264.3 12860.65 13761.96 12877.69 14980.34 12430.96 12287.68 18254.55 14392.14 8208.04 12304.41 12091.22 16096.61 9121.24 20477.72 15685.03 19995.62 13626.35 9381.85 6933.91 16794.04 25052.79 7857.8 8520.45 8293.54 18213.44 15835.29 34279.75 39963.29 14491.66 7769.61 10886.87 5193.16 8687.54 8542.79 13973.31 13998.63 13119.71 13992.56 14382.88 14006.66 13865.09 13783.39 13999.45 Phe4Cl-Thr-OH 670.05 791.37 920.99 2446.6 1170.43 629.51 3326.98 431.26 1630.18 1053.27 969.72 809.58 1439.33 2002.41 559.64 1333.66 1212.97 749.94 1500.54 933 900.39 430.97 1870.52 2073.1 435.22 548.26 1242.5 1742.5 489.28 1183.32 832.69 552.54 363.32 1971.22 5328.78 763.29 762.61 1826.96 2547.3 2670.38 1820.47 1114.13 2439.28 4339.87 1016.54 7278.6 379.77 435.97 1245.39 482.52 1342.25 848.14 3379.34 7800.26 2864.03 916.9 3601.2 5329.64 980.9 2490.78 1548.32 2630.79 1084.18 3835.67 369.92 1185.12 378.59 2072.47 1551.83 381.37 921.64 2924.14 2092.91 4079.1 4670.15 1776.82 2099.59 2199.78 1732.97 1854.24 1851.72 1447.1 1693.9 1996.6 [(2S)-2-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]-3-hydroxypropyl] 11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoate 14431.02 11454.27 9574.63 8678.9 8288.17 9223.58 10286.35 11448.6 9167.36 12444.45 10133.89 13454.43 8403.29 16296.55 12993.63 4988.82 13795.87 8100.2 4416.63 10096.62 3702.59 17036.98 5481.5 14946.56 15541.09 11838.96 10830.71 14996.83 9241.54 11478.16 12290.44 9015.52 12231.4 4105.98 16177 15034.74 9680.93 10999.13 14059.49 18499.84 7297.23 5423.43 10089.47 16152.69 12700.63 5096.94 16071.23 6544.36 8364.21 12202.02 14896.91 7085.54 8705.46 13854.44 11921.81 8354.38 8635.64 12604.95 9927.5 14650.58 8487.28 15935.47 12416.42 2880.37 6733.66 8586.68 8768.18 13542.9 16991.04 13357.7 10650.76 8600.73 14595.77 16583.28 15832.79 9135.47 9038.43 9037.6 9050.92 9444.06 9148.62 9036.67 9124.23 9151.21 3'-Sialyl Lewis X-CH3 1026.58 623.67 2794.48 1870.54 4141.64 4146.71 13300.47 494.35 1458.06 3480.82 4088.54 2622.78 1770.36 530.64 1524.01 715.62 715.02 1469.92 3655.2 1440.42 869.79 566.18 1082.13 2028.98 644.91 2733.33 526.65 2026.85 3493.52 449.23 1868.64 3584.2 1452.97 11449.86 10753.66 14347.97 15616.19 16717.53 12678.33 13816.56 16253.78 15916.06 11937.11 9521.43 13125.21 11550.67 15368.91 16317.67 13760.04 17166.08 12776.16 11900.68 8687.25 12931.09 11251.2 14135.92 6390.99 12459.34 15876.32 6847.59 8238.59 9244.99 14293.19 11609.94 10668.1 13732.07 16348.5 11835.04 14443.29 25982.78 14345.38 15327.97 13979.2 12893.4 12745.89 13762.23 13004.96 13177.12 12768.9 13287.74 13160.67 12223.01 13313.22 13697.71 TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 844.65 1965.2 744.24 1168.65 845.45 3320.41 1785.8 1739.46 863.74 742.46 2745.48 4110.05 3562.01 1604.89 4609.4 1281.91 2376.84 831.56 2356.6 3239.93 900.91 584.74 1155.34 1997.3 1891.62 959.06 1406.54 3337.93 1355.55 1268.36 1379.86 746.18 1747.38 4477.6 5145.79 3738.55 3959.86 8231.3 3787.21 5534.6 6673.82 4079.33 5036.3 4068.27 5084.36 1960.9 4912.97 7587.44 3500.17 3971.82 1941.64 5014.85 3688.16 4186.02 2421.27 6924.38 3836.38 3394.55 3199.98 4200.17 1932.59 3922 3900.84 6196.99 3624.29 4027.33 10554.71 4565.56 6625.46 6223.35 3411.49 5308.34 5252.24 3280 3553.77 4441.27 3678.16 4582.42 4750.05 4653.89 4570.75 4479.23 4623.16 4410.07 Carbobenzyloxyglycyl-L-norleucine methyl ester 3837.62 23164.92 4819.35 23246.84 7354.25 22361.25 13435.63 7510.61 17814.18 17652.48 17090.5 10386.96 10882.19 13535.74 25800.51 23441.67 8055.03 18473.47 16286.15 12680.45 14127.25 14021.69 6307.59 17184.29 7502.68 22535.82 12651.76 13392.63 21696.28 7363.06 15292.22 21600.93 2005.19 9952.62 12247.67 8791.92 21787.63 18963.96 11968.54 10042.07 13736 25212.15 10387.7 19385.67 24862.87 2067.4 22621.5 18440.42 12406.28 13987.21 10303.44 12633.1 16396.13 13818.36 12142.71 16316.09 11112.32 11083.7 11418.86 4554.04 10914.44 5237.75 15401.96 7942.45 4145.55 24601.6 31913.58 12029.88 19393.42 15356.88 19435.63 15538.51 18848.57 8541.04 7056.4 13136.11 13016.72 13167.97 13127.01 13253.89 13027.52 13758.19 13593.58 13619.13 Lys-Ser-Lys 2494.21 1136.38 1781.33 2076.95 2662.99 2498.35 2086.25 2899.19 2022.55 1517.37 1698.61 2517.28 2680.65 1177 1822.77 2522.6 1019.99 1841.41 2585.45 8266.89 2820.03 2959.44 1964.61 1553.15 2203.78 2614.19 2290.23 833.1 10778.81 1359.61 3496.4 3376.98 1685.45 1270.46 366.68 1655.99 1576.1 414.73 624.35 702.99 8081.97 2206.08 1628.79 545.22 2282.61 1930.85 1561.98 926.91 1293.13 1509.51 469.42 1441.64 1233.15 508.5 588.27 786.2 862.97 2161.42 1488.04 573.5 293.87 336.03 1783.98 1046.13 678.57 1329.99 705.53 1149.75 325.81 2549.69 2944.3 1034.12 735.06 783.67 473.57 2985.38 2724.14 3154.89 2377.71 3599.47 3476.52 3255.16 3368.48 2381.61 Glasdegib 2239.49 6097.1 2149.11 1556.47 2894.56 3654.6 9345.11 1839.44 3433.38 1510.4 3549.71 6281 1540.08 2985.69 3745 5199.75 1991.87 6719.73 3069.27 1976.49 2191.92 4266.72 2610.61 3295.12 2498.8 3087.61 618.6 2033.06 1474.31 3966.13 6477.86 4439.84 4091.18 5143.11 4840.2 2832 2717.03 9891.26 3369.48 1874.02 13362.71 2314.86 6631.24 4388.01 1797.84 6394.06 2663.66 7526.27 2955.68 6298.07 3490.89 2383.06 4531.31 6422.29 4908.37 5687.95 3761.91 2780.09 2674.65 7276.09 1676.99 6422.96 3488.62 3204.92 5945.48 2251.8 1260.04 1843.14 7941.56 837.99 2938.21 3553.21 7923.74 6413.1 2541.86 4173.85 4236.18 4362.91 4209.79 4476.97 4232.62 3785.22 4207.42 4198.39 25-Hydroxyvitamin D2-25-glucuronide 7948.05 6297.32 8199.82 8682.53 13975.47 8275.99 6669.5 25471.95 9974.65 7966.64 19617.3 11639.33 5164.8 3129.52 7406.65 7057.45 7281.8 14354.84 12796.52 11362.88 15973.03 7695.19 5874.16 11595.11 6742.62 10904.4 6798.72 8813.59 7735.09 2488.68 8041.25 7499.48 16185.18 1721.55 6885.25 8609.16 5806.96 2617.86 8639.04 10058.82 1996.33 10181.73 3312.14 11378.71 4931.78 13406.54 1818.52 2622.38 2811.25 1610.64 4182.42 4924 10185.35 13620.41 3537.33 4717.21 10872.36 3547.71 1063.86 5043.23 1394.98 2686.73 1070.28 4053.59 2315.97 4361.99 4744.47 4531.33 941.85 4317.5 5617.16 2807.14 2537.1 2183.52 3838.41 3867.28 3976.51 3618.92 1530.44 3944.21 3583.92 3988.99 3919.33 3906.9 Dye X-13046-68a 22064.71 10676.59 2043.7 2118.81 17472.72 6196.96 6087.28 31682.69 31872.16 16364.35 12185.08 16248.13 4753.48 16440.5 17183.19 19952.31 9386.68 32761.62 30257.56 81235.67 25919.56 5990.59 7009.2 11731.95 32976.44 31541.76 11870.03 13526.3 27671.68 13353.29 53367.36 37787.95 5662.95 10444 10074.87 40400.04 27966.79 4061.23 6022.89 7537.06 47933.77 17003.91 5552.01 8455.6 55740.74 10448.27 39483.73 14869.68 13327.5 26661.88 20617.21 26312.55 11532 14238.7 9745.78 17926.27 4534.35 3204.91 27462.31 2368.29 5515.22 7256.43 14717.81 6862.8 6609.25 27468.94 30440.93 14117.65 16772.76 19003.05 12336.56 12429.74 10493.06 2571.71 4519.62 16971.43 16925.95 15108.02 17053.68 14876 17958.77 16104.54 16354.58 17130.82 1-pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 1561.72 703.54 22817.68 20635.48 7120.19 25769.47 108116.6 1799.6 956.04 1731.62 1125.5 5120.44 15278.56 1724.98 1067.55 42050.16 17985.31 2304.28 3008.88 329.86 1310.51 907.41 523.83 2649.51 1461.25 1172.76 1093.94 847.08 511.55 1532.26 6072.97 2456.86 3061.89 2708.89 4231.39 1390.74 1010.19 3493.16 1727.02 3317.45 18736.85 1803.91 1640.81 2771.3 1352.44 10683.08 858.09 1116.83 722.8 10776.32 1760.37 1325.13 426.81 11540.26 2815.88 2269.81 34367.06 1610.02 1627.25 14563.15 4908.93 4565.07 5898.29 5874.72 1435 2849.18 3586.07 1695.68 921.68 961.25 1016.12 661.97 4985.32 340.23 7416.55 16640.21 27414.99 15858.18 13539.42 10338.91 11269.98 7109.82 55536.73 31755.17 5195.63 7512.5 21922.75 11987.43 47999.08 7413.41 15139.54 12535.99 14889.92 5714.74 15973.42 14668.92 8653.47 5101.73 5102.94 5122.13 4913.88 4265.01 4933.88 5118.6 4934.71 5108.74 Phe-Tyr-Phe-Lys-Ile 1811.47 977.68 1592.83 1888.89 1823.54 1076.14 440.74 625.44 1007.88 1020.8 1806.42 1384.97 1614.21 1167.26 1026.97 654.39 382.08 1224.87 473.46 533.55 1684.55 1060.75 1329.24 2070.07 1782.94 2003.9 1705.69 1389.1 1854.11 892.43 2262.34 567.39 1374.92 1211.67 3522.51 3197.5 2265.5 2618.91 2519.84 5445.28 754.38 856.44 1296.98 3675.45 1413.71 1607.14 3726.82 806.43 3217.55 640.49 4453.88 1592.36 2651.1 2015.6 4836.87 1913.02 663.25 2718.23 4066.88 2942.58 882.23 3300.59 3544.79 1302.6 3198.54 1445.3 2739.81 2722.29 3648.85 2770.55 2534.5 1729.04 3737.53 9290.99 2176.93 4566.75 5512.52 2638.32 909.15 3114.12 4299.41 3741.72 963.66 2464.8 2290.43 2652.51 4051.11 3944.9 4936.9 3194.54 532.83 4116.02 3893.3 2474.73 1514.27 1857.05 2969.22 2957.91 2948.54 2992.29 2033.97 2856.42 2972.42 2867.47 2967.34 Asp-Ile-Ser-Glu 521.25 2007.3 2629.58 768.75 1133.91 8316.72 1964.94 565.77 1252.64 7586.88 3364.77 2589.58 2116.27 1042.06 6366.96 4875.05 6249.89 9435.5 4999.6 10179.95 1785.37 534.95 2335.61 2951.29 6015.06 14764.35 1352.94 4167.95 3528.27 3727.32 13867.87 4517.47 8346.67 7281.89 5448.9 2858.75 10277.3 3680.47 431.24 3451.78 2580.24 6634.46 5666.82 1510.31 9505.02 1640.6 16251.76 2776.44 799.85 4699.08 3874.44 4322.97 7628.08 4053.95 4330.85 17950.32 3128.34 3124.23 9135.24 3440.89 3178.74 3483.72 8930.76 1557.05 5352.23 10079.09 15858.97 1452.65 3604.15 7559 9154.13 11434.1 5972.6 4046.23 1038.55 4788.88 6359.06 6328.57 6090.17 6229.77 5870.81 2683.3 6757.21 5708.33 Pro-Phe-Tyr-Leu-Arg 315.98 743.52 1164.26 10494.16 2350.65 247.9 6812.59 1401.32 746.26 318.34 602.15 1598.62 515.13 257.58 1293.04 1725.38 993.67 1119.82 2161.86 772.83 943.41 1384.38 1306.87 1136.28 1747.32 642.97 1229.15 419.29 864.39 1701.73 1342.74 1808.2 793.24 3466.45 249.38 874.84 660.82 291.17 1602.46 489 10235.48 2175.47 1108.77 1218.42 1654.61 10138.01 966.68 3173.77 1704.55 1100.78 3678.62 885.06 2779.25 1634.29 1852.88 829.77 433.4 257.29 329.74 778.55 608.81 2231.21 901.92 1488.75 485.17 548.55 879.91 1267.03 398.37 1183.2 614.23 1146.61 1349.82 1961.92 2078.7 2471.03 2563.46 2742.79 2612.27 2398.45 2080.86 2343.04 2569.54 2148.05 Isoglobotriaose (iGb3) 5305.1 6993.82 1511.33 8144.37 7417.73 546.02 12957.01 3298.33 9081.16 8280.7 2148.58 6714.81 2562.57 5523.39 13987.11 704.75 8501.05 12172.09 2850.75 18512.77 19228.75 10883.24 2749.23 8216.37 3036.22 2125.02 4808.06 2352.05 13981.91 1824.2 2411.11 6328.02 7481.85 1600.3 6588.67 9632.75 8783.4 10132.34 3527.24 4351.22 1630.28 12022.1 8572.38 4545.67 6625.23 4535.93 6349.16 3348.92 710.95 6304.84 8039.91 9751.69 3685.29 7108.21 5665.07 18276.04 1139.64 1441.95 2152.36 8275.15 3953.52 1577.11 15914.14 3229.29 5013.98 3515.05 11448.11 2774.3 10786.34 6232.58 5240.97 6256.69 535.22 6714.51 6163.24 7452.92 6780.94 7466.26 6909.82 7349.81 7350.15 7438.23 6940.01 6390.27 Ncgc00380873-01_C47H74O16_ 511.49 931.95 858.44 462.48 1570.24 1613.82 1074.9 1108.34 557.98 824.54 859.96 530.75 612.9 690.14 830.18 317.59 1007.53 519.7 283.1 867.2 1051.35 292.52 514.85 478.89 403.46 312.85 993.5 495.43 589.83 934.36 878.74 507.97 1439.05 1275.49 470.31 450.34 1685.84 1616.73 340.17 678.04 1756.41 2573.82 292.36 805.83 2388.16 1875.91 1299.46 735.82 1118.6 996.09 1633.65 2866.99 749.62 1011.66 1508.68 1162.06 509.56 691.25 1060.67 608.73 650.01 1015.94 1537.19 1047.17 889.7 1112.46 1089.69 611.53 550.78 1361.95 1965.05 703.64 671.6 1159.91 1098.25 1579.7 1472.42 1437.96 1568.22 1043.86 1577.99 1565.74 1586.54 1472.17 TG(16:1(9Z)/18:1(9Z)/18:1(9Z)) 652.46 4227.09 5635.23 4808.54 5289.11 2955.7 1845.3 4273.33 4125.1 790.36 10123.75 1867.85 6761.75 3552.56 1187.83 7704.11 4220.1 501.81 3013.13 9855.52 4862.9 915.86 557.43 1136.12 2891.09 7180.97 1296.17 6312.83 8490.46 5343.42 4541.01 18159.24 13435.91 11418.08 8625.68 1251.1 2563.35 3157.42 2474.84 3683.72 2311.43 2831.55 8571.16 5467.72 5610.83 8340.43 4416.79 13087.48 13575.29 8445.3 4119.45 6827.84 9444.49 11642.83 5309.15 6311.07 1848.55 2660.15 5896.32 4148.85 4381.72 11093.71 8038.65 8319.64 7060.9 3935.15 7746.11 5182.1 7014.39 5291.05 6061.6 2412.79 11153.81 8737.72 11787.56 5929.74 6807.68 5315.01 6111.57 6142.01 6059.61 6141.43 5971.85 5904.79 Asp-Leu-Glu-Asp 3501.79 2902.72 786.55 915.29 1177.79 1223.53 922.55 2762.22 713.07 2535.85 1347.29 918.41 1292.96 3402.3 1099.53 1885.41 1575.63 829.89 2171.86 894.67 696.25 1387.25 1304.82 1069.58 1287.84 535.66 1215.55 1360.87 1882.35 1247.99 509.69 973.99 1346.55 798.27 2295.4 2251.46 2946.9 1591.89 2367.22 2934.68 1093.79 1368.59 2234.44 1296.02 1814.22 567.98 1498.36 1143.54 2162.37 562.92 2875.22 614.3 2178.9 1737.6 1832.64 1031.23 1118.31 2554.75 987.56 1727.51 2389.53 872.59 2490.62 2016.45 1161.49 2633.93 1938.17 2132.65 1195.55 1614.66 1446.93 1573.67 2917.33 2964.97 451.89 8646.84 32364.95 5458.34 25451.51 2344.49 52428.08 13750.78 21958.86 21811.06 36283.66 33274.65 19580.43 6195.81 11796.1 15456.3 15158.33 17984.54 39130.88 2346.33 23819.66 5984.07 8771.19 49804.83 21529.08 10381.14 1633.13 1714.57 1834.15 1806.2 1715.45 1655.86 1766.34 1606.95 1044.81 TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 419.33 2512.52 550.94 2182.7 3880.94 3697.48 2709.35 4200.37 2133.95 2764.92 1859.68 4683.51 14325.29 12498.31 9290.78 1519.16 5899.55 604.53 3236.93 12855.58 3683.23 9810.28 459.24 4484.39 1412.46 558.21 562.05 9358.05 3516.49 10867.62 3810.29 2502.74 5905.29 1719.36 2036.68 2836.35 2434.69 2616.81 934.73 2315.9 4865.29 1671.23 2056.19 2149.24 2576.64 2355.28 2811.63 6672.23 6780.81 1833.63 2542.51 3817.11 3258.18 2580.33 8901.75 2481.2 1708.7 450.32 8625.63 3244.5 1522.78 2881.2 5874.37 2318.88 1840.69 3480.13 4615.76 1806.4 2536.89 4900.29 2380.12 2849.27 2274.66 4759.92 1611.03 3674.84 4063.94 4088.55 4067.83 3241.96 5099.12 4073 3819.57 3508.84 (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 3129.41 3663.5 3131.4 3478.38 1126.66 4406.27 506.44 4339.14 5085.16 3308.39 1516.9 4784.44 3781.64 572.99 3690.95 2505.58 3064.28 4767.04 4700.08 7022.66 3445.78 3843.3 10933.86 2169.62 2591.4 4818.38 2831.83 2902.98 4311.52 3915.05 5443.91 9924.44 4832.28 3126.56 3265.24 5186.87 4303.38 2252.52 2339.68 2241.22 7117.89 3575.4 2498.88 2254.79 4363.99 4624.33 6381.07 3995.82 3346.56 6687.25 4015.87 3500.15 2868.9 3025.11 1944.2 3567.25 1641.62 1599.32 4079.39 2744.64 2143.8 2278.91 1977.09 2609.17 1907.47 4377.13 4202.94 1962.36 1790.31 2860.99 3010.15 3132.74 1970.95 4092.14 2060.52 4092.03 4218.61 3950.35 4205.99 3310.58 4100.31 4333.8 3880.91 3946 AGAAAAK/2_0 8577.21 8618.02 1196.19 1168.46 7224.62 8606.66 483.17 793.44 8134.33 11625.91 5683.7 9631.39 8246.34 1498.41 1160.79 4284.88 737.62 5818.77 10144.73 618.79 9116.19 10001.5 5958.99 4562.51 8692.07 6000.02 7952.68 3825.47 7326.5 6805.37 4568.12 7032.84 866.95 2372.59 4891.82 6166 7890.61 10577.69 13163.71 6466.31 11319.02 14506.09 17331.23 11678 12941.7 11190.82 8519.92 13185.81 10378.87 5812.73 12269.15 8502.87 8010.52 9132.75 9859.86 8845.68 15133.99 12265.4 8981.73 9804.01 12540.21 7904.33 6391.93 12581.38 8540.53 6162.98 7563.13 7212.27 8304.97 9171.26 13646.96 8611.21 10930.28 10963.77 11875.92 10385.43 10378.49 10907.96 9971.64 10366.11 10015.2 10138.53 10134.2 10531.76 TG(16:0/22:2(13Z,16Z)/o-18:0) 1327.5 1359.22 1323.3 1901.01 2482.6 5459.21 325.45 364.38 829.32 1121.63 2654.11 300.14 1020.67 1332.69 1660.94 4847.7 2571.05 1054.12 1468.64 965.95 825.44 756.2 697.87 1041.52 743.22 2170.91 1093.57 1987.7 1165.73 327.81 1249.02 1105.26 1278.25 873.31 1100.03 2766.66 247.79 1113.76 875.83 4086.52 723.55 1787.5 1103.73 2058.68 1226.81 1196.98 1015.62 694.03 310.33 430.8 492.03 1112.98 509.39 1378.07 1221.44 1313.76 1033.06 1193.91 552.71 1196.35 2081.77 984.77 235.43 1153.97 870.3 448.79 551.89 1057.68 1377.72 674.89 249.94 2484.36 224.9 435.09 1155.54 2967.03 2822.92 2738.46 2456.64 2176.41 2845.4 2401.5 3381.98 2337.92 (2S)-Ompt 2248.94 4205.02 3031.81 2454.38 2656.12 4919.2 2021.22 2660.56 2811.67 4807.62 1217.52 1731.69 1188.34 3772.16 827.5 5108.48 1299.86 601.49 2260.95 1679.62 1766.39 471.88 1169.86 1173.55 1894.75 2864.78 2172.63 2681.74 452.51 1335.24 3061.84 1604.13 804.96 2774.65 1496.99 6486.22 1825.8 3632.73 2261.07 1351.81 460.89 937.12 3538.81 2843.68 2465.35 1233.7 3400.54 2698.05 772.38 2954.31 1539.11 2132.39 2069.8 2816.19 2133.6 4953.18 1003.57 609.61 1260.09 625.54 1715.11 1349.15 1188.02 1364.78 929 809.03 3137.08 3527 635.53 3274.52 1562.98 1049.24 1249.41 512.78 1234.44 1307.71 2303.57 1993.49 2013.25 1952.41 1927.32 1458.78 1796.14 2008.21 17-trifluoromethylphenyl trinor PGF2 ethyl amide 492.9 1285.55 1315.31 1246.15 1267 1415.32 1898.74 1634.37 2722.81 3519.71 979.24 1263.81 562.87 1272.7 15189.77 4416.19 1072.77 766.18 849.96 649.5 5296.38 993.81 744.55 1245.97 1462.37 1535.07 1114.88 579.43 1246.74 547.89 1423.35 794.38 1671.02 1640.61 2633.47 1297.46 964.38 3722.09 895.78 1470.32 668.26 1154.13 3699.77 1796.9 1232.04 1827.37 1129.45 3266.2 572.83 491.07 1134.5 1296.71 590.11 811.71 596.36 2265.61 667.27 815.5 1239.5 711.53 1138.15 540.27 1363.09 2634.42 495.84 508.52 2391.34 3152.24 1600.17 1844.83 1223.65 2514.1 966.68 2541.51 1303.93 1339.9 1368.89 1359.53 1449.33 1364.04 1281.04 1127.32 1247.29 1287.68 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe 1616.93 1454.06 4205.81 679.42 2363.8 1230.6 883 1606.49 487.43 3395.26 784.53 1008.09 863 1612.39 1482.67 1439.27 1282.18 403.04 1292.15 954.2 1134.31 659.23 1204.43 516.87 2222.52 1247.49 1240.23 1227.69 1824.44 1277.94 727.63 1824.1 1069.02 6182.94 2087.31 1285.39 1845.64 1478.83 2342.9 1976.22 1362.53 2550.64 3740.8 1118.76 912.7 2170.62 1838.31 2811.84 857.61 514.24 1026.72 588.84 2406.64 2500.48 931.62 865.96 1574.1 1117.74 2757.93 3182.41 3561.7 2652.24 1874.81 3607.15 2120.15 655.22 810.85 1013.4 1294.9 1072.74 1312.5 3296.54 2384.35 2161.75 2137.65 1739.32 1170.41 1064.27 2481.77 1493.36 1597.72 2013.74 1919.62 1404.68 1307.69 1213.91 964.52 1640.56 1297.04 2233.87 1455.18 916.99 568.48 897.38 1667.07 975.38 2049.12 2148.03 1671.94 2029.39 2320.29 2093.17 2120.93 2086.96 1985.85 1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol 106315.66 2814.51 1266.97 6166.82 1210.48 26846.37 157927.7 196201.95 234818.58 162762.13 76030.75 80211.92 91010.43 131478.72 1607.57 87487.83 148676.85 65047.17 2738.48 123820.46 1502.41 76348.8 110410.98 117076.58 114648.85 1028.8 155950.17 1523.1 1326.83 52928.69 76472.79 2789.38 82581.86 230882.04 162750.63 238321.11 147960.08 21404.27 156090.39 110046.74 56956.47 127443.11 178074.16 64568 131312.6 99765.05 179500.05 191616.22 280043.32 192516.29 119978.41 116520.76 170684.14 154210.22 158393.77 167591.4 139228.93 103233.85 121212.24 26077.85 178844.74 114542.15 202880.93 170395.21 98256.49 156404.18 60612.75 138090.4 79187.61 204222.98 166484.91 166492.59 97175.47 110939.5 162186.34 155725.58 159071.42 156552.58 153797.91 154616.08 155803.85 151760.45 152840.46 153809.52 (4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium 2021.5 3159.66 887.11 3580.71 7887.36 5283.01 4368.35 6046.06 2175.04 7527.82 5187.6 4674.48 4960.26 4519.32 5901.43 4925.93 3929.11 3045.08 3497.39 613.55 614.64 3050.88 6007.73 1365.45 3797.88 6335.65 4115.74 2003.28 6672.69 2981.42 5057.42 4722.79 3957.12 3812.48 3576.05 7584.78 8004.72 1919.28 8101.8 9386.19 844.35 1173.58 8915.34 3945.18 2595.18 3416.36 5567.01 5122.03 1601.9 3490.72 3157.15 1071.87 7188.26 6090 6204.85 817.39 3352.63 5799.12 5601.89 6023.77 4167.78 5609.48 2832.76 6721.92 3482.76 4351.49 948.25 5477.34 1487.04 11424.61 8159.7 6797.94 7881.45 1423.71 7456.23 8402.46 9146.96 12960.48 8491.49 11096.32 9465.52 10315.07 10125.16 7772.81 7384.04 7681.83 5976.7 7182.21 10355.21 10207.88 9081.31 10432.89 7584.16 9205.9 8027.94 9218.34 11266.52 8474.51 11045.43 8702.78 2384.44 4011.33 4631.33 2790.78 4067.29 4492.63 4161.96 4406.19 3773.38 His-Trp-Asp-His-Leu 1363.24 535.76 746.7 232.76 2351.24 1064.97 337.52 648.19 1237.86 535.88 336.51 550.64 1153.67 1395.65 760.93 3292.52 475.76 370.33 822.88 1669.48 775.54 380.11 539.83 505.22 703.74 1214.57 282.53 391.78 817.42 3382.81 241.68 7652.94 496.02 656.02 539.88 345.25 1325.85 737.22 700.02 286.07 2572.08 2797.76 497.38 909.94 3103.11 582.01 3075.33 525.62 1088.89 2827.55 1868.05 1011.73 539.61 1634.34 451.98 1587.11 962.03 921.11 3036.57 613.79 4179.53 900.71 719.04 1275.61 496.54 1744.55 2896.74 335.18 1548.81 372.76 955.51 700.58 1298.35 543.42 2021.09 2695.44 2987.48 2706.51 2657.61 2659.8 2456.99 2577.03 2426.12 1860.81 beta-Bag Cell Factor 861.62 2656.06 2028.15 2771.43 579.21 425.51 1418.2 1503.21 1098.23 308.16 3556.4 2568.94 2948.99 737.2 2214.34 755.55 1220.46 1528.31 3616.25 4202.82 2043.6 1577.34 5312.58 1402.04 902.26 1233.62 849.95 1234.5 1473.54 551.74 987.5 1925.13 1369.4 2463.41 5952.25 995.69 1144.08 2949.92 2619.29 2733.15 6692.23 4220.97 2189.55 3362.14 3798.25 3737.14 703.44 2343.76 5262.15 9747.67 4205.04 2468.63 2743.36 5678.07 3164.53 1747.09 4405.88 2675.03 1711.93 3359.97 2937.36 2442.48 4092.98 6414.45 2712.75 2585.49 1789.91 2904.3 1356.96 1313.54 1859.73 1233.83 3598.72 12598.01 7188.81 5263.79 5539.61 4971.2 4855.37 4307.19 3506.87 4825.43 5131.34 4880.21 Ncgc00381132-01_C23H38O17_ 1684.25 3630.93 18984.05 9962.39 523.14 601.38 1102.34 646.84 2410.92 2981.03 5086.82 2838.94 3835.43 4274.66 740.88 5359.46 3623.24 983.08 570.16 987.7 2287.98 794.68 3758 3587.09 568.81 1753.47 2033.87 3024.91 2299.89 2246.45 2814.56 3116.98 1523.12 7590.15 10675.22 1782.51 1537.43 4101.08 2117.39 5355.05 4030.7 1905.54 5099.35 6255.37 1214.29 1611.63 1352.06 1262.08 2968.2 3523.03 715.04 3482.56 4082.38 3603.96 4761.63 4530.56 17065.11 11350.81 2048.22 2843.05 3915.72 6055.46 9334.45 18286.18 5028.64 3451.72 2668.47 1244.16 4803.58 1927.99 998.47 1995.99 6835.52 7810.17 9156.34 2982.25 3437.21 2724.42 3025.31 2724.07 2871.31 2833.76 2975.78 3025 4-((1E)-3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside 11953.21 11006.22 4298.03 2296.75 5009.03 18280.22 13781.43 9163.14 15828.82 10918.7 7887 8112.95 6211.55 8135.01 6748.8 16753.25 4149.28 15719.9 3528.79 14209.15 3037.43 6141.43 5299.01 10262.8 4473.2 7773.41 2312.52 858.5 3105.96 1435.38 14323.68 5328.03 6382.6 12839.88 14057.12 8852.19 17675.12 3527.49 4742.08 14018.39 12078.52 1016.2 9818.52 6935.82 11681.24 12894.33 12490.03 3696.78 3209.74 14193.2 13505.9 5896.69 11741.69 11307.43 12095.16 3054.68 4109.1 6858.86 9399.37 11334.67 6449.26 3151.61 15049.87 14867.9 11139.06 7619.24 17664.03 2368.72 6209.44 9591.3 13559.52 9622.81 9547.63 10588.89 4807.29 11025.74 8883.73 10387.12 11019.75 10106.56 10891.9 11212.11 10048.72 10919.03 TG(18:0/18:2(9Z,12Z)/20:0) 1300.78 517.45 505.3 264.55 1175.97 1463.54 548.95 539.45 371.37 318.89 2363.58 192.16 742.58 592.01 532.21 317.85 257.72 445.88 345.01 373.4 612.71 359.31 303.75 323.08 418.34 271.48 793.18 315.79 623.98 385.75 362.28 337.3 269.71 331.71 449.52 469.47 615.52 773.31 435.05 838.03 320.25 1771.78 266.64 440.06 1878.82 292.47 740.23 583.82 578.58 1454.36 2744.53 349.65 633.64 600.27 443.59 2317.34 212.12 345.01 392.94 1351.5 1884.54 284.34 763.87 461.04 631.71 497.3 303.86 368.82 425.43 372.69 486.86 434.7 404.71 560.79 437 1264.32 1296.64 1176.16 1252.23 1331.74 1386.86 1359.68 1379.48 799.46 (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 3081.81 1990.92 3571.57 7297.33 25967.11 7508.54 6019.46 10351.26 14304.94 14063.01 4101.02 2680.58 15522.05 16285.64 16752.14 4219.29 2121.59 20675.86 5411.24 764.07 23962.78 3037.7 9719.57 11735.63 9259.07 22971.54 908.61 3062.41 717.75 1758.15 10372.96 4937.36 7578.63 13515.24 10703.36 20628.77 15455.37 6972.93 14274.31 5628.85 14313.07 12864.17 11634.98 9866.82 13520.85 8420.16 19241.81 10079.5 14594.45 8615.33 12339.92 17431.31 19323.43 13600.78 5640.55 7071.15 2347.68 4322.26 13681.43 6362.35 9883.41 9230.44 7175.52 14779.51 2625.04 18284.99 24459.54 10847.84 8287.1 8566.55 5299.26 9496.91 8926.92 3867.08 6561.9 8852.04 6884.44 8764.76 8827.87 8368.74 8935.23 8698.14 8309.56 8668.75 PS(15:0/24:1(15Z)) 593.86 935.69 500.54 2298.16 542.65 1055.8 436.27 1097.43 1728.04 1198.99 1723.33 2300.87 3927.51 1240.56 2164.95 2770.94 1519.09 2088.24 1966.48 2387.6 1551.41 1102.34 1548.5 552.6 377.9 1150.81 9351.24 918.66 2094.9 590.72 969.45 2657.82 1598.84 6048.19 1038.15 3129.99 1538.46 3328.96 2640.88 1806.89 3174.15 4387.63 2427.43 1831.47 5965.27 2420.69 2735.96 2854.04 7617.11 8563.27 5142.42 4903.42 3074.41 6841.09 2231.46 2298.32 1137.71 987.81 1084.11 462.76 1005.86 709.47 1084.04 1124.57 1082.92 3144.2 2066.51 938.19 818.53 444.95 572.16 908.94 2122.32 7710.03 3707.97 2641.08 2665.55 2644.85 3035.33 2634.76 2571 2495.28 2454.99 2247.03 Asn-Phe-Ala-Arg 872.43 1724.51 2307.92 537.5 1557.98 1187.52 1189.51 1321.53 517.95 706.5 678.49 866.36 1095.44 1031.14 1214.43 411.74 1518.03 743.32 1767.2 1203.29 767.61 3142.46 418.61 1036.67 1484.68 372.48 612.96 1956.06 1708.62 392.91 873.88 2507.07 1022.98 6583.49 1077.74 1810.57 2495.82 1278.86 3360.11 4416.7 1706.83 2735.81 8810.93 4565.49 2353.7 799.04 1047.63 1643.21 1230.97 379.59 1710.35 868.78 1311.17 775.4 1549.54 1318.4 3212.45 2136.88 1526.21 1277.16 2409.34 1283.38 1337.91 1277.88 1606.4 2393.57 1508.13 1073.26 4796.18 722.37 2089.11 2000.72 925.43 435.68 2083.59 1142.95 1866.69 1995.74 1998.83 1997 1883.14 1903.08 1931.55 1996.84 CTP trianion 5430.02 5137.74 9314.47 9050.14 4371.58 4257.26 6835.35 6708.53 6843.79 7244.47 9644.87 12742.23 12774.68 6323.22 6100.73 7019.53 8013.89 5616.29 6035.44 12736.07 8521.2 13786.97 14319.49 4957.58 6888.35 9292.09 5600.74 10758.45 8837.77 7885.83 6075.62 5156.06 11101.34 6252.74 10853.94 10248.82 11977.58 12532.94 10804.86 9205.07 12383.45 16957.64 14908.79 16265.85 14270.38 13784.29 15023.13 16026.94 17494 11594.38 13249.68 13655.85 8031.62 15613.91 13688.62 12144.05 8922.65 15304.45 6770.47 7437.78 7794.51 13456.57 12695.62 7488.64 7845.91 6968.42 12049.82 12168.17 7677.8 7263.15 8030.42 6119.16 14607.31 13097.69 14189.63 11140.96 11327.33 11405.03 10721.9 11322.31 10827.78 10728.05 11304.71 10948.11 1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycerol 366.37 248.09 315.54 2231.51 2340.64 1539.73 3755.29 821.6 1586.53 1306.42 1498.38 1353.3 891.13 1653.8 1259.37 1148.91 1413.49 1799.39 1431.9 1356.91 346.62 484.76 1510.29 1663.21 391.12 1269.23 1099.67 443.26 564.76 245.63 1298.57 378.36 1456.31 4175.41 4555.1 546.05 1215.74 884.72 3344.1 1604.96 312.88 1859.66 2576.78 1784.01 537.07 2905.5 349.35 987.8 392.62 10031.7 369.46 2190.2 2743.97 5624.21 867.78 2585.02 11883.56 4439.68 597.56 4021.69 3755.07 4812.18 2917.13 5342.45 1780.61 1996.9 1575.06 665.46 789.87 1134.02 1018.2 578.44 5587.83 5658.12 4425.98 3916 3484.22 3471.25 3475.91 3452.3 3424.89 3366.99 3477.54 3222.98 NCGC00381438-01_C29H48O22_alpha-D-Glucopyranoside, O-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-beta-D-glucopyranosyl-(1->2)- 635.36 2509.53 418.83 4247.64 1089.86 12231.06 2180.88 2406.16 1734.99 5640.21 4018.47 4600.19 3603.49 5608.43 1626.21 1486.92 6330.23 2016.65 4322.63 3571.57 4008.13 3891.12 4881.07 1084.63 655.91 5524.15 4499.28 7055.94 1974.53 1262.1 5428.65 1781.73 3409.46 7476.17 4767.09 3957.12 8845.97 7364.99 3832.97 6220.58 4275.42 4640.39 4254.03 4592.81 4461.92 3383.07 9826.68 771.52 1162.6 1227.6 2517.12 3047.47 6550.75 9600.42 3652.9 8009.84 2122.64 6261.65 6130.29 10809.82 5284.83 4983.15 2990.74 8362.64 6065.37 5034.21 5717.63 1342.2 2340.33 5834.51 3306.18 4569.44 5943.97 7424.46 7720.59 5319.68 5699.67 4204.58 4902.14 5025.45 5290.08 5733.4 5348.18 4951.02 Nap-Trp-OH 370.01 5339.61 975.32 457.7 3246.49 758.67 1013.06 546.31 731.25 548.78 314.05 1357.26 1193.25 425.38 340.86 945.93 1490.37 319.13 1072.68 316.23 904.21 887.03 265.35 433.85 682.87 673.8 839.83 916.49 1898.6 1125.47 442.23 260.33 2064.48 430 665.28 532.64 282.5 1024.87 384.47 686.88 372.67 1110.3 383.85 471.33 521.64 591.35 582.9 1732.16 1446.3 818.27 925.32 1705.27 394.86 591.95 538.11 1608.8 889.81 540.22 1097.77 780.68 366.67 560.95 1199.29 892.43 960.93 1281.88 885.75 961.17 492.06 803.07 570.5 2034.41 252.64 1386.81 548.36 1834.32 1893.7 1899.38 1976.19 1967.61 1893.13 1973.26 1918.06 2263.44 2-[[4-[[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid 1280.13 6043.39 12500.71 13297.07 1399.84 4454.41 3532.65 8609.43 10387.16 14847.48 9912.32 4704.96 2487.84 10155.73 21856.8 4307.21 10836.94 12099.79 2286.6 5340.38 5004.82 3870.75 11757.82 15593.69 10514.05 2489.02 2427.61 577.09 5400.74 2647.79 7208.9 7040.78 461.12 16510.05 19262.56 2049.99 6822.26 17406.12 15282.7 9829.56 503.78 6801.01 15589.29 12178.15 9336.49 3388.19 1639.58 12409.11 4878.32 4895.02 4093.95 20403.28 11212.23 3306.45 2656.9 19962.1 2547.37 13387.05 14030.54 14853.2 14896.52 7680 17699.01 17321.31 12597.01 6363.98 21375.11 9924.65 12240.73 3104.82 7372.95 13565.28 15179.32 17128.53 10750.17 8000.39 11050.89 11451.95 12102.92 11963.9 11911.54 10820.41 11828.93 11226.39 [(2S)-1-amino-4-[5-(3-amino-2-formamido-3-oxopropyl)-1H-imidazol-2-yl]-1-oxobutan-2-yl]-trimethylazanium 524.65 85.11 224.86 4702.74 14351.51 10437.47 9500.12 303.39 158.8 215.33 161.53 339.42 3698.55 139.6 145.69 632.51 130.69 323.37 116.44 322.32 283.64 315.43 103.86 504.2 453.73 145.89 261 141.42 161.76 245.67 112 499.26 189.09 571.38 194.52 109.16 400.05 124.98 338.99 197.9 3946.59 1794.62 123.17 364.45 170.13 9578.39 167.04 151.39 199.42 717.17 766.72 291.93 379.11 1472.64 2714.38 286.42 357.1 347.33 153.17 475.29 446.54 848.91 303.82 324.59 302.23 515.51 379.9 381.04 219.18 128.49 158.53 182.82 88.3 131.03 1365.13 2062.6 2025.51 2046.32 2024.19 2022.89 2071.4 2025.43 2063.4 2018.29 [(2S)-1-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]-3-hydroxypropan-2-yl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate 41982.77 33616.31 41070.39 30789.06 53240.99 11485.98 34658.41 51652.1 52153.59 39282.21 31303.71 22711.01 25911.15 2051.69 36306.95 35215.93 31198.35 15785.72 74184.87 34357.97 7512.69 4455.04 35554.7 41834.24 49646.28 26043.47 49918.25 26114.71 6018.53 25646.53 13004.94 7546.47 29930.17 80550.65 36628.35 58838.86 38329.86 10745.96 29192.48 24190.24 17928.64 35370.46 47547.51 24605.95 30712.13 30927.73 43731.75 60204.82 75287.11 72390.49 29608.68 52564.84 42507.73 41899.76 51217.52 41442.4 28413.66 25016.39 32329.47 12827.59 33297.75 27550.81 45564.49 48931.79 42558.47 63109.56 17383.63 33837.9 23018.35 54181.9 39403.41 48049.37 28347.98 30140.81 39356.6 50563.6 52618.38 57087.23 46893.95 51071.3 47860.82 48300.48 48045.97 49065.77 Cymarin 98747.54 91484.92 63889.13 5013.3 24951.62 173598.9 5983.68 187259.83 156403.3 155981.09 133838.62 277482.84 136935.05 91345.63 119683.53 254998.27 68341.11 96280.12 323556.6 171907.58 138101.9 102271.5 51612.27 87081.64 55570.62 46614.63 23287.13 76475.47 145961.84 156281.24 136458.31 323031.11 97634.44 68677.59 64362 185833.72 71436.76 27888.22 52545.19 24048.95 52926.51 219572.31 60290.55 38242.96 138976.75 28482.58 66164.71 62092.25 171167.57 227404.16 148642.34 161919.38 101602.42 53283.89 71900.82 106611.06 30153.14 41408.14 114500.75 129398.72 89496.59 94113.67 61680.04 73435.07 91197.53 180566.35 75419.42 143891.29 76695.64 193987.87 130178.72 112694.01 117908.99 105531.51 142505.82 127981.92 127394.03 117900.25 119984.68 122801.98 121659.87 120451.99 121377.87 126706.83 9(S)-HPODE 2715.36 6585.05 2131.14 4117.93 2118.5 2350.45 6834.07 2599.03 2764.23 5061.7 3040.88 4107.7 2980.55 4405.75 5257.95 2776.45 3345.13 8339.04 5425.71 5320.14 1318.91 2286.64 1708.85 1423 1687.21 1975.27 1081.51 1532.36 2577.95 1123.69 2541.69 10735.67 1844.75 2009.59 1382.5 2076.47 1600.56 927.82 1773.18 1159.95 4370.98 4037.32 2853.11 2136.13 8080.02 6072.92 2001.68 1834.9 2270.31 4751.07 2687.14 5543.15 2448.98 4766.42 3289.36 5474.43 1782.88 2198.1 1987.84 1606.86 2115.03 1597.83 2354.47 2872.1 1660.06 3938.93 4622.74 3383.2 3381.58 1610.06 4434.87 3419.64 3119.65 4350.12 4022.76 4327.42 4540.1 3753.11 4425.91 5279.76 4591.99 4613.32 4602.72 4456.08 Carnitine C4:0 97868.08 70582.29 72856.32 59691.81 118665.77 66418.79 115639.93 74098.5 48005.77 76618.39 58023.87 44393.26 68152.28 64989.4 48316.6 38800.74 86599.59 92815.24 98439.75 59910.45 113284.08 52026.18 44204.28 47034.2 51990.06 78561.78 76131.25 77203.54 77974.79 Carnitine C3:0 29780.27 40630.43 28889.78 31964.77 61555.29 36542.47 54933.99 14590.34 47142.85 34245.12 55058.81 35138.76 28496.74 16230.21 28433.19 20804.3 88910.53 64142.95 45781.57 69560.65 40205.73 14958.81 22745.91 30291.43 48330.47 53169.48 54605.82 49335.35 53649.24 Carnitine C5:0 4570445.52 3692361.2 2498999.68 1493993.99 1885604.35 3228317.31 4472745.57 4218139.35 902655.77 1891240.46 2850217.93 3772732.77 3929285.69 4291812.21 961255.27 4043478.47 1348050.57 4209665.62 4724428.26 1356431.9 3452418.91 3603639.81 2395273.82 3164194.7 2769763.04 3165903.34 3232378.46 3176782.11 3216861.88 2-Amino-1-phenylethanol 19805.32 29719.99 20980.22 52099.44 27694.07 30454.84 34611.51 14720.01 17964.63 29343.26 36123.92 24750.87 24795.75 16034.49 50020.21 16856.38 50122.65 52243.97 16281.19 25943.87 23562.18 29538.04 32214.6 31188.35 20405.19 28941.12 29872.13 30553.17 30207.46 O-acetyl-L-serine 8557.72 8951.88 12486.52 8051.8 3349.54 17423.96 18233.73 10088.96 10878.8 17070.56 44884.47 12863.34 17596.58 10305.79 25699.28 10098.05 21417.1 23744.19 5675.83 12244.31 10290.48 8747.16 10474.25 16693.68 11447.54 14078.93 15707.42 15357.85 16896.2 Carnitine isoC4:0 101204.72 171364.63 83026.89 62712.65 154956.02 113395.05 158034.17 99342.03 80309.79 90893.76 105940.22 77042.84 103013.83 120598.74 107479.05 73866.56 140779.62 150559.34 138129.64 72946.17 129439.3 87008.27 70008.16 74711.04 83498.75 109174.15 114335.21 122650.16 113984.53 7-Methylguanosine 2051.34 2328.52 2083.68 2336.31 2467.69 2336.01 2257.54 2288.58 2287.55 2717.49 2084.9 2177.23 2695.01 2192.14 2294.0 2115.33 2059.43 2082.94 2514.08 2615.57 2710.35 2270.5 3050.28 2586.57 2223.57 2309.99 2561.03 2396.42 2396.34 7-O-Methylluteolin 5127.68 7828.47 5056.44 5003.21 5362.03 6911.57 4935.26 4629.56 5199.07 5181.55 4851.87 5450.47 5045.82 5118.04 4671.33 3359.69 5517.78 5141.92 5420.66 5179.75 8872.45 5316.85 8267.22 4919.86 6211.93 5255.84 4643.81 5622.67 5345.82 Glu-Val-Phe 6865.61 9243.3 8407.38 16917.07 7756.76 7749.62 8579.72 7368.65 8170.56 9638.92 4814.67 11057.02 7680.48 6812.07 8770.17 5922.11 18388.16 17760.59 5746.06 11042.42 10462.6 12185.51 11582.48 10215.34 8033.11 9811.91 10258.94 10098.77 10670.06 2-Acetylpyrazine 22524.53 29588.66 29479.0 16514.01 33991.31 21551.07 24331.62 8685.87 13677.63 22128.99 15755.62 20435.64 13053.75 8604.61 18840.09 22943.2 14489.41 39909.53 17789.42 15111.98 15996.36 24218.95 16784.71 18283.65 40763.87 29624.84 28136.87 21718.22 21631.8 Harmaline 7604.02 5597.73 7955.54 7245.28 8274.61 7881.87 7935.33 6041.26 8160.41 7545.98 6056.07 8226.41 5869.68 9388.52 8245.78 6397.08 7030.27 19114.88 7879.23 8297.86 7756.43 7503.16 8361.89 9334.69 7056.31 6204.2 6900.69 7274.86 7757.77 Raltegravir 3626.91 7849.28 4472.25 4522.96 4105.97 5304.95 5092.17 5196.77 4031.24 4724.14 2946.86 3891.41 4195.59 4041.43 4230.85 3072.59 4241.01 4292.28 3870.97 3986.95 4104.99 4162.88 4060.14 4856.35 5614.37 4694.55 4099.93 4398.48 4040.37 Levofloxacin 28572.23 24106.93 16017.59 10536.91 14167.86 21925.32 29235.91 26214.61 7990.26 12994.17 18515.1 22821.25 23073.13 26104.21 9362.68 23862.67 10502.47 24030.85 33518.9 9407.78 20473.14 21561.03 15221.1 18871.47 18015.75 20051.29 20219.2 20691.48 20663.75 Famciclovir 2283.56 2267.16 3138.99 1812.4 1960.35 2628.34 1996.78 1939.63 1725.75 2527.67 3755.46 2633.4 1948.73 1831.49 1784.16 1393.44 761.36 2894.33 2156.19 1519.95 2415.76 2274.25 2183.87 1382.37 2718.85 1707.02 1749.32 2808.96 2866.86 LPC(0:0/20:4) 11865.73 9227.8 13386.95 10898.42 7605.58 9164.4 9590.75 11346.75 13310.74 6091.29 5357.64 11710.18 13087.63 13432.21 6259.73 7334.97 5664.32 14358.62 11827.5 7765.05 11425.89 9431.94 9059.8 11004.61 18915.65 9467.31 10070.58 9705.9 11004.6 Adrenosterone 5548.01 6173.46 5362.26 1958.95 6245.45 5453.14 11819.45 5137.46 5935.56 3232.46 4869.34 8917.71 6793.03 10716.37 4609.2 4060.52 4150.68 996.11 6520.09 5460.08 5380.43 5311.16 2992.61 4171.52 4084.15 5719.49 4997.68 25378.81 5573.81 Dipyridamole 10471.65 17225.67 13297.41 11741.3 9681.09 11674.8 10856.12 13636.31 7671.45 12504.94 11768.7 10852.42 9768.63 11069.72 10110.22 4942.04 10509.23 11448.2 11592.9 10142.98 11697.7 11408.26 10808.04 12112.95 9080.27 10372.1 15189.98 11480.19 11607.43 Palonosetron 13653.0 15538.89 13536.07 13426.17 11980.33 12547.04 12738.96 12846.22 11156.0 11463.23 10108.81 10130.75 10388.38 9639.85 9548.67 10332.58 9522.48 9035.45 10003.94 10479.87 9456.68 8970.37 9060.62 8112.87 7673.45 8970.62 8957.84 9112.3 8250.74 Gossypol 18690.95 19511.18 16114.53 16209.45 17265.83 17680.13 18704.39 15180.76 10782.12 11588.24 15419.51 16756.18 15077.15 16572.58 16367.74 14954.73 11180.28 15344.14 15678.5 19241.68 13106.53 15424.3 13754.55 10861.44 10312.34 13867.35 17062.61 15293.41 14327.61 PC(18:3/18:3) 12564.57 13250.05 11501.21 12341.26 10749.1 12554.12 13116.3 12650.0 12393.09 13519.95 11100.5 15302.7 14813.07 15466.79 20383.15 12151.84 17305.49 12372.4 14326.54 13204.98 14403.42 13259.66 13107.85 7376.33 10112.5 14311.02 13226.47 15793.62 14918.55 Ibudilast 13857.82 21255.36 16044.46 14366.0 14676.39 14834.87 14821.93 13667.96 13910.52 14258.0 14444.55 14504.11 15610.43 14642.39 13646.77 12109.29 15602.22 13975.21 13887.06 14223.68 13535.09 14223.12 15069.41 14329.58 14028.43 15351.15 13885.7 13546.16 13517.89 Inosine triphosphate 158035.6 129690.16 178485.77 158235.67 188804.86 101470.33 176008.54 197216.07 88709.55 108877.74 87027.75 190602.82 126294.28 210008.56 90882.78 105252.67 129713.39 131404.19 229134.13 142863.76 146240.19 192305.28 137938.38 144545.53 195873.1 151453.47 161181.98 163905.57 166906.72 Roxithromycin 5945.68 12008.75 5884.43 5111.13 5209.01 5865.39 3008.59 4038.6 5715.43 6094.84 6637.77 5521.96 5407.54 5904.39 5723.32 6930.29 5273.76 5474.77 5908.76 6112.36 6263.33 5674.09 5672.86 5469.78 5804.56 5445.74 5542.67 5736.81 5994.67 Exemestane 5893.72 4504.12 6491.0 6592.38 6404.18 6309.28 6132.38 6048.1 6008.42 6157.78 5981.94 6414.95 6571.34 6110.37 6168.36 5582.39 6635.72 6201.25 6200.13 5916.3 6970.89 5872.57 6188.6 6564.92 6012.57 6166.27 6192.73 6160.93 6518.26 Hyoscyamine 14802.47 23643.08 12782.49 15094.22 10833.33 17138.97 15316.32 14618.34 10993.65 14606.55 13057.69 11751.08 15331.22 14777.91 13805.05 13043.26 18108.7 17852.93 16626.28 14290.01 16958.29 16400.11 16969.3 19857.55 17089.58 14482.81 14291.18 14137.92 14728.07 3'-Uridylic acid 18483.23 19151.25 20294.97 7070.04 4394.59 30598.71 35823.82 4923.25 87354.4 41164.06 81778.03 112767.51 20654.7 1963.87 75390.89 7304.49 28764.26 31220.83 4570.03 21767.25 35379.49 45255.71 8681.56 100447.39 6911.58 25765.36 21431.36 21168.16 26209.5 Scopoletin 2413.05 4838.58 2206.62 2523.43 2551.1 2798.58 2036.1 1956.05 2024.03 2488.04 1954.96 1380.03 3208.35 2119.71 2608.52 1358.38 2677.23 2935.28 2689.17 3073.96 2168.54 2718.21 2200.95 2308.32 2348.65 2317.19 2367.88 3073.99 1672.82 Arbutin 6169.5 7928.47 3101.46 13986.06 10215.8 3989.01 5770.34 7920.26 6459.25 4735.41 5184.43 3654.58 6326.92 9458.69 4376.19 8882.16 7000.41 8732.33 10019.06 4833.24 4120.86 6569.89 7279.99 7772.91 8516.11 6656.29 6947.08 6710.84 7136.69 Nisoldipine 14072.89 26621.43 14464.95 14781.98 14044.16 14111.38 15203.89 14632.88 14725.77 14525.97 14260.82 13639.27 14252.16 14050.4 15663.97 12258.28 13312.38 15171.2 14347.41 14583.26 14527.09 14902.18 14362.78 14077.17 14363.05 13845.07 14604.78 14125.37 13757.05 Benzoylecgonine 4005.09 7504.04 3396.27 3568.67 3637.13 3410.73 4089.83 3850.07 3616.66 3104.72 4715.45 3831.38 3167.87 3169.5 3898.03 3661.11 3860.02 3309.32 3385.91 3574.69 3125.85 3655.42 3458.48 3354.56 4175.62 3057.3 3494.74 3801.81 3295.19 4-Formyl-2-methoxyphenyl acetate 792.16 1308.12 626.02 577.14 861.82 708.8 988.98 805.99 531.69 764.52 639.13 758.5 923.93 566.63 761.57 749.65 881.54 681.63 755.55 867.48 599.34 2053.63 2367.81 2562.64 2438.27 2-Amino-5-methyl-4-phenylthiazole 1264.46 2001.77 1488.56 723.93 1754.21 1465.62 1395.96 898.09 1857.86 1130.44 1538.76 2041.39 836.96 1156.6 1361.96 1358.31 1693.35 1555.99 1620.2 1333.14 1389.93 896.13 843.39 1832.11 1600.04 2261.48 2156.23 2065.56 3059.61 Procaterol hydrochloride hemihydrate 31723.09 43392.19 28416.93 31986.68 25582.41 32778.3 30837.41 30996.95 28894.09 32484.77 32780.48 25825.98 32250.14 29525.54 29718.44 32857.2 34131.87 33632.13 29904.76 29538.09 32141.7 32091.39 33143.43 34485.35 29584.96 28257.07 28103.39 27736.61 27070.42 Spiramycin 5059.46 8497.06 5690.41 4592.99 5153.64 3305.38 3602.51 5183.39 4199.48 5121.47 3129.23 4128.52 5330.61 5073.09 5255.2 4155.13 3366.46 5100.58 4247.57 3225.64 4896.01 6158.51 5236.88 5055.87 5214.1 3943.83 5453.22 4794.72 5076.76 Lincomycin 6710.95 11848.86 6700.87 6405.83 6110.85 6774.93 6234.27 6410.93 6235.27 6381.56 5473.39 6476.18 6234.56 6264.47 6591.0 4963.18 5993.83 6522.09 6403.05 6332.22 6417.56 6558.52 6662.6 6570.17 6248.06 6652.35 6188.39 6488.06 6317.32 C24:1 Sphingomyelin 1543.39 222151.22 936.01 1956.21 949.55 754.85 1150.88 599.48 511.97 226861.23 706.24 340785.9 3523.94 14996.49 4703.78 12654.29 33404.05 38428.07 44706.46 84520.76 41929.88 184612.77 165198.42 113138.28 Crotonoside 26657.01 10847.85 10355.31 28456.78 17178.36 20024.66 38697.08 29272.55 13691.69 11700.24 22782.94 5443.71 21762.71 40695.95 26786.58 33679.11 10039.8 18316.68 39327.65 32985.93 16205.19 15315.39 31616.06 21724.6 42831.02 29062.49 28196.02 28129.03 31005.08 Octyl-Beta-D-Glucopyranoside 6286.56 8476.46 6909.61 8681.76 9432.56 8000.07 5978.46 7694.1 8155.47 7890.1 23685.27 6789.31 7827.91 7822.35 8921.56 8194.77 8016.6 9364.73 7561.8 5532.69 7624.51 6520.33 8429.72 8645.48 7698.71 5499.23 7274.79 8287.58 7128.64 Pachyrrhizin 5885.65 11183.67 5620.56 6468.13 6115.19 7739.58 6539.33 4678.48 5314.68 7231.75 5179.08 7321.57 6217.69 4728.12 5153.81 4274.44 5922.24 5389.33 5647.29 6624.71 6566.09 6156.61 6321.21 4968.86 4366.47 8107.14 9208.48 10581.28 9751.28 Gly-Pro-Arg 5572.23 9356.77 5707.19 7290.86 4884.81 5840.93 4497.2 5289.57 4037.26 5170.81 4335.49 6428.76 5520.13 5441.25 5521.62 5667.58 5326.31 3890.94 5465.87 5605.77 2692.15 5331.9 5532.34 5403.78 5185.5 5365.04 5695.45 5294.45 2731.75 (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide 4400.13 8305.16 7770.93 5398.29 4272.97 5442.08 4210.57 4385.94 5036.86 3925.67 3943.92 4349.33 5144.96 4709.49 4694.4 4093.5 4537.07 5589.22 4901.37 4697.05 4916.1 4633.84 5327.5 6114.53 4144.85 4750.58 4793.74 4135.04 3958.3 Garcinone D 4859.24 8820.38 3186.9 7635.36 6178.21 6604.68 11654.51 6723.14 4019.26 4098.13 5656.83 8358.89 6648.03 8571.23 7365.34 6157.75 2840.76 6748.77 5101.9 6897.96 3997.7 2492.63 4788.77 3009.32 2757.13 5777.27 5290.33 5500.22 6690.07 Pyridaben 7754.41 6265.6 7307.92 8539.07 7243.18 8089.05 8068.91 6469.92 6208.34 7920.06 4286.79 5912.5 6091.02 5104.58 5949.39 4543.31 6215.45 4606.31 5191.35 6185.42 5210.22 6543.74 5190.49 5125.84 2660.38 4761.46 5056.71 4894.47 4985.38 N-(2-hydroxyethyl-1,1,2,2-d4)-5Z,8Z,11Z,14Z-eicosatetraenamide 20775.7 16947.38 19717.2 17752.65 17894.31 16907.91 19058.64 18635.58 21166.83 22719.27 21149.09 21092.33 22686.53 20422.04 18049.61 17161.47 20477.7 23112.63 20991.56 19901.19 20950.55 20822.24 20858.58 12988.06 20917.82 23268.78 22401.71 22701.56 21715.78 Ethyl cinnamate 9790.31 5164.3 6638.01 5701.51 6154.95 5770.94 6183.69 5567.46 5849.22 5634.88 6036.92 6251.98 5636.86 5649.12 5814.57 5445.7 5412.4 6403.89 6004.68 5657.24 4527.6 5516.73 7109.29 5992.91 5098.53 6456.85 5888.09 6028.8 6190.34 Quininae 3930.87 4526.91 3873.21 4525.04 4290.12 3928.95 4185.23 4284.87 4205.04 3994.32 4896.22 4222.73 4298.4 4378.92 5826.34 5183.9 5147.37 4130.69 4150.38 3792.34 4079.24 3658.52 4068.98 4137.82 3846.72 4306.0 5011.15 3857.75 4139.55 Ferimzone 5940.2 4771.68 5500.55 5307.41 5439.02 4493.95 6272.4 4694.63 4322.28 4034.02 8807.71 3664.09 4404.83 6041.28 5426.32 4632.32 4946.04 5479.73 5145.89 6256.23 4675.26 4755.16 5101.81 6074.0 3729.66 4120.43 4255.2 5122.64 4862.79 15-keto-PGF1alpha 7857.46 13068.16 7344.66 8114.39 7867.96 8538.6 8650.1 5020.45 7962.06 8884.11 8345.83 7900.51 8762.13 7895.15 4873.09 6455.5 6432.97 14153.8 8647.6 8197.9 17603.92 2288.67 7716.83 10917.37 10000.99 8403.45 8371.07 7422.41 7782.22 2-amino-N-cyclopentyl-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide 2261.0 1893.62 1608.89 1108.66 2196.65 1739.58 2035.75 1473.29 1296.31 1575.09 977.15 2275.61 964.68 1899.0 2193.13 1802.45 1209.63 1442.93 1963.51 1248.37 2146.36 2602.58 2482.98 2342.51 2810.24 2350.18 2335.12 1793.1 Deethylatrazine 9980.74 13222.29 6471.45 13192.3 8158.88 5840.72 9981.8 6315.59 5994.68 5346.98 6781.19 28413.54 9331.74 5715.6 9465.26 8555.54 4840.27 5499.32 8570.91 4679.64 5619.09 5836.77 5495.77 5929.87 5856.82 9668.71 16715.65 4414.47 4029.07 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-1-cyclopentenyl]pyridine-2-carboxylic Acid 12338.96 3872.49 10308.22 10435.65 15484.25 12419.1 8249.22 13132.26 12999.21 6232.72 13454.61 14263.09 8447.07 12675.77 26149.77 11655.43 11645.34 11163.84 12807.16 15257.35 9308.22 10983.86 14395.24 11225.2 12998.08 9827.03 11365.73 12064.23 7392.97 16,16-dimethyl-PGE1 2874.07 5072.44 2515.11 2363.48 2250.25 3160.93 2503.41 2085.16 2766.86 2326.88 2380.29 2140.39 2186.11 2225.24 2408.67 1980.82 2421.46 3394.72 2762.18 635.31 2092.43 2529.77 2310.95 3280.51 2787.26 2096.66 2603.35 2580.79 2854.59 Tolperisone 16847.57 14881.57 27596.25 16921.13 16944.44 17201.6 16397.13 16628.53 17421.93 17032.97 16569.72 16769.06 16428.59 16341.57 28620.7 15273.58 16752.06 16217.22 15726.12 16622.72 15960.5 16297.38 16209.63 16324.7 16660.86 16380.08 26839.9 26741.18 16060.51 Losartan Carboxaldehyde 2074.86 852.84 2316.04 3736.55 2358.13 2295.92 3055.41 2447.71 3102.56 2579.5 2767.62 3201.76 2218.63 2250.88 2659.98 3330.8 2835.88 3199.1 2904.12 2778.14 2755.13 2506.79 3197.01 3996.49 1990.67 2828.48 2589.13 2695.16 2267.58 Benoxacor 2648.76 2408.85 3226.53 3498.48 2899.44 2296.42 1760.99 3904.94 3543.27 2961.66 1589.75 2940.25 3401.94 2407.69 2284.44 3102.07 3047.51 2724.25 2389.7 3178.26 2992.02 2491.71 5768.12 3263.39 2252.45 3290.55 1993.11 3891.01 4431.27 Taurolithocholic acid 28541.73 40792.58 37403.69 26491.31 34394.13 26324.28 24324.52 43335.1 28920.51 22809.84 21478.9 19862.9 21376.67 35971.6 22551.52 25562.56 26143.3 37329.05 5379.59 22504.59 29524.75 14111.34 24914.13 25671.87 36176.82 28488.1 25172.3 27739.46 30305.42 PE(18:2(9Z,12Z)/18:2(9Z,12Z)) 11944.46 60881.91 23330.1 68458.36 18387.43 26880.99 55162.47 90797.84 25463.45 20956.93 111231.82 114409.52 106565.49 20863.41 108079.94 3267.39 122529.17 52563.78 126692.31 25817.44 99846.22 128756.19 79799.61 98306.58 108367.43 125279.3 127382.05 101907.33 112026.99 Terbutaline 3280.0 2451.05 3178.07 3421.35 3299.23 3686.98 3328.1 3490.09 3378.39 3483.63 3757.43 3684.44 3349.33 3337.03 3570.79 3117.8 3619.24 3409.89 3175.23 3189.12 3914.21 3636.06 3647.19 3691.65 3692.37 3471.45 3592.22 3569.22 3441.13 Tricaproin 6918.08 13254.88 6477.07 5103.94 3847.32 13649.26 4840.59 23710.05 38551.47 14467.33 9597.38 17817.29 21976.82 30763.89 10153.03 12547.44 3353.54 3419.95 9405.89 7212.2 18971.09 15028.65 10793.27 12534.59 4283.18 15008.42 14218.77 17645.2 13364.44 (+)-Isomenthone 5958.14 11996.42 4540.24 5240.33 5679.13 6511.89 5657.57 5410.1 5090.28 5971.05 6504.14 5019.6 5628.59 5463.25 5127.77 5314.45 6430.74 6388.46 8767.83 4247.6 5451.94 5406.4 6633.01 6792.85 5140.28 5636.28 5606.04 5158.23 5714.46 2-Dodecenal 9581.35 6736.7 7480.43 8615.22 5563.34 10924.61 8015.55 8125.3 5357.4 7777.04 5116.53 5563.37 7312.33 6853.47 5961.18 5861.53 9636.07 8451.48 8110.27 6736.45 9507.9 7325.84 7619.82 9124.5 8235.71 6491.81 6788.67 6221.25 6409.66 Amiodarone hydrochloride 7042.9 11074.9 6205.03 6167.16 4611.25 8936.63 10083.2 6602.79 11980.92 10909.46 13684.53 12687.67 8662.61 5933.61 10045.16 5277.16 9783.44 11247.0 4695.58 9896.52 8912.45 9265.54 7946.17 9903.27 8959.79 9392.9 9289.82 8443.02 9173.88 Methyldiphenylphosphine 43341.7 44657.43 40110.85 43185.77 41605.74 40758.0 30082.9 41944.22 41688.33 32454.58 37109.54 38973.49 44232.03 41685.86 38352.81 39387.39 42281.0 42593.06 42932.23 23747.25 32216.63 39283.62 42709.74 40199.19 41970.53 39879.13 41117.91 41059.37 42674.98 Oxybuprocaine 20862.56 41361.15 19332.29 19796.14 17489.67 19062.2 19499.88 18857.06 18753.07 18808.98 21957.43 16859.03 21652.78 18257.47 18861.64 26093.87 19477.28 18664.45 18898.7 18867.96 17557.43 18528.81 18715.27 19481.43 17957.26 19156.64 18778.2 18857.4 18454.92 6,15-Diketo-13,14-dihydro-PGF1alpha 696.6 5161.52 2212.38 3044.43 3563.22 1150.37 2263.54 2668.07 633.32 2008.04 501.86 2243.61 1029.94 2780.93 1781.02 2024.06 6094.67 2658.43 1988.01 1177.62 2356.35 2582.74 2053.2 2265.59 1640.57 1922.66 689.24 1842.71 Spinosyn D 3906.83 8662.7 2393.0 4633.79 3326.57 4844.79 5418.37 4224.02 4317.55 4689.96 5637.49 3754.78 4684.48 4264.25 5870.31 1921.59 3971.36 5612.46 4624.34 4493.13 3630.68 4850.95 4385.89 5032.61 4787.06 4419.5 4865.97 4819.65 4386.9 N-Arachidonylmaleimide 2171.3 4065.69 5337.78 2065.22 1761.56 5064.7 3171.94 13547.67 5188.35 4824.71 1991.63 6043.12 5085.03 11721.77 1579.2 5622.78 1559.11 1970.02 2755.85 3358.99 3019.61 5147.51 3365.55 3308.4 2112.54 6462.8 5852.39 4653.95 3893.83 HMG-CoA 2287.33 3930.85 3494.04 4728.41 4219.67 1441.89 15675.35 1854.89 1408.93 2362.12 1173.32 3515.36 2994.25 2052.63 2730.07 1104.58 4194.43 4925.44 2026.05 1757.8 1996.61 2377.27 3880.26 5169.87 2818.28 3605.97 3676.18 3419.75 3385.06 1-Stearoyl-2-Arachidonoyl PC-d8 4132.76 876.4 1469.22 4480.84 4027.25 3568.08 3577.39 2969.62 3461.16 3971.52 3626.46 1626.02 2712.4 2810.78 2608.54 1940.38 737.72 3374.89 2560.84 2991.9 3272.54 3527.02 2363.94 2651.7 1531.4 3126.92 2920.66 3032.81 905.85 Cholesterol hemisuccinate 3691.13 8428.78 3724.46 4405.75 3736.53 3426.05 3798.91 3092.13 3876.94 3855.74 4769.09 2520.4 2740.52 3208.76 3527.75 3995.57 3245.78 3922.28 3086.52 3787.2 3769.76 3755.46 3866.64 3070.4 3769.15 3863.76 4336.82 3487.43 3916.0 D-xylulose 2986.14 5866.0 4226.54 10564.67 3547.82 5181.7 6280.15 4748.71 5314.39 5495.11 5579.84 7115.98 4802.22 6177.75 3767.34 7794.4 8235.43 10641.62 4954.39 7565.72 4353.96 5107.02 8096.95 5498.34 11111.51 5421.57 8355.15 5444.76 5590.83 Fuberidazole 6696.68 11401.31 6297.61 6802.87 6381.62 6879.49 6324.26 6267.36 5847.06 6630.69 7525.76 7442.92 6653.46 6350.3 5969.39 8810.57 6557.79 6769.54 6555.34 8038.56 7640.45 6350.75 7121.29 8730.49 7564.01 11035.73 11355.2 11461.26 11568.23 Doxylamine 4283.39 5320.68 2607.25 1080.56 5286.03 4172.05 2938.51 3491.66 2792.48 2405.22 2498.21 4120.23 3817.47 3468.52 1354.62 6549.56 2732.93 4080.11 3626.5 3212.46 3702.77 4436.5 3691.24 4201.31 3780.81 2450.18 2395.98 4572.45 3918.88 Capsidiol 2497.05 3833.46 2461.58 2280.39 2366.26 2366.82 2260.12 2444.34 2232.46 1783.8 1613.87 2161.25 2348.37 2523.02 2074.15 2538.14 2687.27 2380.86 1989.11 2527.57 2394.45 2634.29 1778.5 2422.93 2535.31 1837.24 2231.77 2413.49 2476.62 Ethinyl estradiol 7406.88 16959.73 7680.25 7651.68 9288.5 6827.36 7368.83 8167.93 7909.49 7275.26 7943.61 7799.75 7365.1 8636.51 7231.52 6255.27 8472.17 8071.1 8155.02 7959.94 7616.74 9191.27 8176.51 9689.14 6856.06 8211.19 7104.06 8214.39 7667.64 Flurandrenolide 2300.46 2454.57 1000.38 957.55 971.29 978.8 2256.84 902.25 1984.46 2590.59 1648.23 1527.25 1402.13 1785.21 942.05 992.7 857.83 4124.26 1458.54 2192.27 2466.58 1404.37 2262.39 2244.28 1756.77 2088.68 1911.72 Colfosceril palmitate 3661.6 25667.48 7209.22 5777.41 7093.89 11137.03 19039.94 41222.54 12023.31 12048.46 37846.9 26018.73 37748.81 34091.7 40753.39 4412.05 43775.05 39443.56 36621.97 32013.93 25750.54 31071.69 43208.03 37351.92 49828.93 27787.89 44677.39 37347.4 25104.92 Hexobarbital 3370.62 2427.17 11195.67 3867.45 3909.02 5063.44 3328.72 4057.11 3233.65 3556.62 2742.37 4846.94 3022.61 3229.38 3300.5 2273.26 2755.97 3459.35 4332.87 4279.87 4084.89 8445.74 5912.17 4732.2 4179.86 2927.74 7739.64 2308.27 6339.06 Tricosane 19051.52 15518.17 18397.88 14649.49 16020.32 15470.53 17527.31 15579.74 15235.33 14122.49 16122.44 17712.46 18156.48 18001.67 18107.3 13898.68 17089.63 17685.91 17279.42 16204.24 15345.4 15582.03 15948.39 17532.34 14979.83 18101.2 18499.84 17382.06 17549.2 Ajaconine 20407.37 22019.24 11927.47 12286.35 15183.05 13419.16 12724.14 12676.54 12951.52 12549.6 15094.49 13718.29 12421.68 11785.92 13314.86 12392.26 12403.84 12955.05 12771.82 12643.44 11865.21 12964.0 12379.93 13006.3 12758.19 12103.64 12244.41 12417.37 13099.58 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine 29579.52 502.9 47156.11 4570.86 28607.23 5492.37 4015.72 23966.99 34209.14 27816.76 23326.88 33422.73 19072.34 55557.63 41619.71 33105.76 51505.55 24769.54 Retinal 2710.81 3831.32 924.03 1951.49 2081.54 3148.43 2418.28 1737.43 2062.81 2323.72 2269.01 4356.48 2320.97 2553.99 3458.11 2569.75 1472.11 2427.19 2208.07 1921.42 2028.83 2778.83 2016.9 2572.18 2275.26 2691.06 2173.16 2124.21 2118.57 N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide 6630.43 6062.91 5046.99 8651.98 7551.31 5337.61 6518.07 8691.38 7872.81 7792.65 4780.13 6747.98 6750.67 8397.79 4423.22 5192.38 5667.73 7527.56 6063.18 7840.37 6107.86 8384.84 6136.7 4098.18 4282.86 6119.53 5958.99 6211.15 6251.45 (Z)-Octadec-11-enyl acetate 8243.38 4682.12 4662.09 5702.34 7131.67 5858.25 4561.44 3933.44 8325.71 14700.78 13671.18 8688.83 8891.05 8310.89 7329.96 8743.93 11847.65 8436.85 8091.54 6852.8 Beauvericin 2599.06 3913.32 2231.71 3067.41 2633.16 2095.33 2429.58 943.48 1245.29 3132.58 2117.3 1463.4 912.22 1315.26 2909.28 1081.3 2104.28 1252.3 1391.62 818.22 2087.79 1881.22 1305.27 2466.19 2012.63 2525.5 2468.5 2014.93 1200.62 Myo-inositol 1,3,5-trisphosphate 95966.29 93406.19 96047.42 96416.71 97315.52 75374.28 95403.6 90139.24 74850.65 92306.6 82763.21 92787.25 76137.76 95054.35 80394.49 75854.06 91737.88 92466.94 84715.18 69472.07 76131.36 75603.64 85274.44 80997.42 82642.67 76398.54 75355.31 71257.72 71730.51 Linoelaidic acid 3962.72 4632.12 2398.08 4552.53 2806.85 7596.26 7066.93 4788.26 4703.0 4798.23 5396.43 4082.69 5997.98 3975.45 3461.55 2744.89 3654.3 2291.88 1975.48 1837.4 2732.09 4436.68 5112.52 2817.15 1916.02 10919.11 4430.97 4366.74 3616.47 4-Hydroxybenzyl alcohol 57907.1 64005.56 67443.1 60608.35 70775.88 57837.0 62981.77 68372.78 78393.8 73843.32 75921.35 82163.19 63074.9 67454.88 90689.39 96355.97 65907.08 68863.93 75199.96 173686.89 54815.2 61060.07 64704.23 90264.84 97192.07 59213.63 97342.64 180281.13 88841.19 5alpha-Androstan-3beta-ol 4468.32 2992.79 3244.59 4112.86 2994.15 6168.24 4426.25 3840.74 4908.62 6340.46 4235.59 4965.52 4673.52 4087.27 3630.3 3942.82 4792.05 4479.56 4507.85 4036.22 5506.45 4165.95 4296.55 5127.14 4773.29 3334.36 3804.97 4761.51 4844.44 2-[6-(2-Hydroxy-2-phenylethyl)-1-methyl-2-piperidyl]-1-phenylethanol 3556.69 6370.03 3411.48 3727.62 3460.88 3758.1 3697.34 3649.78 3689.73 3795.58 3991.11 3571.53 4883.21 3668.18 3459.23 3811.43 3941.88 3545.08 3158.1 3004.63 3629.48 4216.02 3809.62 3811.15 3556.4 3683.83 3471.89 3583.48 3712.64 1-Phenyl-1,3-eicosanedione 2500.47 3578.16 1948.01 2467.24 2346.91 2423.86 2295.0 2302.55 1925.18 1142.38 1625.71 2155.36 2164.54 2189.75 2436.76 3688.26 1686.32 2448.05 2070.11 2136.71 1738.23 2160.59 2128.96 2049.41 2056.8 2092.58 2322.73 1793.66 1830.03 Docosyl acetate 2623.71 2295.69 2408.24 1622.89 2304.94 2162.45 2413.24 1762.79 1780.03 1611.14 1464.66 2464.51 2356.44 2373.68 2355.0 2123.31 2813.38 2661.61 2491.62 2216.56 2115.38 2378.1 2137.84 2035.84 2520.34 2575.85 2446.56 2632.35 2794.55 (3E,6Z)-3,6-Nonadien-1-ol 40759.22 95042.7 41239.93 40424.33 40739.35 41201.3 40385.35 40131.81 39344.51 40491.76 43098.91 41134.67 40286.96 42845.05 42886.63 37892.19 38972.57 39746.7 39478.07 39834.93 39592.2 40043.07 39888.34 39608.73 39857.93 40239.2 40544.86 39441.19 39833.02 Butralin 2757.66 3419.9 3182.4 3604.38 2549.37 3651.49 4829.61 3893.41 3042.68 2970.59 4236.5 3521.86 3494.47 3123.94 3101.41 2529.9 2363.24 3316.82 3106.14 4375.38 3757.89 3405.14 2820.26 3112.0 3616.88 3781.99 3291.23 3737.04 3502.44 Phosalone 14398.78 14412.61 10116.87 10463.69 10068.57 10244.95 10960.09 10298.14 10364.98 10233.6 12151.72 10011.66 10123.05 15731.18 13134.52 10124.24 10131.45 10202.29 13416.43 9848.48 9885.92 10257.03 9538.83 10226.71 9616.5 9485.98 13103.74 9892.75 9590.36 Probenazole 1052.12 1108.66 2779.36 3379.54 3113.52 835.7 1468.84 2101.09 3065.39 3876.19 1759.15 659.07 3502.85 2622.4 1408.91 2815.73 1353.26 1408.34 1657.66 1287.54 1694.16 3754.21 1523.25 1024.85 2570.76 2768.02 1576.37 2512.28 S-Methyl methanethiosulfonate 12033.47 15982.77 12424.03 16216.7 13681.53 15647.19 12004.66 12386.0 9504.6 8073.58 9336.78 6738.44 12070.23 16733.76 11360.31 8401.19 11777.4 10845.91 15643.03 12674.91 11422.92 9011.93 12835.08 6077.04 13428.42 6789.59 5760.13 14008.81 11973.33 2-Methyl-5-nitroaniline 7312.78 6759.51 6600.82 7001.27 6491.88 5976.65 6731.83 6422.2 6832.58 6968.27 5545.59 7077.76 6546.62 6732.35 7292.96 6175.66 6928.3 6882.13 6723.86 6799.88 6469.23 6797.64 6510.38 6340.77 6640.37 6126.19 6559.21 6916.73 6059.32 16alpha-Hydroxyestrone 10251.95 15711.1 9801.46 10116.77 10233.68 10311.33 10335.82 10277.22 10812.11 10445.56 10461.45 11055.62 10634.1 10298.46 10780.2 8827.25 9655.79 10040.81 9502.07 10216.13 10018.9 10871.36 9859.57 10503.59 9188.21 10094.94 10153.24 10216.29 10430.37 Alpha-L-Fucose 2557.9 3275.94 2347.32 2896.33 2806.78 2988.81 3477.78 2931.3 1511.99 1812.25 2454.9 3187.28 2773.07 2851.01 2987.02 2517.85 2168.9 2591.32 1866.37 2620.0 2206.02 2051.05 2471.25 2290.65 1503.29 2419.24 3030.95 2455.87 2484.84 1-Arachidonoyl-sn-glycero-3-phosphocholine 30465.98 19309.65 30123.08 37430.52 20476.17 19381.89 18295.12 29855.56 36283.4 23346.25 8163.47 22064.15 22943.37 25101.79 18687.47 19151.4 12417.35 37650.26 28872.12 19785.58 23203.28 24166.9 16403.86 23370.07 46597.58 23796.47 23397.03 28183.98 24117.41 beta-D-Galactose 18481.25 4750.26 1324.12 1616.94 15933.85 22001.32 4495.36 22253.95 6824.69 24956.43 22932.25 10288.17 27909.39 22488.27 18323.57 11860.82 32465.48 30628.1 17970.77 10556.46 17551.65 15479.98 16372.55 11676.07 23835.77 24795.32 28286.07 902.92 8,8a-deoxy-oleane 2220.5 4866.74 4919.37 1666.17 653.0 6859.54 4419.87 16400.45 13337.84 5828.62 2260.97 7833.84 7006.06 14217.34 3019.22 6895.49 1880.99 1759.73 4141.31 3081.74 7678.75 5353.5 2957.42 2342.43 805.38 4018.64 7003.19 3189.93 6747.49 4-(1-Hydroxyethyl)phenol 19798.84 15312.68 9721.49 19029.14 15405.85 7250.73 13140.27 18902.8 7238.5 16450.66 13637.76 12877.67 19419.43 18361.88 20464.64 5085.08 5509.03 6869.38 13105.72 22133.92 9517.11 17824.56 15880.54 20076.67 13138.65 6060.61 9091.15 17605.4 12110.35 17alpha-Hydroxypregnenolone 5524.46 5673.49 4837.9 5510.15 4457.72 5153.57 5289.23 4423.8 4440.16 4861.05 4727.87 4763.51 4493.0 3763.35 4509.99 6013.17 4522.34 3720.45 3856.89 3708.39 4009.49 4676.26 3818.21 3165.96 2768.06 3533.88 3640.33 3812.3 3912.92 4-Methylene-L-glutamine 31765.2 31207.42 31741.81 30777.6 28825.73 31431.26 33009.6 13783.1 30290.45 31928.72 30108.79 24899.02 30822.29 31568.55 30077.03 31237.17 29637.74 29230.87 30589.64 30085.97 29366.08 28639.85 28494.81 28848.52 29428.35 9432.26 30007.76 23542.71 11222.54 4-Phenanthrenecarboxylic acid 720.79 3351.58 583.23 933.15 1512.95 1148.25 972.74 1291.47 1638.62 1882.15 3685.26 3676.98 2151.2 2546.37 2695.67 1922.3 2723.81 2756.88 3922.88 4036.56 3395.3 3843.64 4043.66 3629.79 4014.98 4070.46 3978.81 2914.38 3723.98 L-Rhamnulose 1-phosphate 16298.21 15928.26 14103.24 16707.99 16400.47 14586.96 12966.16 16484.82 9894.41 15275.04 14585.89 15771.35 14701.94 14844.41 14924.67 15570.02 15079.98 15684.91 11869.21 19057.83 16640.63 15131.75 15461.44 14158.32 15171.84 15308.78 15640.14 9120.87 12683.58 4-Sulfobenzoic acid 15810.69 17449.52 16072.23 15446.29 16744.28 10529.14 16555.35 15496.83 12074.58 16032.81 13969.52 15157.51 11733.68 16434.82 13428.65 13471.15 14344.76 16788.85 14452.0 10825.78 9231.88 12011.71 14891.65 14001.88 13397.46 13425.53 13283.86 12317.21 11054.76 Methoxybauerenol 4433.16 3336.08 4225.57 4148.78 4308.31 4341.95 4219.9 4367.19 3951.61 4529.55 3772.18 3732.92 4014.95 4385.05 4079.44 3440.61 4122.48 4234.1 4059.05 3947.44 3761.99 3855.05 4235.74 4079.83 3931.31 4073.16 3971.81 4009.96 3692.58 2,5-Dihydroxybenzoic acid 13952.89 4821.21 12360.32 13748.83 14632.97 13250.88 14213.38 13440.21 13155.46 5435.39 13050.99 13640.96 13834.36 5836.64 12590.44 4975.95 12896.28 4393.13 12337.46 12013.34 9817.84 2640.67 12765.77 12992.51 12885.27 11605.62 11255.54 4298.07 4119.26 L-2-amino-4-(aminooxy)butyrate 1437.59 1195.66 506.82 2129.21 2027.79 517.25 2097.66 2857.16 1483.41 2456.69 2593.19 973.03 2819.47 2275.2 982.45 736.32 660.39 920.28 1061.01 1935.73 1990.2 1739.74 870.85 1992.92 Hydroxyacetone 2371.71 1688.89 2429.12 2467.0 2112.45 2034.95 2503.43 1736.84 3007.59 2876.68 3603.66 3196.09 2365.69 1482.09 2726.06 2213.93 1612.04 2840.13 2250.04 2842.79 2791.29 1229.48 2486.03 3258.4 2504.63 2229.69 2526.69 1988.51 2193.55 Picrocrocin 2420.4 2876.78 2192.58 2520.86 1859.31 2378.05 1861.05 1886.55 1820.44 2709.7 3510.68 2239.72 3389.49 1936.35 2026.1 2182.66 1411.82 2030.41 3680.22 3288.14 2406.38 3094.6 1818.05 2440.46 1857.71 2436.32 3144.57 2278.66 2435.37 6''-O-Acetylglycitin 1703.38 2801.78 2103.32 2274.91 2138.92 1876.26 1661.79 2846.29 2150.07 2105.28 996.81 2418.43 914.55 2063.78 2000.98 1621.11 1323.32 1614.12 1616.88 2451.54 2046.09 950.62 2208.97 2141.24 1345.59 2049.84 1346.33 1552.65 2129.36 Pedilstatin 5132.28 21195.32 16256.45 16271.06 15557.4 17130.69 14970.37 17189.38 17179.75 16318.89 13240.6 14993.31 17401.06 16368.83 15896.9 13395.21 16828.14 15984.71 18269.6 16367.33 6897.97 15322.86 15693.41 15492.19 19125.45 14896.55 16235.87 16907.49 4560.39 Monoethylglycinexylidide 2898.48 4313.9 8015.4 13561.11 7642.29 2160.21 7349.66 2752.31 2281.08 4841.28 2036.61 1662.87 3167.71 3255.93 3762.16 1297.32 5624.72 9254.15 2638.9 6903.69 10890.88 7379.69 8260.43 6771.1 4372.12 7109.16 6403.36 6173.11 6244.62 Carnosifloside I 3556.95 7834.96 4711.75 5071.43 4574.09 4586.59 4714.78 6544.54 5536.13 4334.07 3141.73 5814.5 5417.36 5056.59 5619.44 2736.59 4485.09 6264.05 4833.47 4887.37 5085.82 5322.4 4428.4 5260.45 6115.98 5462.48 5574.24 4392.5 5318.47 A-Nor-5alpha-cholestan-2-one 3002.42 2407.57 3016.19 3067.79 3117.67 3151.84 3007.49 3003.29 2961.57 2951.12 3629.62 2786.35 2859.2 2969.78 2868.92 2724.94 3038.03 2761.52 3302.34 3305.86 3478.37 3042.15 2535.95 3041.25 3387.22 4527.04 4766.49 4642.65 5105.4 Phosphoguanidinoacetate 11215.32 5157.59 6927.41 6899.88 4912.47 6162.15 5448.73 8268.7 10544.66 5451.67 18974.28 24356.26 3082.25 5365.22 4484.17 5370.84 8750.25 3655.3 13218.32 20460.23 7160.85 9455.28 12458.1 17423.28 6536.68 7141.46 13594.76 3972.88 6899.19 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide 938.79 809.35 1767.68 984.08 1084.43 2753.75 1252.54 862.22 525.59 1329.83 1107.47 2488.26 1083.26 1875.48 1513.62 2132.4 1950.27 1921.97 1649.08 846.82 2147.22 1663.95 2066.63 1860.16 1466.96 S-(4,8-dimethylnonanoate 22348.1 19415.59 20879.72 27910.97 18394.65 9346.43 20194.26 22986.36 10462.96 18628.18 13657.92 7412.51 24464.22 25666.3 12502.43 12588.18 22480.58 13364.99 17606.31 21264.69 18929.37 20772.82 22104.06 15082.31 20194.66 19241.88 18865.31 19008.19 19058.36 1-O-Indol-3-ylacetyl-beta-D-glucose 4700.3 2847.3 2915.09 1295.35 1575.24 3609.3 4520.72 4177.49 539.13 1511.8 2719.78 4332.79 4052.34 4862.88 1009.87 4877.13 1500.9 4495.19 5568.92 998.13 3563.19 3679.2 2948.96 3579.6 3173.44 3621.36 3746.41 3621.71 3867.15 L-altraric acid 10123.92 14336.97 11147.56 13244.29 12651.45 22299.62 23803.93 11529.71 15709.78 25471.04 17959.2 16337.32 27294.22 28287.14 17028.5 13723.36 11310.18 20527.74 21762.33 19330.15 12713.29 11796.33 23229.89 27853.26 14301.89 31679.15 30382.15 29563.21 29966.75 Fumonisin AK1 786.46 1970.69 1351.77 2149.21 2782.56 2082.68 2714.26 2320.44 2536.8 2058.68 2021.09 1789.44 2147.57 2509.98 2195.16 915.02 1582.74 2730.82 1508.29 1459.14 2479.87 1564.38 2554.89 2941.78 1504.38 1981.22 1419.94 2419.82 1963.17 all-trans-Carophyll yellow 24850.67 13105.93 23165.47 23605.91 21438.7 23742.91 21998.44 15899.95 19334.74 18964.46 13204.25 17579.23 17784.71 15688.78 14169.23 13407.44 14491.32 16353.13 16873.23 17231.43 16129.43 17133.69 16762.33 15541.55 13862.27 2503.27 15160.43 16549.35 16189.74 Glycolaldehyde 21162.79 30964.66 42524.34 19709.41 19587.28 17595.49 45142.74 14691.2 14750.15 40133.96 28961.83 20616.69 15083.76 24130.56 25682.63 20873.6 18848.26 16945.61 40462.57 18731.58 21826.24 22225.71 24852.71 9765.22 40652.13 20283.39 23936.59 38648.48 39437.77 Dibasic sodium phosphate 61271.29 58623.02 58982.13 58714.88 58156.57 58838.09 59421.9 58640.14 50541.86 57861.18 60357.09 59341.36 58242.03 55980.88 53761.5 72922.72 24663.43 54026.11 56597.45 53840.92 48645.41 58289.41 53796.27 51873.63 48745.39 56981.38 55344.96 54072.23 51690.56 Tubulosine 3228.48 4061.07 3874.92 3469.95 3323.78 2185.37 3682.99 3980.23 3519.01 4390.37 4122.28 3330.6 3089.5 2104.08 4648.74 2743.02 2808.25 4356.16 3918.95 4804.21 2295.37 4057.48 3698.84 3428.12 4321.66 3930.95 4066.69 3467.82 4366.89 (R)-beta-alanopine 26207.94 24390.66 26397.96 24670.67 26919.73 24342.82 25709.76 24608.32 23795.61 25570.22 23212.25 25378.13 23132.52 21555.49 24745.25 22172.3 23939.73 24929.5 23519.92 22768.01 24479.83 23511.46 23609.24 22694.35 25000.66 22501.6 23463.58 23235.2 23137.3 Geranylgeraniol 12539.26 17275.4 11700.02 11709.06 11465.38 12272.34 12771.88 11309.42 8896.39 11604.13 11739.68 11746.27 12632.81 12095.33 11751.47 10486.44 11677.89 11472.93 15439.32 12456.24 11796.46 11788.63 11284.62 11727.26 12130.38 11484.23 10989.67 11709.72 10869.03 Ginsenoside A1 2489.79 6673.16 3564.87 2673.02 2556.0 3399.27 3014.96 3462.62 3434.22 2473.12 2729.52 3417.45 3416.82 3115.75 3698.57 1731.98 2591.48 3298.03 3058.03 2939.01 3715.27 3424.38 2800.52 4063.15 3489.29 3197.04 3709.26 3454.32 3863.95 Mycaminosyltylonolide 6866.74 1963.3 9999.07 9472.57 9589.55 10025.59 11618.98 13144.63 9381.57 8581.92 5362.8 16392.43 9115.12 10121.86 8111.79 7220.16 8924.9 10020.91 10030.74 8673.91 10919.52 8604.53 6711.19 9728.4 6101.23 11689.78 9922.39 6284.79 15472.01 DL-threo-beta-Hydroxyaspartic acid 8507.82 6253.06 14712.01 7838.83 12834.16 14812.51 17429.82 14758.28 14656.51 14950.94 12642.86 16288.27 15408.77 17303.62 15275.16 21628.53 15239.09 15287.21 14675.58 14819.74 13932.28 16888.44 14646.53 15658.73 13789.88 15550.94 18007.87 16878.23 15027.53 6-Acetoxydihydrotheaspirane 1787.84 1095.4 2071.48 974.46 1467.92 882.74 1065.91 679.32 1112.44 911.7 893.29 1192.23 948.18 1737.32 901.65 1414.68 2205.31 2647.9 1110.3 682.13 1767.25 1727.26 1942.32 1301.24 1635.14 2588.6 2709.19 2655.92 2641.34 Phytonadiol 5998.62 2829.9 8246.51 3107.83 6008.57 1841.94 4691.49 2323.38 2962.19 3858.45 2613.04 1750.9 3981.69 5881.08 4959.71 3155.81 6323.43 7350.43 2739.22 2968.63 4748.57 5669.93 6092.26 3970.09 6056.64 11636.09 14137.07 11755.31 11518.54 All-trans-heptaprenyl diphosphate 8642.98 15557.9 9402.51 10563.46 8508.72 9753.37 9766.07 6005.71 8989.13 9239.52 7112.98 5714.18 8098.2 8526.26 8812.8 6841.77 8624.45 9101.87 9004.34 8731.93 9142.37 6757.67 8813.66 6613.61 9190.82 8958.89 8911.87 7876.71 8888.43 3-Hydroxy-2-naphthoic acid 8103.15 11367.72 7321.82 8810.82 7491.21 9025.27 9673.32 8144.39 6182.09 2639.11 6391.84 8342.54 7521.65 7088.35 6997.87 5417.8 6158.91 7510.53 6553.89 7968.77 7115.19 6623.9 6946.56 6077.54 5730.66 7020.68 7384.94 7200.29 7054.39 Deoxybrevianamide E 3798.49 3988.07 3679.73 3214.18 4086.93 2951.75 3052.56 2680.86 3664.35 5150.28 2282.15 3679.57 2894.05 3252.49 3382.83 2185.79 2838.64 2351.55 3324.04 3290.87 2850.68 2898.49 2847.62 3438.23 2708.28 3050.98 2302.88 3179.92 3784.44 L-Citronellol glucoside 10144.77 9129.69 6468.56 9527.41 3433.22 11949.22 12841.66 7598.67 6898.51 9969.13 9521.61 4628.93 10168.63 11496.89 8375.85 7091.82 10076.02 9878.21 8512.82 4587.66 9588.98 9660.56 10007.26 11611.07 9134.56 8037.48 7364.33 6271.82 15066.8 Erythromycin B 2421.82 6953.83 2583.98 2886.49 2576.46 2959.74 3442.57 1895.94 2889.47 2748.05 4187.75 2731.05 2561.62 2459.26 2241.16 3241.35 2746.59 2717.68 2188.57 2412.0 3029.53 2664.36 2216.84 2454.57 2590.51 2418.55 2630.73 2696.06 2517.69 Citbismine B 2242.17 1112.01 2238.8 978.02 1888.98 2453.08 2595.68 2033.84 2348.71 2365.02 1545.91 2566.29 2137.31 1058.31 2650.94 1226.94 2047.04 2186.58 1713.85 2287.75 2702.23 2492.46 2174.44 2541.51 2163.25 2047.61 1987.3 2060.53 2130.61 Lucidine B 5241.37 7545.27 5837.93 5673.15 5507.51 5499.61 5267.19 5034.86 5284.4 5300.11 7128.0 5502.09 5234.79 4894.83 4980.43 5043.28 4784.99 5253.25 5012.94 4773.27 4794.67 4698.45 4318.96 5124.06 4848.09 4600.44 5094.64 4815.11 4699.96 Mirasan 5941.8 6873.87 3176.95 3200.89 3947.18 3682.11 5866.44 3327.95 5151.51 3344.17 5944.45 2605.27 6309.59 5483.73 3432.65 3720.99 3116.95 5925.55 7315.33 5417.33 5898.13 3313.75 3036.26 5022.66 5240.76 5421.84 5252.86 5613.72 5793.94 Scymnol 3737.34 3559.13 1147.15 2411.45 1838.35 1024.93 15700.04 5719.74 4088.35 5344.24 1231.76 15788.59 2408.67 3136.37 1794.09 4896.41 3299.82 1740.18 3290.28 5589.2 3550.13 4718.09 3697.26 Spirolucidine 2991.55 3025.57 3046.11 1817.52 3034.65 2407.33 2457.19 3039.09 2664.99 2975.81 2794.49 2500.47 2536.98 3195.66 2127.58 2190.24 3423.02 2999.24 2838.76 2671.15 2716.25 2392.55 2645.34 1819.38 3108.39 2501.31 2588.2 2666.29 2903.57 UDP-L-rhamnose 6752.74 13109.48 6802.29 7150.65 7008.65 7300.36 6875.84 6876.1 8094.36 6446.52 8062.7 5968.84 6623.51 6537.7 6631.72 2357.82 6949.29 6846.98 6377.86 6495.31 5665.15 6973.22 6835.2 6715.92 7272.31 7170.87 6855.05 7204.2 6508.6 Medicagenic acid 3-O-[b-D-glucosyl-(1->6)-b-D-glucosyl-(1->3)-b-D-glucoside] 664.35 3146.28 773.87 2748.13 1588.36 1680.23 4915.21 752.6 1721.11 1889.12 2113.25 3592.55 2192.77 2608.58 5661.56 1116.2 1025.36 1698.62 1751.68 1651.35 1719.25 Artemisyl propionate 4336.98 1059.17 8700.68 2107.11 3919.36 7573.55 2025.77 1293.56 3880.4 1174.67 1921.7 2205.57 1364.24 2338.7 2074.62 2542.7 5903.62 5581.56 3642.45 2431.15 2489.15 2003.07 2347.77 1255.54 1697.01 3843.53 2430.64 2297.74 3759.82 (3S)-versiconol acetate 3575.22 6381.91 4695.05 4311.75 3893.13 6172.79 6251.49 5859.47 2238.47 4622.5 3387.33 5370.16 5472.07 3733.57 3899.07 6250.87 3555.9 2186.6 3389.04 5565.07 2765.07 3662.67 5606.67 3878.98 3776.15 5807.61 5418.58 5598.2 3105.19 Madlongiside C 2806.6 4907.53 2627.41 2815.08 2628.64 2565.87 2564.09 2964.87 2907.29 2667.08 1419.62 2824.61 2436.91 2396.76 2730.31 1983.9 2615.9 2617.99 2998.61 2815.19 2334.12 2700.48 2601.09 2595.8 2770.39 2739.41 2616.36 2808.28 2081.46 Dulcitol 3778.85 2589.23 3054.98 4532.31 2202.06 3172.01 3217.84 1729.69 2097.47 2786.33 6575.26 2238.52 2771.05 1856.96 3814.91 1496.79 3771.24 3856.35 2006.64 1995.36 5415.01 2738.0 2916.37 3284.63 4132.22 3297.34 2298.46 2990.39 2734.44 PE(P-16:0/20:4(5Z,8Z,11Z,14Z)) 1815.94 10073.13 3139.35 8904.43 14219.78 13923.92 18284.25 22648.15 53576.69 23001.52 20522.47 20837.63 26871.52 26815.71 49005.6 17042.76 37711.34 21496.37 26333.87 34720.22 21116.77 14590.86 16185.14 20138.91 21483.26 15061.24 21335.96 14459.16 1-(1Z-hexadecenyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine 7351.12 82177.8 20403.94 11575.7 52281.73 111960.24 120289.15 165039.96 79456.28 41100.08 142726.18 194134.36 118220.16 223070.63 94546.7 1095.57 43593.79 46929.18 56442.66 124409.89 162615.27 119383.76 170770.48 67696.99 263484.46 168824.2 178489.33 58825.72 124737.3 Plastoquinone A 14228.44 7955.01 5706.68 8333.61 59931.58 24433.08 43710.39 24590.38 66119.36 68389.6 71439.79 77152.45 9749.26 19355.79 32940.11 58132.04 35379.1 88461.39 89891.72 54819.18 35775.87 47466.6 Persenone B 18751.91 966.2 1290.45 28083.37 19644.8 18009.27 19010.35 20601.29 23270.75 23311.85 12050.86 1151.09 20382.65 21451.51 19107.04 1092.68 1546.21 17350.94 20082.9 19280.63 12745.8 15684.94 18309.46 12743.13 4499.72 17193.65 17304.95 15732.74 Gingerglycolipid B 5748.26 8526.48 7058.54 5866.92 6127.32 6039.44 6370.85 5487.43 6484.0 4274.56 5483.65 6130.74 6126.59 5535.51 6993.88 4299.07 6483.2 6697.12 5440.44 4774.36 4382.84 6050.38 8078.89 6607.1 5252.39 6367.03 6806.37 5558.85 5034.3 5-Carboxyvanillic acid 18181.92 7145.17 17276.01 17525.74 18884.32 16551.4 17989.32 16253.44 16325.49 16167.61 17400.55 19191.26 10197.03 18758.06 20566.75 20273.78 18230.14 18654.53 3566.65 18367.25 22371.25 16889.56 6242.78 18199.94 20405.08 14430.38 10985.25 24891.74 19828.21 Ixabepilone 4730.66 8289.88 5235.2 7885.24 5191.75 3672.43 4808.86 5759.77 4234.97 4290.86 6216.24 5199.06 4761.58 4693.48 3762.75 5162.98 5581.47 4552.22 5046.96 5492.61 4973.75 4499.97 6189.28 5401.66 5891.84 4763.25 4737.68 4369.18 3657.4 Amygdalin 4706.96 4838.81 3440.68 1767.15 2386.29 4088.02 4905.9 4188.68 1086.31 2456.86 3552.74 4420.6 4575.81 5063.75 1013.98 4279.72 1909.45 4583.87 5166.51 1504.52 4335.76 4366.24 3647.11 3824.08 3805.36 4069.34 4141.11 3969.46 4045.4 Lactaldehyde 332638.05 270771.5 244201.19 346510.77 306376.37 345383.67 314384.63 419694.86 383585.74 344448.02 309989.47 269159.91 269306.81 266654.13 391190.42 157200.99 263046.62 257623.2 387499.07 348385.24 263579.12 320699.61 333352.6 272531.7 242462.8 326661.39 238831.69 262127.36 318863.73 (6R)-6-(Hydroxymethyl)-alpha-D-mannopyranose 1-phosphoric acid 5946.13 5166.46 4885.56 4615.08 4188.1 4318.53 4347.95 4897.71 4186.26 4787.57 5087.19 4035.05 3981.87 3677.62 3925.79 7205.44 4449.47 4082.55 4062.7 3766.85 3952.53 3990.42 5542.17 4463.97 4009.73 6097.16 3876.95 3703.45 3650.12 (2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid 43479.22 38140.61 42600.52 49577.69 46361.75 50435.84 44932.69 45604.16 44777.84 46616.99 43093.45 46736.12 47919.68 45551.62 44004.54 40461.8 48772.63 43482.72 43325.0 45108.08 46285.77 45264.61 44292.95 44089.59 41519.69 11629.17 42813.43 46001.73 41897.46 Trehalose-6,6'-dibehenate 3609.87 3690.93 3990.61 5165.42 3285.61 1598.06 3774.57 4007.56 1630.57 3296.64 2556.77 1248.8 4070.24 4249.3 2055.33 2321.1 3804.01 2385.79 3146.87 3613.41 3327.13 3542.9 4164.11 2627.28 3512.37 3445.43 3374.03 3263.4 3571.3 Ciceritol 41709.55 15544.91 30355.36 27547.89 37917.99 18135.22 37937.77 39031.64 41161.76 28981.38 25589.63 23330.7 54723.57 38597.85 37882.86 23748.43 15692.85 10799.65 71287.13 35101.23 36414.45 20713.14 38319.48 30195.59 40580.22 35694.1 29792.46 36263.81 36172.37 N-Acetyl-D-galactosamine 6-sulfate 6223.28 6094.9 5973.28 5721.57 6674.61 6038.57 5409.95 5858.14 8181.33 6347.4 5902.0 10797.15 6439.38 6593.86 8401.9 4076.34 6806.47 7386.97 5916.3 10516.7 7030.96 6930.66 6817.93 6587.97 6908.55 6137.17 8513.05 7995.84 7362.76 Aminopentol 20527.57 16728.48 19606.28 16277.85 17739.83 16609.83 19405.94 17491.49 16768.76 15534.78 16697.07 19097.05 19125.3 19609.58 18409.89 15001.96 18644.81 18945.55 18943.66 17050.01 16421.89 15422.71 17110.61 15882.47 15936.93 19092.73 18518.33 17600.46 18719.86 Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo- 89634.63 120646.1 86229.12 89525.14 82989.37 86315.18 88021.91 81645.42 85892.88 83840.35 93122.87 83514.0 81829.86 84775.03 100734.0 81909.24 90327.22 83185.36 99544.06 84097.84 82406.64 79992.23 79389.39 82994.1 79603.11 77220.17 108318.91 79846.1 81789.49 Physcion 8-gentiobioside 6376.19 3898.2 3436.65 4692.82 3897.99 4253.19 6646.14 6672.29 4543.94 2952.34 2532.51 1159.57 5727.59 7004.5 5585.05 5028.12 4120.69 5523.59 6897.57 5346.74 3914.8 3187.0 7589.08 4583.18 9208.92 8040.25 6278.59 5301.3 5886.8 13-Hydroxydocosanoic acid 12333.81 9483.69 7356.24 11201.99 6284.92 5403.49 10136.06 9960.64 8996.43 10696.02 5869.81 9590.02 7676.9 10159.83 5039.03 10289.07 5726.26 10240.33 7858.66 5316.09 11551.96 5873.71 9241.51 8659.23 12101.95 13326.19 8087.42 9035.58 8199.12 Valethamate 8135.05 13186.95 9114.93 8115.29 9879.75 8837.04 7664.33 8375.17 7749.37 7647.38 8832.4 7205.17 7620.45 6850.4 8022.04 8535.14 7450.45 7594.37 7974.43 7826.24 7616.83 7423.17 7051.7 7204.56 7436.8 7017.81 7178.24 6497.31 7474.98 6-chloropyridazine-3-sulfonyl Fluoride 120627.68 100714.88 76165.93 92992.24 77824.35 111519.96 93430.43 78186.24 132140.03 132275.98 125036.32 97395.06 140789.77 77631.96 112379.69 111083.83 96390.78 102812.97 86238.12 115511.98 93754.11 94753.09 114187.8 112785.42 94016.24 105819.99 111944.58 112297.56 116231.59 Calenduloside E 7585.94 19079.15 8021.39 8011.88 7167.26 8190.33 7985.3 7916.93 8141.16 7724.25 9930.53 7496.63 7369.7 5643.77 7821.29 8983.9 7482.8 7538.15 7782.48 7737.5 7600.53 7471.43 7552.81 7442.81 5412.82 7549.51 7910.06 7441.6 7508.43 Danofloxacin mesylate 13033.16 6582.68 9815.04 13463.14 7892.5 4141.5 4534.86 6457.01 2291.14 5268.63 1888.67 5163.51 6918.25 7954.74 7522.22 11065.21 5752.6 8522.12 14656.52 8711.47 9692.33 5387.27 3758.43 8751.63 8224.65 9775.74 11149.42 Novaluron 8365.65 7252.08 12998.45 8883.59 13438.84 5037.57 10767.03 15606.99 3159.71 5418.55 4222.0 10796.89 6077.55 16390.92 4774.3 5313.91 7509.55 7201.81 17222.22 8369.75 8651.55 12130.13 7020.77 7494.46 12499.2 8554.47 8504.37 9207.96 9565.59 5,8,11,14-Eicosatetraenamide, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (5Z,8Z,11Z,14Z)- 792.91 2164.58 828.43 760.22 1155.27 1410.28 1078.95 1623.57 987.4 1648.79 1573.0 2402.78 2553.57 2544.83 2320.49 1729.88 2322.23 1855.21 1979.57 854.02 1992.03 1710.25 2757.95 2224.5 1728.58 2556.17 1657.95 2074.61 2-Phenylethyl beta-D-glucopyranoside 8552.13 33306.67 24936.84 9382.38 8415.73 5678.73 8449.99 8472.19 8573.87 8126.99 5497.71 8312.29 3927.41 8820.32 9320.54 5820.46 8319.59 6727.29 5269.35 5954.97 7510.81 3496.56 20851.75 10565.04 16344.03 8303.38 7941.74 8656.7 7849.37 Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one 4084.95 3648.69 5402.1 4126.57 3611.95 4782.54 3960.78 1978.6 3553.37 3735.7 4063.32 1886.64 1464.93 4658.96 3678.52 4735.94 7734.05 7754.53 5872.65 4220.63 6426.95 4593.69 7234.66 3087.56 5785.33 6944.82 5371.03 6470.28 6812.08 9-Octadecenal 2440.31 3672.08 3859.4 3838.27 2800.39 4144.76 3128.06 3532.59 2819.35 3239.07 3386.72 2111.25 2530.56 2648.62 1758.3 2968.54 3562.92 2306.16 2375.16 5935.37 2751.46 2966.52 3595.92 2871.33 3107.6 3357.82 3469.96 3462.56 6188.34 Pravastatin sodium 1698.95 1968.86 1083.48 1099.93 2150.5 4264.58 2151.09 1611.14 2352.34 1127.08 1736.37 2401.84 1326.69 1657.12 1318.96 2126.5 2528.61 2950.44 2440.3 3203.72 2490.07 2323.32 1706.68 2826.89 1928.68 3022.13 3118.44 3613.13 2968.8 Decyl(Dimethyl)phosphine Oxide 6709.85 12042.86 7489.42 7374.55 5834.7 6917.91 7530.5 5047.17 6624.17 7068.82 5559.06 3681.48 8324.72 5879.44 4671.95 5016.97 7205.81 5980.13 7127.76 6715.79 6565.21 9310.15 5928.71 6822.51 7142.14 7828.24 7795.81 7735.07 9112.64 1-Methylphenanthrene 13380.26 9170.45 22145.89 20927.16 14654.28 15309.76 16459.1 12655.42 13291.82 13316.84 11650.91 13056.49 14904.98 12853.27 13020.4 10057.15 15227.24 14975.94 15126.73 12766.43 21919.5 13130.42 15648.01 17439.34 13877.7 14723.0 22239.85 14823.45 14300.86 N-cyclohexylbenzenecarbothioamide 5441.36 3103.13 4861.92 5907.46 4912.61 5386.99 5359.61 4744.96 4942.62 6054.81 5582.06 4474.91 5184.05 4743.86 5335.71 4978.07 5585.74 5852.92 4748.72 6183.82 8563.93 6767.01 5804.55 4753.85 4810.22 6712.1 6496.52 6911.79 6616.92 Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)- 2560.69 4973.45 2278.4 2141.54 2616.58 2872.36 2017.7 2062.97 1964.97 2656.66 2049.56 2600.43 2825.82 2584.93 2450.89 2878.53 2019.16 2110.62 2575.51 2172.29 2387.18 2728.55 2324.41 1967.4 2397.99 2384.29 2115.88 2899.25 2116.86 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one 5592.93 6946.5 6876.59 4981.84 5673.41 5308.4 5920.31 8077.06 6577.24 6484.66 5234.33 3804.38 7842.24 7717.48 4882.81 8344.31 6796.78 3980.75 6201.53 5725.44 7293.12 5430.48 3546.78 6069.52 5984.01 6874.85 5495.6 6158.12 7247.06 4-Dodecylphenol 1636.86 922.08 1198.5 985.64 773.91 3038.17 1298.53 2828.94 2035.57 1130.0 536.02 2153.41 1628.33 614.24 2108.55 2439.15 1851.6 1421.59 560.66 2429.41 980.79 1034.42 3148.74 2197.26 720.77 583.43 586.36 791.17 Gadusol 2833.75 3038.57 2725.5 4313.56 3472.06 2228.81 1605.73 1822.1 2579.24 1222.1 2309.19 887.25 2052.61 2350.59 1498.36 3430.66 1626.2 2744.0 3524.77 1513.57 690.91 1351.11 3482.37 3146.14 2962.6 965.36 1498.56 2917.2 1046.31 Octapropylene glycol 946.68 6143.91 3654.53 880.18 1744.4 1943.29 2893.56 3520.75 2366.45 2058.9 2749.2 4035.44 4222.0 4298.18 3361.08 3240.56 3953.01 3800.31 3086.8 2610.94 2929.23 3576.98 3539.02 1477.53 3280.05 2255.39 3303.2 4255.86 FFA(18:3) 21914.3 26337.39 12857.75 19189.15 10091.19 66347.94 16043.43 26737.81 12898.25 25068.39 14867.21 7366.94 17094.47 16821.64 9717.65 90568.03 76518.37 53403.59 36701.02 22157.12 110042.5 28484.88 84056.24 107558.33 50940.29 10303.8 10000.42 9404.71 9967.12 Finaconitine 9127.61 9981.06 7670.11 9216.26 7627.3 8836.05 9391.04 7755.32 6727.68 7400.58 7446.99 8794.62 8517.51 8524.58 7429.82 6973.92 6339.72 10053.43 7728.9 8520.87 6722.36 8034.18 7935.08 5435.28 5865.13 6783.14 7436.8 8228.85 7621.24 6-Nitro-2-phenyl-1H-benzo[D]imidazole 1356.36 1653.71 3326.74 3795.27 3582.37 1182.77 2808.66 3012.68 3747.63 4276.1 1893.45 694.84 3885.75 2970.28 1966.08 2463.35 2779.73 1956.7 899.53 1606.9 1302.89 1910.41 4345.22 2031.13 1225.28 3094.58 3091.09 2927.45 3004.52 Lythidathion 844.75 1159.52 877.23 779.44 1051.67 770.48 705.52 1029.59 864.9 614.91 1044.78 1096.97 1128.88 831.03 891.73 534.68 1003.81 1203.23 727.15 867.45 779.24 798.88 1276.23 1041.01 1115.48 1322.16 1034.03 1191.94 1063.31 Succinylcholine 6720.13 5489.74 6629.62 6886.85 6626.68 6198.79 6676.03 6382.55 6974.78 6570.54 5680.07 6472.11 6422.36 6474.93 6434.52 5199.36 6712.92 6519.81 6768.81 6440.41 6300.32 6732.39 6745.31 6657.72 5959.91 6894.57 6511.22 6428.24 6440.68 Heptapropylene glycol 5485.25 9296.24 6375.25 5730.47 5058.47 5789.84 5514.99 5595.04 5272.59 5481.71 5578.31 5306.37 5193.82 5543.84 5038.27 5693.32 6093.68 7256.84 5630.05 5435.57 5663.19 5963.84 7039.0 6014.65 6017.64 5557.64 5668.89 5689.01 5712.22 2-(4,5,6,7-Tetraiodo-1,3-dioxo-2-isoindolyl)acetic acid 11343.1 1176.24 2473.27 3543.23 12696.61 6774.86 6794.75 7071.15 6742.13 7779.08 8248.56 8442.78 8758.44 6562.95 8221.92 8728.44 9317.93 8512.06 10411.07 9242.57 8646.6 13346.95 Methyl 5-(Chlorosulfonyl)-2-Furoate 3513.88 5806.57 2972.71 3086.17 3122.15 3853.79 3391.97 3228.33 2808.54 3200.33 5657.95 3406.26 3021.9 2624.27 2612.56 3900.11 3098.12 2255.51 3363.12 3103.93 3394.06 3405.67 3248.21 2990.72 3333.03 3034.49 3237.2 2882.45 3195.72 Crocetin gentiobiosylglucosyl ester 46057.12 21869.07 2041.61 8977.86 68590.75 6148.82 19188.65 5097.41 55282.64 24327.21 12396.03 12749.22 5521.85 54409.61 28766.29 49637.27 106379.07 20239.29 30681.2 4750.76 18457.03 53250.03 104232.04 22370.32 43894.79 43556.33 47080.41 54443.99 Piroctone olamine 2262.16 1536.45 2071.47 1038.25 1270.2 777.18 1013.44 907.28 795.35 1059.16 723.38 1257.22 1021.67 821.46 914.35 1697.5 754.1 1460.59 1194.61 1799.99 1110.8 1135.18 890.55 2405.12 2449.52 2222.46 2238.97 Mabioside A 1141.35 4339.53 1068.61 1087.19 1012.15 1702.6 1288.62 1629.35 1589.81 2885.96 4465.08 2927.08 3274.29 2140.11 2137.33 1697.38 3334.88 4075.67 2062.68 3471.61 3868.5 2500.46 2605.26 2787.75 4299.35 4600.48 4500.64 1691.05 3269.48 Deglucoparillin 1549.04 509.54 811.9 3296.32 1583.37 970.54 1766.21 1397.13 713.36 2484.72 3193.84 722.23 1470.7 1865.13 1962.45 2355.67 2479.35 2203.29 2373.28 2052.12 1618.28 Tungstic acid 12424.25 6102.64 11144.31 15620.77 10984.8 11536.71 10769.67 14086.34 10436.08 10916.45 4173.42 8976.99 8893.91 12299.27 12869.65 5635.12 8338.42 8423.88 7826.38 12284.06 11324.31 9638.71 6719.53 6033.44 10255.87 5884.96 3890.8 8098.83 6110.25 Sulcotrione 29240.19 29946.95 38341.47 31238.27 40563.05 23464.46 32741.18 43885.79 22114.08 26265.66 20276.46 34870.61 25444.89 44659.92 21253.27 23037.69 29666.2 30824.77 39631.4 29110.63 32342.57 35741.45 27776.54 28602.23 35193.78 32260.01 30446.2 32045.61 31481.86 4-Fluoro-3-(methylsulfonyl)benzoic acid 17452.95 15063.55 15678.3 16727.93 12829.56 5772.0 15846.72 13954.53 9943.78 4119.33 16611.57 12839.02 12055.9 3261.31 12670.51 15621.9 7359.22 15573.54 10769.21 9188.76 9609.99 14026.86 13689.95 11359.21 10980.81 11539.41 10165.09 13921.26 13734.06 Voamatin C 3570.84 1841.88 4094.36 3720.46 4293.25 3646.23 1527.76 3945.77 3714.06 5903.95 963.34 3741.87 3283.9 4323.35 2932.02 1820.02 2804.34 3373.45 4441.32 2789.73 4069.03 1851.78 3189.6 3673.35 2822.76 3477.53 3972.93 2452.75 2076.33 N-[4-(2-chloroacetyl)phenyl]methanesulfonamide 2632.45 2864.88 2855.64 2934.22 2937.93 2646.17 3190.47 3345.99 2755.58 2922.97 2487.95 2694.35 1561.23 2648.93 2697.89 1999.37 2373.35 2967.17 2850.8 2107.47 2541.95 2546.66 2003.8 2261.95 2487.58 2226.13 2775.18 2059.71 2506.18 Bryotoxin A 2828.1 1488.64 3065.85 2170.95 1640.23 1252.51 1649.45 1571.93 1102.26 559.55 1050.78 538.73 2762.15 1535.41 1040.76 1954.06 2293.37 3069.16 2454.5 1162.63 3720.53 1358.62 903.57 747.64 1074.64 2302.32 1907.85 2769.45 2588.65 1-(3,6-Dibromo-carbazol-9-yl)-3-phenylamino-propan-2-ol 36445.51 32967.58 35489.52 36002.83 34165.08 31154.4 35423.23 34676.93 33026.78 35251.4 31943.3 37017.27 32041.78 35519.27 34733.85 27417.5 36227.59 34263.96 34716.54 28216.52 32605.34 29651.61 33477.05 30605.77 31838.3 29647.65 31942.62 27920.32 29326.2 Camelliol A 6805.54 42072.51 9125.28 9151.3 5286.08 10313.71 9892.09 9667.82 9984.84 9629.84 12253.57 10225.99 10324.14 10087.45 9074.3 10344.46 9838.38 9410.76 9434.95 10477.91 10216.21 10082.27 10075.44 10466.04 9942.81 10562.76 10005.19 10516.72 9898.29 2,3-Dihydro-5-methyl-3-thiophenethiol 1357.74 1904.99 689.11 1133.1 1204.89 1284.68 1263.61 1283.21 824.39 1207.52 886.42 851.02 1241.86 1084.05 1182.46 1543.82 1316.38 1453.91 1248.69 958.6 1480.54 1230.15 1177.97 1256.68 1386.7 2086.25 2169.46 2030.14 2124.14 6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione 6799.71 11954.16 5465.31 6481.0 4760.94 7102.11 5850.01 5685.68 4817.81 5977.91 6452.18 4943.23 6284.37 6082.54 5622.75 7921.42 7122.7 6870.36 6409.66 5848.25 7577.48 6627.51 6257.59 7522.6 6657.02 5770.03 6076.09 5737.76 5858.18 Novobiocin(1-) 2432.24 630.31 3419.43 2003.04 2082.29 2040.2 2839.22 3456.46 1326.73 2719.89 1558.17 568.9 6690.17 1425.38 1312.5 1767.05 2575.09 3898.42 3368.2 826.26 4657.88 1981.55 564.42 913.21 2617.75 2358.39 3418.69 3334.08 N-Ethyl-p-menthane-3-carboxamide 2276.08 3275.67 2242.84 2275.28 1875.7 2371.69 2347.92 2096.48 1965.33 2106.04 1655.09 1621.54 1916.61 1857.53 1713.83 1662.92 2177.72 2176.81 1924.31 2031.54 2065.53 1285.76 2197.09 1319.93 1761.01 1909.87 1854.63 1953.17 1341.48 N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine 2034.7 3315.66 1873.69 2249.44 2242.08 1863.68 2174.46 1392.14 992.03 2014.77 2384.16 1629.94 1600.21 1592.19 1683.66 1256.62 1994.53 3919.47 4222.98 2690.6 3513.1 4350.19 1527.89 2672.56 2129.97 3318.72 2162.35 2327.58 1926.9 2-Mercaptoimidazole 2673.31 3137.82 2992.82 2824.34 2704.05 2002.22 2272.7 2978.03 2870.92 2988.22 3404.67 2880.62 2337.35 2337.16 2642.82 3284.59 2880.29 2257.11 3044.44 2382.52 2092.53 2709.83 2533.01 2450.86 2566.33 2651.52 1653.1 2620.26 2138.43 1-(4-Chloro-1,2,5-thiadiazol-3-yl)piperidine 5077.77 4293.53 4800.91 5239.82 6360.46 4793.44 4927.74 4876.0 3322.46 4918.97 4886.37 4608.64 4168.65 4186.69 3753.74 2692.13 3906.15 4673.96 2661.6 3382.72 4110.55 4570.06 4873.66 4118.17 3648.19 4480.42 4224.9 4238.61 4221.43 Ancitabine hydrochloride 1496.02 597.22 3051.23 3315.58 3062.08 646.65 1385.33 1945.68 3166.1 3734.12 793.96 727.04 3300.92 1770.98 1516.23 2975.64 902.7 1813.56 1408.41 1292.37 1579.93 1375.55 3618.2 1271.52 1024.34 2685.19 2143.86 1897.52 2734.2 PGD2-dihydroxypropanylamine 2883.57 4245.49 3002.99 1941.04 3189.23 3327.35 1155.46 2791.95 1902.17 2114.52 1259.62 1840.8 2515.61 2856.86 1449.25 1529.3 2159.4 1699.86 2812.95 2302.32 1412.36 1811.35 2881.21 2605.9 1550.65 1597.96 2721.06 2021.07 3117.78 Spectinomycin 3230.37 1886.63 3911.16 2429.23 2827.61 2444.34 3730.88 2784.42 1515.22 3415.42 2934.15 1961.47 2756.06 4743.5 2683.46 3427.28 2019.04 3243.47 4095.36 2772.23 998.79 2893.6 4963.45 3199.69 2278.28 2696.1 2236.8 1647.9 2332.77 2-((1H-benzo[d]imidazol-2-yl)thio)-N,N-dimethylethanamine 2275.28 2058.33 5351.85 3250.64 3767.9 3218.83 7058.96 3592.08 2044.97 7590.82 3522.71 3118.64 9445.62 3921.41 6220.6 2479.28 5931.48 5725.46 5483.69 5540.14 7521.64 2794.39 3204.87 3297.73 3370.8 5675.33 5183.44 5492.71 6995.6 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane 5135.45 7699.69 4406.17 5114.93 4847.84 5153.63 4811.2 4889.04 4243.09 4554.7 5325.71 4380.8 3980.69 4405.92 4532.06 5496.24 4890.54 4240.43 6486.75 4172.25 4114.45 4307.42 4268.93 4470.21 5207.33 4517.5 3477.74 4734.13 4161.46 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde 22106.8 11386.79 8155.73 10954.48 7700.29 17674.66 9351.16 6417.58 7858.5 14532.88 13094.45 10013.31 8239.5 22267.04 22542.31 15475.14 7286.97 15945.89 8057.39 23607.44 15876.09 7708.9 9095.0 8575.52 10069.28 7476.5 20265.17 7660.7 15636.76 Sylvatine 6153.07 656.54 677.91 6437.64 6615.31 5908.27 7336.62 6638.79 6086.16 6739.39 6190.24 5002.51 5829.36 6669.65 4466.13 6597.4 6124.82 6649.61 5797.13 6500.95 5802.26 Butenafine hydrochloride 5362.13 4909.57 5179.62 5668.35 4956.05 5908.93 8906.54 5708.57 7851.21 4997.2 5334.95 4419.83 4187.26 4341.08 8849.84 4825.66 4424.63 5477.97 4517.8 6987.07 6523.05 4084.87 3871.5 4334.52 4766.75 3953.7 4582.22 6175.53 8497.8 Adenosine 5'-tetraphosphate(5-) 1976.74 2065.68 1925.26 786.4 1672.31 1463.72 1731.28 2082.36 876.69 2201.13 1796.7 2084.38 2504.05 2013.48 933.45 1126.07 1480.05 1942.76 2142.58 1814.82 1810.32 1879.4 1091.9 932.71 2348.03 2111.09 1867.64 2386.29 2321.0 Vobtusine 1937.18 1930.71 1893.6 1353.26 1519.17 2273.73 3259.46 1525.85 1120.53 1252.66 1449.71 1429.04 1840.72 2155.44 1733.9 1782.43 876.8 2065.34 1476.07 2329.96 1579.99 1313.85 1192.51 1628.99 1596.17 3896.76 1760.35 1949.0 2163.4 Carmoisine 18368.18 14518.32 13988.51 14729.31 13070.07 11035.63 16209.41 16154.33 11470.76 13180.84 10709.71 13428.15 15302.72 13457.37 10487.19 13159.22 11103.26 13920.5 15857.49 14226.77 12959.77 15992.33 14349.42 14395.97 18206.33 14444.98 14600.49 15268.68 15420.26 Anemarsaponin E 3355.58 517.7 912.24 3148.42 2601.2 1937.21 2643.09 2343.68 2234.71 2078.08 2035.88 4034.78 881.96 2465.02 2994.31 3471.69 3890.86 3980.56 2179.38 3608.19 3324.74 3788.52 4,4'-Thiobisbenzenethiol 4986.16 5422.37 5687.98 5388.43 6093.77 2031.16 4667.64 6737.71 4790.12 3578.93 4403.73 4456.25 4371.21 5575.52 4427.9 5112.0 4020.05 3478.83 3769.27 5827.59 5217.97 5457.81 4515.78 6057.57 4974.88 6422.11 5826.89 5038.57 6100.26 Perphenazine 4475.89 5150.41 3181.85 1466.94 1545.75 3874.43 4933.22 4805.07 1068.61 2265.4 3712.46 4375.46 3930.19 4877.37 956.08 4795.56 1443.39 5006.79 6046.67 1491.27 4176.57 3598.55 3057.15 3478.9 3065.83 3445.32 4026.36 3856.77 3794.89 Wiskostatin 128061.53 140375.46 162001.66 152418.22 172498.94 107184.69 165108.42 172450.1 115384.18 126401.66 104127.81 165875.25 123773.58 185487.7 105126.39 103961.68 140550.87 133416.02 206481.56 153771.11 140153.88 179015.86 136242.05 147545.34 183425.64 151239.68 158230.49 161733.29 165016.78 Ethyl selenac 38967.13 39323.79 52261.46 43476.28 55970.34 23069.04 46666.1 62048.46 20741.6 27142.85 21108.34 52498.85 29827.72 67017.56 19728.53 25013.26 39280.56 37728.38 67886.08 38505.96 38854.79 51898.95 37005.83 37103.19 53417.67 38019.19 40853.0 41427.78 43249.71 2,4,8-Eicosatrienoic acid isobutylamide 84413.95 63699.92 79238.01 63968.9 69252.7 66832.42 76624.56 66307.73 66758.37 62376.64 68131.6 77059.88 77761.21 79524.17 75131.11 59117.9 74877.43 75856.4 73717.08 71316.42 64266.43 66403.84 66975.03 73644.17 63953.11 74770.1 77957.22 76397.59 77166.44 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol 58851.09 71439.04 57985.84 53616.67 56491.64 55854.29 55254.51 54744.03 54450.73 54072.91 75552.6 55193.12 54420.57 53870.99 53753.59 77217.03 54487.27 55012.7 53749.36 53913.58 54915.13 54007.81 55583.45 54862.07 50320.63 52569.95 53082.05 51946.24 51586.12 Fluvoxamine maleate 32966.88 40641.75 34660.91 35744.93 35371.51 33583.41 34641.31 35683.45 34947.04 33228.32 28893.75 33215.5 33642.8 33587.86 33725.18 26394.97 33783.37 33278.67 32493.98 32899.63 32904.85 34076.25 33096.84 32822.42 33620.77 32307.03 33416.73 33366.84 32301.89 (2-Hydroxy-2-oxo-1,2lambda5-oxaphospholan-5-yl)methyl (Z)-octadec-9-enoate 2335.96 3831.17 2091.58 2711.39 2690.5 2507.88 2968.47 2389.68 1963.46 3683.66 1828.89 3337.38 1892.8 2393.45 2591.23 3806.96 6016.25 2627.35 2994.34 1149.12 2422.41 2732.47 2636.46 2302.16 2527.55 2726.98 3075.7 3044.65 2715.14 EUK 134 5425.24 3641.48 6385.67 4099.15 5721.5 7367.8 4329.49 3522.23 3578.55 3710.2 5615.32 3343.6 3927.71 4156.85 7965.23 2119.25 3823.25 3309.49 3588.5 5600.21 4700.97 4243.29 3864.72 3457.15 2999.87 3209.27 3756.45 3235.16 3196.51 Janthitrem E 2394.64 5966.01 3378.65 3764.95 3774.49 3379.93 3919.92 2865.78 2520.88 3924.8 3036.02 2742.12 3783.3 2949.21 3710.4 2114.99 3686.11 3582.85 4135.42 3817.79 2960.77 3709.63 3901.53 3783.38 3161.68 3271.58 1369.38 3416.22 2872.42 (3xi,16xi,21xi)-12-Ursene-3,16,21-triol 2428.32 1139.45 2080.06 2004.85 1812.72 1741.58 2164.73 1887.41 1968.48 1635.67 1160.61 2227.85 2124.2 1763.58 1899.47 1290.97 1993.49 1490.54 1509.53 2221.38 2167.7 2110.91 1968.3 1635.31 2250.24 2627.57 2414.17 2984.04 2823.01 Trimethylsilyl heptadecanoate 3200.64 4414.49 4620.47 2897.46 3701.29 3497.55 3339.66 3665.45 2816.52 2657.84 2777.96 2450.26 3705.83 1783.92 2734.66 4548.44 3434.87 3155.88 2578.98 2594.07 3121.21 3218.94 2195.54 3472.49 2777.35 2521.54 2859.6 2048.7 1219.92 22-Angeloyltheasapogenol A 5300.6 10469.56 4044.59 3651.56 3975.99 4680.5 5390.48 3684.86 4718.7 4176.86 6020.8 4258.7 4178.09 4225.02 4444.45 5068.16 4139.62 3836.68 5027.15 3643.74 3783.38 4585.55 3208.92 3768.66 3632.3 3610.67 3895.11 4101.94 3212.86 [D-Lys3]-GHRP-6 1549.54 2449.07 2336.36 2297.7 1769.84 2460.31 2043.01 2146.57 1684.64 1946.67 2420.04 2224.25 2341.08 1907.86 2209.23 1069.47 1593.67 2429.24 2178.28 2399.2 1967.18 2182.58 1822.63 1928.31 1779.9 2317.82 2296.58 2932.95 2454.97 Emedastine difumarate 2732.95 4755.42 2175.15 2829.22 2752.24 2484.84 2683.17 2959.57 3178.96 3045.54 2461.51 2837.57 2233.48 2856.66 2723.59 4297.38 3164.19 2745.3 2882.53 2732.85 2755.3 3287.76 2402.59 2404.59 3031.66 2292.47 2633.6 2625.97 2527.85 Lead nitrate 12826.06 3849.35 12258.89 5733.78 7651.04 8331.99 12737.95 3437.01 3895.89 3650.71 6235.25 12272.34 7541.76 3468.92 7868.57 13676.25 7498.99 12063.15 4195.75 10783.51 7080.62 6395.66 2932.36 6323.16 3121.31 3932.09 6608.52 11038.75 11072.44 (3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol 44787.79 118330.99 50260.44 46611.39 46595.2 51314.5 51596.31 45798.08 50736.22 52158.54 52245.22 51334.14 53642.3 51185.9 43983.17 36816.51 48443.97 49939.59 51017.63 52018.86 50600.09 52052.83 49559.73 51117.43 46992.65 51348.21 52678.57 54564.25 50735.84 Carnitine C5:1 3293.55 3224.76 3783.26 4385.19 6935.97 5768.75 6181.07 617.87 5142.72 2242.87 3059.08 4238.22 3490.88 1175.79 3782.75 947.66 6210.03 4454.97 3740.91 6376.45 3750.19 1509.67 1955.29 3285.78 2819.48 3963.46 4092.29 4128.99 3977.4 Carnitine C7:DC 697.84 2128.44 2114.71 4944.96 2930.41 1187.19 955.15 1497.75 2510.83 504.76 907.43 1646.73 1531.17 2303.85 3290.37 2511.22 2812.82 2003.51 1123.56 2052.14 2089.35 2478.82 2278.73 2103.07 [(2R)-3-hexadecoxy-2-hydroperoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 14869.74 10236.61 15460.76 11703.34 14336.57 8479.68 5530.68 10732.2 12850.24 2972.25 4310.03 6572.7 3959.64 8956.09 3219.47 5193.01 5147.17 18904.89 6938.91 4434.22 8056.13 4254.96 6199.19 11560.34 25212.99 7881.27 8771.2 8286.79 9656.76 Carnitine ph-C1 1073.96 1063.01 1978.14 1905.91 4317.89 1307.68 2039.99 1032.88 2737.91 3772.38 2067.36 1056.49 2242.82 1744.82 1565.65 1876.13 1724.1 2626.18 1755.13 896.03 939.63 1478.07 2241.63 1395.51 1819.21 1792.19 2380.77 1934.45 2936.17 Carnitine C5:DC 2583.7 3883.11 1806.05 1891.84 3920.76 4310.0 2779.98 2573.64 5175.06 2466.12 2039.05 5250.1 2743.43 2874.2 2231.29 2316.12 3676.3 3071.48 2314.58 4058.94 2711.95 2813.14 2495.86 2685.38 2936.0 2990.64 2973.56 2810.32 2977.58 Carnitine C19:0 11379.83 9094.11 9996.3 8603.72 8901.13 8624.44 9630.23 9780.01 9861.76 10668.62 9619.74 10352.93 11237.28 9786.21 10141.85 8162.38 11048.54 11289.69 10447.04 9865.7 9845.16 9546.83 9059.48 7177.75 10793.19 10465.0 10609.71 10426.91 10151.56 Asparagoside C 6429.77 11434.19 6932.24 7157.91 6084.37 6879.37 7981.58 6988.56 5332.38 6442.77 8465.07 6296.17 6232.22 7472.33 6984.68 5510.14 5830.97 8747.5 6374.21 6536.22 6814.06 6863.4 7076.97 7338.81 6897.43 8218.45 7311.13 7639.47 8129.21 Goshonoside F7 10205.45 16881.54 8374.89 11114.3 10341.74 11552.25 10929.38 8936.79 11395.79 11838.41 10286.44 11065.85 12297.27 10670.24 11931.21 6940.52 12621.03 10519.5 11347.7 10946.34 10001.53 10778.79 11887.85 11682.27 11908.42 9093.68 10985.13 11199.16 10859.7 Arg-Ile-Thr 29128.86 50674.42 27763.25 29572.3 27415.71 29652.52 29165.91 29269.67 28404.01 28160.42 27300.11 25740.68 28283.27 26987.47 26915.85 28754.84 28898.1 28718.12 28025.32 28940.35 27441.74 26610.74 28641.85 28902.34 28501.45 28014.14 28026.94 28998.76 27938.27 Val-Arg-Thr 8144.86 13288.73 6990.79 8559.18 6295.91 9634.43 7620.37 8362.14 6063.09 5801.28 6872.39 6535.41 8141.41 7958.92 7560.81 10173.91 9388.93 8771.82 8056.86 8263.13 9174.46 8557.97 8585.88 9739.05 9067.27 6074.91 8375.21 5402.24 8553.79 Thr-Arg-Gly 10730.8 22104.76 10269.23 10850.8 9825.76 14062.56 10499.1 11978.81 9688.38 10681.87 9387.16 10138.91 11544.13 11503.47 11378.2 14161.5 15820.63 12837.15 12017.14 11321.21 15171.2 12820.29 13470.3 15363.64 14859.34 11338.39 11304.07 10849.93 11019.54 Ser-Arg-Ser 5873.72 11215.21 7175.21 4301.02 4891.92 8403.08 6939.42 6726.81 9519.05 7180.28 6078.08 5448.92 6926.61 6276.78 8417.44 3746.1 7408.28 7382.55 7120.18 7324.85 8531.82 5753.42 5866.33 8805.21 5924.59 10244.75 10094.04 9763.66 9710.14 R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)-5,5-dimethyloxazolidin-2-one 7254.86 7858.16 5955.58 6949.31 7423.51 6574.04 5441.8 6725.7 6456.24 5833.52 4928.76 5362.7 6380.62 5925.15 6212.16 4566.38 6292.28 5781.81 4635.68 5885.21 4787.41 5314.94 4785.3 5418.29 4911.96 5488.48 6271.03 5437.88 4792.92 N-[2-[[[[(2S,3R)-2-(Hexadecanoylamino)-3-hydroxy-4-octadecenyl]oxy]hydroxyphosphinyl]oxy]ethyl]trimethylaminium 514.63 10577.72 41200.52 47421.25 30048.75 162192.49 160969.75 47710.56 219090.06 185678.35 211347.4 282570.79 245953.41 309365.47 162338.65 41530.96 128769.79 341478.18 104520.03 27466.31 188212.23 447346.13 313196.88 369538.74 194376.91 174599.9 156598.93 155360.47 His-Arg-Leu-Leu-Leu 3178.02 6944.83 3001.05 3308.73 3441.94 3239.4 3614.18 3204.27 3396.06 3980.82 4083.76 3666.53 3338.63 3738.04 3385.4 3827.66 3209.93 3171.77 3097.48 3073.13 3303.81 3019.06 3004.51 3015.69 2952.63 3192.45 3257.09 3360.82 3080.46 Thr-Thr-Arg 9276.12 18218.57 9308.75 9356.35 9350.05 11362.59 9807.67 10444.03 9377.53 9194.56 8458.65 9503.93 10225.6 9810.06 9520.89 10432.34 12696.0 10143.4 9910.54 10034.33 11563.35 10153.82 11039.59 11148.52 11526.71 9800.73 9818.52 9778.49 9835.77 His-Arg-Asn 28206.48 17645.57 31270.31 30509.12 26011.09 32842.87 27347.54 24746.36 24585.19 26318.07 12004.92 19902.43 19903.56 21245.94 18662.61 12833.66 25522.85 21405.85 21737.08 22909.62 18544.6 26007.93 19741.41 21805.01 18839.39 19794.92 20412.4 21872.36 18950.82 (R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate 2207.34 1888.27 820.29 2562.01 846.05 2516.48 2717.64 1728.93 2277.93 998.86 1098.14 2585.01 2207.71 1684.25 1737.79 3084.44 2163.56 1728.78 736.02 2696.93 2629.03 1163.63 2656.48 2555.04 2407.75 2137.88 1775.8 1711.39 Phe-Pro-Lys 8424.08 17665.39 7824.46 8735.91 7919.05 11487.4 8918.83 10390.92 8116.66 8016.43 7148.45 8362.78 9260.85 9856.9 8885.29 13541.02 14113.0 8956.45 9673.76 8550.37 14604.89 10125.24 10961.76 11586.8 12181.53 9002.09 8012.58 8654.48 8360.71 Diisooctyl phthalate 5066.86 1052.78 4605.37 5405.61 4473.58 4437.36 6022.93 3516.46 3851.67 3393.52 690.69 2461.83 2106.06 2781.25 794.06 3008.51 2729.23 2249.07 4750.09 1902.08 2882.2 1896.5 2541.35 2057.55 2155.85 1953.99 958.43 1020.22 2661.76 Val-His-Phe 4631.62 7057.17 4450.08 4823.67 4665.0 4218.06 5071.0 4799.64 4096.2 3801.16 4781.17 4674.12 3483.98 4691.59 4522.3 3833.61 4932.9 3918.0 4223.31 5137.54 3715.05 4331.57 4339.1 4468.31 5378.23 6034.72 4400.75 4183.58 4137.74 Ile-Trp-Tyr 1795.17 3243.93 1988.26 2254.53 2728.64 2638.87 2184.77 2783.38 1815.96 1296.76 1331.78 1871.57 1819.48 2419.57 2251.51 1301.28 2162.99 2170.54 1208.4 1905.49 2252.22 2546.5 1726.78 2805.57 2495.94 2610.17 2255.76 2301.47 1744.03 Tyr-Gln-Gln 173969.65 198246.47 152846.02 195707.04 169076.76 204508.34 223673.13 167057.47 122233.39 134944.04 162869.17 201102.46 177154.12 188814.15 159452.41 134681.67 125165.93 183829.31 153252.65 198305.51 146684.35 149027.91 158144.97 128168.57 109353.26 164755.38 192462.62 173444.28 163493.35 Gln-Leu-Val-Arg-Ala 2659.55 4806.36 1198.8 4097.65 2717.31 1754.0 1760.3 1359.17 1313.53 1695.0 3918.01 1958.6 1301.9 1611.0 2108.19 1976.23 1436.69 1781.88 885.88 2555.31 688.08 2175.68 1681.06 909.36 577.35 2355.24 1947.39 4154.46 PE-NMe2(16:0/16:0) 21899.85 3709.88 12807.31 16098.32 19218.25 27634.73 25203.12 19889.82 28753.5 31875.68 32785.37 29890.94 23596.52 20618.43 18043.27 31590.23 26688.17 17869.47 28665.43 31970.41 33628.65 32481.47 24390.09 26957.33 31814.56 25367.04 Leu-Thr-Thr 1555.35 5390.24 2141.01 2762.31 2007.96 3180.16 1942.98 2937.83 1761.0 2147.2 1500.35 1468.38 1979.81 2239.9 2811.95 3288.28 3700.67 3307.33 2512.43 2751.99 3222.36 3043.81 2992.99 3533.71 3825.45 3089.49 2326.48 2812.98 2165.24 Ser-Gln-Thr 3760.83 3061.37 2989.36 1737.12 3812.06 2851.49 3166.84 3470.36 2954.06 2858.11 2994.3 2786.22 3378.95 1719.8 2516.57 1391.47 3321.67 3633.28 2706.65 3096.38 1923.69 2818.66 2868.35 2830.59 3356.47 3369.33 780.54 1498.26 2776.42 His-Ile-Phe 1895.06 656.07 1999.5 1840.84 1765.4 1700.6 2088.76 1533.05 2129.5 1621.9 1038.83 1335.98 2111.39 2028.11 2083.58 1019.92 2057.09 1653.68 1960.92 1865.39 1202.77 2005.75 2009.37 1992.35 1592.69 1170.15 1890.94 2051.4 1445.27 Glu-Phe-Tyr-Tyr-Arg 6409.45 5924.51 8662.94 93194.3 19805.66 5797.52 22779.27 7570.73 3557.22 10960.07 4775.37 9121.42 11585.81 7405.05 7634.26 6524.66 13635.89 30649.68 8279.03 9865.8 8277.41 15476.75 19404.96 28936.4 10467.98 14374.8 13804.75 13514.3 14802.29 Tyr-Val-Ser-Arg 5332.05 9586.59 5066.92 21249.46 6950.8 9183.41 4516.96 15444.25 15642.94 2873.49 11067.34 6124.74 10320.14 16898.27 5491.7 3630.46 9412.65 8871.98 4344.77 5749.76 15988.92 12893.36 Leu-Ser-Ile 8490.3 14308.17 8141.3 8739.01 7845.92 8321.79 8335.0 8093.03 7863.07 8001.87 8108.24 7842.17 9554.85 8037.98 8513.59 10253.64 8375.28 8645.54 8066.16 8108.63 7649.12 9216.68 8381.79 9040.19 7886.23 8120.37 7982.71 7858.82 8010.97 Cys-Arg-Met 6419.66 7550.37 13767.6 9869.46 12091.76 12746.56 33115.37 7037.95 13863.58 8053.96 7992.76 6614.05 9525.72 7099.85 7927.03 7506.01 8897.0 11126.27 11258.69 8735.28 14139.55 7461.64 8287.04 9995.95 8544.22 14498.16 14389.95 14078.83 14174.44 Ile-Arg-Phe 6041.15 6360.43 7204.3 5606.4 6882.99 4643.06 2869.56 9143.37 6296.39 1015.5 1926.64 3715.82 2355.88 7312.87 2397.69 3072.86 4422.47 7890.15 3942.45 1671.58 4728.12 3206.78 2280.89 4573.93 12498.73 4734.97 5076.33 4832.6 5628.45 Leu-Ser-Val 4184.2 3210.61 2124.18 4818.06 2509.46 4197.32 3137.36 3718.37 2042.93 4225.91 3015.08 1651.27 4125.34 4375.6 3808.11 3925.15 4565.79 4276.45 4180.11 3820.18 3980.8 4394.05 3701.35 4718.11 4143.22 3803.93 3659.68 3895.95 3727.38 Gln-Phe-Asp 2103.1 1875.09 3130.64 2025.92 2316.84 2799.15 3827.71 2226.39 2801.82 2021.62 2146.13 1891.56 3305.41 1403.97 1782.77 1791.74 2318.94 3664.24 2989.51 2367.03 3345.34 2159.54 2143.73 1884.23 1820.66 1936.87 1904.01 2675.08 2358.36 Arg-Asn-Tyr 2384.51 1720.37 2516.12 2516.0 2500.55 2337.73 2423.83 2990.69 2098.38 2683.81 2822.55 2491.46 2506.84 1014.14 2720.78 2481.49 2744.26 2306.76 2328.38 2408.45 2218.91 2642.18 2608.92 2613.77 2550.82 2983.37 2397.54 2160.47 2592.87 His-Phe-Ser 9183.89 7232.75 6429.89 10303.22 4816.69 8058.86 9367.15 8056.83 2309.27 4701.95 6690.31 6833.8 7876.01 7683.06 3972.36 8193.77 4325.13 9173.78 9850.98 4276.54 7517.39 10031.43 5638.86 5660.3 6246.35 6967.02 7103.69 7796.36 6836.56 Val-Asn-Phe 5461.67 10651.81 5715.2 5362.87 5197.98 5873.18 5362.89 4717.23 4918.85 5747.65 4971.93 3883.03 5804.05 5520.95 4782.33 4519.11 3940.01 5721.29 5547.73 6027.8 4605.34 5926.28 5866.74 5590.47 5867.65 4190.23 5609.49 5804.15 5755.48 Arg-Ser-Lys 7450.14 12809.27 8142.13 7478.97 7130.97 14143.85 14002.08 13401.29 7163.43 7612.02 7012.03 6809.69 7541.42 7134.96 7355.0 7154.61 7881.32 8037.12 7513.93 14450.96 7066.01 7441.53 7371.57 7988.13 7322.71 7434.4 7735.82 7273.48 7650.22 (8xi)-11,15-Dihydroxy-N-(2-hydroxyethyl)-9-oxoprost-13-en-1-amide 4935.01 4145.3 3991.43 6585.98 4090.52 3358.97 3557.28 4451.25 4984.26 3578.38 4738.18 4487.81 3021.03 4597.89 3727.04 1801.48 4345.06 3156.11 5438.5 3701.06 5021.28 3943.02 3931.92 3424.37 3010.81 4519.95 3203.8 3512.28 2250.56 Gln-Phe-Leu 1436.2 6887.86 1610.9 1780.86 2422.39 1122.56 5426.26 3205.92 2551.55 1534.01 2092.24 1873.19 1349.35 1934.01 2046.72 2521.05 1707.53 755.62 1620.5 2164.23 2742.37 2280.03 2314.47 2166.3 2449.45 1764.35 2878.39 2671.0 1728.78 Glu-Trp-Arg 2526.34 2172.27 2737.17 1845.78 2929.78 1710.57 3659.97 2236.16 820.87 2881.32 1953.38 547.74 2706.86 1555.28 2482.26 1040.03 2518.66 4184.48 1083.38 1646.19 1887.99 1521.77 4-Chloro-2-nitrobenzylalcohol 3178.84 76404.29 1880.74 30301.25 8945.8 10465.36 2498.26 2101.27 10252.04 898.96 14461.28 2914.2 7621.29 6627.41 2775.12 3802.32 3817.81 39871.75 1276.24 1968.76 7751.27 3425.06 6945.56 4194.17 3859.88 6327.51 14826.19 Met-Tyr-Gln 9492.32 10726.68 14798.78 3374.23 769.58 17071.49 17124.03 11218.96 15086.8 41276.55 25442.89 18364.96 21866.86 10051.32 32677.48 10048.51 19324.25 17810.45 7695.79 11836.5 26946.34 32822.43 10119.89 13677.44 6992.17 13476.88 17316.5 11094.0 20750.8 (1-(5-Fluoropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone 2177.84 2455.89 1540.62 3414.53 3794.1 2523.84 3478.59 757.91 6690.72 2462.77 1477.19 5383.38 988.82 970.69 1549.11 1143.61 5418.87 3189.46 1673.83 4061.19 1871.98 2455.02 2595.44 1426.76 2435.52 2634.09 2738.91 2856.51 2773.76 Tyr-Arg-Leu-Ile-Val 4464.21 13127.15 3870.7 4406.84 4454.9 3892.73 4349.51 4539.24 6483.59 3551.43 5495.57 4552.94 4093.46 3958.15 4682.31 5030.6 4339.83 4392.13 4666.66 6355.07 4352.96 4506.48 4230.01 4120.72 4147.44 3688.13 4752.19 4388.47 4180.49 1,2-Dioleoyl-sn-glycerol 3446.47 3378.49 602.49 565.02 883.93 1899.98 3807.7 1164.0 4171.17 3157.04 5233.9 4331.28 4133.49 3329.95 3247.32 6144.12 7747.0 6259.42 3943.14 Cys-His-Lys 1017.1 2287.73 2304.67 2228.3 2197.31 1965.05 4718.94 1655.48 2135.57 1526.89 1863.99 1066.3 1547.47 1030.87 2061.58 1495.01 1380.53 1141.34 1876.79 1434.83 2847.94 1266.66 1234.02 2153.81 1516.06 2483.78 2437.63 2615.1 2406.64 Arg-Asp-Ile 3480.71 3202.59 2849.99 2900.75 2834.87 2717.85 2980.23 2681.33 2538.18 2510.33 2408.0 2170.55 2630.69 2340.64 2192.05 2829.0 2278.88 2495.47 2636.7 2114.95 2456.44 2171.46 2563.72 2123.5 2502.51 2008.06 1965.2 1193.04 1729.45 Glu-Thr-Thr 9261.62 9058.89 5561.07 3885.56 5218.56 7408.44 9341.62 9219.64 2045.15 4508.84 7305.23 8057.91 8451.28 9266.59 2692.98 8662.5 3988.21 9012.27 11050.96 3724.87 7607.02 7832.24 5729.59 7396.06 6285.45 7253.58 7860.1 7198.09 7541.12 4-(Butylamino)benzoic acid 1772.62 2606.22 1635.37 1977.85 1919.89 1962.57 1829.44 1903.91 1947.68 4240.88 1996.51 1921.8 2042.83 2071.22 2113.8 1956.79 1501.69 1984.33 1926.29 1923.23 1759.39 3359.69 2843.79 1686.76 1947.2 1475.82 1846.57 1711.89 2018.15 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 2410.41 3976.47 4280.81 2149.78 3470.77 4336.31 3313.62 1998.69 5141.47 3551.84 3102.01 3582.17 4688.51 1982.4 3724.82 2524.81 4692.48 3878.21 3647.46 1697.63 2821.96 4109.72 1613.21 3979.82 1459.41 3619.12 3948.66 3251.16 4145.93 Arg-Met-Asp 2624.2 3890.79 4109.47 23295.52 5354.8 3705.44 3421.59 1853.63 960.29 4874.95 1189.47 1065.12 4035.82 1812.65 2316.3 1754.32 3204.8 14538.81 2303.53 3768.39 1633.83 6479.61 7818.1 5923.25 4909.12 4942.43 4522.1 4878.48 4775.24 Asp-Trp-Met 35396.34 39848.19 29061.75 48879.05 28319.72 36008.64 34680.35 23551.42 27725.6 59577.21 31240.46 29130.66 32710.92 21793.99 25630.32 24641.82 54455.84 67764.01 16605.88 61868.26 35138.11 62421.73 62746.01 45490.37 45960.7 39423.12 39072.29 37919.62 40501.9 Pro-Glu-Ile 8444.43 13127.61 8659.72 9085.96 7836.98 8178.39 8336.89 8616.57 8035.93 8281.06 8358.54 8334.94 9704.84 7828.48 8108.81 7286.51 9346.02 8587.2 7548.53 8323.92 7784.3 8400.61 8868.71 7952.09 8648.86 8201.83 8817.66 8670.64 8907.11 Lys-Phe-Phe 5024.7 7091.31 5404.67 5582.81 5417.07 5375.33 5626.01 5007.65 5092.97 4728.16 4478.53 5300.33 5193.07 5057.1 4768.01 3464.57 4735.6 5054.5 5721.15 5703.05 5491.7 4932.93 5148.35 4804.17 5156.87 5735.53 5266.75 4971.44 5287.89 Ser-Val-Arg 6636.76 7401.25 8783.41 6598.21 6566.55 6611.45 5680.49 6237.22 9291.57 6597.84 4671.71 6746.31 4177.73 5199.15 5133.5 6576.03 5056.4 3936.49 4594.12 3705.35 9500.55 4416.32 4057.49 6945.48 2970.92 4386.19 4464.78 3574.33 4486.83 Gly-Pro-Gln 2668.78 5344.54 2484.04 7035.57 5398.56 5177.01 6752.4 3030.48 2984.64 9583.02 8707.58 3994.22 5344.86 3585.06 8849.95 3909.31 5541.63 8613.22 4639.27 2792.84 2312.13 10038.03 16143.92 7545.41 1568.99 6389.27 6174.46 6512.98 6061.24 Fluphenazine sulfoxide 12930.91 13969.99 11000.68 13106.88 10937.86 14206.2 13888.7 12321.53 10611.5 10756.62 12188.79 13246.28 11999.58 13085.64 11305.7 9577.95 9683.0 12949.42 9973.77 12288.23 11126.51 10351.98 11148.71 10355.98 9830.61 11620.07 11584.91 11335.75 11554.91 Glu-Phe-Thr-Pro-Ala 14371.2 13429.28 23116.61 24609.69 17384.08 27183.11 21226.76 20949.63 19535.54 19118.42 6470.66 10070.49 13454.8 6916.06 9516.44 2695.12 14752.15 8003.22 7316.11 55540.14 9437.26 15923.34 28357.56 16580.82 16402.98 23108.47 21475.7 25960.6 65709.24 Pro-Val-Asn 873.08 5048.75 3373.33 2169.55 3827.77 2597.95 2575.1 1399.68 3872.33 2066.94 666.22 2429.8 1242.89 2860.17 3890.91 4159.11 1094.19 4348.13 6711.81 3500.16 3233.87 2902.03 3117.76 2579.33 2973.03 Val-Asn-Val 5589.06 7375.92 4751.66 5352.09 4734.75 5370.87 5357.18 5071.22 5419.72 3772.65 4721.28 4507.14 3472.09 6391.67 4545.68 5731.79 5375.9 7191.34 5455.83 4808.76 5642.91 6111.17 5452.64 6272.87 4258.36 5161.39 5917.29 5170.89 5206.51 ethyl (E,4S)-4-[[3-hydroxy-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-6-methylhept-2-enoate 615.61 614.98 1742.91 907.86 1119.83 662.07 683.02 1478.87 766.81 1436.34 797.09 691.1 5329.08 4313.19 4160.97 5731.63 Val-Trp-Val 348598.18 321556.5 328779.79 298977.53 335013.17 349643.07 332170.43 259608.7 260686.87 298244.68 224079.55 230395.32 225793.32 232558.93 234056.13 248099.45 294429.31 251162.11 234825.45 235774.15 234650.05 256444.84 207957.09 223383.2 220006.16 210559.08 224677.63 192058.33 191091.87 Lys-Met-Arg 4661.12 7007.46 3013.33 4799.06 5034.71 5105.22 3485.67 5370.74 5157.42 4870.34 2296.58 4772.78 3389.26 5026.37 3744.08 3051.49 5277.04 4688.78 4992.55 5098.96 4220.44 2254.4 5012.94 5100.57 5290.38 2894.22 4023.42 3619.54 5204.53 Ile-Tyr-Val 241150.68 336189.64 194333.38 265846.62 241902.56 289380.4 320357.96 248865.79 142305.84 161969.94 242613.97 289653.54 246153.67 311933.55 242579.38 225100.07 172016.7 259305.99 207836.56 278462.41 189952.45 175723.09 215605.94 161146.33 148957.05 232337.04 253657.93 238610.34 234688.23 Gln-Ala-Glu-Asp 13004.83 10204.53 16750.49 10853.6 9097.42 27587.88 27087.52 12314.32 15852.85 19060.58 47831.36 19832.17 29278.18 12334.74 74385.73 17662.14 33504.06 28004.0 15779.81 11472.52 14218.18 23309.29 12056.75 25471.47 13834.6 20712.23 21567.11 20921.39 21641.29 Taspine 6050.75 3977.63 5847.99 5243.62 5609.73 6468.59 5329.55 4220.42 5992.57 6588.91 5684.15 4948.27 5345.27 3801.12 4731.25 4652.62 5312.75 4884.38 5100.08 5303.94 5890.24 6193.74 4790.3 5499.14 5251.18 4824.82 5101.22 5139.27 5233.33 Lys-Leu-Gly 3531.86 2844.64 3391.19 2890.17 2208.41 3169.06 3550.55 3691.91 2640.22 2866.16 2881.62 3121.39 3177.28 3378.04 2082.85 2253.6 2767.27 3395.64 3020.88 2697.88 3140.98 2967.28 3392.72 3251.36 3387.91 3447.68 3840.24 3236.65 2959.31 Arg-Pro-Asp 1845.51 2455.96 3916.78 2971.12 3178.39 3080.68 6150.17 1059.3 3530.28 3462.48 3269.87 3539.2 2586.22 2497.38 2442.56 2639.76 2829.05 2114.97 2570.42 2411.69 2850.64 2897.06 2716.69 2776.7 3379.72 2532.65 3663.24 2444.81 3147.15 Asp-Pro-Gly 8462.13 6057.87 8619.23 7900.3 7511.63 7002.61 7045.03 6682.06 8790.83 8184.08 6624.98 7372.04 7662.61 6233.78 6437.83 6666.14 7534.03 6953.24 7090.83 7468.62 8092.91 7962.9 7050.51 8464.5 7329.61 7327.76 7753.66 7344.9 7447.79 Tyr-Phe-Gln 4723.91 2832.42 1940.55 3595.33 4470.58 3382.76 4216.99 4117.05 3925.71 3445.51 1940.63 3186.34 3516.97 2001.96 3618.98 1551.18 1620.69 3201.07 3310.34 4002.83 3040.22 2223.51 3191.24 2263.94 1282.37 3508.35 2171.07 3612.03 861.72 2-Hydroxyibuprofen 4855.3 10015.61 6093.15 5064.21 4216.62 4314.93 5530.0 4607.36 4684.1 4547.09 4792.46 4688.82 4559.99 4339.2 4304.8 5239.72 5094.8 4582.23 4581.53 4933.24 4707.11 4942.96 5218.3 5099.14 4511.13 4489.36 4795.76 4634.28 3742.95 Leu-Gly-His 3513.67 4447.83 4458.91 4790.85 3949.59 4026.58 4304.8 3478.45 3946.18 4213.67 2759.85 2850.18 3214.71 3059.05 2979.39 2184.72 2968.42 3450.6 2682.58 2859.05 2503.31 2851.62 2617.26 2696.34 2675.54 1009.51 2347.61 2410.23 2817.08 Arg-Cys-Ser 875.89 3006.87 1004.43 1573.26 1828.81 1287.63 2083.61 1113.21 1924.08 1043.63 1354.93 1959.64 1303.74 1039.53 1242.21 1920.74 1311.18 1802.45 963.41 3242.64 1861.94 1801.16 1884.43 2789.62 1588.16 2450.91 3026.73 2046.13 3314.77 Tyr-Ser-Tyr 29342.67 15271.75 45890.8 16308.9 14339.95 18465.37 24728.98 14120.84 34752.69 35030.45 18807.04 15926.18 35363.86 13564.72 17866.55 18158.46 14070.02 21638.37 28334.97 24935.19 28504.56 34427.64 23094.2 15788.17 25595.52 25005.29 23744.24 27208.81 30125.87 Arg-Gln-Asn 2941.34 2699.77 1947.27 2010.57 1992.15 2559.41 2540.48 1833.73 2941.99 2746.38 2288.68 2383.22 2790.35 2590.46 1849.79 3051.83 2166.2 1317.08 1932.98 2220.33 2261.13 1843.19 1663.03 1922.6 2391.6 2131.82 1904.51 2143.21 1291.72 Tyr-Arg-Leu 11457.66 1072.5 940.35 12326.84 7019.6 7885.03 8673.49 7326.17 9811.68 9426.04 9062.76 10120.71 9959.2 10378.47 10373.08 10889.19 11420.76 11746.31 12860.14 14197.79 14304.81 11535.73 Tyr-Phe-Glu 15638.49 15646.27 16687.78 11241.95 11166.41 17424.15 25108.83 12805.98 9595.81 17592.98 15014.07 13846.34 13631.4 12168.11 16898.09 8478.23 21504.05 18707.51 11652.81 17534.52 16912.29 18530.09 15760.93 18210.25 9141.52 16473.8 15449.74 16952.47 14064.16 Ethalfluralin 1374.1 2761.88 1588.97 1929.33 709.69 1355.66 1821.82 1688.15 2357.59 1789.71 3466.11 1419.01 1952.83 1749.86 1363.1 2492.64 1878.78 1700.05 1962.2 2599.29 1992.83 2323.06 1801.01 2283.67 1959.22 2105.66 2288.97 1934.38 1872.23 Asn-Gly-Val 3409.95 3157.83 3049.31 3580.17 3038.79 2235.35 3752.81 3588.6 4289.3 3430.01 3055.62 1348.45 4283.46 4314.96 3883.51 2605.09 3829.29 5271.48 4183.41 2638.7 4266.84 4500.11 3469.57 3345.81 5031.56 3650.43 3718.1 3859.45 3843.54 Pro-Pro-Glu 2304.11 1003.38 3464.3 1889.55 2120.87 1621.01 1819.74 1307.41 1134.24 1558.06 1374.66 1237.76 1362.85 1987.96 1274.34 1831.71 2261.58 2940.13 2162.88 1829.96 2370.21 1793.86 2035.8 1754.24 1917.12 2940.14 2758.78 2609.26 2691.19 Bouillonamide A 8365.74 750.01 2481.64 593.54 3498.03 8559.3 6639.39 2569.08 5058.5 5998.52 7779.07 6245.45 7768.31 12339.85 5397.72 4108.72 2288.41 4357.03 2954.6 4478.83 4377.41 2937.09 4617.43 Trp-Gln-Gln 2903.73 1207.64 2765.98 3369.46 1908.2 2396.55 2571.81 1905.46 3465.08 3119.2 1974.25 1115.26 2657.16 1543.09 1604.13 1266.75 1415.57 2818.36 1212.14 2867.58 5339.16 2608.35 2445.31 2577.48 1802.79 2454.16 2636.84 2191.53 2203.88 Lys-Val-Ala 6987.15 10109.95 5609.89 7868.5 3593.69 8463.46 6566.99 6757.34 4162.7 7383.48 7510.24 4808.08 7224.02 6684.51 5663.72 7519.55 8168.27 8313.76 7373.52 5522.8 7176.54 8008.7 7892.74 9288.5 7449.13 6412.73 6163.63 6148.04 6343.03 Tyr-Leu-Ala-Lys 7294.05 11891.49 6009.12 6621.08 6696.14 7207.93 4581.11 4666.14 6056.46 6463.93 6506.15 6545.0 6410.16 4457.99 6134.76 6397.57 6796.12 7198.32 3782.15 7439.56 3341.03 7982.9 7398.99 7351.16 4906.6 6846.07 6993.22 5901.97 7078.51 Petunidin 3-(6''-acetylglucoside) 7473.05 11465.84 18899.84 52172.6 15843.26 10615.33 11128.35 8341.81 18644.96 17326.79 26572.03 9409.65 10500.72 11860.17 14045.67 9951.48 19186.56 25241.72 32342.14 22380.64 8590.62 23654.63 9830.13 3883.24 9050.34 9895.2 28072.9 15382.68 9627.75 Gly-Trp-Leu 3066.65 6352.4 3717.63 3347.01 4070.44 4130.59 3597.4 3146.32 3847.42 2357.6 3644.53 3202.24 3435.26 3427.87 3275.65 2375.94 3100.36 2650.73 3635.43 2460.54 3670.8 2942.89 2741.73 3056.43 3152.25 3783.67 3488.51 3453.39 3087.51 His-Lys-Phe 5797.93 6399.71 5175.69 5415.32 3841.25 6520.78 2180.99 5504.82 4957.31 5482.85 1955.05 5489.75 4062.78 5125.01 5058.77 1594.2 6036.36 4752.3 3689.14 5315.85 4442.4 4759.57 5556.81 2888.58 3877.71 5837.36 5088.4 4007.36 5291.09 His-Gln-Phe 5758.55 7558.83 5719.15 8209.96 5622.99 3857.14 9448.93 7995.58 3352.38 5245.49 4710.6 5656.43 5870.74 6185.91 8187.78 4479.22 4023.25 5638.0 6401.99 5909.56 5300.71 5664.57 5198.78 4445.91 4792.93 4886.78 5681.37 10163.54 8211.9 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 52293.05 61965.67 130083.8 39671.51 56338.24 54560.16 36893.24 65742.44 35048.16 35260.67 30555.41 63385.54 20993.96 67796.71 66170.77 24108.68 64676.03 23643.95 45486.52 50406.36 39507.63 70312.25 71655.29 55208.62 33341.9 68625.49 54848.29 55381.71 27140.82 Asp-Cys-Trp 3657.69 5719.99 4639.19 3315.76 3484.86 3620.62 3782.85 3235.72 7914.77 6742.52 9078.28 3316.25 3791.61 3528.23 4139.53 3410.57 5386.59 3497.76 4302.69 6416.95 3741.88 4070.78 4031.24 2592.84 4107.04 3826.34 4833.72 3562.1 4078.03 Thr-Pro-Thr 2400.95 1746.31 1573.67 1362.36 2500.09 1141.87 1543.69 941.02 1432.28 771.84 1062.12 1315.44 807.26 2291.24 1810.71 2206.28 2543.89 3692.59 1786.37 2242.66 1846.09 2503.4 2732.16 2084.32 2794.99 3683.7 3775.05 3587.6 4167.13 JWH 073 5-hydroxyindole metabolite 31475.37 29427.37 29696.18 31167.49 27038.02 29938.28 29387.57 25037.32 24606.5 27609.24 20120.01 23257.06 21356.67 18434.83 20427.96 23017.68 20389.3 16680.52 18623.24 21321.04 19307.62 21067.73 18862.06 14856.83 11990.71 16895.36 16478.87 16459.62 17189.27 Albendazole-2-aminosulfone 5182.15 5984.74 8033.07 9434.76 8869.64 4330.44 5891.61 6728.87 9234.92 11352.52 5667.04 3142.14 9598.51 6844.02 6256.3 7449.52 6144.54 6693.91 6248.17 5391.19 4690.92 6235.89 11060.81 6010.1 4045.63 7042.22 7160.91 7043.77 7214.84 2-Azaniumylethyl 2,3-di(tetradecanoyloxy)propyl phosphate 2561.47 3292.62 2037.76 2388.53 2159.87 2957.66 2266.4 2603.09 2420.07 2184.38 2407.71 2100.8 2254.05 1587.25 2061.4 2631.42 2600.45 2369.02 2101.3 2324.94 1890.96 1635.3 2193.62 1247.98 2098.44 2502.18 2091.49 2326.49 1694.26 Phenylethylmalonamide 3839.18 2898.08 3753.64 9457.38 5009.22 3985.97 4092.22 2520.2 3233.18 4060.73 2010.06 3558.93 3541.44 1426.47 3951.62 1417.45 5903.12 9980.92 3179.76 4325.32 4506.1 4367.76 4532.28 6963.5 4270.48 4127.23 4042.25 3569.28 7144.64 Cys-Leu-Gln 4598.58 5456.18 3708.78 4764.09 4133.7 4184.08 4219.74 5122.98 5164.24 5232.09 6956.34 4920.13 6143.8 6042.64 4875.92 6238.28 5304.73 5735.42 6192.0 5269.12 5215.82 5073.37 5398.32 5549.35 5384.51 6729.98 6651.74 5783.31 6336.09 Cys-Gly-Asp-Val-Met 19615.69 24654.08 32399.45 57475.86 37159.81 38309.55 44834.16 21506.14 20207.08 29375.94 30276.18 17218.15 27687.41 22658.15 51388.07 15020.92 50155.36 55437.1 22637.86 34423.44 20958.86 31580.68 30990.03 31746.33 22690.03 37811.06 38546.36 35582.21 34540.88 Tyr-Ile-Asn 1395.92 3129.57 2001.11 3629.23 2440.75 2677.29 2654.81 3382.9 2228.55 1624.86 1949.18 3217.17 1810.43 3518.3 2830.74 2027.23 2326.11 1353.94 2277.01 2598.84 2092.05 2160.37 4069.24 1179.6 3909.25 2842.15 1672.03 1849.47 2611.44 Gly-Thr-Ser 3638.16 5068.06 3571.06 4318.97 4295.22 5565.33 3222.86 5199.33 5067.74 5546.33 4418.25 4808.73 5447.48 5468.12 4305.99 4444.94 5249.86 4292.18 5061.47 4388.17 4228.71 4846.96 4843.86 5242.54 4124.67 3853.72 5097.44 2480.94 5205.72 Ala-Cys-His 1924.9 1806.81 1204.93 1490.72 1989.08 1584.74 2209.39 1885.27 2047.67 2160.88 1621.8 1680.85 1282.96 1494.16 1967.29 1753.79 1658.43 1697.3 2290.56 1955.74 1628.7 1797.75 1719.64 1607.91 1824.04 1820.07 1878.42 2138.37 1064.71 PE-NMe(16:0/22:4(7Z,10Z,13Z,16Z)) 1127.32 4406.42 993.78 625.83 1110.93 515.28 3395.54 1915.72 2189.61 831.22 2589.08 3913.86 947.58 1191.91 947.09 919.54 2481.07 2433.66 2473.05 1628.81 2049.81 2279.09 1477.37 2000.87 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine 25620.73 112661.49 418761.46 369249.08 247406.58 107478.89 61754.12 127271.89 67094.83 92161.16 207566.39 201830.6 143389.53 253431.05 271612.0 38603.65 255251.34 123760.81 319328.13 270236.52 179585.13 222786.02 241869.73 282106.57 172594.35 214761.9 226953.05 175868.87 216787.49 PE-NMe2(18:1(9Z)/18:3(9Z,12Z,15Z)) 2230.25 33997.07 1497.21 2051.16 7703.81 9305.67 5192.23 20843.82 11577.57 13049.24 69181.59 69182.94 70678.32 74370.59 52414.71 9484.26 31975.73 27393.33 70970.26 61731.89 33757.25 53801.7 45862.32 74161.72 35065.52 77660.68 36237.55 33643.96 29333.88 UDP-N-acetyl-D-mannosamine 2283.12 913.2 2842.89 1205.8 666.14 1107.49 1426.87 1838.76 1670.37 5284.49 2103.04 3445.52 3623.45 1115.19 1310.25 696.12 2945.75 1142.98 1218.49 1411.98 3254.71 2185.59 623.4 996.5 823.65 1657.99 1914.64 2481.34 2930.27 Indan-1-ol 9624.63 11718.97 7079.36 9391.42 9100.29 10194.2 11125.52 8931.4 5171.33 5772.21 7998.54 10324.59 8765.62 11526.06 8458.54 7135.08 6257.75 9033.01 7247.84 10507.11 6917.77 6941.58 7560.16 5583.64 5548.16 8471.94 9095.42 8005.51 8378.02 PA(18:1(11Z)/20:3(5Z,8Z,11Z)) 5755.58 840.86 1866.53 1713.6 2420.62 2962.67 2362.98 1588.07 3805.4 3274.04 6597.1 5140.81 5380.64 7410.19 4335.76 9429.64 6693.04 5135.25 5542.36 6439.46 2168.21 4604.76 2323.72 9034.72 5161.04 7825.74 4309.05 PE-NMe(15:0/18:1(9Z)) 14926.8 18335.73 832.24 10887.02 722.26 1400.01 917.49 1338.73 1086.65 3492.07 4175.56 4412.68 8862.12 9711.01 11650.24 6794.41 3-Methyl-cis,cis-muconic acid 12569.83 10251.28 10205.4 14221.59 11625.98 11246.37 11970.23 12083.58 10741.97 11117.26 10735.7 8827.01 13643.47 4307.9 12005.96 12421.37 11334.71 10393.22 13194.52 14061.64 10914.34 3508.0 11454.56 11082.48 12413.7 11159.42 15805.64 10091.39 12572.36 PE-NMe(15:0/18:1(11Z)) 108944.55 1398.83 7997.2 23708.11 96701.91 100440.54 29065.57 83092.21 131133.54 149040.99 157138.59 194628.27 188686.03 101739.62 88097.93 27221.2 131535.32 42488.88 109397.73 96607.04 31182.47 121117.91 30281.88 35392.37 39357.84 Chivosazole F 2155.04 6132.41 4020.17 4077.33 3058.96 2787.57 3941.07 3722.29 2905.8 3682.16 3372.97 3538.18 3533.82 2741.51 3405.3 3045.12 3844.17 2845.4 3967.34 2437.56 2137.47 2917.58 3419.92 3390.96 2186.31 2196.59 3401.66 3519.71 3363.11 PS(18:2(9Z,12Z)/18:1(9Z)) 14865.11 13501.16 11349.42 12419.45 10649.18 13141.71 13497.05 12194.23 8605.24 8887.16 14078.32 11488.35 10279.43 12089.68 8906.44 11617.02 9054.73 11080.52 10387.59 15589.21 9348.77 9069.81 10493.98 8527.26 8604.86 11803.25 11817.34 11334.38 9449.22 6-Thioinosine 5'-monophosphate 6168.65 2975.9 4166.01 6341.25 6677.86 5372.98 5692.3 5199.01 4221.14 3144.78 3357.92 2990.68 2809.43 3326.38 2975.47 4622.4 7371.12 5427.63 5422.55 5855.39 9118.01 5799.85 3516.23 7151.35 7700.33 6038.83 6092.6 7343.12 4621.72 PE-NMe(18:1(11Z)/15:0) 115944.18 749.81 31181.66 19465.46 61116.47 36442.28 77122.79 236967.6 214408.42 211312.85 257975.21 116491.12 77109.51 203506.86 256586.66 42029.81 157881.14 121135.19 226764.09 219255.96 278790.13 268758.46 148704.75 42757.0 55417.49 PA(18:3(6Z,9Z,12Z)/20:0) 11327.57 902.03 1626.21 4319.97 4161.82 4893.15 5552.79 10824.29 6899.14 7181.28 8117.91 8684.15 1206.84 8327.71 8227.16 8046.44 7888.04 8932.4 9070.8 10392.46 8975.46 9416.82 10726.68 10356.73 9633.51 10467.87 2-Iminobutanoic acid 7876.36 5870.24 8120.48 7228.79 7168.98 7674.9 6862.65 6682.69 6689.27 7224.81 7453.94 6075.69 6217.3 7330.94 6523.23 4961.49 6801.95 7414.4 6848.28 6598.6 7126.93 7299.92 6708.58 9131.22 2071.51 5753.34 6358.18 6618.66 6410.81 4-Amino-2-hydroxylamino-6-nitrotoluene 47613.49 41247.67 49057.23 44054.67 48885.39 45445.94 47335.64 46967.75 43017.13 46401.72 42573.45 47650.91 42705.37 42058.26 42508.52 40446.43 45615.63 43054.22 51284.52 49301.11 50672.5 48207.97 44306.71 40390.96 40948.99 40359.47 40633.93 46509.85 49591.48 2,8-Dihydroxyquinoline-beta-D-glucuronide 4263.39 7384.54 6298.93 4099.21 5768.02 4119.33 4812.95 6177.34 5404.18 4912.1 3999.8 5099.79 5134.18 6100.01 3831.74 6733.58 6325.59 4874.83 6128.19 5311.29 7368.71 9217.3 10445.37 6491.92 5258.93 5654.33 5747.87 6106.16 6132.63 PE-NMe(18:0/18:1(11Z)) 996.2 1335.8 2101.69 3195.47 3728.57 2940.05 1111.97 3679.24 3046.59 3415.23 2736.84 3076.99 3250.51 3901.12 3897.61 3148.43 4179.74 3466.12 3724.49 1876.1 Acetylhydrazine 3889.83 3803.95 4438.75 2571.1 4749.23 3509.67 2534.78 3687.25 2368.12 3761.43 3883.69 4694.88 3534.46 5129.85 6449.82 4100.93 4014.01 4065.34 2867.33 3567.8 3850.2 4000.37 3980.62 3675.6 4412.91 2596.55 2521.53 2627.34 3772.85 2-Methylphloroglucinol 50790.99 40413.4 49102.9 45624.55 46889.23 46216.45 51097.34 52131.29 41205.51 47536.55 42857.85 44393.8 51596.52 44915.95 51486.0 40031.01 43629.3 45447.57 48426.96 47868.51 50651.31 40510.51 41768.12 43228.63 42261.03 49922.55 45655.91 49235.91 54471.01 Psychotrin 9868.8 16499.59 9233.43 9897.23 9403.0 9886.37 9631.12 6951.8 9557.68 8763.54 7464.48 9842.05 9270.11 9573.8 9666.81 7328.11 10295.94 9820.92 9776.88 9587.91 9840.2 9861.67 9912.39 9960.1 10657.63 10236.11 9776.41 9550.56 10053.41 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 842.44 3049.47 1194.09 1703.11 1369.98 1094.88 675.41 1117.89 1116.39 806.29 1073.36 1322.67 1177.04 1160.4 547.77 505.14 1975.4 871.94 698.97 821.74 1371.54 726.72 668.79 1889.78 2030.41 982.13 5,6,7-trihydroxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 56321.88 81719.78 55220.76 54831.86 54259.63 56262.04 56073.46 55870.45 54492.64 54417.48 44586.83 52823.88 52074.37 53272.06 53634.42 59814.08 54262.67 52202.66 52450.05 54555.15 52132.8 52874.45 51743.02 54901.54 52338.92 52706.93 52757.04 52600.95 53573.68 Acetone oxime 45910.14 41000.71 42392.88 43867.33 45870.34 41255.09 43883.87 42656.6 40724.73 42890.99 38830.11 41907.49 39747.32 43273.8 41889.32 38839.14 42215.82 42610.69 41052.49 38323.92 40231.94 38828.65 40983.21 39154.95 41517.71 38640.45 39407.3 38331.36 37633.25 2-Methylene-4-oxopentanedioic acid 126069.37 122270.39 114433.16 109974.64 114120.76 132196.23 120374.42 125378.18 113533.58 132113.26 122355.36 123161.64 120726.81 114192.8 75460.73 108360.3 120714.31 86468.94 118456.69 113911.71 117667.68 119226.71 133485.42 136580.85 125708.25 110539.8 105841.18 113981.38 68272.75 LPE(0:0/22:4) 7371.01 2862.24 3155.78 6603.83 3525.0 3640.72 4693.22 6743.12 3947.17 3128.71 1125.86 3954.48 3024.86 4274.76 2339.15 2811.49 3526.05 2848.3 2710.37 4709.58 2254.45 3906.24 3382.4 3009.97 3723.78 3050.86 2929.02 2956.4 3661.04 (7R,8Z)-bacteriochlorophyll b 3143.21 7194.3 5623.68 7906.43 5646.38 4556.27 4279.84 11372.98 6267.65 3989.32 8395.42 8210.07 5123.16 11983.93 5968.0 13410.28 4280.64 5941.07 8162.45 5129.68 6754.96 3452.85 6687.73 4269.96 9437.07 7396.6 9490.86 7757.42 7172.54 L-Fuculose 1-phosphate 77185.81 121762.59 74244.44 74672.89 71810.28 75039.8 76919.2 69218.23 73301.88 71369.67 94675.5 72014.98 70046.6 71741.0 97274.9 76335.82 91096.42 72116.92 95373.47 72842.57 69368.94 71143.64 67966.19 70664.72 69398.15 67253.27 69133.96 68540.48 70568.22 Mollicellin J 44747.49 58783.64 45509.1 45972.77 45041.53 45055.94 45164.03 44999.53 44873.51 42480.15 35837.41 41975.83 43063.58 43840.02 44901.95 48832.94 43958.58 44456.97 43490.05 42443.46 43806.09 43209.79 39799.44 32361.09 42278.37 43433.89 42370.27 41763.0 41754.61 2-epi-Valiolone 6742.12 13197.13 6293.29 10277.07 7395.6 23668.97 8887.66 8205.81 21738.15 19314.92 13048.18 5924.55 7887.07 16120.71 23049.7 8342.24 13981.73 5568.71 10580.48 25095.74 21253.67 24955.77 22786.88 20868.34 12511.12 18941.63 11023.31 8093.34 24520.03 (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid 13133.06 2652.19 6242.97 7936.03 8440.06 12521.91 9677.63 8663.39 16218.77 14608.88 15803.11 16583.27 12992.14 12492.37 12059.5 18085.86 15698.18 10934.7 12953.43 15398.04 19090.62 15393.2 14885.91 14769.31 16785.46 13813.3 Thiirane 4160.23 1930.1 3365.02 842.76 3487.78 3261.92 3211.2 2826.04 3345.03 708.84 3340.82 4085.53 3085.5 3040.43 759.78 837.08 2757.98 2217.83 2332.99 1920.41 1920.88 6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose 6764.29 4686.35 7192.75 6149.63 7105.25 15261.07 6383.2 5891.3 11267.38 5695.33 4717.6 6071.59 5946.36 6860.61 5297.27 8969.58 6250.16 17936.39 5800.4 5279.78 6258.04 4189.21 6638.11 5232.3 5365.03 5492.27 5839.72 12138.41 5614.69 Germacradienol 3279.37 3879.18 2962.4 3234.36 2985.55 3071.03 3079.67 2292.54 2529.06 2541.79 2083.88 2289.42 1459.56 1489.3 2102.78 2160.8 1337.48 1396.11 1411.92 1521.94 1418.12 1630.78 1386.98 1192.9 927.79 984.36 1634.84 1803.26 1019.26 2,3-Dimethyl-6-geranylgeranyl-1,4-benzoquinol 1497.06 875.38 1780.12 1396.21 1372.0 1258.15 1127.31 1298.66 784.13 1353.13 925.67 1009.49 1270.72 873.3 1193.66 1016.49 1295.63 1114.03 1195.74 741.29 1604.27 1412.49 733.61 1305.18 3-Hydroxy-2,4-dioxopentyl phosphate 20107.84 26535.64 31073.93 27771.23 19856.52 26624.77 18313.45 25226.12 28317.07 17670.28 24513.41 24300.77 28140.68 23337.34 22703.94 11690.46 27984.11 27511.24 14811.56 26802.98 26761.52 12449.81 13414.74 13369.85 24903.4 25752.02 7280.82 24209.73 12862.61 LPE(0:0/18:1(11Z)) 17336.68 20882.87 18698.53 23616.82 26460.77 18582.79 23083.89 45899.33 29141.33 13357.28 20446.96 17703.3 17320.74 23445.29 14211.96 18230.03 17242.28 26547.82 26512.05 19852.8 18728.61 18897.11 23690.57 23970.32 32193.93 22494.74 15352.11 26523.31 27188.86 Mg-2,4-Divinylpheoporphyrin 11729.03 20941.55 24156.28 14982.4 8843.38 18097.09 18784.65 17594.69 21296.96 21518.29 43311.74 19529.66 17675.08 19690.45 32587.48 12588.26 17328.96 20264.5 30058.95 19783.11 18380.11 20698.06 17296.37 24787.05 22574.35 29528.86 23814.25 18824.41 27607.88 Phaeophorbide b 3032.53 3159.48 2179.81 2047.99 3286.95 2835.62 2665.92 2295.26 3357.19 3080.39 1275.91 2264.93 2809.35 2349.64 2640.88 1806.28 1996.75 2327.93 3091.26 2767.18 2172.68 3043.74 2149.8 2305.58 1798.56 2351.44 1874.12 1605.82 2198.4 n-Methyl-l-valyl-l-tryptophanol 4816.98 4458.75 3855.91 4346.27 3837.16 4143.62 3521.07 8455.82 3549.9 3881.46 6559.46 3509.88 5456.26 4087.96 3752.16 4063.79 3939.72 4517.13 3943.75 3727.76 3964.15 4270.38 4351.88 4698.78 4678.39 4174.77 4050.78 4180.97 4695.89 S-methyl-5-thio-D-ribofuranose 1154.88 3659.14 4083.66 4209.15 596.75 1555.09 2621.04 4059.97 5920.98 1365.29 4790.31 2705.9 1945.41 2500.02 1220.91 2826.29 869.19 1314.99 814.23 2430.14 5452.95 2554.16 550.63 2829.79 2807.02 2971.34 3022.37 beta-D-Fructose 6-phosphate 1760.44 1435.22 1331.06 1560.76 1340.12 971.7 1418.03 1370.04 2852.39 1474.91 1642.72 1420.24 2402.12 1096.34 1752.23 656.78 1736.91 2456.04 1629.78 1297.48 1524.74 1519.38 2259.17 1537.3 2051.46 1683.06 1579.61 1846.04 1587.32 Licoagrodin 3830.64 5787.56 3250.67 4145.88 3433.74 3640.42 4429.78 3929.23 4034.68 3382.84 3018.89 3979.26 3472.97 2961.56 3631.43 5181.15 3525.02 4041.5 4292.83 3550.92 3377.27 3902.73 3769.65 3184.91 2857.86 3929.81 3544.02 3403.81 3948.71 [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl hydrogen sulfate 143208.87 148830.3 146886.62 142633.13 155367.26 112684.48 147133.74 125953.19 110371.16 140166.37 116523.73 136142.04 101498.49 148662.13 130145.49 116174.53 137351.52 140351.91 115793.6 105632.4 123080.0 116040.46 125078.16 117883.44 118833.55 114517.82 113794.24 111635.39 105569.74 1-Erucoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine 2584.54 912.52 1037.13 3446.72 2556.61 1666.96 2427.58 2094.64 2377.97 2923.96 2095.72 1127.33 1707.67 1726.42 1475.86 818.9 1041.92 2047.02 1787.92 1745.47 2122.32 1592.03 1784.07 2056.26 773.12 1823.23 2211.43 1923.39 648.97 Avermectin A1a monosaccharide 6677.25 10996.94 6297.78 5753.42 5663.91 4878.23 6519.58 6490.66 6022.15 6082.88 3504.84 4583.0 3762.16 6302.01 6870.8 3158.06 4614.4 5515.86 4495.19 7009.13 5957.33 7007.78 3783.15 7469.17 6236.13 6363.07 5463.26 6185.14 4322.33 4'-Apo-beta-carotenal 3515.24 11782.08 4828.15 4985.06 5030.18 5660.68 5008.18 5085.49 4775.91 4809.85 7626.86 5283.48 4467.73 5261.07 5817.11 5801.78 5123.07 5746.6 3289.88 4990.96 4418.52 5283.05 5013.47 5017.44 5275.65 4934.84 4947.17 5005.7 5489.37 S-Inosyl-L-homocysteine 1942.47 1992.44 2212.25 2391.3 1306.85 2212.68 3098.69 1692.82 2014.85 2063.43 1564.95 2074.06 2291.58 1952.04 2131.26 1534.47 2076.06 1675.74 1999.24 2291.96 1996.76 2049.93 2063.37 1753.64 1936.66 1633.24 1875.5 1961.94 1630.05 2-Bromoacetaldehyde 13656.08 13981.7 12889.13 13746.49 14468.57 14268.68 14056.62 15138.27 13508.67 13198.24 14292.14 14839.92 13572.59 15237.63 12954.1 11077.26 13497.6 15485.55 15055.95 12038.22 13944.14 14705.05 12754.1 13052.06 13203.45 13802.35 13741.28 12499.03 13778.89 (+)-(3S,4R)-3,4-dihydroxy-3,4-dihydrofluorene 2155.59 4641.86 3101.11 2058.57 1867.84 2547.65 2060.09 2163.99 2489.3 1991.26 2014.82 1825.98 2397.28 2033.03 2207.18 2152.43 2324.8 1681.32 2202.93 1838.24 2374.69 2256.94 1880.75 2066.76 2078.51 3140.04 2800.01 2364.49 2422.06 cis-3,4-Phenanthrenedihydrodiol-4-carboxylate 10887.71 6358.96 4722.7 4841.89 4339.83 4457.59 4260.28 4795.33 4364.05 4197.49 11024.42 4524.6 4653.92 8365.6 4239.29 4632.87 4419.16 4508.21 6777.47 4727.41 4581.13 4417.87 4151.61 4483.25 4179.63 4804.83 4519.14 4239.2 4534.98 Fusicocca-1,10(14)-diene-8beta,16-diol 2751.32 1431.41 3171.79 3800.75 2122.33 1894.51 1420.42 7595.0 3946.64 1595.38 665.93 1519.97 1706.28 4184.64 758.33 4840.7 1159.2 1399.2 2317.54 1112.56 587.74 1434.79 2000.48 901.81 1881.53 1606.99 1268.04 3087.39 1654.53 9-Decenoylcholine 2572.07 1805.12 3254.92 1358.59 2558.54 3840.29 3348.29 1602.39 2364.57 2104.72 1669.53 1943.29 1012.13 3980.41 2205.53 3554.06 4264.41 5568.43 3222.85 2621.8 3661.2 2712.13 3686.66 1474.76 3004.26 3963.81 3934.06 3632.23 3883.75 (2R)-3-sulfopropanediol 14566.92 21283.59 19039.6 29222.09 22732.5 15939.3 23680.85 14524.32 18379.44 15649.0 26559.62 21053.03 17466.2 15297.11 19070.53 16195.05 15318.01 16088.33 19687.03 22715.18 24700.23 21881.51 16654.65 25530.38 21248.57 25741.11 20668.29 26683.94 25136.44 ({1-[6-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-7-hydroxy-2-methyl-2H-chromen-2-yl]-4-methylpent-3-en-1-yl}oxy)sulfonic acid 16663.67 64894.2 48787.55 46439.13 99902.42 24130.42 25312.76 24957.87 37509.9 40472.04 57479.51 52997.89 30193.5 58747.17 26919.08 28465.69 53307.43 52175.24 82016.66 46616.26 47341.6 32704.4 37673.56 7738.7 36628.03 56692.78 86401.69 63378.98 23637.64 Lolitrem B 8521.43 11794.74 8950.04 8628.85 7617.29 7373.15 10022.07 10143.25 8745.78 5477.95 5998.44 7938.46 10282.0 8207.64 7235.76 3409.49 9198.65 9715.12 9643.8 8896.07 8325.09 9355.84 8571.54 8670.97 8578.92 10992.01 11211.41 8486.66 8505.18 Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->4)-b-D-galactosyl-(1->4)-b-D-glucuronide] 13583.67 8069.4 15936.95 11901.39 12606.32 5077.23 2913.25 17131.21 11607.63 1789.84 2539.97 12594.9 4444.68 1906.73 13984.14 5943.41 1261.7 6975.11 1701.53 3430.75 6905.83 25468.8 6695.98 6724.03 6593.29 7328.24 3'-Amino-3'-deoxythimidine glucuronide 8046.77 7025.67 12642.81 11978.97 7594.07 15504.03 14843.99 6836.18 7925.5 18167.3 19045.37 6825.38 12855.29 6061.82 25156.77 10878.69 14053.52 16221.12 6410.59 7441.53 7039.17 12384.27 11352.65 20352.09 6749.63 10885.55 11614.27 9364.19 11450.34 (1R,4R,4'R,5S,5'S,6R,6'S,7R,9R,11R,12R,13S,14S)-12-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-5,5',6,11-tetrahydroxy-4'-methoxy-4',5,6',7,9,11,13-heptamethylspiro[3,15,17-trioxabicyclo[12.4.0]octadecane-16,2'-oxane]-2,8-dione 5499.4 11293.07 6523.2 6059.1 5571.7 6185.77 5331.38 6033.21 6473.19 5607.81 4915.28 5719.38 4550.87 5192.89 4555.53 1570.98 5742.59 5589.62 5788.81 6026.1 5849.79 4321.75 7204.21 5078.49 7175.16 6395.83 6590.29 6491.53 4792.02 Decapropylene glycol 15426.05 23988.57 15557.97 16548.16 16200.35 17645.12 16313.39 15366.53 16389.05 16695.6 15241.61 18335.07 16068.06 16209.42 16198.22 12270.57 15422.18 16791.12 15063.14 16529.36 16960.42 14890.15 16858.48 17771.54 16756.69 16258.79 17156.8 16429.71 15663.29 PE(16:0/18:3(9Z,12Z,15Z)) 543.59 3891.47 2831.4 2292.66 5287.28 3311.97 3643.98 3717.81 7169.75 5932.03 4173.22 3528.7 1006.87 5527.64 2053.75 3920.25 6303.6 4617.23 1574.1 4918.9 4773.35 1005.64 3442.44 3574.96 4692.73 3356.17 888.09 3303.85 NCGC00384765-01_C20H32O9_(1beta,2alpha,4xi,5xi,9xi,11alpha,12alpha,13xi,15beta)-1,2,4,11,12,14,15-Heptahydroxypicrasan-16-one 9865.06 9564.19 9827.77 9372.59 9012.7 9888.01 8423.9 9185.8 8570.0 8543.32 6809.2 7191.49 8204.47 8487.78 8559.4 5032.4 6386.82 8576.34 10782.04 8122.39 7316.94 7780.25 7962.81 7204.19 6713.49 7148.21 7583.68 5439.96 5934.62 Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)- 5036.62 7434.11 4468.91 6985.54 7671.61 6608.35 6802.23 8075.55 5611.83 8425.04 4217.97 10662.32 7106.28 13781.28 6619.68 5544.76 16461.97 18617.93 4551.86 Ombitasvir 2967.08 3114.54 1621.64 3745.67 3771.58 3892.05 4409.37 1715.44 3045.91 2356.44 3784.0 2557.92 1167.99 3328.32 3027.05 615.08 2812.57 4378.96 4890.39 2097.64 3111.53 2967.63 2789.63 2431.26 2816.71 4164.93 3004.5 3101.67 3367.15 Diammonium ethylenebis(dithiocarbamate) 32830.48 34950.42 47436.9 35749.78 50384.68 23629.38 42556.62 58764.21 21430.74 24419.27 19559.94 42567.43 26632.61 61701.62 21463.41 24157.03 32985.75 33802.11 56518.97 34493.66 38416.08 43234.47 30393.58 33562.0 46985.13 36011.89 36945.56 36224.45 35659.7 erythromycin C(1+) 6009.03 13964.6 5804.71 5920.19 5894.01 6262.34 6154.95 5700.83 6719.96 5970.8 7362.92 6513.99 6260.04 5438.55 4411.84 7117.3 6286.6 6087.16 6071.13 5951.87 6173.96 5758.44 4415.85 6415.01 4571.19 6506.73 5815.73 5641.53 6340.67 PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 666.32 4180.83 2344.37 1247.75 2532.6 4842.02 3696.88 3906.07 4530.75 3659.81 1491.97 3223.81 4618.99 3874.8 3723.37 3012.01 4144.77 3116.58 3883.97 2497.16 3892.93 4701.47 2952.09 3671.6 erythromycin D(1+) 6708.99 18080.97 6050.76 6994.93 7393.33 6612.42 7686.59 6288.84 6894.83 7569.78 6481.77 7918.1 7864.87 6684.25 6387.66 9268.24 4284.98 7126.72 6548.14 7086.86 6715.72 7900.59 7511.67 7946.56 7508.77 4735.13 7002.89 6921.17 7401.91 PI(18:0/18:3(6Z,9Z,12Z)) 7003.89 1281.97 1131.24 1279.7 1813.58 7289.99 3870.94 6756.01 8409.03 6502.76 739.69 5985.67 6870.2 5879.02 6608.93 6034.0 7460.49 9672.11 8190.14 8995.34 7231.37 8035.96 7399.95 7930.0 PI(18:1(9Z)/18:3(6Z,9Z,12Z)) 9157.63 1315.26 651.94 1752.37 8413.12 5239.12 2614.44 8952.65 4874.03 5803.55 5967.35 6742.99 6087.63 7287.71 6454.69 6696.35 7396.3 6708.05 9325.61 7978.98 6592.71 8780.69 8593.98 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 3619.57 3578.02 13480.11 6498.61 17736.85 14585.08 15955.18 8975.2 10429.59 18843.98 20831.47 12145.62 4736.99 7252.37 14746.27 6726.73 6687.68 18754.37 22060.02 9056.82 16966.95 12888.7 12792.45 21380.51 14989.68 20843.65 20844.49 11228.68 1-(9Z-tetradecenoyl)-2-pentadecanoyl-glycero-3-phosphocholine 32236.0 925.84 1617.64 4820.62 13636.67 26378.9 44237.39 56190.42 16486.0 33826.16 33407.0 28794.22 35689.86 37781.78 13389.72 16919.9 39532.07 45285.92 22613.69 19222.13 30378.71 62650.34 18228.03 25964.38 24063.21 20760.58 PI(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 7363.01 550.59 758.24 1256.72 3199.63 4167.48 4540.23 3814.43 6815.21 6203.01 4057.7 7249.73 6179.36 3179.83 5344.54 5459.08 7164.08 5809.11 7120.38 6907.4 7138.94 8167.07 8410.42 8083.49 8276.92 7392.89 8616.41 1-Tetradecanoyl-2-pentadecanoyl-sn-glycero-3-phosphocholine 2102.07 9031.52 5500.23 5104.43 8400.71 7524.28 6032.75 7123.44 10446.41 8688.05 8706.34 7401.74 3087.55 8146.33 5211.27 8727.61 10315.79 7894.65 4805.4 9652.18 8698.2 3960.5 6777.75 7334.4 8196.15 6467.78 2841.8 8735.14 NCGC00384703-01_C48H77NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)- 30172.08 25284.52 28371.06 57757.37 33782.25 49557.33 51521.36 45142.48 28862.28 22089.02 8622.31 10667.87 29199.96 15859.41 16311.34 4979.56 29588.13 18779.91 10081.04 20307.55 17606.06 7994.39 23481.89 25512.43 14522.21 47251.35 20863.67 23853.14 35809.34 1-(9Z-hexadecenoyl)-2-hexadecanoyl-glycero-3-phospho-(1'-myo-inositol) 4204.07 8460.24 4374.2 4604.97 3878.85 3619.0 4516.53 4038.38 4343.11 4114.73 2961.61 2906.45 3204.86 2915.21 3839.59 3727.75 5176.81 4798.68 3825.23 4441.11 3585.38 4831.37 4537.47 3609.84 2752.08 5260.49 4920.82 5205.85 3287.2 PIP(16:0/20:1(11Z)) 4226.96 757.64 4492.44 1774.36 1191.38 3308.85 3276.61 4689.8 3469.06 4589.41 3428.77 3543.76 3705.27 3299.42 4873.02 4479.46 3019.74 4599.54 4329.11 5340.0 4281.3 PA(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 3457.69 5388.52 4637.39 5751.84 3719.75 3788.39 7268.77 4403.92 2301.43 3144.54 3980.56 4913.91 6143.45 6682.6 3930.81 5197.0 2499.4 4333.7 4019.68 4005.0 3545.46 2785.64 3174.25 4135.98 3653.1 4143.85 5660.84 3547.88 4410.47 cyclo[Gly-Phe-Val-Phe-Pro] 4526.9 4852.7 5290.64 7025.06 5153.02 6515.54 6728.72 5654.48 4869.84 5712.01 3152.07 3223.42 2556.36 2595.94 4421.33 2108.85 2937.81 10938.28 2548.93 5257.11 8240.49 5119.06 5225.55 6269.83 6524.2 7173.1 13014.87 Luteolin-7-O-(6''-malonyl)glucoside-5-O-arabinoside 26934.15 16701.2 27783.35 11124.87 14253.02 34728.97 37292.83 9326.64 58535.12 38641.28 57202.08 80237.15 20986.24 8207.51 61432.01 8500.3 28809.76 34815.42 8134.25 27543.25 42534.93 46641.02 6860.3 74139.71 14200.61 39664.62 35934.43 37228.12 31060.57 O-Methylsakerinol A 27988.88 47836.19 12135.82 20147.93 81453.4 74430.57 69056.97 34314.27 60692.49 60910.07 103161.91 50179.97 67115.31 56199.17 60791.78 68913.45 71498.09 58339.51 76566.75 54740.76 13263.94 60583.06 60801.23 81986.19 75125.88 66894.24 71445.92 61889.86 64669.22 beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose 12377.91 13542.68 9007.09 2780.69 2130.7 13993.56 13839.15 12169.77 18396.51 18227.62 16903.27 27467.65 13748.65 8590.18 16654.7 12240.45 9737.95 11278.49 5739.17 11941.75 15578.45 15356.9 10064.77 18154.2 11378.49 13243.49 12887.69 12795.93 12559.0 PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 2671.73 8055.67 2607.82 3550.61 3040.17 3431.47 2915.87 2094.61 3526.17 3081.85 5233.63 2889.57 3428.23 2739.76 3005.36 2874.31 3134.75 3255.67 2720.45 3473.05 3113.29 2837.93 3677.74 3791.86 3012.77 3434.1 4197.25 3322.06 3075.73 2-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 3666.42 4408.31 4254.3 4235.48 3919.98 4145.33 3770.39 3477.7 3145.56 3334.0 2483.86 2642.96 2617.13 2731.95 2566.07 2832.47 2757.57 2856.04 2426.41 2561.05 2015.93 2644.35 2559.37 2346.7 2208.98 3575.19 3908.52 4527.76 4337.76 (1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 938.17 2433.05 1427.52 656.14 3320.67 3064.4 956.21 3338.74 2250.12 5858.27 2267.57 4546.41 1053.91 3797.29 2901.1 1323.69 3202.34 1386.67 1549.55 1918.05 1917.71 3044.68 3563.25 1397.22 3470.57 2886.36 2995.29 3386.21 MG(0:0/13:0/0:0) 3382.51 4768.52 3673.9 3520.79 3554.44 4132.23 3387.83 3207.18 2912.0 2940.08 2864.48 2601.08 2843.13 3019.74 2918.01 3698.11 2450.6 3160.56 2728.66 2307.07 2766.06 2619.51 2452.23 2752.4 2763.57 2459.7 2876.72 2949.3 2601.36 [(1R)-1-Vinylhexyl]beta-D-glucopyranoside 663.25 3979.51 1625.17 1440.17 1619.56 1961.66 2301.05 2421.82 1468.76 2331.82 1658.03 1683.57 1537.68 1441.64 818.8 2236.82 2055.9 1205.73 757.81 2453.48 1583.7 1268.32 872.56 1196.09 2609.12 1397.28 2081.66 1585.05 Dictamnoside N 5590.98 11572.92 5417.15 6060.48 5809.49 5453.55 5931.71 5685.87 6227.93 5477.13 7313.17 5568.35 5823.59 6961.01 4919.66 7008.75 5442.03 6801.21 4277.49 6060.66 6801.03 5626.0 6266.33 4823.53 5280.85 5504.43 4583.42 5998.03 5036.74 1-(tetrahydro-2H-thiopyran-4-yl)piperazine 9641.82 14352.18 9769.44 9429.14 9490.56 9496.65 8509.42 7983.25 9143.28 8606.81 9738.35 9121.98 9604.67 8105.02 9036.57 7934.68 8665.31 9153.76 8541.97 9109.46 9717.72 5032.42 8212.1 9220.66 8489.89 9296.49 10608.22 7248.26 8950.03 3-Isopropenylpimelyl-CoA 25835.04 6543.37 26048.59 15477.52 10936.22 18384.55 26491.12 22996.39 18338.19 56798.24 27380.15 39480.8 38820.49 18142.32 29844.33 4318.87 32378.26 33213.69 13658.29 23040.05 35465.31 33185.83 18062.15 14909.73 13091.72 27194.54 27395.81 30050.22 34143.35 PC(15:0/18:3(6Z,9Z,12Z)) 634.9 13946.26 801.02 2151.44 8649.79 9093.77 10991.69 16230.51 12495.93 12177.66 15216.49 18082.84 14806.55 17604.22 14099.0 12580.22 10793.11 17841.72 13633.42 9705.25 15151.4 16431.61 17929.97 15831.05 11761.95 13052.52 15613.03 12621.58 Tetrahydrobungeanool 7872.57 4170.96 2786.61 5801.62 5310.55 18123.95 4760.45 8034.31 3501.04 6992.07 3257.7 1340.45 4815.61 4066.84 3392.85 14282.02 13402.36 14553.96 12687.24 7229.78 20612.14 6477.2 16718.21 19786.82 10267.42 1771.94 2953.05 2207.2 2524.05 Oleoyl ethylamide 10953.26 12442.33 8014.95 9215.15 10539.47 6340.37 5499.79 5256.04 7779.85 8124.9 5834.71 11184.27 4770.29 26189.52 17520.93 12655.87 13528.43 11809.76 8938.09 15327.09 13036.56 12421.2 10014.55 9461.59 3-Hydroxymonoethylglycinexylidide 2094.22 5163.73 3147.18 1535.48 2269.6 1960.68 1382.58 2259.66 2084.88 2802.25 2591.59 3718.28 2200.97 3042.4 2656.01 667.91 3107.96 2405.58 2093.2 2769.26 3578.08 1587.34 1148.47 1980.71 2026.48 2356.58 2171.04 2659.68 1932.43 71-Hydroxychlorophyll a 3583.05 2493.0 4577.72 4532.72 3991.86 3509.73 1588.49 5814.67 3236.88 2061.68 1743.45 4550.39 2434.44 5193.25 1527.94 4451.66 2436.28 4099.67 1950.86 2114.85 3541.58 1631.03 2442.58 2479.11 7051.91 3424.6 5080.58 4347.05 3147.93 (1S)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol 1357.41 1949.57 1422.21 1942.35 933.37 915.04 787.43 1057.9 1301.82 733.13 571.23 694.76 934.4 1679.24 546.08 962.95 532.37 3005.68 1540.6 625.38 1477.04 700.75 1457.86 5765.27 1039.17 1498.12 1788.27 1481.23 Dihydroaspyrone 22525.21 18610.75 13854.85 8783.6 11738.69 17013.51 23644.74 20429.63 6488.7 10911.24 16109.43 19574.11 19330.24 21913.69 6287.86 19780.86 8612.86 20722.79 26945.26 8647.13 17141.63 17749.78 13059.79 16898.04 15708.76 16589.97 16883.32 16322.01 17741.01 Peramivir trihydrate 5306.18 965.83 2214.36 2184.08 3738.09 4761.59 4769.63 4391.15 5523.29 5905.25 6580.86 6590.07 5672.28 5237.93 4778.14 5471.05 5626.53 4132.25 5609.3 6021.77 6083.03 5943.8 4698.74 4840.94 5296.69 4435.13 Novamethymycin(1+) 4731.52 7641.63 4375.69 4191.28 4648.39 4746.25 4029.49 4325.92 3805.46 4258.76 4151.05 4396.25 4663.63 4488.46 3657.96 3867.95 4732.38 4280.11 4341.89 4356.52 4298.38 4400.65 4583.69 4378.66 3636.5 4918.91 4622.12 4334.77 3874.42 (±)19(20)-EpDPE(A) 5328.28 6785.08 7321.35 7349.68 25303.67 4505.07 6980.37 9189.35 6742.78 5825.12 7676.65 6974.28 12394.76 5900.98 8604.65 12898.6 6286.29 5951.86 5807.07 9365.94 6286.97 4730.26 8155.32 5772.62 8106.56 7356.31 5654.17 7824.82 7696.22 3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde 5909.61 7147.91 7197.07 15730.92 7377.86 8677.49 9817.33 5493.05 4985.46 13961.32 20314.86 6122.09 7451.17 5112.72 11747.51 11096.42 12032.73 12203.53 5093.25 7170.45 4859.51 7442.22 15046.44 15559.39 5343.96 5606.93 17076.57 16126.94 17071.71 1-(1Z-hexadecenyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine 1020.75 1077.37 1376.29 2710.75 2582.71 3014.07 2316.48 2141.05 3007.33 3428.73 4537.14 5588.79 1521.24 1971.59 2053.26 2369.73 3828.52 2317.62 2199.17 3205.77 2872.92 2815.13 2510.56 3015.65 2242.54 PE(14:1(9Z)/20:3(8Z,11Z,14Z)) 534.22 631.05 822.06 1280.67 1481.12 1315.87 1193.26 1260.85 1191.71 1069.75 1124.45 818.67 1589.05 1020.46 1203.23 1122.41 1262.42 1477.1 1679.26 700.3 606.44 [(1R,2R,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate 5216.32 3088.85 3869.35 2178.66 3256.53 4163.98 4704.21 2915.18 3213.67 903.38 3608.8 3598.53 2844.87 3751.99 3676.47 3106.22 3048.29 8767.21 4463.78 3976.18 3713.47 1798.31 3855.86 4129.37 2302.94 3498.72 3610.73 2564.8 1415.64 (24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate 6131.03 10021.82 9900.32 8491.25 7071.74 6375.67 3303.58 7861.8 9103.79 1416.95 2775.39 8571.73 2913.73 5848.1 3554.06 19277.39 6877.15 3324.11 7537.54 3171.62 7191.93 8911.74 18969.83 6903.49 7197.44 6990.8 8431.88 Lys-His-Lys 3146.33 5485.76 3050.32 3431.29 2388.42 2960.21 3453.38 4005.1 2957.89 2477.46 2277.01 3304.27 3139.07 3177.58 2956.69 3145.2 2881.39 2644.71 3607.57 3431.1 3104.02 3455.85 2916.47 3848.25 2378.97 3224.43 3521.16 3483.46 3262.77 16-Feruloyloxypalmitate 3697.66 3830.08 4047.16 3747.13 3290.39 2462.41 1044.83 2691.52 3269.64 1369.52 3442.96 1097.77 3120.67 1164.07 6546.95 2974.6 4112.26 724.38 2039.01 3986.2 5068.28 2371.87 3735.46 3486.34 2748.78 LysoPC(18:4(6Z,9Z,12Z,15Z)) 2733.85 2775.88 2909.23 3013.96 2632.17 2346.19 2813.34 2808.89 1642.75 1773.87 2197.65 2747.96 2934.47 2727.86 2766.52 2282.97 2137.98 2384.7 1959.03 1992.35 2252.92 1994.47 2539.78 2041.6 1631.8 2313.85 3015.93 2488.66 1825.08 2-Butyne-1,4-diol 2834.98 1909.87 2801.61 2854.96 2365.18 2528.12 2638.79 2402.23 2679.81 2739.51 2972.09 2359.92 2236.44 2540.9 1477.89 2418.54 2961.03 3290.65 2832.52 3081.04 3106.55 2782.44 2591.34 2382.44 3067.1 2715.13 2983.72 2989.59 2844.59 Prostaglandin E2-biotine 4898.71 18055.72 4484.95 4649.09 4668.52 4740.86 4405.06 2666.47 3125.94 3681.69 4513.33 4716.54 3710.88 4402.63 4939.94 3850.95 3697.71 5162.8 3461.58 4630.78 4776.45 4682.19 4996.25 5442.56 4981.62 4646.54 5311.63 4117.65 3955.91 (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4363.41 2488.46 3420.73 3444.85 4369.4 2279.88 4872.19 4614.39 5105.81 3666.73 3435.04 3601.88 5231.2 5154.08 5188.42 3370.35 3640.1 1728.43 6135.24 4567.84 6141.42 3719.38 5347.29 3402.88 4490.87 4581.1 4410.95 4546.64 3957.1 4beta,5alpha,10beta-Trihydroxycadinane 8485.03 6103.44 7937.12 7376.07 6604.14 5797.85 7832.68 7342.02 5522.27 6952.41 4848.65 4980.09 4721.35 4604.33 4876.81 6201.9 5292.44 3379.64 3742.86 4909.87 4133.71 3931.94 5033.37 4149.35 2797.69 3707.54 3132.59 3353.42 4343.33 4-hydroxy-2-methyl-3-oxo-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-1-oxide 4263.94 4634.5 3636.04 4312.98 4679.77 4716.37 4428.76 4103.65 4271.86 6223.32 3642.21 6982.04 5279.55 6383.56 5690.97 2596.23 6906.35 4878.97 7177.53 9135.29 5410.01 9143.42 8378.34 7906.07 6973.9 8608.87 2825.29 1689.44 4595.15 erythromycin A(1+) 6966.86 16844.51 4842.64 6966.65 7899.93 7159.95 7237.73 7252.68 7224.6 7121.35 9023.22 6992.15 7226.09 6754.64 6821.19 8153.84 6721.17 6766.97 7022.58 6764.56 7057.09 6960.73 6618.17 6182.38 7122.63 7551.45 7025.08 6794.51 7083.93 Dipalmitoylethylphosphocholine 731.06 8791.56 618.33 905.24 2981.02 1893.17 4342.54 3562.01 4462.26 3866.02 9288.13 7516.87 7950.61 5401.39 4245.39 4307.72 3499.41 3432.99 7341.88 6832.62 1355.9 8489.09 9744.23 9225.76 2024.42 7875.64 9799.19 9526.97 8610.45 3'-O-beta-Glucopyranosyl-stilbericoside 3909.06 3886.62 3457.5 4135.95 2174.25 645.75 1979.38 791.1 2164.19 1156.14 1844.8 2184.82 2904.41 3772.21 761.7 2193.45 4490.17 2558.42 1668.77 656.66 541.46 2646.04 2710.84 3581.26 3585.92 Arginylasparagylarginine 1949.97 2475.07 1280.89 1793.44 1762.29 649.73 1071.54 2734.37 1736.37 1043.29 1439.24 1579.44 2160.11 3061.7 1015.23 1555.93 1166.15 3400.83 1728.24 1064.18 1251.87 2189.32 2237.49 2939.44 4074.59 2839.15 2988.49 2622.79 2809.9 beta-Lipotropin (88-91) 900.82 4615.1 1162.64 1094.84 800.21 562.3 977.35 2906.81 1691.25 1755.72 2259.99 2372.3 2727.95 3127.48 2289.99 2157.67 2109.83 3241.55 3088.94 1947.97 2959.22 1471.81 2979.6 3081.35 4576.34 3493.58 3619.05 3508.81 2883.09 Aquifoliunine EII 2925.77 2187.36 4610.97 3519.88 4075.1 4037.03 4282.69 3160.37 3842.88 715.9 1034.8 1424.04 1157.66 556.63 2679.01 6986.11 1081.9 2806.48 5064.93 3167.76 2258.98 3850.79 4478.11 4637.25 8360.51 6'''-Oxoneomycin C 3979.88 6010.35 3921.2 3972.09 3795.8 3203.19 2318.21 4321.8 2387.83 2049.14 3260.39 3536.87 3995.02 3273.78 2381.47 3050.0 2596.1 2971.99 3676.0 2749.05 4177.56 2263.69 3432.23 1820.25 2814.8 2980.96 3030.15 2558.01 2862.15 Philanthotoxin-74 5185.77 7668.12 5430.66 4548.04 5039.91 5015.1 4874.66 5286.59 5003.95 4767.32 3455.31 4414.69 4502.73 4065.08 4016.39 5167.52 4013.79 3980.36 3989.76 3843.4 4204.03 3780.62 3952.64 4073.95 3714.41 3468.13 3216.9 3421.55 4095.49 (5,6-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid 1533.88 1578.56 1713.46 1803.68 1233.77 1714.04 1333.1 1244.69 1385.89 1351.72 2694.82 2110.93 1064.17 1710.14 1692.06 862.84 3964.73 1682.72 2798.66 1624.89 2461.46 1948.63 2093.3 2681.39 2683.09 2778.27 2512.66 [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-bis(sulfanylidene)butoxy]-hydroxyphosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate 6808.13 8414.89 11552.3 8554.46 13072.96 4577.32 9444.45 15056.23 4158.57 4554.81 4522.4 11149.52 4901.7 14635.98 3984.65 5316.28 7353.59 6479.07 15239.35 6949.07 8268.07 10343.85 6729.64 7099.71 11069.96 7319.0 7846.15 8415.18 8323.93 Phosphatidylinositol-3,4,5-trisphosphate 24894.1 25278.21 26135.51 24158.63 26869.23 15233.72 24204.7 19789.46 15884.58 23590.82 17072.44 21903.18 17034.92 27598.81 18023.53 20450.84 22692.77 25100.61 20305.08 14205.28 16728.69 15932.85 19444.37 17833.51 16682.93 16251.24 16992.2 14732.37 15121.45 (2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]icosanamide 10861.31 2913.07 949.45 1264.82 731.75 2635.14 9158.71 9542.82 8701.25 5115.14 9167.9 9239.5 9654.12 9406.19 10340.12 9484.57 8899.3 9691.51 8892.63 4100.77 8379.18 9208.66 10616.39 9126.24 9508.98 PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2514.78 6452.48 2833.62 1981.14 1313.73 3487.59 3277.31 3718.39 1834.61 1955.08 14387.47 2325.34 3312.97 2237.72 2395.55 6679.85 2917.89 3740.37 2940.96 2040.53 2711.72 2998.02 2635.47 3475.91 4337.25 4968.25 887.8 5751.32 983.48 N'-monoacetylchitobiose-6'-phosphate 7638.02 9507.27 9206.51 9291.02 8489.44 8289.84 8561.48 7409.04 6776.16 7017.51 6041.24 5831.59 5544.26 5459.86 5284.09 6242.27 6010.21 5888.53 5401.86 5683.83 4793.38 5465.91 4983.82 5047.35 5326.47 7372.22 8778.28 9007.07 9598.56 1-(3-Methoxy-4-hydroxyphenyl)-4-undecene-3-one 2302.46 3132.9 2311.7 512.7 2343.57 3492.52 2711.69 2269.35 1495.9 2084.27 1805.37 2528.9 803.99 2580.69 3793.83 3333.41 2875.07 2640.98 2228.35 3350.96 2765.49 2891.09 1418.62 1056.1 1893.87 2550.04 2031.57 5beta-Cholestane-3alpha,7alpha,24,26-tetrol 14329.6 6461.35 14843.53 6571.23 8407.47 7146.46 7721.55 4295.02 5211.43 4873.83 3973.65 3831.21 5863.86 8367.47 6670.93 5216.99 9741.6 11794.94 6187.08 8575.54 6692.52 7253.06 7442.97 8871.56 6061.07 13214.88 14703.37 13112.78 11920.84 1-(11Z-eicosenoyl)-glycero-3-phosphate 30526.61 4720.91 10619.24 20489.29 23197.05 19088.73 12340.87 14165.59 16220.22 14093.65 12119.82 3147.88 2842.31 7578.97 11100.93 1666.39 2284.61 12047.64 34002.4 6574.89 9401.16 9099.63 4126.29 13111.59 23339.87 15270.58 12850.03 13467.49 3392.75 Artoindonesianin X 2233.0 4117.79 2582.84 2379.9 1709.02 2173.67 2509.99 3347.08 2207.34 2131.31 2803.07 3439.7 2623.21 3541.63 2242.58 3785.95 2536.32 2967.35 1986.16 2440.76 2873.88 2152.95 4459.98 1846.03 1950.96 2730.54 2737.38 2961.17 3248.79 6-{[(1R,16S)-5,7-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 2142.07 5547.91 2577.65 1793.96 2284.59 2330.89 2745.2 1972.0 2027.6 1175.82 1415.59 2414.63 1554.71 1535.24 2477.5 3552.82 1634.46 2841.07 2399.14 1892.94 1224.2 2257.7 1864.1 1467.68 1860.81 2434.82 1664.42 2433.93 926.54 Starch acetate 7499.14 6457.53 6754.68 7465.86 7257.69 5586.14 6178.47 7005.79 6597.61 6588.66 6439.99 6856.28 6883.25 7913.64 6565.62 5639.2 6209.36 8038.96 8261.55 7122.97 7121.05 6519.27 6961.25 7187.26 7617.02 6787.73 6864.0 7015.06 5612.51 1-[(4aR,5R,7S,8aS)-5-[[(1R,2S,5R,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone 3807.47 3612.05 2504.65 1899.02 2249.41 2127.25 1761.47 1972.56 2331.54 1654.8 3003.28 1810.08 1699.97 1896.59 1473.99 2245.85 1660.34 2313.17 1641.13 3509.61 2161.44 1749.76 1684.56 2183.53 1349.51 1920.13 3406.7 1693.28 2818.9 Glycylserylarginine 1014.95 604.68 1151.96 2124.89 1163.48 1957.94 947.81 527.5 2607.63 1313.95 1124.41 1033.93 892.03 990.46 2502.01 829.12 1159.43 1586.56 1187.65 812.74 837.88 984.3 1102.51 2934.61 1298.93 1700.55 1722.76 Carnitine C13:1 6630.82 6524.93 6029.66 5835.08 3819.11 8893.47 6844.84 3304.05 4375.74 5350.57 7296.58 3157.34 5062.95 4601.08 7781.73 4890.28 4521.29 5284.11 6221.57 7730.13 6858.19 6893.02 4624.63 6879.88 4285.0 3293.12 5468.52 4231.15 5146.4 Poly-g-D-glutamate 2916.97 2587.5 2589.15 2141.06 2150.18 3040.12 4113.42 1531.45 1408.49 2223.53 3731.35 3323.12 1840.41 2776.37 3222.08 2042.78 1928.82 3093.37 3196.56 2780.97 2271.87 2625.22 2638.47 1576.63 1875.09 1976.46 2548.74 1951.62 2752.55 Hebevinoside I 5316.11 552.18 862.54 1036.78 894.94 1655.66 5025.36 2046.62 1744.47 1553.58 2422.14 575.48 2607.63 2582.38 2354.56 2705.11 1643.55 1909.6 3192.04 3328.01 2949.69 3993.05 4254.91 4900.45 3427.07 Histidyltryptophylarginine 2658.3 2185.65 1719.37 2214.67 3249.5 3031.79 3365.63 3339.66 1611.6 2948.48 2348.23 3427.97 2558.4 2744.98 2510.86 1982.9 1956.73 2446.41 2570.05 2651.74 2382.18 2368.12 3337.6 2294.96 1109.07 2328.29 2270.36 2948.86 2619.69 Methymycin(1+) 4592.7 11372.49 4463.57 4689.97 4129.96 4602.83 4206.56 4583.95 4851.21 4700.85 5878.27 4416.58 4398.56 4266.79 4534.84 6054.74 4854.53 4733.17 4288.0 4197.69 4715.2 4388.83 4511.24 4808.15 4670.76 4276.4 4446.76 4496.16 4189.42 Narbomycin(1+) 2149.76 2650.28 1348.92 2425.11 1961.32 2939.31 1525.83 2010.87 2879.21 1437.0 1110.73 2521.07 2202.04 1926.22 2647.99 1644.83 1505.78 2253.15 1402.52 1754.81 2031.26 2473.9 1208.75 2883.32 2334.84 1820.87 2352.72 1876.78 2193.76 1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine 4814.29 3873.22 3564.6 2244.45 2993.17 2686.04 907.01 2800.62 2692.82 2001.28 816.86 1744.74 861.1 2890.58 2073.0 1709.05 2571.59 3914.1 2238.96 3064.8 4-Hydroxy-3-all-trans-heptaprenylbenzoate 4714.17 554.03 3406.58 2705.11 3345.95 3360.79 2901.33 1534.72 3950.76 4040.02 3991.88 3132.14 3324.77 3170.43 2025.81 2583.12 4338.57 3,8'-Biflaviolin 10391.86 10326.89 14697.36 11911.41 16721.31 6601.02 13620.49 19331.54 5892.22 6995.47 5561.46 14242.43 8049.55 17800.89 5733.81 7136.62 9577.66 10136.85 19597.15 10142.78 10591.57 13443.71 9686.75 10243.46 14733.42 10523.82 11069.05 11703.38 11634.74 CB-5083 3712.75 4864.66 2565.43 3409.58 3065.57 4679.13 4763.32 3165.71 1662.82 2580.58 3746.1 3801.18 3970.08 4108.11 2779.35 3093.62 2795.01 4285.3 3145.69 5118.73 2844.99 2765.5 2459.46 2423.85 2364.16 3434.27 3360.56 3390.81 3006.81 1-(1Z-hexadecenyl)-2-hexadecanoyl-glycero-3-phosphoethanolamine 871.92 6195.76 546.93 646.67 8295.34 7397.12 7856.21 14840.84 16944.17 504.04 11960.5 18298.93 11198.31 10500.23 7762.9 7820.16 8731.18 17110.4 11623.4 11535.67 9669.13 9152.73 7835.57 Asparaginyl-Lysine 4368.47 599.89 2365.16 1484.5 1832.1 3256.27 4118.34 3915.04 1127.89 1850.68 1873.77 4097.3 3814.84 3807.05 902.47 4391.9 1486.17 3620.34 4596.53 1302.12 3489.53 3242.64 2340.02 2584.59 2843.63 3344.05 3596.07 3197.04 3562.01 Leu-Tyr-Thr-Lys 4226.79 5327.12 4146.19 3274.38 4211.18 3889.03 2667.29 3696.25 3512.48 6276.5 2416.17 3076.25 3888.1 3253.5 3064.47 1886.01 2973.35 3391.99 2443.51 2841.42 3504.99 3927.88 2393.68 3794.36 3947.05 3274.36 4107.71 4432.25 4247.21 Ala-Arg-Gln-Ala-Leu 3937.97 3290.88 3507.08 4372.82 1310.19 4210.26 4552.29 2545.59 2712.19 4298.78 2276.0 5163.01 2779.19 3263.86 4103.33 1181.33 4467.59 4021.16 2535.19 3238.83 2716.26 3484.41 4850.35 4157.81 4525.44 3612.92 2011.3 2689.15 3532.85 Ile-Arg-Ser-Gln-Val 10364.96 5182.97 10672.67 11255.52 13139.46 10450.05 10050.23 8129.2 7048.94 9253.17 6547.49 8542.39 9600.83 12220.48 10846.13 8031.82 7182.02 7957.64 16180.91 10284.62 7536.99 9524.21 10847.19 10806.79 6600.39 7004.22 8246.89 9286.06 10210.78 Leu-Arg-Thr-Gln-Val 11682.1 16463.16 7307.83 7823.15 9462.05 7455.95 9353.2 10621.91 6397.97 8801.71 5178.63 8239.98 10614.11 10196.4 10218.23 4125.42 10327.26 11667.87 11202.2 9360.77 9190.5 10359.58 10451.77 6447.81 11281.08 10441.33 10964.85 10551.71 6188.82 Thr-Phe-Leu-Arg 7840.01 7311.83 4440.8 8477.63 9769.94 4971.1 4977.17 4652.78 3472.64 6672.27 1290.85 7680.97 7402.5 8252.82 6825.97 3580.4 7267.96 2303.56 2792.48 6861.07 6911.31 4013.46 3115.23 7184.95 4790.32 6248.17 6406.95 8082.92 6895.15 Thr-Phe-Val-Arg 6602.7 5805.18 5639.94 2602.93 5258.74 6365.45 4213.12 2857.66 4043.36 2944.76 2592.1 5929.68 5381.38 4461.67 5326.9 2437.06 5126.94 7926.97 4799.39 6018.8 4598.28 4738.74 5792.96 6144.85 5873.67 4358.88 6522.22 3576.25 3696.04 Ala-His-Val-Asp 14410.13 12872.85 10566.55 14098.85 10415.86 15033.51 11001.44 13080.5 11774.47 15389.59 12228.75 8793.62 9969.74 9571.5 8956.0 6440.48 8061.67 10067.26 9824.54 14956.45 9708.19 8606.22 15728.55 9541.7 8384.87 11102.86 12027.9 8525.16 7938.82 Lys-Leu-Arg-Val-Asp 5478.36 9889.96 5237.13 6723.28 6014.26 5574.39 5211.95 5794.72 5021.76 4910.69 4128.3 6968.84 6331.01 4753.68 5084.16 2442.75 5321.35 7690.37 8110.04 6507.39 7682.05 3621.64 5148.1 4719.78 5787.73 6289.46 5149.33 6981.4 7863.67 Phe-Ala-Arg-Gln-Lys 2507.28 3441.87 2934.56 3115.33 3023.59 1758.66 1783.21 3110.78 1909.14 2247.95 1353.87 1860.98 2088.53 3082.06 3709.38 702.11 3005.66 1922.37 1999.31 1567.73 2106.17 2552.65 2714.66 1962.89 2733.35 4262.03 2796.6 3303.71 2247.74 Thr-Lys-Ser-Lys 3496.15 6376.75 2505.99 3581.88 4361.67 4621.51 3643.29 3738.79 2655.33 2187.66 2729.6 3271.33 2316.16 2696.83 1419.5 4857.59 5094.56 3354.99 2281.83 2651.33 5633.54 2326.16 4394.9 4363.18 5236.75 3307.51 4298.23 2545.65 2334.16 Arg-Asn-Ile-Val-Ala 6538.41 7655.66 5630.71 7103.84 6406.76 7255.08 4835.76 6704.2 7079.51 3584.15 2908.58 8740.79 6424.43 7650.63 5384.98 2339.87 4718.28 10128.84 7369.06 8950.22 8207.67 6075.41 6781.13 5610.49 9422.02 6819.89 7481.73 9139.07 3263.51 Ile-Leu-Ser-Arg 5879.84 6920.25 5707.17 3136.08 5642.51 5178.29 4388.33 6292.43 4322.3 6183.4 4723.05 3887.48 4848.48 5328.4 5016.65 4057.58 5414.42 5932.39 3968.34 5500.82 5503.56 5613.72 4965.32 5193.35 5823.87 5151.63 5546.33 5432.5 4847.95 Met-Lys-Pro-Leu-Val 10615.18 15396.24 10244.24 9654.48 9949.19 8136.74 11228.24 7506.09 11212.06 8551.59 4420.17 8016.93 13586.01 10599.82 10512.61 4185.71 11044.31 5519.64 11262.3 10136.81 6861.24 11703.54 9916.61 8809.54 11452.64 8159.58 11420.21 11338.66 12777.68 Arg-Ile-Phe-Lys 14260.77 22450.71 14140.71 15164.16 15017.51 16424.63 15026.64 14802.28 14203.27 17978.14 15238.16 14131.61 15260.41 14667.14 15142.05 13185.13 15584.0 17192.65 15634.43 15520.25 15175.35 16529.19 14835.17 15330.94 14507.56 16791.68 16378.8 14482.32 15640.57 Val-His-Glu-Lys-Ala 2533.21 4294.23 2455.21 3324.87 3560.67 2583.88 3695.04 3438.59 2259.29 2251.54 2702.25 2513.0 3477.4 2455.22 2833.31 3001.69 3089.16 3626.6 3633.08 2964.02 3479.16 4045.75 3133.65 3544.38 3191.43 3568.14 3422.87 3457.19 4014.99 Ala-Ile-Gln-Arg-Thr 3804.07 3729.72 6935.41 5478.39 3657.92 2920.62 4494.68 2200.44 3978.88 1104.44 3115.96 8193.34 3459.78 3375.08 562.86 4550.82 720.94 3679.55 1589.4 2869.65 2579.24 2242.41 3909.74 1444.13 3649.79 4534.74 5534.93 2006.05 Asp-Val-Ala-Arg 2709.71 3269.82 2629.2 2715.99 2946.81 2571.96 2667.87 2844.73 2873.29 2755.08 2658.18 2514.99 2625.81 2537.2 2674.13 2483.32 2859.77 2748.65 2727.41 2576.04 2619.83 2926.11 2677.12 2718.7 2451.31 2676.05 2821.7 2212.86 2633.44 Val-Asp-Pro-Val-Asn 5187.39 5237.67 4910.8 4760.39 4696.81 4776.36 4932.69 3661.01 5147.3 4749.37 5752.39 5069.49 4131.17 3743.76 4659.27 3662.97 4158.48 4946.97 4327.08 4396.87 3714.03 4362.77 4041.2 3889.85 4003.78 4306.0 4130.3 4366.45 4316.93 Leu-His-Phe-Lys 3812.27 6417.55 4202.16 3564.58 4773.32 5494.54 4381.09 5221.48 4019.63 5068.75 3327.62 5475.62 3087.64 4781.55 2625.7 1632.02 3096.14 4079.58 3852.88 5243.47 4065.92 4388.55 5004.43 3331.7 5076.69 3073.66 5085.01 4347.05 3169.04 Leu-Gly-Asp-Val-Ile 35799.96 27109.28 43119.9 37753.83 34881.18 21337.15 15601.48 45431.11 41410.72 9676.18 8554.91 22584.21 16945.09 39750.01 11008.36 20241.2 15042.18 41868.63 25967.37 11747.27 25650.74 14771.13 19688.4 26627.82 104293.43 29890.66 29746.02 29448.52 29412.67 1,2-Dipalmitoyl-sn-glycerol 3256.88 6297.48 1354.95 2304.27 1175.85 3307.27 1657.88 1965.15 2450.56 2504.83 4581.77 3015.45 2165.79 3056.39 4582.93 4972.68 4547.27 4794.62 2771.63 6265.73 6435.76 6496.26 6512.05 5298.4 5951.11 4811.3 3446.58 3719.4 5476.33 Ile-Val-Ile-Phe-Asn 2070.63 2946.09 2263.17 2832.77 1822.11 2267.24 1592.02 1754.49 2130.9 2030.87 1078.83 1831.28 1494.23 2125.19 1651.08 1195.95 2242.87 1080.93 2579.57 1741.54 1322.56 2198.38 1794.03 1603.35 2623.75 1682.29 2660.34 4206.29 3034.77 Phe-Thr-Arg-Lys 4381.38 9301.8 3935.11 5133.99 5611.3 5347.26 4328.23 5633.91 5560.72 4485.96 3568.87 6043.61 4966.64 3985.95 3544.22 2435.06 5789.1 3565.46 4044.96 3514.62 5589.46 5298.57 2948.16 6225.03 5119.44 3110.22 4051.26 5029.77 5579.64 Ser-Lys-Phe-Leu-Lys 2857.76 23457.69 2764.18 2603.01 2633.94 2742.06 2879.61 2860.64 2688.71 2763.45 3554.04 2651.42 2571.29 3388.67 2780.42 3108.77 3103.53 2744.13 2593.42 2675.38 2863.01 2568.22 2852.13 2789.21 2864.39 2705.41 2536.22 2734.21 2794.35 Ser-Leu-Leu-Ser-Phe 2770.68 6608.29 7062.53 4701.78 4768.01 4872.37 3833.49 5228.04 7190.09 4825.62 3019.43 4662.39 7009.66 4672.06 3977.61 1443.57 5036.21 3959.25 4382.3 3848.05 4721.51 4126.16 3593.49 6094.18 4976.3 8826.99 5621.02 5306.06 15765.5 Pro-Glu-Glu-Leu-Gly 7243.07 3344.95 2829.65 3238.19 3295.92 3531.91 3323.15 8307.83 5820.35 8106.46 8067.55 3270.8 3572.06 3056.68 8484.2 2448.59 2303.57 3468.94 3830.02 3638.48 3838.3 5113.11 3196.69 6284.64 5675.58 3897.02 3429.08 2952.85 2629.19 Val-Thr-Arg-Arg 6454.6 16882.18 6389.97 6406.61 6491.05 6650.73 6581.07 6859.36 6796.39 6200.48 8095.78 6137.74 6184.03 6170.47 6286.47 7140.0 6368.26 6183.32 6110.09 6828.33 6645.73 6597.13 6237.47 6263.13 6441.23 6441.97 6226.78 6328.76 6752.94 Ala-His-Phe-Asp 3249.48 2171.14 2570.42 2417.7 2800.02 2757.65 3536.2 3498.27 2862.9 2938.45 2144.49 2424.27 2417.17 2120.62 2898.92 3021.44 1115.97 2926.78 2624.43 1997.97 2187.12 1539.23 2296.66 2200.84 2238.83 2869.93 2665.48 2946.83 2355.34 Lys-Glu-Phe-Lys 11392.91 7177.97 5283.66 1754.04 2153.84 6868.7 11427.56 10230.75 1518.31 2541.91 5636.38 8051.63 9186.89 10171.79 1537.82 9443.02 1776.93 10661.9 14864.47 1680.35 8265.04 7871.36 5064.41 7869.25 6129.95 7281.39 7756.1 7560.82 7449.07 Leu-Val-Val-Val-Asp 3394.07 4487.78 3603.6 3042.15 3562.44 3329.45 3451.3 3388.89 3416.3 2989.75 1644.11 2586.07 3654.39 3461.38 2171.36 1839.25 3150.46 3786.55 2675.24 2879.95 2533.78 3304.31 2883.09 3620.06 1904.19 3595.12 3063.41 3193.49 3649.08 Thr-His-Ile-Arg 35347.18 134026.56 22699.74 78990.96 125747.96 83374.96 71590.16 157400.24 164085.55 125925.26 25658.17 50558.5 48855.25 83552.35 10788.86 4361.99 45606.5 91834.29 24002.71 30742.55 49559.85 14235.91 116534.17 49248.96 44982.88 123902.25 44368.99 66779.36 57517.95 CAY10631 2076.42 1417.64 1638.74 1018.76 1132.82 842.66 920.34 702.11 882.48 899.6 1376.23 802.01 833.28 954.4 1201.94 1502.79 577.52 1082.29 1368.98 2086.45 1531.27 1329.0 1212.31 2586.84 2593.18 2679.32 2780.62 Ala-Asn-His-Asp 2868.41 1077.2 3786.79 1838.22 1815.13 2410.56 2619.17 1385.47 2613.07 3176.58 2164.57 2075.37 2886.68 1562.06 2120.89 1146.21 1353.09 2858.76 2312.16 2541.26 2980.4 2941.86 2266.18 998.92 2483.2 2509.55 2653.07 2701.81 2866.71 Asp-Arg-Asn-Lys 143139.11 270530.75 110336.2 227698.19 173852.63 261416.41 344510.45 199847.2 57679.1 86870.27 151160.01 269007.99 199690.58 291302.53 196888.95 144148.94 101965.2 213318.63 131691.8 211350.19 104109.23 77528.63 151401.97 71440.12 64377.55 175326.92 194670.55 175510.01 177537.71 Pro-Phe-Met-Thr-Gly 4330.18 5249.62 4270.84 3187.77 3910.82 3456.0 5163.19 3294.85 3390.01 6394.06 2381.12 3694.79 3311.2 3438.05 4077.21 2302.46 3349.97 3617.35 3959.04 3214.91 3738.81 3095.4 3889.83 3717.14 3063.76 3258.05 2963.96 2703.67 3483.0 Thr-Asn-Asp-Lys 7635.72 6853.57 9085.29 9608.08 7205.44 10043.19 9208.31 7196.63 8638.99 7355.71 3104.33 4872.74 5231.44 5491.11 3895.97 3685.74 6547.74 9529.9 5311.91 16608.72 5914.17 5740.19 10759.45 7206.41 10215.84 8257.43 9324.36 10008.87 18707.0 Val-Tyr-Pro-Glu-Leu 6407.0 6483.69 7192.95 7178.3 7595.37 8063.84 7302.48 5946.84 5968.46 6081.08 6587.51 7593.07 7194.86 6473.58 6176.94 6228.97 5337.87 6693.27 6368.12 7055.36 6124.65 5699.46 6416.15 6016.18 5035.74 6532.96 6725.82 6359.1 6583.89 Ile-Leu-Glu-Asn-Gly 1809.91 2540.03 2953.95 2963.49 1432.85 1219.91 1988.31 11483.34 1410.56 4059.16 1626.26 633.31 3036.13 2577.94 3674.68 12904.36 Pro-Asp-Thr-Gly-Ile 11700.61 6368.54 7680.99 13894.39 4308.93 12624.75 12608.84 11348.45 14383.33 7618.6 11096.28 12462.44 19264.03 13207.0 10542.85 12431.22 15198.53 19466.11 12311.54 14878.65 15715.87 14603.56 13230.02 8167.43 12199.65 12855.65 13623.89 12430.38 13330.77 Lys-Gly-Gln-Lys-Val 7157.16 17195.5 6526.55 6512.03 6694.58 6782.31 6599.05 6627.49 7024.42 6323.23 8399.89 6799.68 6785.69 6900.25 6867.48 8465.09 7082.18 7295.59 7379.39 6682.37 6663.73 7167.85 6715.93 7209.98 6883.09 6703.9 6362.91 6461.06 6671.2 JWH 015-d7 1338.76 2585.79 1244.61 1520.67 1268.27 1735.3 1267.66 1527.84 1705.06 1799.93 1651.27 1335.1 1898.96 1036.77 2276.87 1543.4 1077.51 1098.73 989.46 984.42 1539.89 1383.17 1413.84 1372.95 1608.08 1555.41 1531.8 1316.64 Neu5Ac2-6Gal1-4GlcNAcSp 22982.4 15707.61 25271.55 19247.72 24772.15 17500.2 29927.8 19678.22 13066.62 18600.6 17664.31 12457.2 33744.11 17005.38 10205.43 13391.68 16665.9 26595.45 24900.07 14455.06 33107.17 15342.05 18405.59 14651.76 14123.92 19437.94 18756.52 17960.66 20054.9 Lys-TyrMe-OH 20253.1 17862.96 32700.2 40301.97 19272.61 45692.97 28003.53 15256.21 20591.69 40979.68 61586.34 22091.22 36432.36 14921.42 79035.26 24289.65 53284.92 45444.62 21300.21 24832.24 21616.85 36187.39 27797.43 39922.49 23688.58 31511.07 31904.59 30113.45 32009.82 Phe-Glu-His-Asp 7701.3 5373.36 4458.34 16705.58 6504.46 7423.19 6095.72 2115.09 2862.31 4130.94 2523.14 3429.46 3367.18 2369.55 3921.09 1990.53 5602.64 5965.6 2709.62 4024.17 4464.14 4016.15 6277.29 6700.46 3113.25 3286.19 3456.79 3531.81 3564.76 Thr-Ser-Arg-Ile-Ile 7926.65 20892.0 7646.18 7988.75 7830.87 7903.52 8013.27 7927.53 7733.48 7575.74 10398.46 8433.68 7291.74 8037.13 7494.69 9000.87 7670.81 7782.84 8699.87 7500.02 7768.31 8034.13 7494.55 8731.76 7675.79 7369.96 7870.38 7612.4 7564.96 Ser-Pro-Ala-Ile-Asn 17907.2 17558.18 18952.06 17142.36 16938.41 15379.12 12242.32 34882.96 19036.96 9170.33 5809.21 12829.58 19002.38 29428.47 6675.52 14128.3 12490.03 19851.11 16155.87 11729.38 10130.18 12318.49 15760.43 16466.12 23435.04 16675.86 19104.94 16603.65 16333.03 His-Thr-Phe-Cys-Ala 6182.83 7317.19 7084.97 5665.63 6097.59 4349.76 4174.41 6059.96 6375.72 1146.09 2272.48 3313.42 1912.08 6458.66 1256.78 4834.8 1864.04 6747.61 3146.38 1240.34 4189.52 4366.46 3706.76 4556.76 7894.41 5695.92 2693.72 6049.31 3859.68 C11H18N2O5S2 2858.44 2232.54 2667.24 536.85 1814.23 3206.63 3345.68 1526.8 3890.4 4269.24 2183.01 5086.7 2546.98 2026.82 4317.04 608.48 2867.8 3420.85 1468.57 1515.34 3095.67 3770.85 1484.67 3504.22 3289.89 3665.76 3169.79 3097.11 3016.23 Asn-Gln-His-Arg 13354.93 17674.75 12945.57 13823.67 13180.41 16312.21 19652.76 14374.24 15295.31 14625.75 17653.69 20030.8 17829.36 16989.72 15822.94 13261.22 14173.42 15142.08 16129.42 16041.65 15509.55 15221.39 16005.4 17004.69 14568.08 16876.44 16934.2 17354.1 16567.04 [(2S)-3-dodecanoyloxy-2-hexadecanoyloxypropyl] hexadecanoate 658.28 186011.19 119463.22 183040.33 14180.72 741.41 1575.32 15918.89 34288.98 43798.61 125422.69 63154.69 (10R,11S,13R,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde 1813.55 2919.57 2490.18 1072.55 1270.11 2081.75 2007.37 2215.74 1811.71 2125.23 1413.66 1866.05 1025.77 1256.97 1504.04 1762.63 2494.03 1513.08 1629.39 975.45 2093.73 1778.55 1792.99 1772.42 1791.31 2354.92 1063.74 1325.39 1752.87 (5S,8R,9S,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 3172.07 2545.34 3120.61 2473.29 2555.98 2575.18 2746.49 2705.11 2649.79 2773.05 2657.33 3000.8 3316.19 2687.18 2733.79 2223.12 2914.8 2949.36 2678.0 2501.24 2884.36 2627.97 2557.94 2535.4 2827.65 2890.68 2889.61 2998.72 3028.24 1,3-Digamma linolenin 2806.35 8825.13 11892.03 6559.69 14624.42 8733.41 7023.18 8371.47 4153.37 43607.09 6113.06 18623.42 2463.49 43104.42 8804.84 3145.53 6173.2 7714.52 13591.77 10999.75 7619.65 1-Palmitoyl-3-docosahexaenoyl-sn-glycerol 766.17 2327.07 1580.86 2171.91 2783.06 3115.36 5452.46 4949.32 1636.16 6508.92 3910.44 2081.49 5138.3 9973.23 4942.71 3353.99 2964.61 3636.6 6602.03 3920.56 3454.35 6923.1 1-Myristoleoyl-3-eicsoatetraenoyl-sn-glycerol 7217.25 6316.18 6243.94 5884.95 6385.19 2070.51 10933.51 4831.89 2819.0 22838.13 21910.67 8166.34 2235.38 9437.74 3807.73 1443.11 4821.89 3624.05 3437.95 7452.76 9743.03 4159.37 1-Palmitoleoyl-3-docosahexaenoyl-sn-glycerol 1626.15 6249.84 3515.15 5266.93 823.34 5814.82 694.79 3486.38 4343.27 4740.67 6782.26 2395.66 7080.05 4868.4 2025.04 4910.62 7451.76 12095.01 5044.56 1271.85 5711.77 5650.97 634.06 5353.42 6056.64 5,9:6,9-Diepoxy-3-megastigmene 21067.69 13944.72 22915.82 12146.86 17255.3 13939.33 14434.15 9536.65 11907.98 10030.35 12659.73 11137.35 10332.67 17311.68 16346.33 19841.11 26888.09 34514.64 16070.68 17868.01 21261.0 19349.03 21189.15 16471.26 19053.46 32410.19 31174.87 31791.11 31493.9 1-Pentadecanoyl-2-lignoceroyl-sn-glycerol 13958.59 6158.45 30736.43 31959.55 54926.45 89051.35 63354.33 33513.4 70204.28 61634.5 72338.31 81490.09 35636.94 39105.98 34371.81 71986.47 56189.52 46834.6 62767.86 88661.98 136627.76 64980.27 46947.15 49936.01 28570.72 TG(14:0/22:1(13Z)/14:1(9Z)) 7710.97 5290.07 9187.22 6386.78 7775.67 3070.08 1956.17 10764.59 6864.79 825.15 1480.26 1419.55 8367.42 1476.54 4224.54 1471.89 8728.99 3618.95 764.67 4199.99 1189.7 2182.36 3509.86 26700.43 4629.48 3845.09 4948.26 5283.77 S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanethioate 3379.29 3493.05 3676.3 1-Vaccenoyl-2-arachidonyl-sn-glycerol 6058.86 546.07 654.18 8394.16 21029.21 22953.46 42801.15 44982.68 32236.32 34066.85 30018.74 42938.07 58233.29 39253.8 18527.04 25129.76 31505.51 42377.48 21993.25 33157.52 42658.92 47587.85 60421.8 33105.63 22803.28 33224.06 29295.8 TG(10:0/15:0/i-14:0) 7862.2 45422.65 5859.69 6933.69 12677.36 14505.4 23960.6 26157.44 17903.98 19792.43 47875.76 34241.12 33855.7 31691.69 21893.22 14197.86 24319.21 27165.46 29835.9 31894.89 25828.37 39121.58 41766.97 37491.33 23486.86 33575.02 42928.11 43605.98 43068.1 ENINPLSK/2_0 2846.1 3121.31 1057.59 1456.2 2556.74 3253.37 3358.8 2904.16 4899.55 4919.31 6566.97 2489.37 4439.22 3453.01 5595.93 1286.12 4084.9 2226.44 3623.29 3310.62 3173.04 3680.04 3589.56 3325.17 3328.29 3948.17 3249.94 749.78 [Met5,Arg6] Enkephalin-Arg 4406.59 4362.14 4992.67 4261.11 5054.31 2913.72 3876.91 4926.93 3123.4 3300.96 2715.43 4719.17 3387.52 6184.49 2625.38 3215.79 4119.6 3707.49 5563.07 4694.67 5097.74 4916.54 4359.23 4039.99 5199.66 4021.28 4675.73 4511.11 4639.62 PS(DiMe(11,3)/DiMe(9,3)) 9081.84 2560.7 5510.11 5909.78 4596.13 9869.72 5019.78 6579.04 8649.95 8799.42 6808.39 9480.82 7996.36 2587.64 6375.14 7047.84 11541.08 8725.86 7008.58 8389.26 8495.51 10427.22 9115.97 6175.86 5029.15 8803.42 7655.32 Thr-Ile-Asp-Phe-Glu 4909.6 4520.69 7097.96 7656.31 5826.15 8299.03 7435.9 6724.87 6466.09 6749.79 953.8 3351.44 5352.8 2807.2 3231.48 567.08 5170.47 3242.47 3072.11 15765.61 3423.67 5976.22 9439.44 5585.94 6358.57 7542.91 6850.03 7617.2 17495.94 TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) 11177.78 11391.57 938.26 762.41 2605.75 3143.11 5309.26 5743.84 7078.64 8252.81 9219.63 8518.27 9452.75 7108.22 8147.08 7641.67 8522.68 NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside 2397.11 3278.34 3090.77 D-Mannitol 1-hexadecanoate 2482.6 4572.65 2703.39 2792.23 2790.44 2786.86 2511.68 2440.43 2429.76 2523.32 3009.35 2429.6 2520.53 2544.22 2517.09 2986.39 2145.49 2558.21 2457.53 2288.81 2656.74 2481.85 2219.76 2329.48 2438.76 2312.07 2322.34 2308.4 2239.04 AFN911 2992.39 2713.54 3196.53 657.96 2180.18 3366.4 3168.47 1769.55 1125.95 2721.81 3112.6 4487.57 1737.51 2670.34 3007.84 2352.83 718.36 1008.12 2803.69 3641.98 2592.96 4198.66 750.4 1775.68 2501.63 3357.55 3015.5 1620.91 (2e,4e,8z)-2'-hydroxy-N-isobutyl-2,4,8-tetradecatrienamide 8500.39 6541.83 3074.02 5088.78 2786.82 15599.35 4877.63 7790.19 3186.08 5319.16 5237.9 3917.24 5620.44 2209.66 15107.26 14699.8 16450.35 10958.97 5077.51 22273.81 8990.67 15980.34 19865.42 16491.31 2541.64 2669.65 2321.03 1471.17 (2R)-3-{(2R)-4-[{(1S,2R,4aS,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoic acid 3467.8 2240.48 3160.85 2642.79 2818.7 2278.91 2198.39 1855.92 3043.42 2111.66 3182.22 2046.94 2836.91 2093.27 2687.84 1985.27 2642.79 1481.58 2936.95 3044.4 2279.73 3335.55 2855.04 3360.44 1928.26 2730.16 2779.79 1891.18 2796.71 Arg-Gln-Ser-Lys 3934.85 2627.47 1720.54 3339.21 3111.61 2961.92 3724.83 3222.55 3200.03 2881.3 2022.35 3795.26 3010.48 2470.46 3346.25 2849.66 3094.02 3124.74 2858.28 2824.15 3298.16 3065.8 2787.88 2795.63 2790.92 3164.21 4211.19 3388.66 2583.86 (1S,2S,6R,7S,9R,10R,11R)-1,4,4-trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diol 3795.87 2443.47 4155.63 4525.53 4184.53 3092.27 3317.55 3893.48 4172.92 2029.73 3426.17 4064.9 3379.08 2048.67 2757.54 1938.05 3689.8 5894.77 3966.5 3310.98 4107.22 4199.72 3659.91 4879.41 3668.61 3923.43 4213.84 4095.37 1191.31 TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 92258.46 32802.78 84402.33 74324.79 68225.49 69337.92 70462.69 46877.04 49621.45 55646.05 37596.54 46088.85 51502.22 42694.2 40601.97 38131.14 45098.09 43083.39 45535.64 45484.72 45533.27 45685.47 43763.77 40317.29 28444.35 20241.69 44641.25 44647.83 40687.79 Ala-Pro-Ala-Tyr-Ser 3322.47 4119.5 3375.31 3572.97 2834.44 3232.03 2878.18 3508.39 3378.26 4297.27 4257.58 4457.03 1057.46 3381.98 4112.05 4148.72 3573.9 4057.11 2868.24 3775.31 3481.38 3697.33 3485.42 3850.86 3263.24 3600.92 4012.72 3712.29 3762.48 Unii-WZ5U45K71V 2412.24 2462.58 1003.91 1782.88 3019.32 5388.13 1643.78 1536.77 3560.0 1931.83 2443.74 957.11 1733.22 2466.01 3187.35 3034.77 3723.66 4113.64 4362.27 4444.07 3753.14 2852.76 3729.78 1579.09 3817.32 4027.11 3783.05 4437.0 TG(16:0/24:1(15Z)/o-18:0) 3454.12 2508.36 1577.38 2498.31 3212.5 4157.27 2299.83 3368.52 3290.36 3918.51 3374.25 1597.18 4486.19 3650.03 3425.68 3367.82 2791.39 3539.68 2730.98 4746.22 3026.88 4745.18 4212.18 2861.58 3829.57 2858.66 5858.09 3454.46 2559.12 Locustachykinin I 2650.14 3631.26 14848.15 3849.99 16332.38 13164.58 13749.14 9800.14 4915.73 13066.84 539.25 12364.01 2927.63 5577.01 7293.35 4212.14 4038.77 4992.17 16892.89 1126.31 8690.12 7728.32 3587.33 4423.99 3992.3 6802.71 6982.92 11895.05 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) 3371.53 758.88 1249.09 1574.76 1398.83 1445.97 2323.05 3857.71 3280.68 2800.55 4704.59 2866.53 1678.9 2946.82 3361.5 2822.27 2390.35 3242.79 3832.63 5086.41 3643.43 4587.55 5454.93 5334.33 5032.01 3929.64 Arg-Val-Phe-Asp-Lys 14832.85 14228.2 13938.47 15670.96 14457.09 15982.22 16214.95 14164.0 11958.38 12667.82 14949.04 15741.52 14906.0 14779.73 13523.65 11388.25 12629.77 14269.84 12371.01 16402.75 12140.9 11149.72 12947.92 11497.12 11364.1 13920.62 14405.16 13836.05 13960.78 Leu-Tyr-Val-Lys 4005.8 4582.54 2971.63 4351.98 3310.04 3204.8 3980.95 3500.64 3524.08 3277.77 2777.96 2642.52 3152.45 3425.31 2958.3 1952.63 3181.7 2797.13 3561.86 3830.25 1024.73 3533.43 3650.84 3177.2 3221.13 3888.11 3703.8 2804.85 3169.64 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CAS PubChem CID HMDB cpd_ID Tryptamine 61-54-1 1150 HMDB0000303 C00398 L-Phenylalanine 63-91-2 6140 HMDB0000159 C00079 Diisobutyl phthalate 84-69-5 6782 HMDB0013835 C15205 7,3',4'-Trihydroxyflavone 2150-11-0 | 104666-14-0 5322065 HMDB0133311 - L-Lysine 56-87-1 5962 HMDB0000182 C00047 Tyramine 51-67-2 5610 HMDB0000306 C00483 L-Leucine 61-90-5 6106 HMDB0000687 C00123 Sphingosine 123-78-4 5280335 HMDB0000252 C00319 L-Tryptophan 73-22-3 6305 HMDB0000929 C00078 (R)-Equol 221054-79-1 6950272 - - Methylparaben 99-76-3 7456 HMDB0032572 - Uracil 66-22-8 1174 HMDB0000300 C00106 Methionine 63-68-3 6137 HMDB0000696 C00073 Azelaic acid 123-99-9 2266 HMDB0000784 C08261 Sodium ferulate 24276-84-4 | 151109-65-8 23669636 - - N-Acetyl-L-phenylalanine 2018-61-3 74839 HMDB0000512 C03519 Biotin 58-85-5 171548 HMDB0000030 C00120 Bis-ferulamidobutane 42369-86-8 5321825 HMDB0033468 - LPE(16:0/0:0) 53862-35-4 9547069 HMDB0011503 C04438 N,N-Bis(2-hydroxyethyl)dodecanamide 120-40-1 8430 HMDB0032358 C06179 7-Methylguanine 578-76-7 135398679 HMDB0000897 C02242 | C75717 MG(16:0/0:0/0:0) 32899-41-5 3084463 HMDB0011564 C00641 2'-Deoxyadenosine 958-09-8 13730 HMDB0000101 C00559 2-Mercaptobenzothiazole 149-30-4 | 118090-09-8 | 155-04-4 | 57948-09-1 | 27157-85-3 697993 HMDB0030524 - Palmitic amide 629-54-9 69421 HMDB0012273 - Monosodium glutamate 142-47-2 | 16177-21-2 | 6106-04-3 23672308 - - Urocanic acid 3465-72-3 736715 HMDB0000301 C00785 1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one 21255-69-6 89472 HMDB0004629 - Hyodeoxycholic acid 83-49-8 9963687 HMDB0000733 - Glycyl-L-leucine 869-19-2 92843 HMDB0000759 C02155 Riboflavin 83-88-5 493570 HMDB0000244 C00255 Monoisobutyl phthalate 30833-53-5 92272 HMDB0002056 - 2'-Deoxyuridine 951-78-0 13712 HMDB0000012 C00526 δ-Valerolactam 675-20-7 12665 HMDB0011749 - Oxindole 59-48-3 321710 HMDB0061918 C12312 2,8-Quinolinediol 15450-76-7 97250 HMDB0240311 C06342 Thiamine 70-16-6 1130 HMDB0000235 C00378 Guanosine 118-00-3 | 26578-09-6 | 197227-95-5 | 103654-69-9 | 103654-70-2 | 146849-94-7 | 197227-93-3 | 202933-46-8 | 244769-87-7 | 247226-75-1 | 250586-91-5 | 250586-97-1 | 30747-23-0 135398635 - C00387 Bis(2-ethylhexyl) phthalate 117-81-7 | 15495-94-0 | 8033-53-2 | 50885-87-5 | 82208-43-3 8343 - C03690 2'-Deoxyguanosine 961-07-9 | 663615-45-0 | 38559-49-8 | 116002-28-9 | 130434-96-7 | 197227-97-7 | 197227-99-9 | 244769-88-8 | 246137-64-4 135398592 - C00330 Ursocholic acid 2955-27-3 122340 HMDB0000917 C17644 Chrysophanol 481-74-3 10208 HMDB0030670 C10315 Imidazolepropionic acid 1074-59-5 70630 HMDB0002271 C20522 Maltol 118-71-8 8369 HMDB0030776 C11918 Indole-3-carboxaldehyde 487-89-8 10256 HMDB0029737 C08493 Methyl 4-hydroxycinnamate 19367-38-5 | 3943-97-3 5319562 HMDB0131168 - Choline 62-49-7 305 HMDB0000097 C00114 Allopurinol 315-30-0 | 180749-08-0 | 180749-06-8 | 73334-58-4 | 180749-09-1 | 180749-07-9 | 184789-03-5 | 291279-53-3 135401907 HMDB0014581 - LPC(16:0/0:0) 17364-16-8 460602 HMDB0010382 C00157 Threonylproline 46398-79-2 9834371 HMDB0029069 - Fulvestrant 129453-61-8 104741 - - Tyrosylleucine 17355-10-1 87071 HMDB0029109 C73328 Octadecanamide 124-26-5 31292 HMDB0034146 C13846 1-Hydroxylamino-2-phenylethane 3217-93-4 165091 HMDB0001065 - 4,6-Dihydroxyquinoline 3517-61-1 440738 HMDB0004077 C05639 Methyl linolenate 301-00-8 5319706 - - Oxypurinol 2465-59-0 | 184764-63-4 | 187486-05-1 | 187486-06-2 135398752 HMDB0000786 C07599 Pantothenic acid 79-83-4 6613 HMDB0000210 C00864 Styrene 100-42-5 7501 HMDB0034240 C19506 Alprostadil 745-65-3 5280723 HMDB0001442 C04741 N-Acetyl-D-glucosamine 7512-17-6 439174 HMDB0000215 C00140 (2S,3S)-2-amino-3-phenylbutanoic acid 25488-25-9 854352 - C20895 3-Methyladenine 5142-23-4 | 60192-57-6 135398661 HMDB0011600 C00913 Alanylproline 13485-59-1 83525 HMDB0028695 - Phytosphingosine 554-62-1 122121 HMDB0004610 C12144 His-Leu 7763-65-7 189008 HMDB0028889 C05010 11beta-PGE2 38310-90-6 5283061 HMDB0060041 - Proguanil 500-92-5 6178111 HMDB0015263 C07631 Oleamide 301-02-0 5283387 HMDB0002117 C19670 Betaxolol 63659-18-7 2369 HMDB0014341 C06849 2,6-Pyridinedicarboxylic acid 499-83-2 10367 HMDB0033161 - Leu-Gly-Phe 17608-53-6 6994674 - - Acetylcholine 51-84-3 187 HMDB0000895 C01996 LPE(18:2/0:0) 85046-18-0 52925130 HMDB0011507 C00350 Indole 120-72-9 798 HMDB0000738 C00463 Picolinic acid 98-98-6 1018 HMDB0002243 C10164 (2E)-Decenoyl-ACP 52-52-8 2901 HMDB0062225 C03969 6-Hydroxyhexanoic acid 1191-25-9 14490 HMDB0012843 C06103 Oxymatrine 16837-52-8 | 54809-74-4 114850 - - 6-Deoxyfagomine 197449-09-5 57449463 HMDB0036382 - 25-Hydroxycholesterol 2140-46-7 65094 HMDB0006247 - n-Oleoylethanolamine 111-58-0 5283454 HMDB0002088 - Nootkatone 4674-50-4 | 28834-25-5 1268142 - C17914 1-Methylguanine 938-85-2 70315 HMDB0003282 C04152 N-oleoylglycine 2601-90-3 6436908 HMDB0013631 - Malvidin 10463-84-0 159287 HMDB0003201 C08716 Diethanolamine 111-42-2 8113 HMDB0004437 C06772 Idebenone 58186-27-9 3686 - - 2-Methyl-1-pyrroline 872-32-2 70103 - C20808 Dehydrocholic acid 81-23-2 6674 - - 7alpha,12alpha-Dihydroxycholest-4-en-3-one 1254-03-1 3081958 - C17339 Cholesterol 57-88-5 5997 HMDB0000067 C00187 N-Acetyl-L-glutamic acid 1188-37-0 70914 HMDB0001138 C00624 7-Methylxanthine 552-62-5 68374 HMDB0001991 C16353 2,3-Dihydrobenzofuran 496-16-2 10329 HMDB0013815 - LPC(O-16:0/2:0) 74389-68-7 108156 HMDB0062195 C00157 Leu-Glu 16364-31-1 7009630 - - N6-Acetyl-L-lysine 692-04-6 92832 HMDB0000206 C02727 MG(18:2/0:0/0:0) 26545-74-4 5283469 HMDB0242115 C01885 Piperidine 110-89-4 8082 HMDB0034301 C01746 3-(2-Hydroxyphenyl)propanoic acid 495-78-3 873 HMDB0033752 C01198 Pregnanolone 128-20-1 31402 HMDB0062782 - Kirenol 52659-56-0 15736732 - - Theonylleucine 50299-12-2 7021827 HMDB0029065 - 3-keto Petromyzonol 359436-56-9 46782022 - - Benazepril 86541-75-5 5362124 HMDB0014682 C06843 Hexaethylene glycol 2615-15-8 17472 HMDB0061822 - Palmitoylethanolamide 544-31-0 4671 HMDB0002100 C16512 LPC(18:1/0:0) 3542-29-8 53480465 HMDB0010385 C00157 Ranitidine 82530-72-1 3001055 HMDB0001930 - 3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol 5117-19-1 78798 - - Creatine 57-00-1 586 HMDB0000064 C00300 Glycitein 40957-83-3 5317750 HMDB0005781 C14536 Trileucine 10329-75-6 82546 HMDB0094648 - LPC(14:0/0:0) 20559-16-4 460604 HMDB0010379 C00157 Trolox 56305-04-5 40634 HMDB0038804 - Gln-Phe 92327-75-8 57288566 HMDB0028804 - O-Acetyl-L-homoserine hydrochloride 250736-84-6 | 7540-67-2 45038083 - - 18-Hydroxycorticosterone 561-65-9 11222 HMDB0000319 C01124 Galantamine 357-70-0 9651 HMDB0014812 C08526 Germacrone 6902-91-6 6436348 - C16966 (±)13-HpODE 23017-93-8 6437847 HMDB0003871 C04717 Alanylphenylalanine 3061-90-3 96814 HMDB0028694 - Pyrimethamine 58-14-0 4993 HMDB0014350 C07391 Nevirapine 129618-40-2 4463 HMDB0014383 C07263 MG(18:1/0:0/0:0) 111-03-5 5283468 HMDB0011566 C01885 Venlafaxine 93413-69-5 5656 HMDB0005016 C07187 Silodosin 160970-54-7 5312125 - - 13-Docosenamide 112-84-5 5365371 HMDB0244507 - Thr-Trp 186761-42-2 71728368 HMDB0029072 - Trenbolone acetate 10161-34-9 66359 - - MG(18:0/0:0/0:0) 22610-61-3 15560610 HMDB0011131 C01885 Catharanthine 2468-21-5 5458190 - - Stevioside 57817-89-7 442089 HMDB0034945 C09189 Penciclovir 39809-25-1 135398748 HMDB0014444 C07417 5-Hydroxyindoleacetic acid 54-16-0 1826 HMDB0000763 C05635 Praziquantel 55268-74-1 4891 HMDB0015191 C07367 Euscaphic acid 53155-25-2 471426 HMDB0036651 C17890 Dihydrodaidzein 17238-05-0 176907 HMDB0005760 - Metoprolol 37350-58-6 4171 HMDB0001932 C07202 Adenine hydrochloride 2922-28-3 | 22177-51-1 76219 - - Boldine 476-70-0 10154 - C09365 5'-Deoxy-5'-(Methylthio) Adenosine 2457-80-9 439176 HMDB0001173 C00170 o-Tyrosine 2370-61-8 91482 HMDB0006050 - 4-Propylphenol 645-56-7 12580 HMDB0032625 C14311 11-Carbonyl-beta-acetyl-boswellic-acid 67416-61-9 11168203 HMDB0036672 - Harringtonine 26833-85-2 | 25302-09-4 276389 - - Methyl-tyrosine 19897-63-3 519723 - - L-Leucyl-L-alanine 7298-84-2 81721 HMDB0028922 - 5-Aminopentanoic acid 660-88-8 138 HMDB0003355 C00431 Butylparaben 94-26-8 7184 HMDB0032575 - Biliverdin 114-25-0 5280353 HMDB0001008 C00500 Leu-Leu-Glu 20274-83-3 484684 - - Rivastigmine 123441-03-2 77991 HMDB0015124 C11766 Moxonidine 75438-57-2 4810 HMDB0041938 C07451 prostaglandin A2 13345-50-1 5280880 HMDB0002752 C05953 Formestane 566-48-3 11273 - - Coriolic acid 73804-64-5 | 18104-45-5 5282947 HMDB0112194 - Hypotaurocyamine 1119-54-6 11062553 - C02419 3-Hydroxy-7,12-diketocholanoic acid 517-33-9 3080560 - - Stearoylethanolamide 111-57-9 27902 HMDB0013078 - N-Isovaleroylglycine 16284-60-9 546304 HMDB0000678 - Heptethylene glycol 5617-32-3 79718 HMDB0061835 - Olanzapine 132539-06-1 135398745 - - D-Nmappd 35922-06-6 10070893 - - LPC(O-18:1) 87907-66-2 24779510 - C00157 Cabergoline 81409-90-7 54746 HMDB0014393 C08187 Pyridoxal 66-72-8 1050 HMDB0001545 C00250 1-O-Hexadecyl-sn-glycero-3-phosphocholine 52691-62-0 | 97288-09-0 162126 - C00157 Berbamine 478-61-5 | 6078-17-7 275182 - C09357 Misoprostol 59122-46-2 5282381 HMDB0015064 - FFA(18:1) 112-80-1 445639 HMDB0000207 C00712 Carnosol 5957-80-2 442009 HMDB0002121 C09069 Alfuzosin 81403-80-7 2092 HMDB0014490 - Sepiapterin 17094-01-8 135398579 HMDB0000238 C00835 Microcystin-LR 101043-37-2 445434 HMDB0254706 C05371 LPC(O-18:0/0:0) 74430-89-0 3985 HMDB0011149 C00157 Trigonelline 535-83-1 5570 HMDB0000875 C01004 Inosine 58-63-9 135398641 HMDB0000195 C00294 Nizatidine 76963-41-2 3033637 HMDB0014723 C07270 Asparagine 70-47-3 6267 HMDB0000168 C00152 Desoxycortone 64-85-7 6166 HMDB0000016 C03205 7-Methoxycoumarin 531-59-9 10748 HMDB0029758 C09268 3-Methoxytyramine 554-52-9 1669 HMDB0000022 C05587 Bis(2-ethylhexyl) adipate 103-23-1 7641 HMDB0040270 C14240 Kynurenic acid 492-27-3 3845 HMDB0000715 C01717 Theophylline 58-55-9 2153 HMDB0001889 C07130 O-benzyl-L-serine 4726-96-9 | 30916-68-8 78457 - - Eplerenone 107724-20-9 443872 HMDB0014838 C12512 N-Acetylserotonin 1210-83-9 903 HMDB0001238 C00978 Salicylic acid 69-72-7 338 HMDB0001895 C00805 N8-Acetylspermidine 13431-24-8 123689 HMDB0002189 C01029 Shogaol 36700-45-5 5281794 HMDB0031463 C10494 Vindoline 2182-14-1 | 57794-53-3 260535 - - D-Pyroglutamic acid 4042-36-8 439685 HMDB0000805 C02237 Arg-Ile 62632-70-6 7009553 HMDB0028712 - Norethindrone 68-22-4 6230 HMDB0014855 C05028 Loratadine 79794-75-5 3957 HMDB0005000 C06818 Testosterone 58-22-0 6013 HMDB0000234 C00535 L-Argininosuccinic acid 2387-71-5 16950 HMDB0000052 C03406 Andrographolide 5508-58-7 5318517 - C20214 Fludarabine phosphate 75607-67-9 30751 HMDB0015206 - 1-Phenylethanol 98-85-1 7409 HMDB0032619 C07112 Cinnamaldehyde 104-55-2 637511 HMDB0003441 C00903 Leu-Gly 686-50-0 97364 HMDB0028929 - l-Alanyl-l-glutamine 39537-23-0 123935 HMDB0028685 - Solanidine 80-78-4 65727 HMDB0003236 C06543 Dihydrokavain 587-63-3 10220256 HMDB0029504 - Mepivacaine 96-88-8 4062 HMDB0015096 C07528 LPC(16:1/0:0) 76790-27-7 24779461 HMDB0010383 C00157 Procaine 59-46-1 4914 HMDB0014859 C07375 Iminodiacetic acid 142-73-4 8897 HMDB0011753 C19911 Tetrahydropalmatine 483-14-7 72301 - C02890 Gly-Val 2325-17-9 | 6491-59-4 2724807 HMDB0028854 - Zolmitriptan 139264-17-8 60857 HMDB0014460 C07218 Amitraz 33089-61-1 36324 HMDB0248337 C10995 Temozolomide 85622-93-1 5394 HMDB0014991 - Retigabine 150812-12-7 121892 - - L-Homophenylalanine 943-73-7 2724505 - C17235 Betaine 107-43-7 247 HMDB0000043 C00719 Terbinafine 91161-71-6 1549008 HMDB0014995 C08079 Val-val 3918-94-3 107475 HMDB0029140 - Arecoline 63-75-2 2230 HMDB0030353 C10129 Gly-His 2489-13-6 7023107 HMDB0028843 - Auraptene 495-02-3 1550607 HMDB0034054 - Vilazodone 163521-12-8 6918314 HMDB0015637 - Aminopterin 54-62-6 169371 HMDB0001833 - Ramipril 87333-19-5 5362129 HMDB0014324 - Phenylalanylphenylalanine 201023-39-4 65104 HMDB0013302 - Clofarabine 123318-82-1 119182 HMDB0014769 - Peimine 23496-41-5 | 107299-20-7 | 135636-54-3 131900 - - Urobilin 1856-98-0 5280819 - C05794 Anserine 584-85-0 112072 HMDB0000194 C01262 Medroxyprogesterone 520-85-4 10631 HMDB0001939 C07119 Proline betaine 471-87-4 115244 HMDB0004827 C10172 Levosimendan 141505-33-1 3033825 HMDB0015058 - Linoleylethanolamide 68171-52-8 5283446 HMDB0247196 - Polydatin 27208-80-6 5281718 HMDB0030564 C10275 Thr-leu-ile 126855-31-0 101127826 - - Risperidone 106266-06-2 5073 HMDB0005020 C06861 (-)-Arctigenin 7770-78-7 64981 HMDB0030087 C10545 Nimodipine 66085-59-4 4497 HMDB0014537 C07267 Mirtazapine 85650-52-8 | 61337-67-5 | 207516-99-2 4205 HMDB0014514 C07570 Cinoxacin 28657-80-9 2762 HMDB0014965 C08052 N-Phenylacetylphenylalanine 738-75-0 47579 HMDB0002372 - Tropate 552-63-6 10726 HMDB0062590 C01456 Dyphylline 479-18-5 3182 HMDB0014789 C07819 Cinnamoylglycine 16534-24-0 709625 HMDB0011621 - Ingenol 30220-46-3 442042 - C09112 Pentostatin 53910-25-1 439693 HMDB0014692 C02267 Pantetheine 496-65-1 439322 HMDB0003426 C00831 Etonogestrel 54048-10-1 6917715 HMDB0014439 - Droperidol 548-73-2 3168 HMDB0014593 - Aflatoxin M1 6795-23-9 | 25325-49-9 15558498 HMDB0030479 C16756 Acetaminophen 103-90-2 1983 HMDB0001859 C06804 Ornithine 3184-13-2 6262 HMDB0000214 C00077 Menadione 58-27-5 4055 HMDB0001892 C05377 Sulfamonomethoxine 1220-83-3 5332 - C71832 Bufexamac 2438-72-4 2466 - C74254 Propacetamol hydrochloride 66532-86-3 108082 - C76095 Diclazuril 101831-37-2 456389 - - Estriol 50-27-1 5756 HMDB0000153 C05141 Quetiapine 111974-69-7 5002 HMDB0005021 C07397 Sulfamethazine 57-68-1 5327 HMDB0015522 C19530 2-Methylguanosine 2140-77-4 135501934 HMDB0005862 - Gly-Pro-Leu 47066-32-0 9900499 - - Dehydroepiandrosterone 53-43-0 5881 - - Riboprine 7724-76-7 24405 - - Deoxycytidine 951-77-9 13711 HMDB0000014 C00881 Gatifloxacin 112811-59-3 5379 HMDB0015178 C07661 Salsolinol 27740-96-1 91588 HMDB0042012 C09642 Aldosterone 52-39-1 5839 HMDB0000037 C01780 Glutamylglutamine 26848-14-6 10171586 HMDB0028817 - Molsidomine 25717-80-0 5353788 - - Glycidyl oleate 5431-33-4 5354568 - C19426 Phenylbutazone 50-33-9 4781 HMDB0014950 C07440 L-Epicatechin 7295-85-4 | 17334-50-8 1203 HMDB0127721 C17590 Pro-ala 6422-36-2 6347578 - - Clindamycin 18323-44-9 | 58207-19-5 446598 HMDB0015321 C06914 Ile-Pro-Ile 90614-48-5 94701 - - Oxibendazole 20559-55-1 4622 - C73898 Psoralidin 18642-23-4 5281806 HMDB0034050 C10523 Naringenin chalcone 5071-40-9 5280960 HMDB0029631 C06561 Ebselen 60940-34-3 3194 - C75847 Raltitrexed 112887-68-0 135400182 HMDB0014438 - Oxethazaine 126-27-2 4621 - - 3-Hydroxyvalproic acid 58888-84-9 134459 HMDB0013899 C16651 FFA(18:4) 2012-14-8 5312508 HMDB0247623 C16300 Eletriptan hydrobromide 177834-92-3 656631 - - 2-Amino-5-nitrobenzophenone 1775-95-7 15681 - - Pregnanediol 80-92-2 219833 HMDB0004025 C05484 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid 331830-20-7 | 53946-49-9 459803 - - Indacaterol 312753-06-3 6918554 HMDB0015608 - Umbelliferone 93-35-6 5281426 HMDB0029865 C09315 N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide 869376-63-6 11654304 - - Progesterone 57-83-0 5994 HMDB0001830 C00410 Tenofovir 147127-20-6 464205 HMDB0014445 - Nadolol 42200-33-9 39147 HMDB0015334 - Nifuroxazide 965-52-6 5337997 - - Betulinic acid 472-15-1 64971 HMDB0030094 C08619 Carbocysteine 638-23-3 | 186537-58-6 193653 - C03727 Azobenzene-4-sulfonic acid 2484-88-0 17210 - - Dofetilide 115256-11-6 71329 HMDB0014349 C07751 Thiram 137-26-8 5455 - - Leu-Gly-Leu 19408-48-1 88047 - - Acetyl-L-carnitine 3040-38-8 | 14992-62-2 7045767 HMDB0000201 C02571 Corosolic acid 4547-24-4 6918774 - - 6-Hydroxymelatonin 2208-41-5 1864 HMDB0004081 C05643 prostaglandin E3 802-31-3 5280937 HMDB0002664 C06439 Panaxatriol 32791-84-7 73599 HMDB0038244 - Rhynchophylline 76-66-4 | 39032-61-6 5281408 - C09236 Genipin 6902-77-8 442424 HMDB0035830 C09780 3-Methylglutaric acid 626-51-7 12284 HMDB0000752 - Cytisine 485-35-8 | 115051-74-6 10235 - - 2-Phenoxyethanol 122-99-6 31236 HMDB0041607 - Metanephrine 5001-33-2 21100 HMDB0004063 C05588 Pyridoxal phosphate 54-47-7 1051 HMDB0001491 C00018 L-Homocystine 626-72-2 439579 HMDB0000676 C01817 Indole-3-carbinol 700-06-1 3712 HMDB0005785 - Prazosin 19216-56-9 4893 HMDB0014600 C07368 Sorbitol-6-phosphate 20479-58-7 152306 HMDB0005831 C01096 Ursolic acid 77-52-1 64945 HMDB0002395 C08988 Ergothioneine 497-30-3 5351619 HMDB0003045 C05570 PC(12:0/12:0) 18194-25-7 | 127641-86-5 16219892 - C00157 4-Methylbenzoic acid 99-94-5 7470 HMDB0029635 C01454 Dimetridazole 551-92-8 3090 - - Phenytoin 57-41-0 1775 HMDB0014397 C07443 Vincamine 1617-90-9 15376 - C09251 Carnitine C18:1 38677-66-6 46907933 HMDB0005065 - Irinotecan 100286-90-6 60838 HMDB0014900 C16641 Azaperone 1649-18-9 15443 - C73189 Cinnarizine 298-57-7 1547484 HMDB0014708 - Pioglitazone 111025-46-8 4829 HMDB0015264 C07675 Benztropine mesilate 132-17-2 8584 - - Imiquimod 99011-02-6 57469 HMDB0014862 - Enrofloxacin 93106-60-6 71188 HMDB0029861 D02473 Voglibose 83480-29-9 444020 HMDB0015598 - Felbamate 25451-15-4 3331 HMDB0015084 C07501 Matairesinol 580-72-3 119205 HMDB0035698 C10682 Cycloheximide 66-81-9 | 1154-57-0 6197 - C06685 2-Hydroxy-6-Aminopurine 3373-53-3 76900 HMDB0000403 - Busulfan 55-98-1 2478 HMDB0015143 C06862 Pyridoxine 65-23-6 1054 HMDB0000239 C00314 Gly-Gly-Phe 6234-26-0 6993373 - - Corticosterone 50-22-6 5753 HMDB0001547 C02140 Rolipram 61413-54-5 5092 - - Heterodendrin 66465-22-3 181804 - C08332 Sarsasapogenin 126-19-2 92095 HMDB0030024 C03963 Lamivudine 134678-17-4 60825 HMDB0014847 C07065 Flufenamic acid 530-78-9 3371 HMDB0252331 C13038 Citric acid 77-92-9 311 HMDB0000094 C00158 Ser-Ser 6620-95-7 7019105 - - L-3-Cyanoalanine 6232-19-5 439742 HMDB0060245 C02512 Fenoterol 13392-18-2 3343 HMDB0015405 - Melamine 108-78-1 7955 HMDB0041922 C08737 Rabeprazole 117976-89-3 5029 HMDB0005026 C07864 Forskolin 66575-29-9 | 66428-89-5 47936 - C09076 Hordenine 539-15-1 68313 HMDB0004366 C06199 Glipizide 29094-61-9 3478 HMDB0015200 - 4-Vinylguaiacol 7786-61-0 332 HMDB0013744 C17883 1-Heptadecanoyl-sn-glycero-3-phosphocholine 50930-23-9 24779463 HMDB0012108 C00157 Casticin 479-91-4 5315263 HMDB0030660 - Glucosaminic acid 3646-68-2 | 6165-14-6 73563 HMDB0250755 C03752 Tiamulin 55297-95-5 656958 - - Calcitriol 32222-06-3 5280453 HMDB0001903 C01673 Doxazosin 74191-85-8 | 137888-77-8 3157 HMDB0014728 C06970 Nordihydrocapsaicin 28789-35-7 168836 HMDB0036328 C20216 Securinine 5610-40-2 442872 - - Safinamide mesylate 202825-46-5 3038502 - - Syringaresinol 21453-71-4 100067 HMDB0038928 - Leu-Leu-Gly 4464-36-2 7019089 - - Artemisinin 63968-64-9 68827 - C09538 2-(((R)-2,3-Dihydroxypropyl)phosphoryloxy)-N,N,N-trimethylethanaminium 28319-77-9 439285 HMDB0000086 C00670 3,3-Dimethylglutaric acid 4839-46-7 20984 HMDB0002441 - (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 13241-33-3 442439 HMDB0030748 C09806 N-(2-Furoyl)glycine 5657-19-2 21863 HMDB0000439 - Boldenone 846-48-0 13308 - - Ritalinic acid 19395-41-6 86863 HMDB0042008 - Irbesartan 138402-11-6 3749 HMDB0015163 C07469 Mexenone 1641-17-4 71645 - - Proline-Hydroxyproline 18684-24-7 11902893 HMDB06695 - Vanilloloside 74950-96-2 44577222 HMDB0032013 - 5-Methoxy-L-Tryptophan 2504-22-5 151018 HMDB0002339 - Finasteride 98319-26-7 57363 HMDB0001984 D00321 Metoclopramide 364-62-5 4168 HMDB0015363 C07868 Carnitine C16:0 2364-67-2 - HMDB0000222 C02990 Sulfameter 651-06-9 5326 - - 2'-Hydroxy-5'-methylacetophenone 1450-72-2 15068 HMDB0032592 - Dexmedetomidine 113775-47-6 5311068 HMDB0014771 C07450 Torsemide 56211-40-6 41781 HMDB0014359 - Succinylacetone 51568-18-4 5312 HMDB0000635 - Perillyl alcohol 536-59-4 10819 HMDB0003634 C02452 Betamipron 3440-28-6 71651 HMDB0034250 - Rasagiline 136236-51-6 3052776 HMDB0015454 - Eicosadienoic acid 5598-38-9 6439848 HMDB0005060 C16525 Tropicamide 1508-75-4 5593 HMDB0014947 - 2-Phenylacetamide 103-81-1 7680 HMDB0010715 C02505 Glimepiride 93479-97-1 3476 HMDB0014367 C07669 Ginkgolide B 15291-77-7 65243 HMDB0036861 C07602 Alcaftadine 147084-10-4 19371515 HMDB0015670 - Etodolac 41340-25-4 3308 HMDB0014887 C06991 Ronidazole 7681-76-7 5094 - - Androstanedione 846-46-8 222865 HMDB0000899 C00674 Lactitol 585-86-4 157355 HMDB0040937 - FFA(20:1) 93772-82-8 46234793 - - N-Acetyl-D-lactosamine 32181-59-2 9800166 HMDB0006583 - Androsterone 53-41-8 5879 HMDB0000031 C00523 Tolbutamide 64-77-7 5505 HMDB0015256 C07148 Cynarine 30964-13-7 5281769 HMDB0030093 C10445 Mebendazole 31431-39-7 4030 HMDB0014781 - Xylometazoline hydrochloride 1218-35-5 5282386 - - Pimozide 2062-78-4 16362 HMDB0015232 C07566 5-Methoxytryptamine 608-07-1 1833 HMDB0004095 C05659 Taurochenodeoxycholic acid 516-35-8 387316 HMDB0000949 C05465 Triacetin 102-76-1 5541 HMDB0029592 - L-Histidine 71-00-1 6274 HMDB0000177 C00135 8-Hydroxyguanosine 3868-31-3 135407175 HMDB0002044 - Sodium dehydrocholate 145-41-5 23675007 - - Abietic acid 514-10-3 | 8050-09-7 | 10248-55-2 | 15522-12-0 10569 - C06087 Theobromine 83-67-0 5429 HMDB0002825 C07480 Nicotinamide N-oxide 1986-81-8 72661 HMDB0002730 - Sulfadoxine 2447-57-6 17134 HMDB0015413 C07630 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone 27113-22-0 94378 HMDB0030801 C10482 LPC(20:3/0:0) 1199257-41-4 52924055 HMDB0010393 C00157 Ganciclovir 82410-32-0 135398740 HMDB0015139 C07019 Phytic acid 83-86-3 890 HMDB0003502 C01204 Alvimopan 156053-89-3 5488548 HMDB0015631 - 4-Nitrophenol 100-02-7 980 HMDB0001232 C00870 Ochratoxin A 303-47-9 442530 HMDB0029399 C09955 N-(3-Indolylacetyl)-L-alanine 57105-39-2 644225 - - 2-Hydroxymyristic acid 2507-55-3 1563 HMDB0002261 - Pregnanetriol 1098-45-9 | 13933-75-0 101967 - - Glycine dehydrocholic acid 3415-45-0 13955640 - - Metyrapone 54-36-4 4174 HMDB0015146 C07205 Pulegone 6894-43-5 442495 HMDB0035602 C09893 Ramelteon 196597-26-9 208902 HMDB0015115 - Pyrrolidine 123-75-1 31268 HMDB0031641 - N-Palmitoylglycine 158305-64-7 151008 HMDB0013034 - Omeprazole 73590-58-6 4594 HMDB0001913 C07324 Dexrazoxane 24584-09-6 71384 HMDB0014524 - Aminohippuric acid 61-78-9 2148 HMDB0001867 D06890 Thiotepa 52-24-4 5453 HMDB0015576 C07641 Miglitol 72432-03-2 441314 HMDB0014634 C07708 Ulipristal 159811-51-5 13559281 - - Carvedilol 72956-09-3 2585 HMDB0015267 C06875 Ribavirin 36791-04-5 37542 HMDB0014949 - Maleic acid 110-16-7 444266 HMDB0000176 C01384 Sinapic acid 7362-37-0 637775 HMDB0032616 C00482 Secnidazole 3366-95-8 71815 - - Tinidazole 19387-91-8 5479 HMDB0015047 - Sulfamethoxazole 723-46-6 5329 HMDB0015150 C07315 Pro-Tyr 19786-36-8 152264 HMDB0029029 - Orotidine 314-50-1 92751 HMDB0000788 C01103 Met-Hyp 148305-57-1 69040786 HMDB0028974 - Serotonin 50-67-9 5202 HMDB0000259 C00780 Hydrocortisone 50-23-7 5754 HMDB0000063 C00735 Glycine, N-[imino(phosphonoamino)methyl]-N-methyl- 24655 587 HMDB0001511 C02305 Tiaprofenic acid 33005-95-7 5468 HMDB0015538 - Clidinium bromide 3485-62-9 19004 - - Triamterene 396-01-0 5546 HMDB0001940 D00386 alpha-Dimorphecolic acid 73543-67-6 5312830 HMDB0004670 C14767 Capsaicin 404-86-4 1548943 HMDB0002227 C06866 Lyciumin D 150415-40-0 85125202 HMDB0040695 - D-Ornithine 348-66-3 71082 HMDB0003374 C00515 Fludrocortisone acetate 514-36-3 225609 - C08186 16,16-dimethyl PGF2 39746-23-1 6441607 - - Naltrexone hydrochloride 16676-29-2 5485201 - - Sitagliptin 486460-32-6 4369359 HMDB0015390 D08516 Acarbose 56180-94-0 41774 HMDB0014429 C06802 2-Thiouracil 141-90-2 | 80275-68-9 | 125220-28-2 | 156-82-1 | 124700-71-6 | 126160-72-3 | 124700-72-7 1269845 - C19304 Terfenadine 50679-08-8 5405 HMDB0014486 C07463 Anaxagoreine 77410-38-9 13891860 HMDB0034669 - Losartan 114798-26-4 3961 HMDB0014816 C07072 Dibutyl sebacate 109-43-3 7986 HMDB0041220 - Coumarin 91-64-5 323 HMDB0001218 C05851 Yangonin 500-62-9 5281575 HMDB0034144 C09980 Nifedipine 21829-25-4 4485 HMDB0015247 C07266 Podofilox 477-47-4 10607 HMDB0015310 C10874 5,6-DHET 213382-49-1 5283142 HMDB0002343 C14772 Altretamine 645-05-6 2123 HMDB0014631 - Thalidomide 50-35-1 5426 HMDB0015175 C07910 10-deoxyformamycin 11091-33-1 14155 - C11994 Prolyl-Histidine 92027-43-5 9856353 HMDB0029019 - Mifepristone 84371-65-3 55245 HMDB0014972 C07652 2',3,4,4',6'-Pentahydroxychalcone 14917-41-0 | 73692-51-0 5461154 HMDB0126020 - Hydroxycotinine 34834-67-8 | 108450-02-8 | 223655-46-7 107963 HMDB0001390 - Kasugamycin hydrochloride 19408-46-9 | 6980-18-3 88045 - - Dihydrocapsaicin 19408-84-5 107982 HMDB0038457 C16952 Fenbendazole 43210-67-9 3334 HMDB0029745 - Isophorone 78-59-1 6544 HMDB0031195 C14743 Dehydroandrographolide 134418-28-3 78577438 - - Dolasetron 115956-12-2 | 115956-13-3 3033818 HMDB0014895 C71510 Ticlopidine 55142-85-3 5472 HMDB0014353 C07140 Chlorpromazine 50-53-3 2726 HMDB0014620 C06906 Sulfisoxazole 127-69-5 5344 HMDB0014408 C07318 Carnitine C12:0 25518-54-1 168381 HMDB0002250 - Rufinamide 106308-44-5 129228 - C71253 Nodinitib-1 799264-47-4 1088438 - C76555 Celiprolol hydrochloride 57470-78-7 42373 - - Tobramycin 32986-56-4 36294 HMDB0014822 C00397 20alpha-Hydroxycholesterol 516-72-3 121935 HMDB0006283 C05500 Arginine 74-79-3 6322 HMDB0000517 C00062 Vildagliptin 274901-16-5 6918537 HMDB0015596 - 5-Hydroxymethyluracil 4433-40-3 78168 HMDB0000469 C03088 Safinamide 133865-89-1 131682 - - Tyr-Asp 87085-11-8 9817652 HMDB0029101 - Ala-Tyr 3061-88-9 92946 HMDB0028699 - 4-Ethylbenzoic acid 619-64-7 12086 HMDB0002097 - Phenylalanyllysine 6456-72-0 15607820 HMDB0029000 - 1-Deoxynojirimycin 19130-96-2 29435 HMDB0035359 - alpha-Hydroxyisobutyric acid 594-61-6 11671 HMDB0000729 - 25-Hydroxy-vitamin-D2 21343-40-8 5710148 HMDB01438 - Leucomycin A1 16846-34-7 5282322 - - N-Acetylpyrrolidine 4030-18-6 77650 - - Fluorometholone 426-13-1 9878 HMDB0014469 - Ionomycin 56092-81-0 6912226 - - Nelarabine 121032-29-9 3011155 HMDB0015401 - DL-3,4-Dihydroxyphenyl glycol 28822-73-3 5307 HMDB0000318 C05576 Amidate 33125-97-2 | 15301-65-2 36339 HMDB0014437 - Glu-glu 3929-61-1 439500 HMDB0028818 C01425 Ubiquinone-2 606-06-4 5280346 HMDB0006709 C00399 Methyl 2,4-dihydroxy-3,6-dimethylbenzoate 4707-47-5 | 91061-32-4 78435 - - prostaglandin D2 41598-07-6 448457 HMDB0001403 C00696 Clindamycin hydrochloride 21462-39-5 | 58207-19-5 16051951 - - Sulfasalazine 599-79-1 | 737754-28-8 5339 HMDB0014933 C07316 Saxagliptin 361442-04-8 11243969 HMDB0015634 - Hydroxyquinoline 148-24-3 1923 - C19434 Spaglumic acid 3106-85-2 188803 HMDB0001067 C12270 Megestrol acetate 595-33-5 11683 - C08151 Isofraxidin 486-21-5 5318565 HMDB0253642 C17480 Moxifloxacin 354812-41-2 152946 HMDB0014363 C07663 D-Fructose-6-phosphate 643-13-0 69507 HMDB0000124 C00085 Isopentenyl pyrophosphate 358-71-4 1195 HMDB0001347 C00129 Fexofenadine hydrochloride 153439-40-8 | 138452-21-8 63002 - - Irisflorentin 41743-73-1 170569 - C17958 Methyl benzoate 93-58-3 7150 HMDB0033968 - Cyclophosphamide monohydrate 6055-19-2 22420 HMDB0014672 C06933 Sarafloxacin hydrochloride 91296-87-6 56207 - - Octopamine 104-14-3 4581 HMDB0004825 - Esculetin 305-01-1 5281416 HMDB0030819 C09263 Oxybutynin 5633-20-5 | 119579-36-1 4634 HMDB0015195 C07360 Meestrol 72-33-3 6291 HMDB0015446 C07618 Curcumin 458-37-7 969516 HMDB0002269 C10443 Leflunomide 75706-12-6 3899 HMDB0015229 C07905 Lys-Ser 6665-19-6 151428 HMDB0028960 - Acyclovir 59277-89-3 | 141294-79-3 135398513 HMDB0014925 C06810 Acebutolol hydrochloride 34381-68-5 441307 - C07677 5-Methyluridine 1463-10-1 445408 HMDB0000884 - Marimastat 154039-60-8 119031 HMDB0014924 - Telmisartan 144701-48-4 65999 HMDB0015101 C07710 Urea 57-13-6 1176 HMDB0000294 C00086 2-Amino-4-methylphenol 95-84-1 7264 - - Pregnenolone 145-13-1 8955 HMDB0000253 C01953 Digoxigenin 1672-46-4 15478 - - 2-Hydroxy-4-(methylthio)butyric acid 120-91-2 11427 HMDB0037115 - Gentian violet 548-62-9 11057 - - Phe-Glu 3617-45-6 151134 HMDB0028994 - Voriconazole 137234-62-9 71616 HMDB0014720 C07622 Quinestrol 152-43-2 9046 HMDB0015579 C07619 Indapamide 26807-65-8 3702 HMDB0014946 - Usnic acid 125-46-2 5646 - - Diethyl hydrogen phosphate 598-02-7 654 HMDB0012209 C06608 Enoxacin 74011-58-8 3229 HMDB0014610 C06979 Deoxycholic acid glycine conjugate 360-65-6 22833539 HMDB0000631 C05464 4-Hydroxy-3-methoxycinnamaldehyde 20649-42-7 5280536 HMDB0141782 C02666 Oxtriphylline 4499-40-5 | 146-71-4 656652 HMDB0015415 - Imipramine hydrochloride 113-52-0 8228 HMDB0004231 C07982 Indole-3-carboxylic acid 771-50-6 69867 HMDB0003320 C19837 4-(2-Hydroxyethyl)-1-piperazine ethanesulfonic acid 7365-45-9 23831 HMDB0062295 - Benzethonium chloride 121-54-0 | 5929-09-9 | 1313-08-2 8478 - - Azacitidine 320-67-2 9444 HMDB0015063 C11262 3-Amino-2-naphthoic acid 5959-52-4 22244 - - Hydroxyphenyllactic acid 306-23-0 9378 HMDB0000755 C03672 Epalrestat 82159-09-9 1549120 - - 2-(2-(4-Bromophenyl)-6-methylpyrimidin-4-ylamino)ethanol 330981-72-1 5332859 - - Camostat mesylate 59721-29-8 5284360 - - Cortisone 19515 222786 HMDB0002802 C00762 Umeclidinium bromide 869113-09-7 11519069 - - Bexarotene 153559-49-0 82146 HMDB0014452 - Albendazole 54965-21-8 2082 HMDB0014659 C01779 Ticagrelor 274693-27-5 9871419 HMDB0015702 - 4-Hydroxy-2-methylquinoline 607-67-0 | 5660-24-2 69089 - C21873 Triamcinolone 124-94-7 31307 HMDB0014758 - Meropenem 119478-56-7 441130 HMDB0014898 - Lansoprazole 103577-45-3 3883 HMDB0005008 - Tyrphostin B42 133550-30-8 | 134036-52-5 5328779 - C72336 Salsalate 552-94-3 5161 HMDB0015471 - Azasetron hydrochloride 123040-16-4 | 123040-69-7 | 141922-90-9 | 123040-93-7 | 123040-96-0 | 123040-94-8 | 477243-03-1 115000 - - D-Urobilinogen 17208-65-0 440784 HMDB0004158 C05791 Doxapram 309-29-5 3156 HMDB0014701 - Tilmicosin 108050-54-0 5282521 - - Homovanillic acid 306-08-1 1738 HMDB0000118 C05582 leukotriene C4 72025-60-6 5280493 HMDB0001198 C02166 Capecitabine 154361-50-9 60953 HMDB0015233 C12650 Nystatin A3 62997-67-5 11953998 - - Dl-Lyxose 65-42-9 | 1949-78-6 65550 HMDB0003402 - N-lactoyl-phenylalanine 183241-73-8 11075454 HMDB0062175 - Pramipexole 104632-26-0 119570 HMDB0014557 - Paeoniflorin 23180-57-6 442534 HMDB0256075 C09959 Phensuximide 86-34-0 6839 HMDB0014970 C07437 Pramipexole dihydrochloride monohydrate 191217-81-9 | 191712-81-9 166589 - - Ciloxan 86393-32-0 | 128074-72-6 62998 - - Sofalcone 64506-49-6 5282219 HMDB0042013 - Atrazine 1912-24-9 2256 HMDB0041830 C06551 Amlexanox 68302-57-8 2161 HMDB0015160 - Clotrimazole 23593-75-1 2812 HMDB0001922 C06922 Trimethobenzamide hydrochloride 554-92-7 68385 - C75602 Morusin 62596-29-6 5281671 HMDB0036631 C10106 Eslicarbazepine acetate 236395-14-5 179344 - - Cimifugin 37921-38-3 441960 - C09000 Methotrexate sodium 7413-34-5 11329481 - - Indinavir sulfate 157810-81-6 5462355 - C08089 Hydroquinone 123-31-9 785 HMDB0002434 C00530 Milnacipran hydrochloride 101152-94-7 163701 - - prostaglandin B1 13345-51-2 5280388 HMDB0002982 C00959 Buspirone hydrochloride 33386-08-2 36431 - - Palonosetron hydrochloride 135729-62-3 6918303 - - Lovastatin 75330-75-5 53232 HMDB0014372 C07074 Domperidone 57808-66-9 3151 HMDB0015315 - Dioscin 19057-60-4 119245 - C08897 Folic acid 59-30-3 | 112339-08-9 | 112339-32-9 135398658 HMDB0000121 C00504 4,4'-Methylenedianiline 101-77-9 7577 HMDB0041808 C14288 2-Benzylsuccinic acid 884-33-3 | 36092-42-9 3858 HMDB0012127 C09816 3,4-Dihydrocoumarin 119-84-6 660 HMDB0036626 C02274 N-Acetyl-L-methionine 65-82-7 448580 HMDB0011745 C02712 Pimecrolimus 137071-32-0 6509979 HMDB0014481 - Adenosine monophosphate 61-19-8 6083 HMDB0000045 C00020 Chlorprothixene 113-59-7 667467 HMDB0015369 C07953 Clopamide 636-54-4 12492 - - Quinine 130-95-0 3034034 HMDB0014611 C06526 Parecoxib sodium 198470-85-8 15895902 - - Methyl nicotinate 93-60-7 7151 HMDB0029806 - Pemetrexed disodium hemipentahydrate 357166-30-4 | 150399-23-8 135564527 - - Vitamin D3 67-97-0 5280795 HMDB0000876 C05443 Medrysone 2668-66-8 247839 HMDB0014398 C14643 Drospirenone 67392-87-4 68873 HMDB0015467 - Nb-p-Coumaroyltryptamine 53905-12-7 5458878 HMDB0041518 - p-Coumaroylagmatine 7295-86-5 5280691 HMDB0033460 C04498 (4Z,-7Z,-10Z,-13Z,-16Z,-19Z)--Eicosahexaenoate 81926-94-5 47205493 - C16185 Doxylamine succinate 562-10-7 11224 HMDB0001936 C19414 Cyclopentolate hydrochloride 5870-29-1 | 60452-44-0 | 60452-46-2 22162 - - 2-Aminobenzenesulfonamide 3306-62-5 72894 - - Moracin E 73338-84-8 5319888 HMDB0033313 - Enoxacin Sesquihydrate 84294-96-2 24840537 - - 3,4-Bis[(3-hydroxyphenyl)methyl]oxolan-2-one 76543-15-2 123917 HMDB0006101 - Isorescinnamine, dihydro- 6335-49-5 232430 - - Tetrabutylammonium hydrogen sulfate 32503-27-8 94433 - - beta-Muricholic acid 2393-59-1 5283853 HMDB0000415 C17726 Biocytin 576-19-2 83814 HMDB0003134 C05552 Mepiprazole 20326-12-9 71897 - - (+/-)5,6-EET Methyl Ester 122799-12-6 13075008 - - Dulcoside A 64432-06-0 72941582 HMDB0036708 - 15-methyl-15S-Prostaglandin E1 35700-26-6 5283057 - - Oleoyl Ethyl Amide 85075-82-7 53442596 - - Pindolol 13523-86-9 4828 HMDB0015095 C07445 (4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 475085-57-5 9931891 - - Ile-Ile 42537-99-5 7010568 HMDB0028910 - Suloctidil 54063-56-8 5354 - - Hyocholic acid 547-75-1 92805 HMDB0000760 C17649 Tacalcitol 57333-96-7 5283734 - - Zearalanone 5975-78-0 108003 - - N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine 76684-89-4 123664 - - 6-Keto-prostaglandin F1alpha 58962-34-8 5280888 HMDB0002886 C05961 Methanandamide 157182-49-5 6321351 - - Estradiol 50-28-2 5757 HMDB0000151 C00951 3-Dehydrosphinganine 16105-69-4 439853 HMDB0001480 C02934 Alfacalcidol 41294-56-8 5282181 HMDB0015504 - Sorbitan, monohexadecanoate 26266-57-9 14927 HMDB0029887 - (+)-Penbutolol 38363-41-6 162302 HMDB0015447 - 5(6)-EpETE methyl ester 127716-49-8 46243151 - - Drofenine 1679-76-1 3166 - - Arachidoyl glycine 617703-96-5 71433203 - - Auraptenol 1221-43-8 13343540 HMDB0030854 - N-methyl arachidonoyl amine 156910-29-1 5283392 - - Dihydroartemisinin 81496-81-3 456410 HMDB0060593 - Resmethrin 10453-86-8 5053 - - Diisodecyl phthalate 26761-40-0 | 89-16-7 | 68515-49-1 | 19269-67-1 33599 - - 7(S),17(S)-dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 887752-13-8 91886114 - - Pentamycin 6834-98-6 5282200 - - Anaprel 24815-24-5 5353923 - - Stearoylcarnitine 25597-09-5 52922056 HMDB0000848 - PGE1 alcohol 21562-57-2 5283054 - - cis-12-Octadecenoic acid methyl ester 2733-86-0 12963317 - - Fumitremorgin C 118974-02-0 403923 HMDB0038642 - AM-1235 335161-27-8 57458897 - - Homidium bromide 1239-45-8 14710 - - Docosatrienoic acid 28845-86-5 5312557 HMDB0002823 - N-(2-Hydroxyethyl)heptadecanamide 53832-59-0 14455158 - - 17beta-Dihydroequilin 3563-27-7 11954027 - - Smilagenin acetate 4947-75-5 | 35319-91-6 225766 - - N,N-dimethylsphingosine 122314-67-4 5282309 HMDB0013645 C13914 Enniatin B 917-13-5 164754 - - Tetrahydrocorticosterone 68-42-8 65553 HMDB0000268 C05476 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone 482598-46-9 10881846 - - Danofloxacin 112398-08-0 71335 - - Hecogenin 467-55-0 91453 - C08902 Lonchocarpic acid 5490-47-1 54683839 - - Licochalcone a 58749-22-7 5318998 - - Colchiceine 477-27-0 234105 - - 15-keto-prostaglandin E2 26441-05-4 5280719 HMDB0003175 C04707 2,3',4,5'-Tetramethoxystilbene 24144-92-1 | 20578-92-1 5354004 - - 9-Octadecenamide, N-((1R)-2-hydroxy-1-methylethyl)-, (9Z)- 213182-22-0 10569111 - - Glyceryl monostearate 123-94-4 | 31566-31-1 | 22610-63-5 | 83138-62-9 | 85666-92-8 | 342394-34-7 24699 - C01885 Methyl 5,9,12-octadecatrienoate 38406-57-4 35027731 - - 16,16-Dimethylprostagladin A2 41691-92-3 5283083 - - 1,2-Di(2-pyridyl)ethylene 1437-15-6 | 13341-40-7 5374802 - - Monocrotaline 315-22-0 | 109525-74-8 9415 HMDB0034363 - 3-Hydroxy-3',4'-dimethoxyflavone 6889-80-1 97143 - - N-(1-Methyl-5-indolyl)-N'-(3-pyridyl)urea 143797-63-1 126769 - - Spinosyn A 131929-60-7 443059 - - Prim-O-glucosylcimifugin 80681-45-4 14034912 - - Tegaserod 145158-71-0 | 189188-57-6 135409453 - - 8-Geranylumbelliferone 23660-05-1 71694409 - C21495 Clenbuterol 37148-27-9 2783 HMDB0015477 - 5-Methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol 35482-50-9 16657068 - - (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid 59894-05-2 5283094 - - Isovaleric acid 503-74-2 10430 HMDB0000718 C08262 1-Palmitoyl-2-oleoyl-sn-glycerol 29541-66-0 5282283 HMDB0007102 C13861 Sterebin A-Stevia rebaudiana 107647-14-3 71694416 HMDB0035337 - 2-Hydroxyquinoline 59-31-4 | 1321-40-0 | 70254-42-1 | 104534-80-7 6038 - C06338 | C06415 N1-(2-aminophenyl)-N8-phenyloctanediamide 537034-17-6 9543540 - - Methyl cholate 1448-36-8 10960835 - - Equilin 474-86-2 223368 - - HC-Toxin 83209-65-8 107864 - - 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid 888320-29-4 11670893 - - Isoflupredone 338-95-4 127516 - - 13-Azaprostanoic acid 71629-07-7 123640 - - N-hexanoylsphingosine 124753-97-5 5702613 - - N-Octadecyl-N'-propyl-sulfamide 925891-74-3 16103197 - - 1-(2-(4-Morpholinyl)ethyl)-3-(1-naphthoyl) indole 103610-04-4 10045570 - - Adrenoyl ethanolamide 150314-35-5 5282273 HMDB0013626 C13829 Prostaglandin E1-d4 211105-33-8 71751857 - - 3',4'-(Methylenedioxy)-2-(1-pyrrolidinyl)butyrophenone Hydrochloride 24622-60-4 71750317 - - 8,11-eicosadiynoic acid 82073-91-4 1899 - - Hirsuteine 35467-43-7 3037151 - C16971 4-(Methylsulfanyl)butan-2-ol 13296-23-6 12659797 HMDB0041476 - Decahydro-2-naphthoic acid 13032-41-2 656885 - - 4-Oxoretinoic acid 64907-22-8 6437063 HMDB0006280 C16678 Spiroxamine 118134-30-8 86160 - - Ile-Trp 13589-06-5 7019085 HMDB0028918 - Lutein 127-40-2 5281243 HMDB0003233 C08601 Tetradecanoylcarnitine 25597-07-3 53477791 HMDB0005066 - Arachidonoyl Serotonin 187947-37-1 10027372 - - F-Amidine (trifluoroacetate salt) 877617-46-4 11589583 - - Lys-Val 20556-11-0 6992341 HMDB0028964 - Methylclostebol 5785-58-0 227107 - - Tetrapentylammonium 15959-61-2 17249 - - Resazurin 550-82-3 | 153796-08-8 11077 - - Petromyzonol 28979-29-5 5284054 - - Dimethyl suberate 1732-09-8 15611 - C17803 Lariciresinol 27003-73-2 332427 - - 15-keto Latanoprost 135646-98-9 9867370 - - Anandamide 94421-68-8 5281969 HMDB0004080 C11695 9s,13r-12-Oxophytodienoic Acid 71606-07-0 | 67204-66-4 14037063 - - 5-Phenylpent-4-enyl-1-hydroperoxide 87864-20-8 | 94242-71-4 6438577 - - Isopropyl unoprostone 120373-24-2 5282175 - - Bisoprolol 66722-44-9 | 104344-23-2 2405 HMDB0014750 C06852 Gln-Tyr 457662-02-1 9972600 HMDB0028809 - Tyrosyl-Valine 17355-09-8 7009560 HMDB0029118 - 7-Aminoclonazepam 4959-17-5 188298 HMDB0041817 - Phosphine-biotin 608514-42-7 24859184 - - alpha-Hederin 27013-91-8 73296 - C08954 7,18-Dihydroxykaurenolide 7758-47-6 628758 HMDB0036761 - Ergosine 561-94-4 105137 - C09167 (-)-Tylocrebrine 61302-92-9 442875 - - methyl 7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-ynyl]-3,5-dihydroxycyclopentyl]heptanoate 291303-34-9 59734625 - - Neryl acetate 141-12-8 | 16409-44-2 | 130396-85-9 1549025 HMDB0035157 - (1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride 129830-38-2 9901617 - - Epoxideoxycorticosterone acetate 21853-83-8 227111 - - Cetylpyridinium 7773-52-6 2683 - - Isohyodeoxycholic acid 570-84-3 5283822 HMDB0000664 - Camylofin 54-30-8 5902 - - 1-Oleoyl-2-acetyl-sn-glycerol 86390-77-4 | 92282-11-6 6437055 - C00641 Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride 146033-02-5 132748 - - Carnitine C18:2 36816-10-1 6450015 HMDB0006469 - 1-Octadecyl-2-acetyl-sn-glycero-3-phosphocholine 74389-69-8 2733535 - C00157 Hederagenin 465-99-6 73299 - - Palmitoyl Serinol 126127-31-9 9862307 HMDB0013654 - Vitamin K1 2,3-epoxide 85955-78-8 5280845 HMDB0002972 C05849 Biotin-XX-Hydrazide 211237-33-1 16760313 - - N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 105903-56-8 219778 - - 20-Hydroxyecdysone 5289-74-7 5459840 HMDB0030180 - Benzyl butyl phthalate 85-68-7 2347 - - Drostanolone propionate 521-12-0 224004 - C15917 Leu-Leu 3303-31-9 76807 - - Betamethasone valerate 2152-44-5 16533 - - Threonyl-valine 99032-17-4 7020902 - - 1-Hexyl-3-(1-naphthoyl)pyrrole 162934-74-9 9995276 - - 2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide 267654-00-2 16760027 - - Methoprene 40596-69-8 | 36557-27-4 | 41205-06-5 | 52020-07-2 5366546 - - Methyl reserpate 2901-66-8 73532 - - N-octanoylsphingosine 74713-59-0 5702614 - C00195 9,10-EpOME 61949-82-4 12097313 - - Astaxanthin 472-61-7 5281224 HMDB0002204 C08580 Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)- 284464-77-3 9866368 - - Avocadyne 4-acetate 28884-46-0 45782986 HMDB0031049 - 9-Octadecynoic acid 506-24-1 68167 - C08459 3'-N'-Acetylfusarochromanone 120976-97-8 102571616 HMDB0037499 - 4,4'-Methylenebis(2,6-DI-tert-butylphenol) 118-82-1 8372 - - Torachrysone 8-O-Glucoside 64032-49-1 11972479 - - Prolyl-Glutamine 18668-08-1 7408110 HMDB0029015 - 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one 547-97-7 5284271 HMDB0006887 C05453 Prostaglandin B3 36614-32-1 5283113 - - 7-Hydroxycholesterol 566-27-8 473141 HMDB0006119 - (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid 909725-61-7 6857802 - - 6,11-Dihydro[1]benzothiopyrano[4,3-b]indole 4079-26-9 297589 - - Doxercalciferol 54573-75-0 5281107 - C08211 4'-Chloro-5-methoxyvalerophenone (E)-O-(2-aminoethyl)oxime fumarate 54739-21-8 9576737 - - Methylergonovine 113-42-8 8226 HMDB0014497 - Deacetylvindoline 3633-92-9 260534 - C01091 Prostaglandin F2alpha dimethyl amide 68192-15-4 52193851 - - Sambutoxin 160047-56-3 129008908 HMDB0041085 - Imidacloprid 138261-41-3 86287518 HMDB0040292 - Ecdysone 3604-87-3 19212 - C00477 n5-Iminoethyl-l-ornithine 36889-13-1 107984 - - Mitraphylline 509-80-8 94160 - C09227 Dihydrofolic acid 4033-27-6 135398604 HMDB0001056 C00415 Canadine 522-97-4 | 29074-38-2 34458 - - 2-[Benzyl(methyl)nitroryl]ethanol 15831-63-7 | 158760-95-3 264996 - - Arachidonoyl Serinol 183718-70-9 10595770 HMDB0013650 - Sumaresinol 559-64-8 12443148 - C17070 Estradiol dipropionate 113-38-2 8225 - - Imiprothrin 72963-72-5 123622 - - Colladonin 100785-98-6 375430 HMDB0029488 - Docosahexaenoyl Ethanolamide 162758-94-3 5283451 HMDB0013658 - SPH(d17:1) 6918-48-5 5283557 - - D-Glycero-D-gulo-heptose 3146-50-7 | 62475-58-5 76599 - - Oxprenolol 6452-71-7 4631 HMDB0015520 - Testosterone decanoate 5721-91-5 155143 - - Aclarubicin 57576-44-0 451415 - C18638 Moclobemide 71320-77-9 4235 HMDB0015302 - O-malonyl-L-carnitine 910825-21-7 91825606 HMDB0002095 - Methyl linoleate 112-63-0 5284421 HMDB0034381 - 10E,12Z-Octadecadienoic acid 2420-56-6 5282800 HMDB0005048 - Cannabidiol dimethyl ether 1242-67-7 3081957 - - 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine 10091-84-6 135438588 - C08435 Avenoleic acid 177931-23-6 45934094 HMDB0029978 - Prostaglandin E2 Ethanolamide 194935-38-1 5283119 HMDB0013038 - 5alpha-Cholestan-3-one 566-88-1 92128 HMDB0000871 C03238 12-Oxo-phytodienoic acid 85551-10-6 5280411 HMDB0301804 C01226 4-Dimethylaminocinnamaldehyde 6203-18-5 | 20432-35-3 5284506 - - [(2R,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate 2270-40-8 5458294 HMDB0035104 - Leukotriene C4 methyl ester 73958-10-8 101070933 - - N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide 898235-65-9 11515763 - - Methasterone 3381-88-2 237186 - - N-(5Z,8Z,11Z-eicosatrienoyl)-ethanolamine 169232-04-6 16061185 - - Medroxyprogesterone acetate 71-58-9 6279 - C08150 | C76275 Dipivefrin 52365-63-6 3105 HMDB0014592 C06963 Oxytetracycline 79-57-2 | 6153-64-6 54675779 HMDB0014733 C06624 Hyperoside 482-36-0 5281643 HMDB0030775 C10073 Echinocystic acid 510-30-5 73309 - C08942 Triphenylphosphine oxide 791-28-6 13097 - - (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid 210978-26-0 5283097 - - 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine 77286-66-9 6918215 - C00157 Levomepromazine 60-99-1 72287 HMDB0015474 C07192 N-acetylsphinganine 13031-64-6 | 26561-61-5 6610273 - - Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester 170291-06-2 9832594 - - 3-dodecanoyl-NBD Cholesterol 1246303-05-8 91886110 - - (3aR,4S,5R,6aS)-5-Hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one 32233-40-2 | 54423-47-1 2724453 - - Oxandrolone 53-39-4 5878 HMDB0014759 C07346 Dextilidine 32447-90-8 | 20380-58-9 | 51931-66-9 30131 - - Meperidine 57-42-1 4058 HMDB0014597 C07128 Ciprostene 81845-44-5 6438980 - - Actinonin 13434-13-4 443600 - - PGF2alpha methyl ether 143656-18-2 5283074 - - Deoxycorticosterone acetate 56-47-3 5952 - - Tetraethyl pyrophosphate 107-49-3 7873 - C19017 16-phenoxy tetranor Prostaglandin E2 54382-74-0 91885951 - - Mibefradil 116644-53-2 60663 - C07222 Diethylpropion 134-80-5 7029 HMDB0015072 C06954 Dioxacarb 6988-21-2 23421 - C18953 Poly-N-acetyllactosamine 82441-98-3 119547 HMDB0006583 - Mesoridazine 5588-33-0 4078 HMDB0015068 C07143 Diosgenin 512-04-9 99474 - C08898 Prostaglandin K2 275816-51-8 5283037 - - Val-His 13589-07-6 | 51077-05-5 7408625 HMDB0029129 - Arg-Phe 2047-13-4 150964 HMDB0028716 - Phenylalanyl-alanyl-lysine 107889-42-9 5487956 - - Prostaglandin f1alpha 745-62-0 5280939 HMDB0002685 C06475 Heliotrine 303-33-3 906426 - - Tilorone hydrochloride 27591-69-1 33958 - - 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 206059-98-5 42607458 HMDB0011394 - 4-Oxo-4-(pyridin-3-yl)butanal 76014-80-7 115084 HMDB0062406 C19567 Nalorphine 62-67-9 5284595 - - 7alpha-Hydroxytestosterone 62-83-9 65541 HMDB0003956 C05291 Butyrylcholine 3922-86-9 17233 HMDB0013223 - Trans-Zeatin 1637-39-4 449093 HMDB0012204 C00371 Prosapogenin A 19057-67-1 11061578 HMDB0029312 - Tiotropium 186691-13-4 5487427 HMDB0015479 - 4-Hydroxynonenal 75899-68-2 5283344 HMDB0004362 - Firefly luciferin 2591-17-5 92934 HMDB0029713 C02740 Dehydrodiferulic dilactone 13962-76-0 3703882 HMDB0033876 - GcNeu 1113-83-3 123802 HMDB0000833 C03410 Cephaeline 483-17-0 | 5483-17-0 | 5853-29-2 442195 - C09390 2,2'-Dihydroxy-4',6'-dimethoxychalcone 1776-28-9 5964319 HMDB0140838 - Verbenalin 548-37-8 73467 - C09802 Avocadyne 129099-96-3 3015189 HMDB0035473 - Eletriptan 143322-58-1 77993 HMDB0014361 - Arg-Trp 25615-38-7 7009653 HMDB0028720 - 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 17364-21-5 3983 - C00157 Coproporphyrin III 14643-66-4 114935 HMDB0000570 C05770 Murrangatin 88546-96-7 | 37126-91-3 389002 HMDB0132703 - Dubinidine 22964-77-8 442897 - - L-Histidine beta-naphthylamide 7424-15-9 688489 - - Arg-Leu 1188-24-5 6992563 HMDB0028713 - Butyl oleate 142-77-8 5354342 HMDB0062659 - Fluvoxamine 54739-18-3 5324346 HMDB0014322 C07571 9-Dihydro-13-acetylbaccatin III 142203-65-4 3083352 - - Germine 508-65-6 442976 - - Phenelzine 51-71-8 3675 HMDB0014918 C07430 1,2-Didecanoyl-sn-glycero-3-phosphocholine 3436-44-0 16219892 - C00157 Val-Phe 3918-92-1 6993120 HMDB0029134 - 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol 186692-44-4 5097 - - Desmethylescitalopram 144025-14-9 11255350 HMDB0014021 - 11-dehydro-TXB3 129228-55-3 16061115 - - N-Stearoyl Taurine 63155-80-6 168274 HMDB0240595 - Palmitic monoisopropanolamide, (R)- 179951-56-5 18395309 - - (8)-Gingerol 23513-08-8 168114 HMDB0033615 C17495 Naloxone 465-65-6 5284596 HMDB0015314 C07252 Dimoxystrobin 149961-52-4 10936292 - - Reversine 656820-32-5 210332 - - O-Decanoyl-L-carnitine 1492-27-9 11953821 HMDB0000651 C03299 Pinane Thromboxane A2 71111-01-8 3417932 - - 6-(2-Prop-2-ynoxyphenyl)hexanoic acid 206052-01-9 53741002 - - Dexamisole 14769-74-5 66374 HMDB0014986 - 3-Formylsalicylic acid 610-04-8 69117 - C13277 Ophiobolin A 990299 5281387 - C09145 Indole 3-Ethanol 526-55-6 10685 HMDB0003447 C00955 Antazoline 91-75-8 2200 HMDB0015689 - Arthonioic acid 25556-24-5 6710684 - - Angiotensin IV 12676-15-2 123814 HMDB0001038 C15849 Palmitoleoyl Ethanolamide 94421-67-7 9835868 HMDB0013648 - Coenzyme Q4 4370-62-1 5283545 HMDB0006710 - 2',3'-Dideoxyinosine 69655-05-6 135398739 HMDB0015037 C06953 Seneciphylline 480-81-9 5281750 - C10391 N-[(3S)-Tetrahydro-2-oxo-3-furanyl]hexadecanamide 87206-01-7 11609787 - - Okadaic acid 78111-17-8 446512 HMDB0030441 - Thioetheramide PC 116457-99-9 10259407 - C04873 3,7-Dimethoxyflavone 20950-52-1 688664 - - Pipenzolate bromide 125-51-9 657306 - - Ser-Ala 6403-17-4 7009579 - - Leukotriene B4 dimethylamide 83024-92-4 5283126 HMDB0005085 - 7-Methoxyisoflavone 1621-56-3 638006 - - 2,4-dichloro-N-propylbenzamide 39887-48-4 221797 - - Hydrocortisone hemisuccinate 2203-97-6 | 125-04-2 | 83784-20-7 16623 - - L-ribulose 2042-27-5 | 488-84-6 644111 HMDB0003371 - 13(S)-Hydroperoxylinolenic acid 67597-26-6 5497123 HMDB0301803 C04785 Scopolamine N-oxide hydrobromide 6106-81-6 6419978 - - Tranexamic acid 1197-18-8 | 701-54-2 | 1197-17-7 5526 HMDB0014447 - Phenformin 114-86-3 8249 HMDB0015050 C07673 Adenosine-5'-diphosphate 58-64-0 6022 HMDB0001341 C00008 Isovalerophenone 582-62-7 68493 - - Menthone 14073-97-3 26447 HMDB0035162 C00843 Glu-Thr-Tyr 110642-78-9 91872927 - - Lys-Pro-Arg 41961-57-3 488929 - - Leukotriene B4-3-aminopropylamide 89596-43-0 14280302 - - Zaprinast 37762-06-4 135399235 - - Clomiphene 15690-57-0 | 911-45-5 1548953 HMDB0015020 C06917 11,12-Dimethoxydihydrokawain 38146-60-0 592220 HMDB0030767 - 17-phenyl trinor Prostaglandin F2 cyclopropyl amide 1138395-12-6 42598149 - - Dipalmitoylphosphatidylserine 3036-82-6 3081382 HMDB0000614 - Thr-Lys 23161-31-1 10332210 HMDB0029066 - Perindopril 82834-16-0 107807 HMDB0014928 C07706 6,3'-Dimethoxyflavone 79786-40-6 676293 - - 19-Noretiocholanolone 33036-33-8 14009228 HMDB0005886 - 11beta-Hydroxyandrosterone 57-61-4 10286365 HMDB0002984 C14606 5-Methyl-7-methoxyisoflavone 82517-12-2 2734290 - - 20a,20b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid 37492-24-3 16061106 - - brefeldin A 20350-15-6 | 60132-23-2 | 11006-23-8 5287620 - C73840 (4-Ethoxyphenyl)urea 150-69-6 9013 HMDB0032565 C19415 3-(Methylthio)-2-butanone O-((methylamino)carbonyl)oxime 34681-10-2 5360962 - C18645 Urea, tetraphenyl- 632-89-3 222572 - - 3-Methoxybenzyl alcohol 6971-51-3 81437 - C03352 Glycerophospho-N-Oleoyl Ethanolamine 201738-24-1 16123469 - C00350 Carnitine C6:0 22671-29-0 6426853 HMDB0000705 - Pelargonin 58751-31-8 441772 HMDB0033681 C08725 Dehydrocostus lactone 477-43-0 73174 - C09387 Alprenolol 13655-52-2 2119 HMDB0015004 - Arachidonoyl Thio-PC 146797-82-2 53394300 - - N-trans-Feruloyloctopamine 66648-44-0 24096391 HMDB0032805 - Paullinic acid 17735-94-3 5312518 HMDB0035159 - 5alpha-Androstane-3,11,17-trione 1482-70-8 11185733 - - 5alpha-Androstane-3beta,17beta-diol 571-20-0 242332 HMDB0000493 C12525 Furafylline 80288-49-9 3433 - - Malyngolide 71582-80-4 155655 - - Strychnine 57-24-9 441071 - C06522 Bepridil 64706-54-3 2351 HMDB0015374 C06847 Selamectin 220119-17-5 | 165108-07-6 9578507 - - Tosyl-L-lysine chloromethyl ketone 2364-87-6 73094 - C00896 N-(3-Oxohexanoyl)homoserine lactone 76924-95-3 | 143537-62-6 119133 - - Veratrine 62-59-9 | 8051-02-3 5380394 - - 1-Eicosanoyl-sn-glycero-3-phosphocholine 108341-80-6 24779473 HMDB0010390 C04230 Aucubin 479-98-1 91458 - C09771 N-Benzyl-N,alpha-dimethylphenethylamine 101-47-3 2341 HMDB0015003 C07538 Chartreusin 6377-18-0 5281394 - C09181 2-((1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol 83002-04-4 5311056 - - Panthenol 81-13-0 4678 HMDB0004231 C05944 1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester 4450-98-0 54677973 - - PDGF Receptor Tyrosine Kinase Inhibitor IV 627518-40-5 | 627512-69-0 9797370 - - Glu-Met 4423-22-7 6426949 HMDB0028825 - N-Heptanoylhomoserine lactone 177158-20-2 443437 - - Dihydroxycarbazepine 35079-97-1 83852 HMDB0060568 C07495 Amiprilose 56824-20-5 | 60414-06-4 9798098 - - Ginkgotoxin 1464-33-1 76581 HMDB0029455 - Rebamipide 90098-04-7 | 111911-87-6 | 139344-42-6 5042 - - Thioperamide 106243-16-7 3035905 - C17933 Dexibuprofen 51146-56-6 39912 - - Lys-Ser-Glu 115633-61-9 195153 - - U-74389G maleate 153190-29-5 9896684 - - Ser-Gln 94421-66-6 7016082 - - 3',4'-Dimethoxyflavone 4143-62-8 688674 HMDB0246111 - Propoxur 114-26-1 4944 - - Fingolimod hydrochloride 162359-56-0 107969 - - N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid 7365-44-8 81831 - C05353 dl-O-Phosphoserine 17885-08-4 106 HMDB0001721 C01005 (2-Methoxy-benzoylamino)-acetic acid 13443-58-8 791250 HMDB0126552 - Prima-1 5608-24-2 322968 - C75635 Imperialine 61825-98-7 442977 - - 7,8,4'-Trimethoxyisoflavone 37816-21-0 6708732 - - (2E,4E)-11-Methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid 53092-52-7 5353760 - - Dihydro-5-pentyl-2(3H)-furanone 57084-16-9 7710 HMDB0031531 - Tebuthiuron 34014-18-1 5383 - C18436 Ononin 486-62-4 442813 HMDB0033987 C10509 Etifoxine 21715-46-8 135413553 - - (+/-)14(15)-Epetre methyl ester 73804-67-8 | 70219-56-6 11002157 - - (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide 183718-77-6 | 198022-70-7 6604822 - - Nagaba 128201-89-8 16759310 HMDB0062330 - Ganoderic acid A 81907-62-2 471002 HMDB0034931 - Beflubutamid 113614-08-7 6451159 - - 2-Hexadecanoylthio-1-ethylphosphorylcholine 60793-01-3 194114 - - Monocrotophos 6923-22-4 5371562 HMDB0031805 C18663 Phenylalanylleucine 3303-55-7 76808 - - Unoprostone 120373-36-6 5311236 - - Biotin sulfone 40720-05-6 83863 HMDB0004818 C20387 1,3,7,8-Tetramethylxanthine 832-66-6 64115 - - 3-Deaza-2'-deoxyadenosine 78582-17-9 122636 - - Terameprocol 24150-24-1 476861 - - Phorbol 12-myristate 13-acetate 16561-29-8 | 11016-13-0 27924 - C05151 3-Oxo-octanoic acid (2-oxo-tetrahydro-furan-3-YL)-amide 147795-39-9 127293 - - Pro-leu 52899-07-7 444109 - - 4-Methylumbelliferyl glucuronide 6160-80-1 91553 HMDB0240464 C11584 (1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone 137642-54-7 9929889 - - Ile-Val 41017-96-3 449407 HMDB0028920 - TG(8:0/8:0/8:0) 538-23-8 10850 HMDB0011187 C13044 Methylarsonate 51952-65-9 114800 - - Tyr-Pro-Phe 72122-59-9 4670740 - - Phe-Gly 721-90-4 6992304 HMDB0028995 - Marrubiin 465-92-9 73401 - C09128 Neostigmine 59-99-4 4456 HMDB0015472 C07258 Ethenodeoxyadenosine 68498-25-9 10945668 HMDB0001786 - Carbinoxamine 486-16-8 2564 HMDB0014886 C06871 Mepenzolate 25990-43-6 4057 HMDB0015591 C07818 Ginsenoside Rg3 14197-60-5 | 11019-45-7 9918693 - C20778 Thymotrinan 85465-82-3 3033953 - - 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine 113881-60-0 195048 - - (D-Pen2,D-Pen5)-Enkephalin 88373-73-3 104787 - C20164 Picoxystrobin 117428-22-5 11285653 - - Carmicheline 39089-30-0 441742 - C08693 Drometrizole 2440-22-4 | 2240-22-4 | 50815-99-1 17113 - - Anandamide 0-phosphate 183323-26-4 5283388 - - Diethyl adipate 141-28-6 | 68201-71-8 8844 - - (S)-14-Methylhexadecanoic acid 5746-59-8 22207 HMDB0031067 - 6-Benzylthioguanine 1874-58-4 74644 - - Esprocarb 85785-20-2 91740 - - Austricin 10180-88-8 6713966 - - Ibuprofen Acyl Glucuronide 115075-59-7 163959 HMDB0010343 - Carbamic acid, N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-2-methylphenyl]-, phenylmethyl ester 359714-55-9 9924775 - - His-Cys 116833-93-3 15294281 HMDB0028882 - Salirasib 162520-00-5 | 166445-40-5 5469318 - - 9-Amino-1,2,3,4-tetrahydroacridine bis 1,7-heptylene dihydrochloride 224445-12-9 9959612 - - Nervonic acid 506-37-6 5281120 HMDB0002368 C08323 Ethyl hexadecanoate 628-97-7 12366 HMDB0029811 - Propiconazole 60207-90-1 | 75881-82-2 43234 - - Metergoline 17692-51-2 28693 - - 5-Geranyloxy-7-methoxycoumarin 7380-39-4 6441377 HMDB0032954 - Cetraxate 34675-84-8 2680 - C01564 Alvocidib 146426-40-6 | 131740-09-5 5287969 - - Dethiobiotin 533-48-2 445027 HMDB0003581 C01909 Mefenorex 17243-57-1 | 111051-41-3 | 111051-42-4 21777 - - 1-Palmitoyl-2-pyrenedecanoylphosphatidylcholine 95864-17-8 196328 - - Verimol B 212516-35-3 45360335 HMDB0038323 - 2-Amino-2-[2-(3-azido-4-octylphenyl)ethyl]-1,3-propanediol 881914-35-8 11508523 - - Sudan II 3118-97-6 18386 - C19526 1H-Imidazol-1-ylacetic acid 22884-10-2 71771693 HMDB0029736 - 13,14-dihydro-15-keto-tetranor Prostaglandin D2 1204116-69-7 44600450 - - Diprogulic Acid 18467-77-1 | 68539-16-2 65420 - C18825 Propafenone 54063-53-5 4932 HMDB0015313 C07381 Pyrilamine 91-84-9 4992 HMDB0015639 C11798 2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide 107761-24-0 5353962 - - 3-(4-methoxyphenyl)-4-oxo-4H-chromene-5,7-diyl diacetate 54443-59-3 1403142 - - Vindesine 59917-39-4 40839 HMDB0014454 - Methylatropine nitrate 52-88-0 657381 - - gamma-Tocopherol 54-28-4 92729 HMDB0001492 C02483 Carbocyclic thromboxane A2 74034-56-3 5311387 - - Butoxycarboxim 34681-23-7 9571009 - C18646 5,7,8-Trimethoxy-3-(4-methoxyphenyl)chromen-4-one 13539-23-6 3279840 - - Pro-Val-Gly 67341-70-2 7408327 - - Ethidimuron 30043-49-3 91596 - C19092 (S,S)-(-)-Hydrobenzoin 2325-10-2 | 655-48-1 853020 - - Asulam 3337-71-1 18752 - C18350 Strophanthidin 66-28-4 6185 - C19988 Cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate 863223-43-2 25093347 - - Salannin 992-20-1 6437066 - - 7alpha,17alpha-Dimethyl-5beta-androstane-3alpha,17beta-diol 13611-10-4 15706076 HMDB0006013 - Cerubidin 73610-99-8 2958 HMDB0014832 - prostaglandin E2 1-glyceryl ester 37497-47-5 24778489 - - Chamissonolide 78853-98-2 10019140 - - Byakangelicin 482-25-7 | 19573-01-4 10211 - C09141 Levocarnitine propionate 20064-19-1 188824 HMDB0000824 C03017 trans-4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid 191282-48-1 9881506 - - S-1 Methanandamide 157182-50-8 5283423 - - Ser-Tyr 21435-27-8 7021866 - - Capsazepine 138977-28-3 2733484 - - 5beta-Cholestane-3alpha,7alpha,12alpha-triol 547-96-6 160520 HMDB0001457 C05454 Lys-Thr-Tyr 108191-44-2 92328002 - - Rotundine 2934-97-6 | 10097-84-4 5417 - - 5,7-Dimethoxyflavanone 1036-72-2 | 36052-66-1 378567 - - D-erythro-MAPP 143492-38-0 | 60847-25-8 124735 - - 3-hexanoyl-NBD Cholesterol 201731-19-3 57370056 - - His-Gly-Gly 32999-80-7 7020424 - - Betamethasone dipropionate 5593-20-4 21800 - - 1-((5-Chloronaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride 105637-50-1 108047 - - Pymetrozine 123312-89-0 9576037 - C18590 4-(2-Pyridylazo)-N,N-dimethylaniline 13103-75-8 81528 - - Chlorogenic Acid 202650-88-2 1794427 HMDB0003164 C00852 Bardoxolone methyl 218600-53-4 400769 - - Semaxanib 204005-46-9 | 194413-58-6 5329098 - - Bifenthrin 82657-04-3 5281872 - - Nandrolone 434-22-0 9904 HMDB0002725 C07254 6-Methyl-2-(p-tolylamino)-4H-benzo[d][1,3]oxazin-4-one 86672-58-4 848487 - - DMABA NHS Ester 58068-85-2 71312544 - - 1-Phthalazinamine, N-(3-chlorophenyl)-4-phenyl- 78351-75-4 1348 - - Sporidesmolide 1 2900-38-1 91617625 - - Cyprofuram 69581-33-5 50590 - C18909 Lathosterol 80-99-9 65728 HMDB0001170 C01189 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine 26662-95-3 9546747 HMDB0008928 C00350 Tiocarlide 910-86-1 3001386 - - Endorphine-2-trifluoroacetate 141801-26-5 5311081 HMDB0005774 - BQ-788 156161-89-6 16759603 - - 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)- 74219-29-7 36688143 - - Bitertanol 55179-31-2 91656 - - Nifenazone 2139-47-1 4487 - - Guanabenz 5051-62-7 5702063 HMDB0014767 C07034 Ginsenoside RG2 52286-74-5 21599924 HMDB0035395 - Citalopram 59729-33-8 2771 HMDB0005038 C07572 Methyl 1-methylpyrrole-2-carboxylate 37619-24-2 142178 - - Meprobamate 57-53-4 4064 HMDB0014515 - Lacosamide 175481-36-4 219078 - - N,N-Dimethyl-L-Valine 2812-32-0 11008044 - - Diphenoxylate 915-30-0 13505 HMDB0015213 C07872 Diacerein 13739-02-1 | 112118-18-0 26248 - - NT-2 toxin 76348-84-0 14274910 HMDB0036157 - Zeranol 26538-44-3 2999413 HMDB0032702 C14752 Erythrodiol 545-48-2 101761 HMDB0002360 - Caulophylline 63699-79-6 | 486-86-2 234566 - - Lys-Cys 106325-92-2 71816170 HMDB0028948 - Z-L-Phe chloromethyl ketone 26049-94-5 99625 - - Triphenylpropargylphosphonium bromide 2091-46-5 2724214 - - Benzamidine 618-39-3 2332 HMDB0248970 C01784 2-Benzylideneheptanal 122-40-7 1712058 HMDB0031313 C12288 4-Phenyl-1,2,3-thiadiazole 25445-77-6 270010 - - 2,5-Dimethoxystilbene 21889-09-8 | 122950-69-0 6183584 - - (1-Heptan-2-yl-2-methylindol-3-yl)-naphthalen-1-ylmethanone 155471-13-9 44368442 - - Glyc-Pro 704-15-4 79101 HMDB0000721 - 7-Hydroxycoumarinyl Arachidonate 161180-11-6 35025479 - - Azasetron 123040-69-7 | 123039-99-6 2264 - - N-acetylsphingosine 3102-57-6 | 195194-58-2 5497136 - - Buflomedil 55837-25-7 2467 - - Dimethyl adipate 627-93-0 12329 HMDB0041606 C14570 N-Benzyloxycarbonyl-L-leucine 2018-66-8 74840 - C04335 Ethiofencarb 29973-13-5 34766 HMDB0031782 C18649 1-(2-Trifluoromethylphenyl)imidazole 25371-96-4 1359 - - 4,5-Diaminofluorescein diacetate 205391-02-2 6603693 - - 5-(Tetradecyloxy)-2-furoic acid 54857-86-2 115175 - - Lificiguat 170632-47-0 | 154453-18-6 5712 - - Arprinocid 55779-18-5 41574 - C75620 Epiafzelechin trimethyl ether 3143-21-3 6708630 - - 2-Aminoethyl diphenylborinate 524-95-8 1598 - C20698 (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)icosa-5,8,11,14-tetraenamide 166100-37-4 5283436 - - Tulobuterol 41570-61-0 5606 - - Isoetharine 530-08-5 3762 HMDB0014366 C07053 Quipazine 4774-24-7 | 130895-61-3 5011 - - Latanoprost 130209-82-4 5311221 HMDB0014792 - N-[2-(Methylamino)ethyl]-5-isoquinolinesulfonamide dihydrochloride 113276-94-1 150584 - - Tyrosyltyrosine 1050-28-8 70590 HMDB0029117 - Quinalphos 13593-03-8 26124 - - Oleandrin 465-16-7 11541511 - C19987 Ergocalciferol 50-14-6 5280793 HMDB0000900 C05441 2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid 144060-98-0 1483713 - - Naphazoline 835-31-4 4436 HMDB0015656 - Linarin 480-36-4 5317025 - - Glycerophospho-N-Palmitoyl Ethanolamine 100575-09-5 53393933 - C00350 3',4'-Dimethoxyacetophenone 1131-62-0 14328 HMDB0301758 - Siduron 1982-49-6 16116 - C18435 Buprenorphine 52485-79-7 644073 HMDB0015057 C08007 1-(3,4-Dimethoxyphenyl)propan-1-one 1835-04-7 15781 - - 3-Hydroxy-5-cholestenoic acid 6561-58-6 165511 HMDB0012453 C17333 Lysyllysyllysine 13184-14-0 | 25988-63-0 72363 - - Veliparib 912444-00-9 11960529 - - 2,2-Bis(4-hydroxy-3-methylphenyl)propane 79-97-0 6620 - - N-octanoylsphingosine 1-phosphate 158983-53-0 10864091 - - Butorphanol 58786-99-5 5361092 HMDB0014749 C06863 N-[(3s)-2-Oxotetrahydrofuran-3-Yl]hexanamide 147852-83-3 10058590 - C21197 Rauwolscine 131-03-3 | 112350-93-3 643606 - - Fexofenadine 83799-24-0 | 138452-21-8 3348 HMDB0005030 C06999 Zeaxanthin 144-68-3 5280899 HMDB0002789 C06098 Glycyl-tyrosyl-lysine 91290-35-6 192230 - - (20R,22R)-20,22-Dihydroxycholesterol 596-94-1 6453841 - C05501 Unii-4S7U3Q8S6W 824959-83-3 45268707 - - Diltiazem 42399-41-7 39186 HMDB0014487 C06958 Tosufloxacin 100490-36-6 | 108138-46-1 5517 - - 1-O-trans-Cinnamoyl-beta-D-glucopyranose 40004-96-4 5280653 - C04164 Glyceryl arachidonate 35474-99-8 5282281 HMDB0011578 C01885 24-epi-Brassinolide 72962-43-7 443055 HMDB0034081 C11049 4(5)-EpDPE methyl ester 121818-29-9 14428012 - - Primin 15121-94-5 84800 - - Glycolithocholic acid 474-74-8 115245 HMDB0000698 C15557 Bifemelane 90293-01-9 2377 - - Sinefungin 58944-73-3 65482 - - Thioisonicotinamide 2196-13-6 2723788 - - Cyanophos 2636-26-2 17522 - C18397 Tetramisole 5036-02-2 | 6649-23-6 | 49548-36-9 3913 - - DL-3-Phenyllactic acid 7326-19-4 3848 HMDB0000563 C05607 1-Acetylindole 576-15-8 68470 - - (3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile 134036-53-6 5328748 - - Dipropyl phthalate 131-16-8 8559 - - 11,14-Eicosadienoic acid 2091-39-6 5282805 - - 2-Arachidonoylglycerol 53847-30-6 5282280 HMDB0004666 C13856 LPC(18:0/0:0) 19420-57-6 497299 HMDB0010384 C00157 C22 Sulfatide 265096-83-1 24779582 HMDB0012316 C06125 (E) 9-octadecen-1-ol 506-42-3 5367665 - - Psilocybine 520-52-5 10624 - C07576 1-Naphthyl glucuronide 17238-47-0 | 27710-10-7 114851 - - 19-Norandrosterone 1225-01-0 9548753 HMDB0002697 - Tetrahydrodeoxycorticosterone 567-03-3 101771 HMDB0000879 C13713 2-(1h-1,2,4-triazol-5-yl)-1h-isoindole-1,3(2h)-dione 59208-47-8 221080 - - Propyrazol 263717-53-9 5040063 - - Minoxidil 38304-91-5 4201 HMDB0014508 - Dihydrotanshinone I 87205-99-0 11425923 - - 2S-Amino-4E-pentadecene-1,3R-diol 86555-28-4 91886102 - - alpha-Tocopherol acetate 58-95-7 | 52225-20-4 | 54-22-8 | 1406-70-8 | 12741-00-3 | 133-80-2 | 1407-18-7 | 26243-95-8 86472 - C13202 Zopiclone 43200-80-2 5735 HMDB0015329 - 4'-Methoxy-alpha-pyrrolidinopropiophenone 478243-09-3 6430836 - - Valylserine 13588-94-8 139506 HMDB0029136 - Phe-Phe 2577-40-4 6993090 - - 2-Methylbenzhydrol 5472-13-9 95659 - - Lithospermic acid 28831-65-4 6441498 - - Leu-Gly-Gly 1187-50-4 70910 - - O-Desmethyltramadol 144830-14-8 9838803 HMDB0060997 - Crotamiton 483-63-6 688020 HMDB0014410 D01381 (2-Chlorophenyl)(phenyl)methanol 6954-45-6 235819 - - 5-Bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid 4906-68-7 268734 - - Tomelukast 88107-10-2 3969 - - F-amidine 877617-45-3 11589584 - - 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one 314245-33-5 675434 - - 8-[(1r,2r,5r)-2-(2-Carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid 24769-56-0 161468 - - Ruscogenin 472-11-7 441893 - C08909 Djenkolic acid 498-59-9 68134 - C08275 Ethyl arachidonate 1808-26-0 5367369 - - Labetalol 36894-69-6 | 32780-40-8 3869 HMDB0014736 C07063 | C74903 11alpha-Hydroxytestosterone 426212 11954152 - - L-NIL dihydrochloride 159190-45-1 16760592 - - N-Acetylneuraminic acid 19342-33-7 445063 HMDB0000230 C19910 2-(9h-Carbazol-9-yl)benzoic acid 6286-88-0 223060 - - L-Tyrosine ethyl ester 949-67-7 | 23234-44-8 70364 - C01458 Methylprednisolone 83-43-2 6741 HMDB0015094 - Dexamethasone phosphate 312-93-6 9400 - - 2'-Deoxyguanosine-5'-diphosphate 102783-74-4 135398595 HMDB0000960 C00361 1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one hydrochloride 896-22-0 6444496 - - Pipamperone 1893-33-0 4830 - - Pyrantel 15686-83-6 | 5686-02-2 708857 - C07409 Methyl ricinoleate 141-24-2 | 41989-07-5 5354133 - - Erucic acid 112-86-7 5281116 HMDB0002068 C08316 Benzthiazuron 1929-88-0 16007 - C19058 PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 132196-28-2 10485310 HMDB0039528 C00157 Crotetamide 6168-76-9 | 604-64-8 5368010 - - 3,4,5-Trimethoxybenzoic Acid 118-41-2 8357 HMDB0033839 - Glu-Tyr-Glu 32140-46-8 49864325 - - Isouron 55861-78-4 41648 - C18432 Disogluside 14144-06-0 11827970 HMDB0029310 C20709 4-oxo 2-Nonenal-d3 1313400-91-7 53381675 - - Prostaglandin E2 isopropyl ester 71845-66-4 71684700 - - Dapt 208255-80-5 5311272 - - Kinetin 525-79-1 3830 HMDB0012245 C08272 Senkirkine 2318-18-5 5281752 - - Ercalcitriol 60133-18-8 9547243 HMDB0006225 - Amidosulfuron 120923-37-7 91777 - - Inabenfide 82211-24-3 92401 - - 4-Hydroxytoluene sulfonamide 1185112-19-9 3656 HMDB0006408 C00365 Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester 873079-69-7 15950454 - - 4,4'-Diaponeurosporene 53872-50-7 6443791 - - Daporinad 658084-64-1 | 201034-75-5 6914657 - - 7-Ketocholesterol 566-28-9 91474 HMDB0000501 - beta-Sitosterol 83-46-5 222284 HMDB0000852 C01753 1,3-Dimethyluric acid 944-73-0 70346 HMDB0001857 - Acetaminosalol 118-57-0 1984 - - N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine 108392-10-5 6443882 HMDB0012101 - 3,4-Dihydroxymandelic acid 775-01-9 85782 HMDB0001866 C05580 Adiphenine 64-95-9 2031 - - Sulfanitran 122-16-7 5334 - C71835 Delphinidin 3,5-diglucoside 17670-06-3 10100906 HMDB0030693 C16312 1-(6-((3-Methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione 112648-68-7 104794 - - 2,3-dinor Prostaglandin E1 7046-40-4 16061101 - - Sumatriptan 103628-46-2 5358 HMDB0005037 C07319 Milnacipran 92623-85-3 65833 HMDB0015602 - Propan-2-yl 7-{(1R,2R,3S,5S)-2-[(3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-en-1-yl]-3-fluoro-5-hydroxycyclopentyl}hept-5-enoate 208114-93-6 71433616 - - Convolamine 500-56-1 420422 - C10854 O-Toluidine 95-53-4 7242 HMDB0041965 C14403 Octadecylphosphocholine 65956-63-0 125219 - - Sulbentine 350-12-9 67686 - - alpha-Asarone 2883-98-9 636822 HMDB0031469 C17846 Leu-Val-Leu 58337-01-2 11515702 - - Methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-4-hydroxybenzoate 934593-90-5 16124726 - C77209 Protoporphyrin IX dimethyl ester 5522-66-7 194637 HMDB0000810 - Syrosingopine 84-36-6 6769 - - Butyrylcarnitine 25576-40-3 213144 HMDB0002013 C02862 Thiodicarb 59669-26-0 9601227 - - Bupropion 34841-39-9 444 HMDB0001510 C06860 Gentiopicroside 20831-76-9 88708 - C09782 Nitrofurazone 59-87-0 5447130 HMDB0014480 C08042 Heudelottin C 11052-28-1 15559719 - - [(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate 195513-96-3 35027274 - - N-(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraen-1-yl-4-hydroxybenzamide 251908-92-6 10364179 - - Mitoglitazone 146062-49-9 10429242 - - 15-Oxoprostaglandin E1 22973-19-9 5280710 HMDB0001320 C04654 4-(Aminomethyl)pyrimidine 45588-79-2 12933348 - - Janex-1 202475-60-3 3794 - - 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine 105650-23-5 1530 HMDB0041008 C16038 Farnesylacetone 1117-52-8 | 762-29-8 1711945 - - Bromobutide 74712-19-9 53079 - - tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate 1045792-66-2 24951314 - - Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)- 67-96-9 46173763 HMDB0015203 C06957 4-Hydroxyindole 2380-94-1 75421 - C02040 Betulin 473-98-3 72326 HMDB0036838 C08618 Amorolfine hydrochloride 78613-38-4 | 106614-68-0 54259 - - Caffeyl alcohol 3598-26-3 | 272785-02-1 5282096 HMDB0141765 - Khivorin 2524-38-1 21596331 - - Dobutamine 34368-04-2 36811 HMDB0014979 C06967 11-Dehydro-2,3-dinor-txb2 79250-60-5 35024530 - - Butylone 802575-11-7 56843046 - - 7-Dehydrocholesterol 434-16-2 439423 HMDB0000032 C01164 Dihomo-gamma-linolenic acid 1783-84-2 5280581 HMDB0002925 C03242 (3-Acrylamidopropyl)trimethylammonium Chloride 45021-77-0 170750 - - N-[2-(3,4-Dihydroxyphenyl)ethyl]hexadecanamide 136181-87-8 16759163 - - estrone 3-sulfate 481-97-0 3001028 HMDB0001425 C02538 Butylate 2008-41-5 16181 - - Gibberellin A7 510-75-8 92782 - - 8-Cyclopentyl-1,3-dipropylxanthine 102146-07-6 1329 - - Fumagillol 108102-51-8 222778 - - Gentian violet cation 14426-25-6 3468 HMDB0014550 - Ormetoprim 6981-18-6 23418 - - Androstenol 1153-51-1 101989 HMDB0005935 - Acetylsulfamethoxazole 21312-10-7 65280 HMDB0013854 C13061 2-Hexyldecanoic acid 25354-97-6 32912 - - Ilomastat 142880-36-2 132519 - - Ascomycin 104987-12-4 | 11011-38-4 5282071 - - 15-Deoxy-delta-12,14-prostaglandin J2 87893-55-8 5311211 HMDB0005079 C14717 Populin 99-17-2 92735 - - 7,10,13-Hexadecatrienoic acid methyl ester 56554-30-4 556196 - - Neochlorogenic acid 906-33-2 5280633 HMDB0240477 C17147 Physostigmine 57-47-6 5983 HMDB0015116 C06535 12-Oxo-2,3-dinor-10,15-phytodienoic acid 197247-23-7 131751254 HMDB0032090 - Cypmpo 934182-09-9 16046145 - - Deferoxamine 70-51-9 2973 HMDB0014884 C06940 24(S)-hydroxycholesterol 474-73-7 121948 HMDB0001419 C13550 Nandrolone decanoate 360-70-3 9677 HMDB0015694 C08154 Arachidonoyl-N,N-dimethyl amide 45280-17-9 5283408 - - Anabasamine 20410-87-1 | 400738-05-8 161313 - - acetyl-Tyr-Val-Ala-Asp-chloromethylketone 178603-78-6 9915279 - - Pipemidic acid 51940-44-4 4831 HMDB0041989 - Tetrahydrocortisone 19483 5866 HMDB0000903 C05470 Dehydroabietinol 3772-55-2 15586718 - - 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one 167869-21-8 4713 HMDB0244751 C01555 Ropinirole 91374-21-9 5095 HMDB0014413 C07564 11-Aminoundecanoic acid 2432-99-7 | 25035-04-5 | 25587-80-8 17083 HMDB0032669 C19325 cis-5,8,11,14,17-Eicosapentaenoic acid methyl ester 2734-47-6 6421261 - - Gly-Ala-Ser 74006-07-8 24944862 - - Ethylene-glycol-salicylate 87-28-5 6880 - - Cefadroxil 66592-87-8 47965 HMDB0015271 C06878 Phenethylamine 64-04-0 1001 HMDB0012275 C05332 Hydroxyvalerenic Acid 1619-16-5 6537505 HMDB0036563 - N-Desmethyltamoxifen 31750-48-8 6378383 HMDB0013866 C16546 (Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide 616884-63-0 6604915 - - Phenthoate 2597-03-7 | 61391-87-5 | 61361-99-7 | 61362-00-3 17435 - - 5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one 58130-91-9 5386959 HMDB0136142 - Tetraphenylphosphonium 18198-39-5 164912 - - Senecionine 130-01-8 5280906 - C06176 Glu-Thr 6875-80-5 6998031 HMDB0028829 - Ala-Ser 3303-41-1 1549433 - - Dapiprazole 72822-12-9 3033538 HMDB0014443 - Skullcapflavone II 55084-08-7 124211 - - 4-(Dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide 251456-60-7 3994 - C74302 Methyltestosterone 58-18-4 6010 HMDB0015655 C07198 Sufentanil 151590-36-2 41693 HMDB0014846 C08022 24,25-Dihydroxycholecalciferol 40013-87-4 6434253 HMDB0000430 - 3,4-Dicaffeoylquinic acid 14534-61-3 5281780 HMDB0030705 C10468 Soyasapogenol A 508-01-0 12442849 HMDB0034505 C17419 L-Asparaginyl-L-lysine 22677-58-3 16122521 - - 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 144371-69-7 9547058 HMDB0005779 C00350 Inositol 1,3-bisphosphate 103597-56-4 128419 HMDB0006234 C04062 Esculin 531-75-9 5281417 HMDB0030820 C09264 Clonidine 4205-90-7 2803 HMDB0014714 - 5,8,11-Eicosatrienoic acid 20590-32-3 5312531 HMDB0010378 C21938 Kenpaullone 142273-20-9 3820 - - (2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanal 186689-07-6 6711157 - - Streptovaricinal C 54955-14-5 135478605 - - 2-(2-Naphthoxy)propionic acid methyl ester 30406-75-8 443228 - - Dimethindene 5636-83-9 21855 HMDB0015691 - (E)-4-Amino-2-butenoic acid 38090-53-8 | 25747-40-4 5310987 - - Fasciculic acid C 126882-56-2 45783123 HMDB0036440 - 2-Diphenylmethylpiperidine 519-74-4 160506 - - Cyasterone 17086-76-9 119444 - C08816 1-(4-Hydroxyphenyl)-2-methyl-2-methylaminoethanol hydrochloride 7437-54-9 | 74217-46-2 3084014 - - Rifampicin 13292-46-1 135398735 HMDB0015179 C06688 Cholesteryl acetate 604-35-3 2723897 HMDB0003822 - (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione 2767-84-2 1549179 - - 5,11-Dihydroindolo[3,2-b]carbazole-6-carbaldehyde 229020-82-0 1863 - C73318 Nomifensine maleate 32795-47-4 | 24524-90-1 5358907 - - 11-Ketotestosterone 564-35-2 | 87583-72-0 5282365 - - Reciniferatoxin 57444-62-9 5702546 - - Fenothiocarb 62850-32-2 44178 - - Demeton-S-methylsulphon 17040-19-6 28213 - C18979 20-Hydroxy-PGE2 57930-95-7 5283034 HMDB0003247 - Etiocholanolone glucuronide 621890 443078 HMDB0004484 C11136 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluoro-5-bromobenzamide 212631-67-9 9937619 - - Octrizole 3147-75-9 | 123307-21-1 | 52188-76-8 62485 - - Purmorphamine 483367-10-8 5284329 - - Chlordiazepoxide 58-25-3 2712 HMDB0014618 - Sclareolide 564-20-5 929262 HMDB0035293 - 1-Amino-3,3-diethoxypropane 41365-75-7 521029 - - 1-Cinnamoylpiperidine 5422-81-1 764160 - - 2-(Ethylsulfinylmethyl)phenyl methylcarbamate 53380-22-6 3035207 HMDB0040289 - trans-Dideoxyclovamide 77201-66-2 15825666 HMDB0039502 - Fumonisin b1 116355-83-0 2733487 HMDB0034702 - Bispyribac 125401-75-4 443031 - - Allopurinol riboside 16220-07-8 135407110 HMDB0000481 - Cinobufotalin 1108-68-5 259776 - - (1S)-Deltamethrin 64364-03-0 13013603 HMDB0041866 - Butyl linoleate 2634-45-9 6436910 - - Levoglucosan 498-07-7 2724705 HMDB0000640 - Alteichin 88899-62-1 125848 - C10295 Lupenone 1617-70-5 92158 - C16990 1-Tert-butoxy-2-propanol 57018-52-7 92629 - C19356 Polyporusterone A 141360-88-5 10814524 HMDB0038495 - Prostaglandin D2 Ethanolamide 398138-28-8 5283120 HMDB0013629 - Tripelennamine 91-81-6 5587 HMDB0014930 C07180 Thymopentin 69558-55-0 451417 - - Santonin 481-06-1 221071 - C02206 Acebutolol 37517-30-9 1978 HMDB0015324 C06803 Zotepine 26615-21-4 5736 - - 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol 64284-64-6 443212 HMDB0001023 C11455 Isocarboxazid 59-63-2 3759 HMDB0015377 - 11,12-Methyleneoctadecanoic acid 503-06-0 10417 - - Prosta-5,13-dien-1-oic acid, 11-hydroxy-9,15-dioxo-, (5Z,8beta,11alpha,13E)- 914804-63-0 53477750 HMDB0002341 - 3-Aminosalicylic acid 570-23-0 68443 HMDB0001972 - 3-(3-Methoxyphenyl)Propionic Acid 10516-71-9 66336 HMDB0011751 - 3-Vinyl-1,2-dithiacyclohex-4-ene 62488-52-2 525328 - - gamma-Undecalactone 104-67-6 7714 HMDB0038311 C08571 Friedelin 559-74-0 91472 - C08626 3-[(1-Carboxyvinyl)oxy]benzoic acid 16929-37-6 23844017 - C20772 Bovinic acid 2540-56-9 5280644 HMDB0003797 C04056 alpha-Pyrrolidinopropiophenone 19134-50-0 209045 - - Catalpol 2415-24-9 91520 - - Amitriptyline 50-48-6 2160 HMDB0014466 C06824 Homotropine 87-00-3 | 114173-36-3 3623 - - Einecs 234-275-5 11050-94-5 5281900 - - Benfuresate 68505-69-1 3034378 - C18452 Manoalide 75088-80-1 6437368 - C17156 2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone 864445-58-9 44397532 - - 7-Xylosyltaxol B 90352-19-5 73157312 - - 2-[3-[(4-ethoxycarbonylphenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienyl]acetic Acid 78028-01-0 2601 - - Gly-Gly-Ile 69242-40-6 7020346 - - Tyrphostin B44, (-) enantiomer 133550-32-0 5328772 - - Batyl alcohol 544-62-7 | 68990-53-4 3681 - - N-Acetylcysteine 616-91-1 12035 HMDB0001890 C06809 Isopropyl hexadecanoate 142-91-6 8907 HMDB0035474 - Ergosterol 57-87-4 444679 HMDB0000878 C01694 2,4,14-Eicosatrienoic acid isobutylamide 151391-70-7 10338645 HMDB0032032 - Benfluorex 23602-78-0 2318 - - Isorhynchophylline 1811243 3037048 - C16980 Fasciculic acid B 126882-55-1 14506482 HMDB0036438 - Alverine 150-59-4 3678 HMDB0015554 - NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside 28512-70-1 51136558 HMDB0037261 - Cordycepin 73-03-0 6303 - C08431 Sesamin 607-80-7 72307 HMDB0034256 C10882 Soyasapogenol B 595-15-3 115012 HMDB0034648 C08980 Benzimidazole 51-17-2 5798 HMDB0248993 C02009 8,9-Epoxyeicosatrienoic acid 81246-85-7 5283203 HMDB0002232 C14769 Fenretinide 65646-68-6 5288209 - - Psammaplin A 110659-91-1 6400741 - - 1,2-Dilinoleoyl-SN-glycero-3-phosphocholine 998-06-1 5288075 HMDB0008138 C00157 Ginsenoside Rh1 63223-86-9 12855920 - C22129 Dicyclomine 77-19-0 3042 HMDB0014942 C06951 2-azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate 383907-18-4 46891779 HMDB0008993 C00350 Protohypericin 548-03-8 164660 HMDB0034180 - L-Alanyl-L-methionine 14486-05-6 85744 HMDB0028693 - N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine 16858-02-9 5519 - - Hydroxytyrosol 10597-60-1 82755 HMDB0005784 - 2',3'-DIDEOXYCYTIDINE 7481-89-2 24066 HMDB0015078 C07207 Monoacetyldapsone 565-20-8 11257 - - 11beta-Hydroxyprogesterone 600-57-7 101788 HMDB0004031 C05498 1-Eicosene 3452-07-1 | 27400-78-8 | 27323-11-1 | 52439-84-6 18936 - - Glu-Cys 21566-73-4 10171468 HMDB0028816 - Phenyl beta-D-galactopyranoside 2818-58-8 102336 - C02578 3-methoxy Prostaglandin F1alpha 54432-43-8 91885952 - - 11beta-Hydroxyetiocholanolone 739-26-4 101849 - - O-Methylsterigmatocystin 17878-69-2 104940 HMDB0030589 C03686 Cyclopamine 4449-51-8 | 11051-96-0 442972 - C10798 7alpha-Hydroxy-4-cholesten-3-one 3862-25-7 123743 HMDB0001993 C05455 4-Hydroxyestrone 3131-23-5 9971251 - - Tomatidine 77-59-8 65576 HMDB0034731 - 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione 1469-94-9 73849 - C22066 Octadecylamine 124-30-1 15793 HMDB0029586 - Benzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide, 3,5-dihydro-5-methyl-N-3-pyridinyl- 158942-04-2 5163 - - N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 869376-90-9 11495398 - - Carnosic acid 3650-09-7 | 139236-75-2 65126 HMDB0002358 C21818 Empenthrin 54406-48-3 6434488 - C18524 Methylthiouracil 56-04-2 | 1123-10-0 | 91795-77-6 667493 - C19265 N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amine 55778-02-4 11565518 - - 2-Amino-4-chloro-6-methylpyrimidine 5600-21-5 21810 - - Imolamine 318-23-0 27501 - - Etalocib 161172-51-6 | 152608-41-8 177941 - - Avenanthramide A 108605-70-5 5281157 HMDB0038577 C08472 Iprovalicarb 140923-17-7 10958189 - C18866 Edifenphos 17109-49-8 28292 HMDB0031781 C14436 Tibolone 5630-53-5 444008 - - Nifurtimox 23256-30-6 | 39072-15-6 | 39072-16-7 6842999 - C08002 Lys-Trp-Lys 38579-27-0 161970 - - Benproperine 2156-27-6 2326 - - Prostaglandin E2 p-benzamidophenyl ester 57790-53-1 90473691 - - Solasodine 126-17-0 442985 HMDB0035282 C10822 Tetrabutylammonium 10549-76-5 16028 - - 5beta-Androstane-3alpha,17beta-diol 1851-23-6 134494 HMDB0000551 - 1-Benzyl-3-cetyl-2-methylimidazolium iodide 278603-08-0 10436839 - C74441 Thiocholesterol 1249-81-6 65075 - - beta-Amyrone 638-97-1 12306160 - - Simetryn 1014-70-6 13905 - - Nelfinavir 159989-64-7 64143 HMDB0014365 C07257 Thalsimine 5525-36-0 362568 - C09661 (24S)-24,25-Dihydroxyvitamin D3 55700-58-8 5283749 - - 3',5'-Cyclic dtmp 6453-60-7 12359154 - - Idarubicin 58957-92-9 42890 HMDB0015308 - Virodhamine hydrochloride 443129-35-9 16079019 HMDB0013655 - Zymosterol 128-33-6 92746 HMDB0006271 C05437 4,4'-Methylenebis(2-methylaniline) 838-88-0 13283 - C19260 7-Methoxyflavanone 21785-09-1 2825024 - - (2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate 78858-44-3 127599 - C00157 Scopolin 531-44-2 439514 - C01527 alpha-D-Galactosamine 1-phosphate 35946-79-3 493587 - C22029 His-Trp-Gly 89032-48-4 71408078 - - Neotigogenin acetate 4948-43-0 313012 - - Fenpiclonil 74738-17-3 91724 - - Leukotriene B4 ethanolamide 877459-63-7 5283127 HMDB0002304 - Docosahexaenoic acid methyl ester 2566-90-7 6421262 - - Pristanic acid 1189-37-3 123929 HMDB0000795 - Famprofazone 22881-35-2 3326 HMDB0041891 - R-2 Methanandamide 157182-47-3 10361237 - - LPE(18:0/0:0) 69747-55-3 9547068 HMDB0011130 C00157 2-(Acetyloxy)-3-methylbenzoic acid 4386-39-4 78094 - - cis-3-Hexenyl tiglate 67883-79-8 15461361 HMDB0038279 - Glutaral 111-30-8 3485 HMDB0029599 C12518 Agnuside 11027-63-7 442416 HMDB0036561 C09765 4-phenyl-5-methyl-1,2,3-Thiadiazole 64273-28-5 338037 - - alpha-Eleostearic acid 506-23-0 5281115 - C08315 Silicristin 33889-69-9 441764 - C08717 Cyclic AMP 60-92-4 6076 HMDB0000058 C00575 2-Hydroxy-6-pentadecylbenzoic acid 16611-84-0 167551 HMDB0029683 C10759 Mupirocin 12650-69-0 446596 HMDB0014554 C11758 3-(N-maleimidopropionyl)-biocytin 102849-12-7 127195 - - Azoxystrobin 131860-33-8 | 215934-32-0 3034285 - C18558 Ethyl palmitoleate 56219-10-4 6436624 - - H-Tyr-tyr-tyr-OH 7390-78-5 14717800 - - (4S)-6-Methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol 487-27-4 443009 - C10866 D-Glucosylsphingosine 52050-17-6 5280570 HMDB0000596 C03108 Eicosapentaenoyl Serotonin 199875-71-3 91746210 - - 4'-Hydroxywarfarin 24579-14-4 54682146 HMDB0140989 - Orlistat 96829-58-2 3034010 HMDB0015215 D04028 Isopropyl linoleate 22882-95-7 5352860 - - (24E)-24-N-Propylidenecholesterol 17605-67-3 | 18472-36-1 5281328 HMDB0030021 C08817 {5-Chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl}acetic acid 916047-16-0 15949395 - - Menatetrenone 863-61-6 5282367 HMDB0030017 C00828 Nitroarginine 2149-70-4 440005 - C03417 cis-11-Methyl-2-dodecenoic acid 677354-23-3 11469920 - C18206 Corticosterone acetate 1173-26-8 255846 - - Bupivacaine 2180-92-9 2474 HMDB0014442 C07529 Tyr-Gly 673-08-5 7021854 HMDB0029105 - Retinyl propionate 7069-42-3 6394572 - - beta-Elemolic acid 28282-54-4 4481462 HMDB0034961 - 13,14-Dihydro PGE1 19313-28-1 161273 HMDB0002689 - N-Oleoyldopamine 105955-11-1 5282106 - - Cholesta-4,6-dien-3-one 566-93-8 3034666 HMDB0002394 - 1-(4-Fluorobenzyl)piperazine dihydrochloride 199672-06-5 12679862 - - Conessine 546-06-5 441082 - C06545 L-Prolyl-L-methionine 52899-08-8 7408173 HMDB0029023 - Testosterone cypionate 58-20-8 441404 - C08156 8-Hydroxy-2'-deoxyguanosine 88847-89-6 135440064 HMDB0003333 - 3'-Adenylic acid 84-21-9 41211 HMDB0003540 C01367 Isotretinoin 4759-48-2 5282379 HMDB0006219 C07058 Docosanamide 3061-75-4 76468 HMDB0000583 - 3'-N-Acetylneuraminyl-N-acetyllactosamine sodium salt 81693-22-3 102601300 - - Carpropamid 104030-54-8 153847 - - Apocarotenal 1107-26-2 5478003 HMDB0036886 C19728 Tacrolimus 104987-11-3 445643 HMDB0015002 C01375 Carbamyl 116-06-3 2086 - - Lanosterol 79-63-0 246983 HMDB0001251 C01724 Pivalanilide 6625-74-7 81103 - - Tolfenpyrad 129558-76-5 10110536 - C18491 Pazufloxacin 127045-41-4 | 127046-18-8 65957 - - Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio- 4921-83-9 701011 - - N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine 221529-58-4 9839644 - C74126 Pebulate 1114-71-2 14215 - C18755 C-12 NBD-dihydro-Ceramide 474943-05-0 71311688 - - Oleyl alcohol 143-28-2 5284499 HMDB0029632 - Sclerotiorin 549-23-5 6436015 - - Tyr-Gly-Gly 21778-69-8 123715 - - 2-Isopropylmalic acid 3237-44-3 77 - - 8-Amino-7-oxononanoic acid 4707-58-8 173 HMDB0037790 C01092 MET-enkephalin 58569-55-4 443363 - C75740 alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol 24155-42-8 32238 - - 1-(4-Fluorophenyl)piperazine dihydrochloride 64090-19-3 16211916 - - Desmethyldoxepin 58534-46-6 5353833 HMDB0060840 - 10-Methylundecanoic acid 2724-56-3 75942 - - D-Myo-inositol-2,4,5-triphosphate 91840-07-2 122195 - - Hexanolamino PAF C-16 137566-83-7 132080 - C00157 Diethyl sebacate 110-40-7 8049 HMDB0040429 - Calpeptin 117591-20-5 73364 - - Ethyl linoleate 544-35-4 5282184 - - Secalciferol 55721-11-4 5283748 HMDB0006226 - Napelline 5008-52-6 441749 - C08700 H-Lys-Tyr-Lys-OH Acetate salt 35193-18-1 71308588 - - Norpropoxyphene 66796-40-5 18804 HMDB0041962 - Jervine 469-59-0 10098 - - Campesterol 474-62-4 173183 HMDB0002869 C01789 [4-Hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate 39011-90-0 162355 - - 13-HODE 29623-28-7 6443013 HMDB0004667 C14762 5-Nonadecyl-1,3-benzenediol 35176-46-6 161858 HMDB0030956 - Lenticin 487-58-1 442106 HMDB0061115 C09213 5-Iodo-2'-deoxycytidine 611-53-0 65050 - - cis-ACCP 777075-44-2 44457233 - - N-Methyldioctylamine 4455-26-9 78202 - - Saracatinib 379231-04-6 10302451 - - Pro-Pro-Gly 16875-10-8 152199 - - Ciprofloxacin 85721-33-1 2764 HMDB0014677 C05349 N,N-Diallyl-5-methoxytryptamine 928822-98-4 50878551 - - Butein 487-52-5 | 21849-70-7 5281222 - C08578 (R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 5399-41-7 219835 - - 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride 3039-71-2 9954082 - - N-Acetyl-S-geranylgeranyl-L-cysteine 139332-94-8 11575713 - - D-Erythrose 4-phosphate 585-18-2 122357 HMDB0001321 C00279 6-[(3Z,6Z,9Z)-1-hydroxypentadeca-3,6,9-trienyl]oxan-2-one 213126-92-2 71684443 - - N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide 391210-10-9 | 391209-97-5 9826528 - - Oxeladin 468-61-1 4619 - - Desogestrel 54024-22-5 40973 HMDB0014449 C07629 Estazolam 29975-16-4 3261 HMDB0015346 C06981 S-Bioallethrin 28434-00-6 62829 - - Deoxyuridine-5'-diphosphate 4208-67-7 145729 HMDB0001000 C01346 Guanfacine 29110-47-2 3519 HMDB0015153 C07037 Gluconolactone 90-80-2 7027 HMDB0000150 C00198 Calcipotriol 112965-21-6 5288783 HMDB0015567 - Cauloside C 20853-58-1 13878151 - C17547 Pantoic acid 1112-33-0 439251 HMDB0240389 C00522 Glucose isomerase from streptomyces rubiginosus 9055-00-9 1151718 HMDB0032295 - Angiotensin I/II (5-8) 34233-50-6 9806448 - C20972 1,4-Dibenzylpiperazine 1034-11-3 200601 - - 2-Butoxyethanol 111-76-2 8133 HMDB0031327 C19355 Archangelicin 2607-56-9 5281371 HMDB0030845 - Prenylamine 390-64-7 9801 - - Pyrethrosin 28272-18-6 5281496 - C09536 Dolastatin 16 192214-57-6 177386 - - Budesonide 51333-22-3 5281004 HMDB0015353 - Escitalopram oxalate 219861-08-2 146571 - - 1-Kestose 470-69-9 440080 HMDB0011729 C03661 2-Methyl-4-phenylthiazole 1826-16-0 584377 - - 3-Hydroxytetradecanoic acid 1961-72-4 | 3422-31-9 16064 HMDB0061656 - (1Z,13S,14R,15E)-1-Anthracen-9-yl-14-hydroxy-13-(hydroxymethyl)nonacosa-1,15-dien-12-one 1263052-40-9 125462772 - - Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone 335160-66-2 10293794 - - Gentianose 25954-44-3 117678 HMDB0034072 C08239 N-Arachidonoyl dopamine 199875-69-9 5282105 - - N-(3-hydroxyphenyl)-Arachidonoyl amide 183718-75-4 9930597 - - (+)-alpha-Thujene 563-34-8 12444324 - - Uvaol 545-46-0 92802 HMDB0002391 - 15-Hydroxy Lubiprostone 475992-30-4 9800692 - - Metrafenone 220899-03-6 6451057 - - Bropirimine 56741-95-8 135413497 - - 4-Methyl-5-thiazoleethanol 137-00-8 1136 HMDB0032985 C04294 Guanidinosuccinic acid 6133-30-8 439918 HMDB0003157 C03139 3-Methylcyclopentadecanone 541-91-3 10947 HMDB0034181 - Methyl cis-9-tetradecenoate 56219-06-8 5352674 - - S-Hydroprene 65733-18-8 5282198 - - D-Valine, D-valyl-D-valyl- 185350-24-7 7015201 - - Teriflunomide 163451-81-8 | 108605-62-5 54684141 - - Ramosetron 132036-88-5 108000 - - Nifekalant hydrochloride 130656-51-8 | 130636-43-0 122188 - - Dihomo-gamma-linolenoylethanolamide 150314-34-4 5282272 HMDB0013625 C13828 Cys-Leu 113572-66-0 18634877 HMDB0028779 - Norcyclobenzaprine 303-50-4 9918 HMDB0060948 - Etofenprox 80844-07-1 71245 - C18410 Ergosterol peroxide 2061-64-5 5351516 HMDB0037941 - 6-Methyl-5-hepten-2-one 110-93-0 9862 HMDB0035915 C07287 Gly-Trp-Trp 57850-28-9 13037672 - - Resorcinolnaphthalein 41307-63-5 337218 - - 9R-hydroxy-10E,12Z-octadecadienoic acid 10075-11-3 | 18104-44-4 16061059 - - 3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide 354812-17-2 2807869 - - 4-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine 388575-52-8 2875918 - - 27-Hydroxycholesterol 20380-11-4 123976 HMDB0002103 C06340 15-oxoETE 81416-72-0 5280701 HMDB0010210 C04577 Cucurbitacin D 3877-86-9 5281318 - C08796 Fenobucarb 3766-81-2 19588 - - Malonoben 10537-47-0 5614 HMDB0031799 C19039 Arachidonamide 85146-53-8 5283393 - - Steviol 471-80-7 452967 HMDB0036706 C20212 Beraprost sodium 88475-69-8 23663404 - - Iberin 505-44-2 10455 HMDB0006095 - Cytotrienin A 208527-57-5 11966097 - - Ganoderic acid H 98665-19-1 73657194 HMDB0035987 - Propentofylline 55242-55-2 4938 HMDB0256821 C14312 Matromycin 3922-90-5 72493 - C01946 5,7-Dihydroxy-3',4',5'-trimethoxyflavanone 62252-10-2 462696 HMDB0124860 - 1-O-Hexadecyl-2-O-methyl-rac-glycerol 111188-59-1 | 84337-41-7 | 96960-92-8 | 120964-49-0 1380 - C00641 N-Butyl-N'-hydroxyguanidine 140215-98-1 447030 - - 3,3'-Diamino-4,4'-dihydroxydiphenyl Sulfone 7545-50-8 82047 - - Abn-cbd 22972-55-0 89949 - - Chimyl alcohol 6145-69-3 | 53584-29-5 72733 - C01885 16-Methylheptadecanoic acid 2724-58-5 21859 HMDB0031066 C20356 Maslinic acid 4373-41-5 73659 HMDB0002392 C16939 Hecogenin acetate 915-35-5 101906 - - 8-Chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-benzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide 494844-07-4 10435654 - - Cinchonan-3,9-diol, 6'-methoxy-, (8alpha,9R)- 78549-61-8 157225 HMDB0001091 C07344 Phytanic acid 14721-66-5 26840 HMDB0000801 C01607 Austidiol 53043-28-0 40604 HMDB0030858 - Chlorambucil 305-03-3 2708 HMDB0014436 C06900 Sulfaquinoxaline 59-40-5 5338 HMDB0033139 - Geranyllinalool 1113-21-9 | 68931-30-6 5365872 - C20681 Darunavir ethanolate 635728-49-3 | 635728-39-1 23725083 - - Noladin ether 222723-55-9 6483057 HMDB0013657 C01885 Phenylephrine 59-42-7 6041 HMDB0002182 C07441 1,4-Androstadiene-3,17-dione 897-06-3 13472 HMDB03422 C20144 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid 103904-74-1 11824131 HMDB0033896 - Farnesylcysteine methyl ester 125741-64-2 | 130062-64-5 6439225 - - Nitidine 6872-57-7 4501 - C09595 Oxymetazoline 1491-59-4 4636 HMDB0015070 C07363 2-Ketohexanoic acid 2492-75-3 159664 HMDB0001864 C00902 1-Hexadecyl-2-butyryl-sn-glycero-3-phosphocholine 85405-03-4 24779310 - - Usambarine 35226-29-0 442121 - C09250 L-threo-Sphingosine 25695-95-8 11130338 - - Flurprimidol 56425-91-3 73668 - C18465 (S)-N-oleoyltyrosinol 616884-62-9 10410511 - - d-Myo-inositol-1,4,5-triphosphate 85166-31-0 439456 HMDB0001498 C01245 Poncirin 14941-08-3 442456 HMDB0037487 C09830 N-tetradecanoyl-L-Homoserine Lactone 202284-87-5 58122267 - - d-threo-PDMP 109836-82-0 | 80938-69-8 | 139889-62-6 16219895 - - Cannabicyclohexanol 70434-92-3 12788231 - - Angiotensin III 12687-51-3 3082042 HMDB0001036 C15848 Linoleic Acid-d4 79050-23-0 12311285 - - Prunasin 99-18-3 119033 HMDB0034934 C00844 Lupeol 545-47-1 259846 - C08628 5-Isopropylbicyclo[3.1.0]hexan-2-one 513-20-2 92784 HMDB0035229 - Quinic acid 562-73-2 | 36413-60-2 | 470-63-3 6508 HMDB0003072 - Desmethylselegiline 18913-84-3 200718 - - Imazosulfuron 122548-33-8 92433 - C18443 alpha-Amino-beta-benzoylpropionic acid 15121-92-3 412786 - C03450 APGPR Enterostatin 117830-79-2 3082883 HMDB0006117 - 8-isoprostaglandin F1α 26771-96-0 11164145 - - Luvangetin 483-92-1 343582 - C09273 Maesopsin 5989-16-2 160803 HMDB0133540 - Myristoleic acid 544-64-9 5281119 HMDB0002000 C08322 Pectic acid 9046-40-6 445929 HMDB0003363 C00470 1-Aminocyclopropane-1-carboxylic acid 22059-21-8 535 HMDB0036458 C01234 4-Methyl-3-nitroaniline 119-32-4 8390 - C18320 Senecioic acid 541-47-9 10931 HMDB0000509 - L-galactopyranose 39392-65-9 12003287 - C01825 Eugenol 97-53-0 3314 HMDB0005809 C10453 Quinoline-3,4-diol 90348-01-9 440981 - C06330 4-Hydroxybenzeneacetonitrile 14191-95-8 26548 HMDB0029757 C03766 7H-Purin-8-ol 13230-97-2 | 51953-05-0 229771 HMDB0012182 - 3-Methylphenylacetic acid 621-36-3 12121 HMDB0002222 - Epsilon-caprolactam 105-60-2 7768 HMDB0062769 C06593 p-Cymene 99-87-6 7463 HMDB0005805 C06575 Chenodeoxycholic acid 474-25-9 10133 HMDB0000518 C02528 Anabasine 13078-04-1 2181 HMDB0004350 C06180 N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide 151167-15-6 | 85461-03-6 897 - - Artemisinic aldehyde 125276-60-0 15983961 - C20308 Aspartic acid 617-45-8 424 HMDB0062186 - (4R,7S)-7-isopropyl-4-methyloxepan-2-one 68330-67-6 11116489 - C18027 Dihydro-beta-ionone 17283-81-7 519382 HMDB0032913 C03527 9-Octadecenedioic acid, (9Z)- 20701-68-2 | 4494-16-0 9543674 - C19618 Neomethymycin 497-73-4 5282033 - - (R)-2,3-Dihydroxy-isovalerate 19451-56-0 440279 HMDB0012141 C04272 3,5-Dimethoxyphenol 500-99-2 10383 HMDB0059966 - Formiminoglutamic acid 816-90-0 439233 HMDB0000854 C00439 (20R)-17,20-Dihydroxypregn-4-en-3-one 1662-06-2 107701 - - (6E)-8-oxogeranial 80054-40-6 11073781 - C17622 D-Proline 344-25-2 8988 HMDB0003411 C00763 [(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol 57717-97-2 11788398 HMDB0036087 - L-Menthyl acetate 89-48-5 220674 HMDB0041264 C09870 5'-Deoxyadenosine 4754-39-6 439182 HMDB0001983 C05198 Allantoin 5377-33-3 204 - C02348 Farnesoic acid 462-11-3 | 7548-13-2 5275507 - - Dolichotheline 23100-08-5 168082 - - Coniferyl acetate 79440-81-6 | 94930-81-1 12835430 - C20225 Spermidine 124-20-9 1102 HMDB0001257 C00315 Tyrosol 501-94-0 10393 HMDB0004284 C06044 3-Hydroxybenzyl alcohol 620-24-6 102 HMDB0059712 C03351 Methyl sulfate 75-93-4 6412 - C02704 Methyl farnesoate 10485-70-8 | 3675-00-1 | 4176-79-8 5275508 - - N-Acetyl-L-citrulline 33965-42-3 656979 HMDB0000856 C15532 3-Methylcatechol 488-17-5 340 HMDB0301753 C02923 N-Acetyl-Neuraminic Acid 131-48-6 | 489-46-3 439197 HMDB0000230 C00270 Juvenile hormone II 34218-61-6 5459796 - C04867 Methy Indole-3-Acetate 1912-33-0 74706 HMDB0029738 C20635 Benzyl alcohol 100-51-6 244 HMDB0003119 C03485 5-Hydroxyhexanoic acid 44843-89-2 170748 HMDB0000525 - S-Formylglutathione 50409-81-9 189122 HMDB0001550 C01031 D-Glutamic acid 6893-26-1 23327 HMDB0003339 C00217 Feruloylputrescine 501-13-3 | 91000-11-2 5281796 HMDB0139553 - Val-Ile 20556-14-3 7010532 HMDB0029130 - 1,2-Bis(4-hydroxyphenyl)-2-propanol 154928-56-0 656691 - - Isolithocholic acid 1534-35-6 164853 HMDB0000717 C17658 Allantoic acid 99-16-1 203 HMDB0001209 C00499 Polyethylene 9002-88-4 6325 HMDB0029594 C19503 5-Hydroxybenzimidazole 41292-65-3 | 149471-91-0 3082533 - C21764 sn-Glycerol 3-phosphate 17989-41-2 439162 HMDB0000126 C00093 7,8-Dehydroastaxanthianthin 19866-02-5 131752072 HMDB0036872 - Petroselinic acid 593-39-5 5281125 HMDB0002080 C08363 Ethylbenzene 100-41-4 7500 HMDB0059905 C07111 2,3-Diaminopropionic acid 4033-39-0 97328 HMDB0002006 C06393 L-Homoserine 672-15-1 12647 HMDB0000719 C00263 DL-Serine 302-84-1 | 6898-95-9 | 25821-52-7 617 HMDB0062263 C00716 2-amino-3,7-dihydropurin-6-one 73-40-5 764 HMDB0000132 C00242 N-Methylmyosmine 525-74-6 4206586 - C21154 Maleimide 541-59-3 10935 - C07272 ascopyrone P 68732-99-0 9920413 - C19826 Cytidine 65-46-3 6175 HMDB0000089 C00475 11beta-Hydroxyandrostenedione 382-44-5 | 564-33-0 | 564-32-9 94141 HMDB0006773 C05284 Nitrobenzene 98-95-3 7416 HMDB0041950 C06813 Hexadecanedioic acid 505-54-4 10459 HMDB0000672 C19615 Cytosine 71-30-7 597 HMDB0000630 C00380 Ferruginol 514-62-5 442027 - C09092 Benzeneacetonitrile 140-29-4 8794 HMDB0034171 C16074 6-O-acetyl-beta-D-glucose 64780-50-3 439780 - C02655 Geranial 141-27-5 638011 HMDB0035078 C01499 Camellenodiol 81426-91-7 73657088 HMDB0035735 - Platyphylline 480-78-4 5281742 - - 16-Oxohexadecanoic acid 69275-06-5 15931626 - C19614 Westiellamide 131998-54-4 159587 - - Thiobinupharidine 30343-72-7 442554 - C09990 2-Aminooctadec-4-ene-1,3-diol 10140-30-4 5353955 - - Phe-Met 15080-84-9 7010506 HMDB0029001 - Phe-ala 3918-87-4 5488196 HMDB0028988 - D-Alanine 338-69-2 71080 HMDB0001310 C00133 1,1,2-Triphenylpropane 94871-36-0 3664636 - - PA(18:1(9Z)/18:1(9Z)) 14268-17-8 14057128 HMDB0007865 - Methylhydroquinone 95-71-6 7253 - - Costunolide 553-21-9 5281437 HMDB0036688 C09382 Galactaric acid 526-99-8 3037582 HMDB0000639 C00879 2-Indolecarboxylic acid 1477-50-5 72899 HMDB0002285 - (+)-beta-Pinene 19902-08-0 | 18172-67-3 10290825 HMDB36560 C20244 N-Benzyloxycarbonylglycine 1138-80-3 14349 - C03710 Glucosamine 3416-24-8 439213 HMDB0001514 C00329 Dimethylglycine 1118-68-9 673 HMDB0000092 C01026 Pfaffic acid 86432-14-6 441936 - C08965 alpha-Bisabolol oxide A 22567-36-8 90806 HMDB0038196 C16773 1,6-di-O-phosphono-beta-D-fructofuranose 34693-15-7 10267 HMDB0001058 C05378 (3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene 62235-06-7 6443227 HMDB0034498 C20700 Gentisyl alcohol 495-08-9 188287 - - (S)-2-amino-4-chloro-4-pentenoic acid 55528-30-8 440216 - C04075 3-Methyl-L-histidine 368-16-1 64969 HMDB0000479 C01152 Dihydrouracil 504-07-4 649 HMDB0000076 C00429 2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid 16597-19-6 5280673 HMDB0001330 C04409 Geranyl acetate 105-87-3 1549026 HMDB0035157 C09861 Temoporfin 122341-38-2 60751 - - Liberine 56119-16-5 46926249 - - Liquiritigenin 578-86-9 114829 HMDB0029519 C09762 4-Prenyldihydropinosylvin 70610-11-6 442715 - - cis-5,6-Dihydro-5,6-dihydroxy-carotene 143167-26-4 53477757 HMDB0002746 - Limonene oxide, (-)- 203719-53-3 10953718 - C19081 (1S,2S,4R)-Limonene-1,2-diol 38630-75-0 441246 - C07276 Arcaine 544-05-8 2227 - C03047 5alpha-Androstane-3alpha,17beta-diol 1852-53-5 15818 HMDB0000554 - Cyclopassifloside VII 301540-80-7 73801616 HMDB0036300 - 7-Ketodeoxycholic acid 911-40-0 188292 HMDB0000391 - 2-Keto-3-deoxy-6-phosphogluconate 27244-54-8 3080745 HMDB0001376 C04442 beta-Citraurin 650-69-1 9845703 HMDB0035091 C20894 Enniatin B4 19893-21-1 3010886 - - p-Coumaroylputrescine 34136-53-3 | 188257-45-6 6439562 HMDB0139874 C18326 Bismahanine 155519-87-2 10327320 HMDB0040773 - Artemisinic acid 80286-58-4 10922465 - C20309 Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate 111047-31-5 131752389 HMDB0038523 - 3-Methoxy-4-hydroxyphenylglycolaldehyde 17592-23-3 440729 HMDB0004061 C05583 2,4-Pentanedione 123-54-6 31261 HMDB0031648 C15499 17beta-Nitro-5alpha-androstane 1973-78-0 248417 - - 10beta-Hydroxytaxa-4(20),11-dien-5alpha-yl acetate 337515-55-6 443488 - - (2s)-2-(2,4-Dichlorophenoxy)propanoic acid 15165-69-2 84811 - C20687 1-Hexadecanoylpyrrolidine 70974-48-0 247220 HMDB0032740 - Aminocaproic acid 60-32-2 564 HMDB0001901 C02378 Aflatoxin Q1 52819-96-2 104757 HMDB0030753 C19585 (3-(Acetylhydroxyamino)propyl)phosphonic acid 66508-32-5 162204 - C17942 Acetoin 513-86-0 179 HMDB0003243 C00466 Ganodosterone 19698-66-9 13916720 HMDB0039148 - Terpendole E 167427-23-8 10094631 - C20536 Anhalamine 643-60-7 69510 - - (+)-Prosopinine 14058-39-0 442654 - C10167 Cholesta-3,5-dien-7-one 567-72-6 5283627 - - Palmitaldehyde 629-80-1 984 HMDB0001551 C00517 Crepenynic acid 2277-31-8 5281024 - C07289 2-Fluorobenzoic acid 445-29-4 | 41406-98-8 9935 - C02359 Terminaline 15112-49-9 177562 - C10825 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al 707119 439479 HMDB0003533 C01301 Messagenin 18211-63-7 46173776 HMDB0036838 C08631 Emindole Sb 112900-04-6 9887568 - C20527 Phenylacetaldehyde 122-78-1 998 HMDB0006236 C00601 L-Gulonic acid 526-97-6 6857417 HMDB0003290 C00800 4-[(1S)-1-hydroxyethyl]phenol 93781-59-0 10866400 - - Cinmethylin 87818-31-3 | 87818-61-9 91745 - - N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide 1886-34-6 597195 - C19872 Xanthorrhizol 30199-26-9 93135 - - Plakinamine B 93474-14-7 21606896 - C16895 Pyridoxamine 85-87-0 1052 HMDB0001431 C00534 Callystatin A 189883-16-7 5471086 - C16891 Amitenone 21682-47-3 12306042 HMDB0029550 - Harman 486-84-0 5281404 HMDB0035196 C09209 O-phospho-D-serine 73913-63-0 439747 - C02532 5,9-Epidioxy-3-hydroxyergost-7-en-6-one 211486-17-8 85218115 HMDB0032667 - Bolegrevilol 123941-64-0 14376403 HMDB0040764 - Ochrolifuanine A 35527-46-9 215338 - C09229 Glycerol 56-81-5 753 HMDB0000131 C00116 Obtusilactone A 56522-15-7 10448019 HMDB0030960 - Rhizonin A 85803-92-5 163494 HMDB0030525 - (all-E)-6'-Apo-y-caroten-6'-al 22255-36-3 20055192 HMDB0040118 - Pristinamycin IC 28979-74-0 443310 - - 7-Drimene-11,12,14-triol 124869-11-0 14433067 HMDB0036866 - Pepsinostreptin 51724-57-3 5462499 - C11610 16-Glucuronide-estriol 1852-50-2 122281 HMDB0006766 C05504 Dehydroemetine 4914-30-1 | 1986-67-0 | 26266-12-6 21022 - C07996 1-Piperideine 505-18-0 68161 - C06181 Furanofukinin 34335-93-8 78385403 HMDB0036640 - 4-(1-Ethyl-2-phenylbutyl)phenol 3929-22-4 230019 - - 1-Hydroxy-2-naphthaldehyde 574-96-9 443195 - - Amataine 31148-60-4 441539 - C08433 Heliantriol B1 74715-48-3 131752472 HMDB0038801 - Dolichosterone 85797-15-5 13870422 HMDB0034336 - Mycolactone 222050-77-3 5282079 - C12151 Cryptogenin 468-99-5 21117640 - C17891 Neurosporaxanthin 2468-88-4 637039 - C08607 5-(10,13-Nonadecadienyl)-1,3-benzenediol 189562-02-5 131752737 HMDB0039867 - Menthoglycol 3564-98-5 | 91739-72-9 19100 - C02904 Glycidyl stearate 7460-84-6 62642 - C19427 2,6-Diamino-4-nitrotoluene 59229-75-3 91671 - - Vicianose 14116-69-9 439537 - C01625 5-(14-Nonadecenyl)-1,3-benzenediol 187523-39-3 101540825 HMDB0031677 - (+)-Sabinene 2009-00-9 10887971 HMDB0036076 C20230 Presilphiperfolan-8beta-ol 80931-08-4 10775424 - C19756 Pilocereine 2552-47-8 228285 - C09609 Octachlorodibenzofuran 39001-02-0 38200 - C18113 N1,N10-Bis(p-coumaroyl)spermidine 65715-79-9 15270795 HMDB0033469 - 12-(2,3-Dihydroxycyclopentyl)-2-dodecanone 6626-62-6 245875 HMDB0031019 - D-threo-Isocitric acid 6061-97-8 5318532 HMDB0001874 C00451 Lucidenic acid G 102607-21-6 14109386 HMDB0035599 - 3,5,9-Trihydroxyergost-7-en-6-one 211486-13-4 85276490 HMDB0032875 - Irehine 2309-39-9 442978 - C10810 Tridecyl phloretate 232262-50-9 131751775 HMDB0035477 - Pyriculol 24868-59-5 13873378 - - 7-Chloro-2-dibenzofuranol 73518-07-7 11954128 - - D-Glucaro-1,4-lactone 5027-63-4 122306 HMDB0041862 - D-Cysteine 921-01-7 92851 HMDB0003417 C00793 5beta-Estrane-3alpha,17beta-diol 10002-97-8 255697 - - 3-Oxo-12,18-ursadien-28-oic acid 273223-69-1 14707579 HMDB0037065 - Ile-Met 42384-14-5 7020106 HMDB0028913 - Ginsenoside F3 62025-50-7 46887678 HMDB0039556 - Narbomycin 6036-25-5 5282036 - C11998 p-Coumaryl alcohol 4-O-glucoside 120442-73-1 5280847 - C05855 Castasterone 80736-41-0 133534 - - Ophiobolin F 20098-89-9 46173837 - - L-Allothreonine 24830-94-2 99289 HMDB0004041 C05519 Dehydrolithocholic acid 1553-56-6 5283906 - C03070 Tetrahydroharman 2506-10-7 | 525-40-6 91522 - - s-Dihydrodaidzein 879559-75-8 11492597 - - Campestanol 474-60-2 119394 HMDB0000534 - Cyclo(L-leucyl-L-leucyl) 952-45-4 192731 - C20514 9,19-Cyclocholesta-7,20-diene-3,14,26-triol 142942-85-6 131753169 HMDB0041583 - N(6)-Methyllysine 1188-07-4 164795 HMDB0002038 C02728 2-O-(3-Hydroxy-3-methylglutaryl)fasciculol A 126906-00-1 196810 HMDB0036439 - N-(14-Methylhexadecanoyl)pyrrolidine 260058-83-1 6430518 HMDB0034373 - Dehydrophytosphingosine (not validated, isomer of 1677) 3687-54-5 14757419 HMDB0038057 - 2-Amino-4-[(4-aminobutyl)amino]butanoic acid 61715-48-8 46174065 - C18172 L-Cysteinesulfinic acid 1115-65-7 1549098 HMDB0000996 C00606 (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 107368-95-6 129540 - - Chlorophyll 479-61-8 12085802 HMDB0038578 C05306 Aloe emodin anthrone 6247-99-0 122840 - - (25S)-26-Hydroxy-24-methylenecycloartan-3-one 232266-06-7 78385389 HMDB0034555 - Chlorophyll B 519-62-0 11593175 HMDB0031146 - 2-n-Undecyltetrahydrothiophene 85438-98-8 134998 - - L-alpha-Aminobutyric acid 1492-24-6 80283 HMDB0000452 C02356 20,26-Dihydroxyecdysone 19458-46-9 21123946 - - 4-Hexen-1-OL 928-92-7 | 6126-50-7 | 928-91-6 641248 - - Glycine 56-40-6 750 HMDB0000123 C00037 Hydroxypyruvaldehyde phosphate 39217-31-7 193787 - - Bergaptol 486-60-2 5280371 HMDB0013679 C00758 Cassine 5227-24-7 193405 - - 3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol 181046-82-2 15298697 HMDB0029654 - Bromobenzene 108-86-1 7961 - - 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one 84321-96-0 539964 HMDB0038154 - 2-N-Dodecyltetrahydrothiophene 78313-84-5 443068 - - 5,6,7,4'-Tetramethoxyflavanone 2569-77-9 242486 - - 2,2',3-Trihydroxydiphenyl ether 128292-53-5 182886 HMDB0034446 C07733 Spheroidene 13836-61-8 6368932 - - 2alpha,17-Dimethyl testosterone 5197-22-8 224005 - - 3alpha-Hydroxyoreadone 124869-06-3 131751906 HMDB0036047 - 5b-Cholestane-3a,7a,12a,23R,25-pentol 59906-14-8 21252249 HMDB0000513 - 3-Hydroxyechinenone 4481-36-1 16061232 - - Ethanolamine 141-43-5 700 HMDB0000149 C00189 (R)-3-Amino-3-phenylpropanoic acid 13921-90-9 686703 - C20487 5-{9,32-Dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one 170713-73-2 10699960 HMDB0030493 - (S)-10,16-Dihydroxyhexadecanoic acid 69232-67-3 441449 HMDB0037798 C08285 3-Dehydroecdysone 39750-00-0 5460083 - - N-(13-Methyltetradecyl)acetamide 64317-66-4 47346 HMDB0040940 C17515 2-Hydroxy-7-hydroxymethylchromene-2-carboxylate 156605-24-2 656880 - C14106 Pikromycin 19721-56-3 5282037 - - Pyrohyperforin 303115-46-0 73808497 HMDB0035899 - N-(2,14-Eicosadienoyl)piperidine 151391-74-1 101652057 HMDB0032031 - methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate 1721-58-0 609116 HMDB0035270 - Voacamine 3371-85-5 11953931 HMDB0015597 C09252 1b,3a,12a-Trihydroxy-5b-cholanoic acid 80434-32-8 53477683 HMDB0000326 - 4-Methoxycinnamoyloleanolic acid methyl ester 189140-50-9 131751417 HMDB0033408 - Bn-NCC-2 173740-47-1 131752319 HMDB0038230 - 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 115538-85-7 3081085 HMDB0012458 C17337 N-Acetylarylamine 55576-55-1 904 HMDB0001250 C07565 2-Heptadecylfuran 208329-97-9 183142 HMDB0033608 - L-Urobilin 34217-90-8 5280818 HMDB0004159 C05793 4-Hydroxy-4-methyl-2-oxoglutaric acid 130610-51-4 440249 - C06033 3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol 2023-72-5 255699 - - 5-hydroxybisphenol A 79371-66-7 656689 - - Ponasteroside A 20117-33-3 12314455 HMDB0034091 - Ampeloside Bs1 118524-12-2 14187142 HMDB0031364 - 13,16,19-Docosatrienoic acid 59708-86-0 5312556 HMDB0002823 - Pinidine 501-02-0 5281689 - - 2-Deoxyecdysone 31575-91-4 13939876 - - Protopanaxatriol 34080-08-5 9847853 - - gamma-Tocotrienol 14101-61-2 5282349 HMDB0012958 C14155 beta-Citraurol 57593-78-9 23426325 HMDB0035685 - Fasciculol C 65694-19-1 21120965 HMDB0035853 - Oligomycin D 1404-59-7 76958643 - - Ajugalactone 42975-12-2 181744 - C08810 LPE(P-16:0) 174062-72-7 42607469 HMDB0011152 C00350 Teleocidin B-1 95044-71-6 185384 - C05150 Cycloeucalenol 469-39-6 101690 HMDB0030506 C02141 3'-Hydroxy-5'-(4-propylpiperazinyl)benzoxazinorifamycin 133633-12-2 135433376 - - 3alpha-hydroxy-3,5-dihydromonacolin L acid 113855-37-1 195046 - C20852 Dromostanolone tetrahydropyranyl ether 983-56-2 255705 - - 5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol 68378-37-0 131752517 HMDB0039021 - Debenzoylzucchini factor B 308811-93-0 131752152 HMDB0037102 - 2,6-Cyclolycopene-1,5-diol 223744-29-4 9894294 HMDB0034902 - 4,4'-Diaponeurosporen-4-al 59057-70-4 6443564 - C19839 Pennigritrem 139682-30-7 178547 - - (S)-2-((S)-2-Amino-3-carboxypropanamido)-4-methylpentanoic acid 3062-14-4 6992367 HMDB0028757 - Phosphonoacetaldehyde 16051-76-6 490 - C03167 Americanin B 77053-44-2 73352644 HMDB0037338 - ginsenoside F5 189513-26-6 46887590 HMDB0031839 - 6''-O-Acetylvicenin 1 163345-99-1 74977477 HMDB0041235 - Acetyl tributyl citrate 77-90-7 6505 HMDB0034159 - Benzoyl peroxide 94-36-0 7187 HMDB0032040 C19346 28-Galloylglucosylpomolate 3-arabinoside 356785-75-6 131752334 HMDB0038315 - D-Citronellol 1117-61-9 101977 HMDB0035093 C09849 Lucyobroside 189272-90-0 131751236 HMDB0031983 - Pisumoside B 333334-43-3 85245998 HMDB0037125 - Lanceotoxin A 93771-82-5 441863 - C08872 (S)-Homostachydrine 472-22-0 441447 HMDB0033433 C08283 (S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid 67392-79-4 5461055 - C01513 Momordol 189156-42-1 71308241 HMDB0029804 - Hellebrin 13289-18-4 441859 - C08868 Simplexin 1404-62-2 119045 - - Elaeocarpidine 20069-07-2 355436 - C10590 Concanamycin a 80890-47-7 6438151 - - Deterrol stearate 52898-98-3 57473060 HMDB0034578 - Pipereicosalidine 145237-20-3 101634668 HMDB0039738 - (-)-Dioxibrassinin 133761-64-5 11807698 HMDB0038634 - Gluten Exorphin C 142479-62-7 25221466 HMDB0059796 - Portensterol 62005-66-7 6443578 HMDB0034331 - 6-Hexyl-1,4-dioxan-2-one 59646-18-3 19993347 HMDB0039582 - Hexadecasphinganine 28457-97-8 656816 - - 2-dehydro-D-gluconic acid 669-90-9 | 20248-27-5 3035456 - C06473 3beta-Fluoroandrost-5-en-17beta-ol 361-79-5 247837 - - Hoduloside VII 154971-11-6 131752893 HMDB0040659 - N-Demethylconoduramine B640243K425 66086-99-5 5477055 - - Enterobactin 9001-98-3 34231 HMDB0032199 C05821 Discodermolide 127943-53-7 643668 - - (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 1117-10-8 5459971 - C04546 3beta-Cyclopentyl-5alpha-androstan-17beta-ol 6944-47-4 246162 - - 28-Homobrassinolide 82373-95-3 | 74174-44-0 11038340 HMDB0030423 - Usambarensine 36150-14-8 5281413 - C09249 Alangicine 16531-04-7 442158 - C09327 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid 17019-95-3 131752030 HMDB0036673 - Myxalamid A 86934-09-0 6440913 - - Chikusetsusaponin Ia 59252-86-7 13386145 HMDB0034994 C17544 4'-O-Methylnorbelladine 4579-60-6 253994 - - Sucrose 57-50-1 5988 HMDB0000258 C00089 Galactose 41414-75-9 6036 HMDB0037209 C00124 2-Heptadecanone 2922-51-2 18027 HMDB0031040 - DL-alpha-Tocopherol acetate 378795-16-5 2117 HMDB0039463 - (8'R)-Neochrome 59491-56-4 131750958 HMDB0030100 - 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone 19304-29-1 245229 - - 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one 800-06-6 242127 - - beta-Tocotrienol 490-23-3 5282348 HMDB0030554 C14154 Oxoamide 713-05-3 436 HMDB0001004 - alpha-Linolenic acid 463-40-1 5280934 HMDB0001388 C06427 Lansioside C 87453-35-8 73816952 HMDB0035103 - 3,4-Dimethyl-5-propyl-2-furantridecanoic acid 116627-43-1 71374382 HMDB0112078 - 10-Deoxymethynolide 81644-19-1 5282031 - - Acetoacetic acid 541-50-4 96 HMDB0000060 C00164 Spirilloxanthin 34255-08-8 5366506 - C15881 Tetrahydroxypteridine 2817-14-3 230047 - C03178 Indoxyl 480-93-3 50591 HMDB0004094 C05658 l-Alanyl-l-leucine 3303-34-2 96801 HMDB0028691 - Trihydroxycoprostanoic acid 863-39-8 122166 HMDB0002163 - Lucenin-2 29428-58-8 442615 - - Retinol 68-26-8 445354 HMDB0000305 C17276 Panaxydol linoleate 155551-19-2 131753067 HMDB0041205 - N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea 6642-32-6 222304 - - Janthitrem C 73561-91-8 156106 HMDB0040684 C20601 11-Hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid 65649-36-7 53462068 HMDB0034635 - Vinaginsenoside R2 156980-42-6 75055105 HMDB0034625 - 2-Deoxystreptamine 2037-48-1 203443 - C02627 Fumonisin B4 136379-60-7 42608359 HMDB0040968 - Ampeloside Bf2 118543-10-5 14187146 HMDB0031880 - 16-Hydroxy-10-oxohexadecanoic acid 53833-25-3 85837000 HMDB0041287 - Diazodiphenoquinone 2435-60-1 192767 - - Dioctyl adipate 123-79-5 31271 HMDB0041619 - Ginsenoside Rh3 105558-26-7 | 166040-90-0 20839223 HMDB0039645 - Gambierol 146763-62-4 6442244 - - Vanillactic acid 2475-56-1 160637 HMDB0000913 - Asperagenin 17305-15-6 76961652 HMDB0034293 - Valeracetate 173693-49-7 131753132 HMDB0041388 - Lappaconitine 32854-75-4 5281279 - - calyculin A 101932-71-2 5311365 - - Bovinocidin 504-88-1 1678 HMDB0034259 C05669 O-Carbamoyl-L-serine 2105-23-9 439881 - C03015 Docosadienoate (22:2n6) 17735-98-7 5312554 HMDB0061714 C16533 Gravacridonetriol glucoside 59086-96-3 131750851 HMDB0029331 C01885 Mascaroside 55465-97-9 442057 HMDB0035603 C09132 7',8'-Dihydro-8'-hydroxycitraniaxanthin 15446-86-3 131752079 HMDB0036884 - pateamine A 139220-18-1 10053416 - C19917 Ethyl carbamate 51-79-6 5641 HMDB0031219 C01537 N-Butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-7-YL]-N-methylundecanamide 98007-99-9 104772 - - Cotylenin F 58045-03-7 11953923 - C09078 Phorbol caprate, tiglate 59086-92-9 5281391 - C09157 Triclosan 3380-34-5 5564 HMDB0061385 C12059 2-Phosphoglyceric acid 2553-59-5 59 HMDB0000362 - Lonchocarpenin 22263-56-5 54699185 - - Levallorphan 152-02-3 5359371 HMDB0014647 C07069 Ipomeatetrahydrofuran 92448-62-9 131752981 HMDB0040904 - (-)-Limonene 5989-54-8 439250 HMDB0004321 C00521 Vinorelbine Ditartarate 71486-22-1 44424639 HMDB0014505 - Hv-NCC-1 135972-64-4 15088501 HMDB0039005 - Carbamic acid 463-77-4 277 HMDB0003551 C01563 (-)-Santiaguine 528-31-4 442656 - C10170 Diprenorphine 14357-78-9 443408 - - alpha-Glyceryl linoleate 67968-46-1 6436630 HMDB0011568 C01885 Isofumonisin B1 203259-29-4 85270794 HMDB0032719 - 22-Acetylpriverogenin B 26339-94-6 73819433 HMDB0034645 - 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone 136762-45-3 101420967 HMDB0038564 - Homodolichosterone 85797-14-4 14607932 HMDB0034079 - 2,5-Dihydroxypyridine 5154-01-8 | 84719-33-5 | 24154-26-5 99456 - C01059 Calendulaglycoside E 38424-95-2 13919550 HMDB0033174 - Cyclopassifloside II 292167-39-6 73800249 HMDB0038389 - 17-Deoxycortolone 600-68-0 92042746 - C05483 7-Methyljuglone 14787-38-3 26905 - - 2-Mercaptoethanesulfonic acid 3375-50-6 598 HMDB0003745 C03576 Tautomycin 109946-35-2 3034761 - - Validamycin A 37248-47-8 443629 HMDB0036592 - Fistularin 1 73622-20-5 328953 - C17160 Goshonoside F6 138614-60-5 131752396 HMDB0038542 - Polyoxyethylene sorbitan monooleate 1338-41-6 | 96094-21-2 3793749 HMDB0029888 - Lucidenic acid N 364622-33-3 21592283 HMDB0038352 - L-rhamnulose 14807-05-7 14461866 HMDB0010207 C00861 (1S,4R,5R)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-ol 98920-24-2 439906 - - 11-Oxo-beta-amyrin 38242-02-3 20055661 - C19943 Peiminine 18059-10-4 167691 - - 3,4-Dimethoxybenzaldehyde 120-14-9 8419 HMDB0032138 C02201 Muridienin 4 206131-79-5 131751208 HMDB0031906 - (E)-2-[[(E)-2-[[(2S)-1-[(3R,4S,7S,10S,11S)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid 64925-81-1 23643564 HMDB0038884 - Ternatin heptapeptide 148619-41-4 192406 HMDB0040991 C16302 Pseudooxynicotine 2055-23-4 434 HMDB0001240 C20361 D8'-Merulinic acid C 69506-63-4 5319373 HMDB0041453 - 8,8-Dimethoxy-2,6-dimethyl-2-octanol 141-92-4 8863 HMDB0040219 - 17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 26856-62-2 12547 HMDB0005943 - 3a,7b,12a-Trihydroxyoxocholanyl-Glycine 68753-51-5 44263376 HMDB0000331 - Colupdox a 35923-67-2 90471746 HMDB0039597 - Goyaglycoside a 333332-41-5 131752339 HMDB0038348 - (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one 57682-64-1 100419 - - 3-[(2S)-1-hydroxy-2-[(1S,2S,6R)-2-[(E)-3-hydroxy-2-[(2R,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propylidene]oxolane-2,4-dione 75139-06-9 54688698 HMDB0033494 - cis-1,2-Dihydro-3-ethylcatechol 66008-19-3 441155 - C06727 Kanokoside C 64703-87-3 46173907 HMDB0035305 C17430 (22E,24R)-Stigmasta-4,22-diene-3,6-dione 50868-51-4 14825797 HMDB0038656 - Aklavinone 16234-96-1 159776 - - N-(Carboxymethyl)-D-alanine 66642-87-3 5462254 - C03790 2,4,12-Octadecatrienoic acid isobutylamide 151391-69-4 25221579 HMDB0032033 - Knipholone 94450-08-5 442753 - - N-Nitroethylenediamine 58130-90-8 194053 HMDB0031226 - Rimocidin 1393-12-0 6440843 - - Benzyl Violet 4B 1694-09-3 5284479 HMDB0033385 - Cis-Zeatin 32771-64-5 688597 - C15545 3beta,7alpha-Dihydroxy-5beta-cholan-24-oic Acid 566-24-5 164673 HMDB0000361 C17660 SB 221284 196965-14-7 443389 - - Azaspiracid 4 344422-49-7 23247216 HMDB0038232 - Benzoylmalic acid 22138-51-8 13953341 HMDB0039494 - Amphibine B 38541-74-1 5281582 - C09998 Leucomycin V 1392-21-8 | 39405-35-1 | 22875-15-6 5282189 - - Psychosine 2238-90-6 5280458 HMDB0000648 C01747 trans-Aconitic acid 4023-65-8 444212 HMDB0000958 C02341 6-Methoxyluteolin 7-rhamnoside 35682-55-4 442617 - - Leucomycin A13 78897-52-6 11954020 - C14063 N-Acetyl-D-Galactosamine 14215-68-0 | 1136-42-1 | 6082-29-7 | 31022-50-1 35717 - C01132 Carnitine C16-OH 195207-76-2 71464553 HMDB0013336 - Etamiphylline 314-35-2 28329 HMDB0041889 - trans-Geranylgeranylbixin 247030-35-9 131751556 HMDB0034387 - 1,2-Benzoquinone 583-63-1 11421 HMDB0012133 C02351 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene 126398-82-1 131752921 HMDB0040748 - Theasapogenol E 15399-41-4 12302288 HMDB0034518 - 1,3,5-Triphenylcyclohexane 17342-60-8 119930 HMDB0037518 C15437 Kukoamine A 75288-96-9 5318865 HMDB0030392 C17615 Allyl cyclohexanebutyrate 7493-65-4 61405 HMDB0038291 - Methyl 3-hydroxyhexadecanoate 51883-36-4 103553 - - Protoveratrine B 124-97-0 442981 - C10816 Deoxyguanosine 5'-monophosphate(dGMP) 902-04-5 135398597 HMDB0001044 C00362 Methyl glycyrrhetate 1477-44-7 629042 HMDB0034516 - Astrasieversianin XVI 101843-82-7 441906 - C08925 Anhydrorhodovibrin 5085-16-5 5368308 - - Dalfopristin 112362-50-2 6323289 HMDB0015566 - Notoginsenoside T1 343962-53-8 131752527 HMDB0039049 - Indole-3-lactic acid 1821-52-9 | 832-97-3 92904 HMDB0000671 C02043 Majonoside R2 81534-63-6 9962384 HMDB0040418 - Enterocin 900 29325-83-5 207212 HMDB0038284 - (+)-Menthofuran 17957-94-7 442478 - C18025 4-Phenylbutyl glucosinolate 76265-26-4 131752363 HMDB0038415 - Glucosyl passiflorate 1392-82-1 92023814 HMDB0038141 - Homocarnosine 3650-73-5 10243361 HMDB0000745 C00884 Lipomycin 51053-40-8 54723870 - - 6''-O-alpha-D-Galactopyranosylciceritol 92675-08-6 101063773 HMDB0036241 - Brevetoxin A 98112-41-5 10865808 - - 17alpha,21-Dihydroxypregnenolone 1167-48-2 192735 HMDB0006762 C05487 Maraviroc 376348-65-1 3002977 HMDB0015584 - Thr-Glu 54532-73-9 7020163 HMDB0029060 - Acetaldehyde di-cis-3-hexenyl acetal 63449-64-9 5367767 HMDB0032152 - Mosinone A 191800-47-2 131751150 HMDB0031228 - 3-Hydroxypropanal 2134-29-4 75049 HMDB0003453 C00969 Apiforol 55167-29-8 443638 - - Taxa-4(20),11(12)-dien-5alpha,13alpha-diol 357436-25-0 443487 - - Erythrodiol 3-decanoate 36286-67-6 131751570 HMDB0034510 - Brevetoxin B 79580-28-2 10865865 - - Postin 103745-46-6 128439 HMDB0005772 - 2-chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 156685-94-8 656747 - C13804 3-Hexaprenyl-4,5-dihydroxybenzoic acid 63975-40-6 5280760 HMDB0001063 C05200 Ginsenoside Rh6 343780-67-6 131752646 HMDB0039436 - Leucomycin a7 18361-47-2 5282326 - - O-Acetyl-L-homoserine 7540-67-2 439389 HMDB0029423 C01077 Ceanothine D 5574-24-3 131750854 HMDB0029337 - Naphthalene-1,6-disulfonic acid 525-37-1 10676 - - Aphidicolan-16beta-ol 101143-85-5 443480 - - Neoacrimarine K 217199-09-2 10626660 HMDB0033192 - Caldariellaquinone 63693-26-5 194166 - C20624 Elaterinide 1398-78-3 5901827 HMDB0035893 - Momordicoside K 81348-84-7 57330180 HMDB0036430 - (R)-2-hydroxy-3-mercaptopropanoic acid 30163-02-1 9833951 HMDB0002127 C05823 Arabinonic acid 488-30-2 122045 HMDB0000539 C00878 Adouetine Y 19542-38-2 5281578 HMDB0034101 C09994 Moexipril 103775-10-6 91270 HMDB0014829 C07704 Braco-19 351351-75-2 9808666 - C20202 Kuwanon L 88524-65-6 184877 HMDB0030121 - Murideoxycholic acid 668-49-5 5283821 HMDB0000811 C15515 Macrocin 11049-15-3 5280369 HMDB0039122 C00744 Cannogenol 3-[glucosyl-(1->4)-2,6-dideoxy-xylohexoside] 220710-05-4 131751422 HMDB0033424 - Cauloside A 17184-21-3 441928 - C08953 Desmethylalborixin 36505-48-3 9854219 - - Methyl dihydrojasmonate 24851-98-7 102861 HMDB0031740 - Carnitine C16:1-2OH 42150-38-9 566787 HMDB0000712 - Leucomycin a5 18361-45-0 5282324 - - 4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol 75938-34-0 156639 - C14237 3-Hydroxyanthranilic acid 548-93-6 86 HMDB0001476 C00632 Disul 149-26-8 8701 - C19071 Soyasapogenol D 65892-76-4 46173903 HMDB0034507 C17423 6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate 247030-33-7 15491080 HMDB0034770 - Fexaramine 574013-66-4 5326713 - - Digoxin 20830-75-5 2724385 HMDB0001917 C06956 Pseudoisoeugenol 98755-22-7 16116489 - - Scutianine F 64309-19-9 5281596 - C10014 Pteroic acid 119-24-4 | 4955-72-0 135398749 - C07582 Cucurbitacin P 25383-26-0 441822 - C08804 Quinquenoside F1 336161-28-5 131752636 HMDB0039398 - Eudesobovatol A 125196-77-2 442837 - C10562 Bruceoside A 63306-30-9 441789 - C08753 Rifabutin 72559-06-9 135398743 HMDB0014753 C07235 1,3-DIAMINOPROPANE 109-76-2 428 HMDB0000002 C00986 Diploptene 1615-91-4 92155 - C06310 Solanesyl-PP 146340-00-3 21252289 HMDB0002367 C17438 12-Butan-2-yl-19-hexyl-6-(1-hydroxyethyl)-9-(hydroxymethyl)-16,18-dimethyl-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone 67076-74-8 | 64441-34-5 115071 - C01700 Ciclesonide 126544-47-6 | 141845-82-1 6918155 HMDB0015480 C72110 Citronellal 106-23-0 7794 HMDB0035841 C17384 [2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone 89803-87-2 118886998 HMDB0041423 - 10,20-Dihydroxyeicosanoic acid 120727-26-6 14259007 HMDB0031923 - 4-(2,4-Dichlorophenoxy)butanoic acid 94-82-6 1489 - - Protocatechuic acid 99-50-3 72 HMDB0001856 C00230 1H-Indole-3-acetaldehyde, 5-methoxy- 22139-72-6 45479662 - - Paraxanthine 611-59-6 4687 HMDB0001860 C13747 Phenyl acetate 122-79-2 31229 HMDB0040733 C15583 Kudzusaponin SA2 168288-05-9 131753082 HMDB0041241 - Hymenocardine 19771-56-3 442568 - C10004 N-Benzoyl-D-arginine 61088-55-9 656500 - C03001 Isobutylphendienamide 99083-23-5 | 122349-64-8 5281870 - - Chikusetsusaponin III 29845-71-4 46173930 - C17539 Fosthiazate 98886-44-3 91758 - C18402 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol 6127-75-9 5284194 HMDB0002180 - Carolinianine 36101-39-0 442470 - C09856 Psoralen 66-97-7 6199 HMDB0034272 C09305 1,3,5-Trihydroxybenzene 108-73-6 359 HMDB0013675 C02183 Pseudaconitine 127-29-7 90478913 - - 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) 94356-21-5 131752603 HMDB0039307 - Tetrahydroaldosterone-3-glucuronide 20605-81-6 167918 HMDB0010357 - Hoduloside VI 154971-10-5 131752892 HMDB0040658 - Deoxytubulosine 2632-30-6 165003 - C11817 4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid 503064-58-2 23724658 - - Thalicoside A 93208-45-8 441952 - C08985 Cudraphenone D 327041-72-5 509243 - - Ascidiacyclamide 86701-12-4 163527 - - C51H88N4O4S2 169211-45-4 91886088 - - (3-Aminomethyl-5-methyl-cyclohexyl)-methanol 498531-57-0 3107848 - - Mudanoside B 203511-37-9 21604164 - - Cathepsin G Inhibitor I 429676-93-7 9830518 - - Isonicotinylglycine 2015-20-5 160607 HMDB0041912 C16623 FFA(19:1) 73033-09-7 5312513 HMDB0013622 - Tetrahydromethanopterin 92481-94-2 135398665 HMDB0060403 C01217 3,3,3-Trifluoro-2-hydroxypropanoic acid 684-07-1 244896 - - 6-Iodoquinazolin-4-one 16064-08-7 135401666 - - 2-(4-((2,5-Difluorobenzyl)oxy)phenoxy)-5-ethoxyaniline 223104-29-8 644100 - - 1-Azetidineacetic acid, 3-((amino(4-(3-amino-3-carboxypropoxy)phenyl)acetyl)amino)-alpha-(4-hydroxyphenyl)-2-oxo- 59511-12-5 3042313 - - Potassium acetate 127-08-2 517044 - - Manumycin A 52665-74-4 6438330 - - Tetragastrin 1947-37-1 446569 HMDB0005775 - Fenthion 55-38-9 3346 HMDB0033209 C14420 Loganin pentaacetate 20586-11-2 443344 - - (2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one 97230-47-2 91884878 - - Methyl 12-hydroxyoctadecanoate 141-23-1 8840 - - C20 Sulfatide 265096-81-9 24779583 HMDB0012315 C06125 4-(Dimethylamino)phenylalanine 7284-42-6 | 84796-32-7 238128 - - 2-Amino-5-chloro-3-iodopyridine 211308-81-5 11076010 - - Lauroyl arginine 42492-22-8 6451888 - - Tigecycline 220620-09-7 54686904 HMDB0014700 - Iodoalphionic acid 577-91-3 11350 - - (3-Hexadecoxy-2-icosa-8,11,14-trienoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate 131907-73-8 5353312 HMDB0039527 C00157 8,8'-Methylenebiscatechin 81555-08-0 46182787 HMDB0040140 - Cholesteryl docosahexaenoic acid 70110-50-8 53477890 HMDB0006733 C02530 Rolapitant 552292-08-7 10311306 - - 3-Fluoropyridine-4-carbohydrazide 364-82-9 345369 - - 5-(2-Chloro-benzyl)-thiazol-2-ylamine 207463-32-9 727745 - - 2,1,3-Benzothiadiazole-4-carbaldehyde 5170-68-3 2776283 - - (2R)-2-Hydroxy-N-[(2S,3R,4S)-1,3,4-trihydroxyoctadecan-2-yl]tetracosanamide 154801-30-6 97302192 - - 26-O-Rhamnopyranosylpolypodogen-3-O-rhamnopyranosyl-(1-2)-glucopyranoside 119784-25-7 147894 HMDB0034053 - all-trans-Nonaprenyl diphosphate 60037-55-0 5280650 - C04145 Carbamate 302-11-4 | 7224-09-1 276 - - Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside 111957-48-3 11664897 - - N-(5-bromopyridin-2-yl)propanamide 148612-11-7 774878 - - 9,10,13-Trihydroxystearic acid 50439-74-2 45359277 HMDB0030935 - 5-Fluorouridine 5'-triphosphate 3828-96-4 10255482 - C21749 Malonate 156-80-9 9084 - - (Z)-2-((R)-1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acid 317322-48-8 71712269 - - 4-[(Methylamino)acetyl]morpholine 41458-73-5 2517683 - - Elloramycin 97218-42-3 10009567 - C12381 Eledoisin Related Peptide 2990-43-4 151058 - - 1-Bromo-4,5-diethoxy-2-nitrobenzene 73775-84-5 3815811 - - Methyl 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate 364625-05-8 919751 - - 4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] 105274-14-4 14345585 HMDB0039314 - L-Ascorbic acid monostearate 10605-09-1 54676866 HMDB0038242 - Radiclonic acid 49620-14-6 45359249 - - 3-Chloro-1H-pyrazol-4-amine 103286-54-0 114020 - - Emblicanin B 180465-45-6 119058017 HMDB0030436 - lipid X 86559-73-1 123907 - C04824 beta-Hederin 35790-95-5 441929 HMDB0033685 C08955 Zizyphine A 51059-42-8 6324833 - - 1-Stearoyl-sn-glycero-3-phosphate 65494-37-3 9547179 - - N-(4-Bromo-phenyl)-4-chloro-3-nitro-benzenesulfonamide 379254-73-6 5016179 - - 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine 1023-01-4 837893 - - Istamycin C 83728-93-2 13187056 - C17995 Muricatocin B 167355-38-6 133072 HMDB0029966 - Sorafenib tosylate 475207-59-1 406563 - - 3-Chloropyridine-2-thiol 5897-94-9 13476973 - - Acetylspiramycin 24916-51-6 49787020 - - [(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-yl]methyl hexadecanoate 81760-45-4 101046637 - - Pfaffoside A 90745-17-8 441937 - C08966 Didecyl hydrogen phosphate 7795-87-1 82260 - - Chrodrimanin B 132196-54-4 101565496 - - Mosapride citrate 112885-42-4 119583 - - Phenol, 2,2'-thiobis[4-chloro-6-nitro- 852-20-0 70063 - - Dioleoylphosphatidylcholine 52088-89-8 5364680 - C00157 Ethyl 2-(docosanoylamino)benzoate 209523-04-6 5317244 - - Pipecuronium 68399-58-6 50192 HMDB0015431 C07554 Cephalostatin 1 112088-56-9 10328411 - C20060 Farnesylthioacetic acid 135784-48-4 5353623 - - (1h-Indol-3-ylmethylene)malononitrile 75629-62-8 | 5154-39-2 269623 - - 2-(2-Thienyl)benzothiazole 34243-38-4 290787 - - (Z)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethylimino]ammonium 6327-93-1 9576780 - C08504 2-Methoxy-N-(4-(trifluoromethyl)phenyl)benzamide 150225-47-1 966908 - - Bussein B 41060-14-4 101606285 - - 2-Bromo-4-(sec-butyl)phenol 63762-55-0 16641280 - - Anagliptin 739366-20-2 44513473 - - 3-(5-Methyl-1,3-benzoxazol-2-yl)aniline 7509-65-1 348698 - - Troxipide 30751-05-4 | 99777-81-8 5597 - - 4-Fluoro-4'-(phenylethynyl)benzophenone 153354-46-2 4095657 - - NF-kB Activation Inhibitor IV 139141-12-1 15113698 - - 1-Isopropyl citrate 1321-57-9 9816081 HMDB0032438 - 2-(naphthalen-1-yl)-1H-1,3-benzodiazole 2562-81-4 286183 - - 1-(4-Fluorophenyl)propan-2-amine hydrochloride 64609-06-9 | 459-01-8 120675 - - Benzo[b]thiophene-3-carboxaldehyde 5381-20-4 227328 - - 1-Benzyl-3-phenethyl-2-thiourea 35653-54-4 2735506 - - Indeloxazine 60929-23-9 3704 - - 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride 25952-53-8 | 93128-40-6 2723939 - - 3-Bromo-5-nitropyridin-4-ol 31872-65-8 1904593 - - Glyodin 556-22-9 11159 - C18940 3-(1,3,4-Oxadiazol-2-yl)aniline 5378-35-8 16228097 - - Val-Arg 37682-75-0 444523 HMDB0029121 - (4-Methoxy-benzenesulfonylamino)-acetic acid ethyl ester 161315-27-1 3113410 - - Gly-Gly-Val 20274-89-9 193555 - - Tenovin-1 380315-80-0 1013376 - - 2,5-Dimethyl-3-thioisovalerylfuran 55764-28-8 41570 HMDB0037153 - [5-(2-Chlorophenyl)furan-2-yl]methanol 40313-66-4 4796268 - - Phytuberin 37209-50-0 442387 HMDB0035754 C09709 6-Cinnamoyl-1,2-digalloylglucose 115746-70-8 14034236 HMDB0039194 - Kendomycin 183202-73-5 5472093 - - 4-Biphenyl-4-yl-2-methyl-but-3-yn-2-ol 80033-02-9 11379361 - - N-(4-methylphenyl)-1,3-benzothiazol-2-amine 70785-26-1 640711 - - 2,2,6,6-Tetramethyl-4-piperidyl methacrylate 31582-45-3 | 40404-82-8 9815965 - - 1-(4-Hydroxyphenylazo)-2-naphthol 14934-27-1 167212 - C20281 ([1-(3-Fluorophenyl)-1h-imidazol-2-yl]thio)acetic acid 851879-33-9 4961838 - - Alprazolam 28981-97-7 2118 HMDB0014548 C06817 Fluperlapine 67121-76-0 49381 - C10967 Allyxycarb 6392-46-7 22890 - C18947 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione 3336-61-6 767429 - - 4,21-Dehydrocorynantheine aldehyde 85925-15-1 11953961 - C11679 L-Cladinose 3758-45-0 5460588 - C11917 Paraxazone 26513-79-1 3047812 - - Melleolide H 117240-47-8 14166122 HMDB0038788 - Doxycycline monohydrate 17086-28-1 54684461 - - 1-Undecene 821-95-4 13190 HMDB0029551 - 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol 145888-84-2 53462009 HMDB0041091 - Proacaciberin 79197-21-0 656519 - C08337 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid 870704-22-6 | 890006-82-3 940540 - - (E)-2-Butenyl-4-methyl-threonine 81135-57-1 5282047 - C12029 2-Methoxy-6-nitrobenzonitrile 38469-85-1 38048 - - 4-Nitroquinoline N-oxide 56-57-5 5955 - C03474 1-(4-Cyanophenyl)-3-cyclohexylurea 501004-01-9 972813 - - 3-Fluoro-5-(methoxycarbonyl)benzoic acid 660416-36-4 24728920 - - Ethylenebis(N-4-carboxy-2-pyrrolidone) 2761-13-9 102876 - - Brassilexin 119752-76-0 135413564 HMDB0039638 - N-(4-bromophenyl)-2-cyanoacetamide 24522-26-7 693037 - - Rizatriptan benzoate 145202-66-0 77997 - - Azaspiracid-1 214899-21-5 21593892 HMDB0033805 - 2-Oxophytanic acid 22008-47-5 3082203 - - 4-Acetamido-3-fluorobenzoic acid 713-11-1 19434988 - - 2,6-Dichloroquinoline-3-carbaldehyde 73568-41-9 4738515 - - Propaphos 7292-16-2 23717 - C19013 Cyclohexanol 108-93-0 7966 HMDB0012971 C00854 Guanosine 3'-diphosphate 5'-triphosphate 38918-96-6 135398629 HMDB0060480 C04494 1-Benzyl-3-(4-fluorophenyl)urea 29877-40-5 2822855 - - (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 176199-48-7 | 176027-90-0 213056 - - 2-Phenylpropylamine 582-22-9 11398 - - Triethylenephosphoramide 545-55-1 | 27030-72-4 11016 - C19543 Triamiphos 1031-47-6 13943 - C18927 Cardanol monoene 501-26-8 5281854 HMDB0030482 - 5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidine-2,1'-cyclohexane]-4(3H)-thione 130089-88-2 3130935 - - Chlorimuron 99283-00-8 91762 - C18777 2-Hydroxy-3-nitropropanoic acid 36629-54-6 3325078 - - 11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide 197649-68-6 76401227 HMDB0031933 - (2S,3S,4S,5R,6S)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 72072-47-0 155696 - - 2-cyano-N-(4-fluorophenyl)acetamide 1735-88-2 693148 - - Boc-D-proline 37784-17-1 688022 - - Vomifoliol 23526-45-6 | 50763-73-0 5280462 - C01760 C.I. Basic Red 9 479-73-2 11293 - - Eupolauridine 58786-39-3 72486 HMDB0030182 - 3-Methyl-1,3-benzothiazol-3-ium 697-66-5 22490 - - [1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine 1489-04-9 258108 - - 1-(2,4-Dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea 625117-58-0 10378773 - - Ethanol, 2-(dodecylthio)- 1462-55-1 73835 - - Amixetrine 24622-72-8 71911 - - 5-(beta-D-galactopyranosyloxy)-L-lysine 32448-36-5 123986 - - 2-Hydroxyphenylthiourea 1520-26-9 3003569 - - N-[(4-nitrophenyl)carbonyl]phenylalanine 24758-96-1 328003 - - alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- 111537-49-6 183333 - - 5-Nitro-2-(2-pyridinyl)-1H-benzimidazole 51759-60-5 100489 - - Peonidin 3-arabinoside 524943-91-7 91810651 HMDB0038089 - 2',3'-Dideoxy-3'-fluorouridine 41107-56-6 | 207128-22-1 162450 - - 4'-Nitro-3-(trifluoromethyl)-1,1'-biphenyl 346-99-6 12859509 - - Spectinomycin dihydrochloride 21736-83-4 | 22189-32-8 64740 - - 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenoxy-2-(trifluoromethyl)- 137460-59-4 5322253 - - [Asu 1,6] Oxytocin 14317-68-1 3082059 - - Tridihexethyl 60-49-1 20299 HMDB0014648 C07861 1,2-O-Isopropylidene-D-glucofuranose 18549-40-1 87704 - - 4-(2-Aminoethoxy)benzonitrile 67333-09-9 11116359 - - Flutolanil 66332-96-5 47898 - C18502 Etrogol 119417-97-9 10398072 HMDB0039101 - 1-((2-Nitrophenyl)sulfonyl)piperazine 301331-16-8 746514 - - Staphyloxanthin 71869-01-7 56928085 - - Pinguisone 22489-40-3 442388 - C09710 Sampangine 116664-93-8 387195 HMDB0034291 - Fevicordin B 2-gentiobioside 151589-22-9 131751699 HMDB0035296 - N-Desmethyl ulipristal acetate 159681-66-0 15908064 - - Zaleplon 151319-34-5 5719 HMDB0015097 C07484 Sulfanilamide 63-74-1 5333 HMDB0014404 C07458 T-2 Tetraol 34114-99-3 9904331 HMDB0036159 - 6-Hydroxynicotinonitrile 94805-52-4 | 95891-30-8 7062197 - - N-(2-Furylmethyl)-1-phenyl-1-ethanamine 161119-98-8 2759239 - - Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate 906559-46-4 53393784 - - 6-Hydroxytropinone 5932-53-6 | 258887-45-5 51346151 - - Cyenopyrafen 560121-52-0 | 268743-66-4 18772482 - C18545 Calabaxanthone 39011-96-6 341188 HMDB0030655 - Indanofan 133220-30-1 11046097 - C18470 1-Hexanethiol 111-31-9 8106 HMDB0039806 - Geranylcitronellol 36237-66-8 5365870 HMDB0032147 - Gly-Pro-Glu 32302-76-4 3080768 - - Thiamine Disulfide(TDS) 67-16-3 3038097 - C18377 Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)- 14706-41-3 84601 - - Ursodeoxycholic acid 3-sulfate 68780-73-4 21252318 HMDB0002642 - 5-(4-Tert-butylphenyl)-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-YL hydrosulfide 430456-84-1 5350959 - - Flumioxazin 103361-09-7 92425 HMDB0034854 C11035 Phenanthro(3,4-d)-1,3-dioxole-5-ethanamine, N,N-dimethyl- 22108-99-2 161379 - - 11-Hydroxycanthin-6-one 75969-83-4 337601 - C09212 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)- 57000-13-2 100382 - - (2S,3R)-2-aminoheptadecane-1,3-diol 32164-02-6 3247037 - - Methyl 4-amino-2,3-difluoro-5-nitrobenzoate 284030-58-6 2759749 - - Digitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside] 220710-06-5 75072220 HMDB0034321 - Rubiadin 1-methyl ether 7460-43-7 96191 - - N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine 91147-43-2 10198248 - - Acetyldeoxynivalenol 50722-38-8 104759 HMDB0036137 - 6-Methylchrysene 1705-85-7 | 41637-90-5 15564 - C19451 2,3,3-Triphenylacrylonitrile 6304-33-2 | 7136-23-4 22743 - - 4,4'-Thiobis-2-butanone 40790-04-3 61989 HMDB0037155 - Vernoflexin 57576-43-9 442319 - C09578 bisphenol A diglycidyl ether 1675-54-3 2286 HMDB0032737 C14348 2-isonicotinoyl-N-methylhydrazinecarbothioamide 4406-96-6 2824022 - - 1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene 688348-37-0 10062125 - - 8-Hydroxyquercetagetin 87926-83-8 44260065 HMDB0030159 - L-Lysinamide 32388-19-5 439605 - C01930 Diospyrol 17667-23-1 28681 - - Glyphosate-isopropylammonium 38641-94-0 38078 - C18564 2-Octanamidoacetic acid 14246-53-8 84290 HMDB0000832 - Dhurrin 499-20-7 161355 HMDB0060471 C05143 Hydrogen carbonate 71-52-3 767 HMDB0000595 C01353 5-methoxy-1H-indazole-3-carboxylic Acid 90417-53-1 10375306 - - Methylseleno carboxyethylglutamine 26046-89-9 20807051 HMDB0010716 - (2R,3S)-beta-p-Chlorophenylglutamic acid 140924-23-8 6604761 - - Fenfluramine 458-24-2 | 404-82-0 3337 - C06996 Ethiozin 64529-56-2 91689 - - 4-Hydroxybutanoate 1320-61-2 3037032 - - 2-(6-(4-(2-Chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole 944808-88-2 16732433 - - N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine 774553-49-0 961305 - - Phthalamic acid, N-(p-fluorophenyl)- 19336-77-7 97259 - - Nupharamine 17812-38-3 10911986 - C17464 3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 2168-61-8 440483 - C04793 2,2'-Dinaphthylamine 532-18-3 68283 - - Methenamine hippurate 5714-73-8 21945 - - 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate 173932-55-3 71296184 - C20559 Phenazine-1-carboxamide 550-89-0 120282 - - 2-[(3-Chloro-4-methylphenyl)carbamoyl]benzoic acid 19368-34-4 295154 - - 12-Demethylmulticaulin 199986-64-6 467783 - - Cinnamamide 621-79-4 | 22031-64-7 5273472 - - Dinobuton 973-21-7 | 62655-72-5 13783 - C18721 2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro- 7381-13-7 81857 - - Ethanamine, 2,2'-[oxybis(2,1-ethanediyloxy)]bis- 929-75-9 70250 - - (S)-N-Hydroxy-4-(3-methyl-2-phenylbutyramido)benzamide 935881-37-1 6918848 - C77219 5,6,7,8-Tetrahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidine-2,4-dithione 37471-07-1 840128 - - Pridinol 511-45-5 4904 - - 5-Amino-2-(trifluoromethyl)benzimidazole 3671-66-7 19345 - - Octahydro-2H-1-benzopyran-2-one 4430-31-3 20487 HMDB0037276 - 1-(2,5-Dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione 578-29-0 255149 - - 3-Methylcyclohexanethiol 38699-50-2 21259899 HMDB0031537 - 8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 39876-39-6 2737520 - - Tulobuterol hydrochloride 56776-01-3 5702285 HMDB0042056 - Methyl 1-(4-(trifluoromethyl)phenyl)-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate 641639-55-6 22014707 - - 2-Chloro-cis,cis-muconic acid 34521-13-6 5280605 - C03572 2-Hexenyl-beta-glucopyranoside 117017-90-0 6450053 - - 4-[(Diethoxyphosphoryl)methyl]benzoic acid 28149-48-6 13745801 - - Thiophanate-methyl 23564-05-8 3032791 - - 2-(5-(Trifluoromethoxy)-1H-indol-3-yl)ethanamine 467452-24-0 21071596 - - C.I. Acid Orange 3 6373-74-6 5284435 - C19370 {[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy}phosphonic acid 34457-14-2 5280322 HMDB0006353 C00110 (4r,5s,6s,7r)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one 151867-81-1 72404 - - Guazatine 13516-27-3 | 108173-90-6 3526 - - 7-Hydroxy-2',5,6-trimethoxy-4',5'-methylenedioxyisoflavone 7-(2-p-coumaroylglucoside) 158591-66-3 131753042 HMDB0041151 - Octadecyl fumarate 1741-93-1 6436905 HMDB0038073 - 5-Methyl-1,3-benzoxazol-2-amine 64037-15-6 46388 - C76003 (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid 17543-58-7 7020267 - - 4-Heptyloxyphenol 13037-86-0 | 13087-86-0 25641 - - 4-Methylene-L-proline 20309-87-9 152301 HMDB0029434 - 4-Nitrobiphenyl 92-93-3 | 28984-85-2 7114 - C19473 N-Methoxyspirobrassinol methyl ether 113866-41-4 10040237 HMDB0041059 - Dicyclohexyl(2-methylphenyl)phosphine 173593-25-4 560927 - - 5-Chloropyrimidine-4-carboxylic acid 64224-65-3 20029396 - - N-benzylpyrimidin-2-amine 4214-59-9 462456 - - Acetyleugenol 93-28-7 7136 HMDB0034122 C14567 Karbutilate 4849-32-5 312440 - - (1S,17S,19S)-9-Hydroxy-4,5-dimethoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2,4,6,8,10,12(26)-hexaen-15-one 10183-64-9 21603987 - - Acepromazine 61-00-7 6077 HMDB0015552 - Eprotirome 355129-15-6 10299876 - - Propaquizafop 111479-05-1 16213016 - C18886 Methyl dichloroasterrate 398118-62-2 637419 - - Raseglurant 757950-09-7 10331863 - - 6,7,8,9-Tetrahydro-dibenzofuran-2-ol 1133-79-5 121024 - - Gluconasturtiin 499-30-9 656555 HMDB0038423 C08417 (-)-Carbovir 5'-monophosphate 129895-88-1 135565291 - - Telaprevir 402957-28-2 3010818 HMDB0015616 - 1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylurea 69378-09-2 3279858 - - N,N-Dimethyl-2,2-diphenylethylamine 7647-54-3 83632 - - 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid 85633-96-1 2874446 - - 1-Propanesulfonic acid, 3-[[(dimethylamino)thioxomethyl]thio]- 68901-20-2 87838 - - Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- 66671-95-2 181837 - - Niaprazine 27367-90-4 | 119306-37-5 | 119328-74-4 71919 - - Carboxyaminoimidazole ribotide 6001-14-5 165388 HMDB0006273 C04751 (Z)-5-(4-Hydroxy-3-methoxybenzylidene)thiazolidine-2,4-dione 24044-50-6 | 911714-34-6 5708137 - - Prothiofos 34643-46-4 36870 - C18405 1H-Benzimidazole, 1,2-dimethyl-5-(trifluoromethyl)- 63815-72-5 114269 - - 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol 36209-51-5 719823 - - 2-Butoxyethyl 2,4-dichlorophenoxyacetate 1929-73-3 16002 - - tert-Butyl 3-(trifluoromethyl)piperazine-1-carboxylate 886779-69-7 66599850 - - Abacavir 136470-78-5 441300 HMDB0015182 C07624 Z-Gly-Pro-Leu-Gly-Pro 2646-61-9 193354 - C03183 8-Methyl-2-(trifluoromethyl)quinolin-4-ol 1701-19-5 2775089 - - N-(1-Deoxy-1-fructosyl)phenylalanine 87251-83-0 101039148 HMDB0037846 - New fuchsin free base 25739-74-6 18612 - - 7-Fluoro-4-methyl-3,4-dihydro-1H-benzo[E][1,4]diazepine-2,5-dione 78755-80-3 658990 - - 1-(4-Fluorobenzoyl)piperazine 102391-98-0 771862 - - Losartan potassium 124750-99-8 11751549 - - 3,5-Dibromo-n-[4-chloro-3-(4-chlorobenzoyl)phenyl]-2-hydroxybenzamide 67358-44-5 128768 - - Periciazine 2622-26-6 4747 HMDB0015546 - Lichenin 1402-10-4 439241 - C00478 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide 66012-82-6 395810 - - Hovenidulcioside B2 174902-17-1 3083498 HMDB0041549 - N-cyclohexyl[1]benzofuro[3,2-d]pyrimidin-4-amine 65023-80-5 3140652 - - (8E,15E)-1,8,15-Heptadecatriene-11,13-diyne 28834-02-8 131751122 HMDB0031041 - 2-(1h-Tetrazol-5-yl)aniline 18216-38-1 278090 - - 2-[(4-Phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid 71591-64-5 739384 - - Dihydroevocarpine 15266-35-0 5322031 - - Piperacillin 66258-76-2 43672 HMDB0014464 C14034 Benzonatate 104-31-4 7699 HMDB0015006 - 5-[(chloroacetyl)amino]-4-cyano-N,N,3-trimethylthiophene-2-carboxamide 908509-58-0 16640621 - - 1-(4-Methylbenzenesulfonyl)-4-(3-nitropyridin-2-yl)piperazine 940247-09-6 9111347 - - 4-(2-Hydroxyethyl)piperazin-2-one 23936-04-1 1514166 - - 3-Chloro-4-fluorobenzylamine 72235-56-4 144539 - - 3-O-beta-D-Glucopyranosylandrographolide 869384-84-9 11519131 - - 8-Propanoylneosolaniol 111112-47-1 183169 HMDB0038562 - Polypodoside C 120015-17-0 14282756 HMDB0040745 - Xylazine hydrochloride 23076-35-9 68554 - C74190 1,3-Bis(2-methoxyphenyl)urea 1226-63-7 295258 - - PGF2alpha dimethyl amide 67508-08-1 5283075 - - 3-(N-Nitrosomethylamino)propionitrile 60153-49-3 62163 - C19280 Benzyltriphenylphosphonium 15853-35-7 70672 - - (R)-(-)-2-Phenylpropionic acid 7782-26-5 446626 - - Risedronic acid 105462-24-6 5245 HMDB0015022 C08233 2,5-Diamino-4,6-dihydroxypyrimidine 40769-69-5 | 527-57-1 2733981 - - N-(4-ethylphenyl)-4-fluorobenzenesulfonamide 91308-54-2 341403 - - 5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide 638156-11-3 2011756 - - Monomethyl phenylphosphonate 10088-45-6 24913 HMDB0031868 - Dioctylphosphinic acid 683-19-2 99411 - - 4-(dimethylamino)-N-(1,3-thiazol-2-yl)benzamide 851209-55-7 2463677 - - Isoquinolin-1-yl(phenyl)methanone 16576-23-1 280081 - - Methylmalonylcarnitine 256928-70-8 53481628 HMDB0013133 - 1H-Indole-3-carboxylic acid, 1-(((4-methylphenyl)amino)carbonyl)-2-hydroxy-6-(trifluoromethyl)-, ethyl ester 200345-93-3 656759 - - 6-Hydroxydopamine hydrobromide 636-00-0 176170 - - [(1'S,3'R,4'R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate 66176-93-0 441913 - C08935 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one 50685-29-5 956581 - - Formylpyruvate 1069-50-7 150875 - C02150 Dichlorophenyl-bis-triazolylpropanol 81886-52-4 133777 - - 2-Chloro-4-fluorophenylacetic acid 177985-32-9 2725061 - - Pitolisant hydrochloride 903576-44-3 11551689 - C77058 Dihydroactinidiolide 15356-74-8 27209 HMDB0035240 - Atipamezole hydrochloride 104075-48-1 13649426 - - Epinephrine bitartrate 51-42-3 | 24351-82-4 | 16536-89-3 5815 - - 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole 135873-35-7 2736625 - - Gefitinib 184475-35-2 123631 HMDB0014462 - N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]acetamide 433697-54-2 3989717 - - 3-Hydroxy-2-iodo-4-methoxybenzaldehyde 138490-94-5 11265892 - - 2-(5-Mercapto-1,3,4-oxadiazol-2-yl)phenol 29638-33-3 693308 - - 4-Amino-1-benzylpiperidine 50541-93-0 415852 - - Methocarbamol 532-03-6 4107 HMDB0014567 - Arg-gly-asp-ser 91037-65-9 107775 - C77102 2-(4-(Benzyloxy)phenyl)ethanol 61439-59-6 3017260 - - Rhynchotechol 133086-78-9 125585 - - 2-Trimethylaminoethylphosphonic acid 5148-60-7 151927 - C06459 Tris[2-(dimethylamino)ethyl]amine 33527-91-2 263094 - - Demethylsulochrin 59092-92-1 11954191 - - 1,2-Benzisothiazol-3-amine, N-(phenylmethyl)-, 1,1-dioxide 63481-51-6 135401644 - - 2-Amino-4,6-diphenylpyridine-3-carbonitrile 987770 668105 - - 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid 618091-61-5 3701684 - - 3-Oxoalanine 5735-66-0 29 HMDB0011602 - 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one 54334-04-2 3836120 HMDB0034059 - Piperalin 3478-94-2 18996 - - Reboxetine mesylate 98769-84-7 | 141425-90-3 | 105017-39-8 127150 - - Phaseic acid 24394-14-7 5281527 - C09707 1-Pyrrolidinecarboxamide, N,N'-(4-methyl-1,3-phenylene)bis- 60006-11-3 6453890 - - 3-Chloro-4-(dimethylamino)aniline 6085-59-2 80180 - - 1-benzyl-2-(chloromethyl)-1H-imidazole 58610-70-1 736792 - - Dihydrozeatin riboside 22663-55-4 | 64070-21-9 10522005 - - Rubinaphthin A 448962-05-8 11760306 - - N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-furamide 293324-75-1 667742 - - Acromelic acid A 86630-09-3 108086 - C19949 Flazasulfuron 104040-78-0 93539 - C18441 Lomustine 13010-47-4 3950 HMDB0015337 C07079 4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione 326-72-7 255120 - - Brimonidine 59803-98-4 2435 HMDB0014627 C07886 Gluconapin 19041-09-9 9548620 HMDB0038427 C08415 2-Bromo-N-(tert-butyl)propanamide 94318-80-6 | 142713-66-4 154557 - - 2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium(EDDP) 21409-27-8 10110164 HMDB0060931 - 2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-ethylamine 774191-08-1 2106530 - - Benzofuran 271-89-6 9223 HMDB0032929 C14512 COUMARIN, 7-HYDROXY-3-(p-METHOXYPHENYL)-4-PHENYL- 1508-90-3 5359621 - - Stachyose hydrate 10094-58-3 | 54261-98-2 | 470-55-3 2724335 - C13982 4-Amino-2,6-difluoro-5-methylpyrimidine 18260-66-7 1713158 - - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)- 81546-15-8 4836 HMDB0015544 - Ethyl 8-chloro[1,3]dioxolo[4,5-g]quinoline-7-carboxylate 26893-17-4 824579 - - Penitrem F 78213-65-7 3086086 - C20598 Opiniazide 2779-55-7 6871212 - - 5-fluoro-2-(piperidin-3-ylmethyl)-1H-benzimidazole 947014-08-6 25219110 - - N-Nitroso-N-methylurea 684-93-5 | 28606-00-0 12699 - - N-(3-acetamidopropyl)pyrrolidin-2-one 106692-36-8 129397 HMDB0061384 - 1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea 251917-79-0 443080 - - 2-(2,2,2-Trifluoroethoxy)ethanol 2358-54-5 255854 - - 2-Amino-3-bromonaphthalene-1,4-dione 7208-14-2 934233 - - Sulforaphane 4478-93-7 5350 HMDB0005792 - Momordin Ic 96990-18-0 | 195971-47-2 176596 - - N-(3-pyridyl)-Indomethacin amide 261766-29-4 4434869 - - N-[(15Z)-3-hydroxytetracos-15-enoyl]sphingosine-1-phosphocholine 10390-14-4 53481791 HMDB0012654 C00550 Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 124167-97-1 14309754 HMDB0038847 - 1-(Trifluoromethyl)cyclopropanamine 112738-68-8 11651197 - - 2-Propanone, 1-(5-nitro-2H-tetrazol-2-yl)- 131394-19-9 1270252 - - N,N-dimethyl-4-(6-methyl-1H-benzimidazol-2-yl)aniline 69570-95-2 950737 - - 1-Hexadecyne 629-74-3 12396 - - Norsolorinic acid 10254-99-6 25102 - C20452 5-Chloro-2-(methylamino)benzophenone 1022-13-5 13925 - - 2-Methyl-1,3-dithiolane 5616-51-3 21828 HMDB0036179 - 2-amino-4-(4-methylphenyl)-4H-benzo[h]chromene-3-carbonitrile 144464-54-0 3724391 - - N-(piperidin-3-yl)propanamide 886504-11-6 3520588 - - Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel- 119520-05-7 25218684 - - Methylrosaniline 467-63-0 68050 - - Multigilin 64937-25-3 14845451 - C09514 Carpipramine 5942-95-0 2580 - - Oxantel pamoate 68813-55-8 5281086 - - Acetoacetamide, N-(2-benzothiazolyl)- 4692-94-8 20820 - - Purine, 6-(o-nitrobenzylthio)- 5069-63-6 95844 - - 5-Iododeoxycytidine monophosphate 2498-43-3 49866746 - - Cefotetan disodium 74356-00-6 53024 - - Butalamine 22131-35-7 30949 - - Epirizole 18694-40-1 3242 - - Shiromodiol diacetate 20071-58-3 13559439 - C09725 Ethyl (3-chlorobenzoyl)acetate 33167-21-4 2757831 - - Salvilenone 57517-08-5 389885 - - 2-Amino-5-fluoro-3-nitrobenzoic acid 177960-62-2 18548624 - - Narasin B 58439-94-4 191478 - - [(2R,3S,4S,5R,6R)-6-[[(7R,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-methoxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate 101365-07-5 180965 HMDB0035981 - N(1), N(12)-diethylspermine 61345-84-4 4283 - - Fluometuron 2164-17-2 16562 - C18853 8-Hydroxy-5-deazaflavin 37333-48-5 122079 - - Tanshinlactone 105351-70-0 5321617 - - (+/-)-6-Acetonyldihydrochelerythrine 22864-92-2 443700 - - Carbosulfan 55285-14-8 41384 - C18416 2-Tetradecenal 64461-99-0 5283366 HMDB0032525 - Calcium levulinate 591-64-0 11578 - - 5-Fluorotryptamine 576-16-9 164682 - - 4-Bromo-2-formylbenzonitrile 713141-12-9 22030145 - - 2,2',2'',2'''-(Benzene-1,2-diyldinitrilo)tetraethanol 22745-71-7 258224 - - N-(morpholine-4-carbothioyl)benzamide 40398-30-9 696258 - - (±)-3-Hydroxynonanoic acid 88930-09-0 36599 HMDB0031513 - 1-Benzyloxy-1-(2-methoxyethoxy)ethane 7492-39-9 22235151 HMDB0037135 - Telithromycin 191114-48-4 3002190 HMDB0015111 - 4,4'-Oxybis(benzoylhydrazide) 13092-49-4 139385 - - N-(2,2,2-trifluoroethyl)morpholine-4-carbothioamide 639520-25-5 47002562 - - N2-Oxalylarginine 90250-86-5 86250758 HMDB0032763 - Lemidosul 88041-40-1 3038493 - - Dichamanetin 58779-09-2 181193 - - Neratinib 698387-09-6 9915743 - - Glucolepidiin 101144-39-2 656547 - C08413 N-Benzyl(3-chlorophenyl)methanamine 501033-40-5 4722374 - - (3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione 15136-24-0 25220884 - - 3-(4-bromophenyl)-7-hydroxy-4H-chromen-4-one 96644-05-2 5398367 - - 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene 1709-70-2 74370 - - Domiphen bromide 538-71-6 10866 - - p-Octyloxybenzylidene p-cyanoaniline 41682-73-9 142540 HMDB0038223 - 4-(2-Morpholinoethyl)-3-thiosemicarbazide 77644-45-2 736209 - - Carbendazim 10605-21-7 25429 HMDB0031769 C10897 Diafenthiuron 80060-09-9 3034380 - C18781 3-Methyl-1-phenylpent-1-yn-3-ol 1966-65-0 102729 - - Val-Met 14486-09-0 292427 - - SIS3 free base 521985-36-4 10138988 - - N-(Chloroacetyl)allylamine 13269-97-1 98788 - - 3-O-Sulfogalactosylceramide (d18:1/26:1(17Z)) 928346-40-1 53481404 HMDB0012319 C06125 Orcinol 504-15-4 10436 HMDB0039777 C00727 PA(P-16:0/18:2(9Z,12Z)) 937723-92-7 52929743 HMDB0011155 C15647 3-Iodo-5-nitroaniline 10394-64-6 25225 - - Polidocanol 3055-99-0 | 9043-30-5 656641 - - Dipotassium glycyrrhizinate 68797-35-3 656852 - - 2-Furan-2-yl-ethylamine 1121-46-6 1132863 - - Nomegestrol acetate 58652-20-3 91668 - - beta-Lipotropin (61-64) 60254-82-2 6453937 - - 3-Chloropropyl p-toluenesulfonate 632-02-0 69434 - - 5-(Ethylsulfonyl)-2-methoxyaniline 5339-62-8 79278 - - 2-Benzamido-5-phenylthiophene-3-carboxylic acid 380646-20-8 709215 - - tert-Butyl 4,4-difluorocyclohexylcarbamate 675112-67-1 22175003 - - 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole 2367-17-1 5067013 - - 1,2,3-Tris(chloromethoxy)propane 38571-73-2 62896 - C19544 4,5-DIDEMETHYLSIMMONDSIN 135074-86-1 101993520 - - Perillartine 30950-27-7 | 138-91-0 5365782 HMDB0035652 - Isobutyrylmallotochromene 116964-16-0 189453 - C09009 Robalzotan 169758-66-1 3055171 - - 1,3-Butadiene 106-99-0 7845 HMDB0041792 C16450 Chlorobiocic acid 114515-20-7 54691345 - C12471 3-Bromo-4-(trifluoromethoxy)phenol 886496-88-4 2757194 - - Ibutilide fumarate 122647-32-9 5281065 HMDB0014453 - Benzyl isoeugenol 120-11-6 764139 HMDB0032349 - Cardanoldiene 51546-63-5 5356113 HMDB0029816 - 3-Dihydropyridine-2,6-dicarboxylic acid 71199-31-0 135906819 HMDB0012221 C08543 2-(Diethylamino)-1-phenylpropan-1-OL 18259-38-6 12235157 - - Nidificene 54928-01-7 14865953 - C17116 Methoxy arachidonyl fluorophosphonate 188404-10-6 10429254 - - 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 39077-64-0 3003768 - - 3,5-Didecanoylpyridine 149682-93-9 85697557 HMDB0035515 - Sultamicillin 76497-13-7 | 83105-70-8 444022 - - N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]octadecanamide 67964-87-8 594460 - - N-Methylmethanesulfonamide 1184-85-6 97632 - - Tomentosin 33649-15-9 155173 - C09562 JWH 210-d9 1651833-52-1 154735118 - - Carpipramine maleate 100482-23-3 23724520 - - 4-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline 92554-86-4 1380741 - - N-Desbenzyl N-tert-butyloxycarbonyl Donepezil 948550-60-5 45356836 - - Clobenzorex 13364-32-4 71675 HMDB0041858 - Protocetraric acid 489-51-0 5489486 - - 5-Hydroxytryptophan 56-69-9 | 114-03-4 | 72572-98-6 144 HMDB0000472 C01017 2-(Methylthio)ethyl glucosinolate 27303-30-6 131752358 HMDB0038408 - 5-Amino-1-methyl-1h-pyrazole-4-carboxamide 18213-75-7 265696 - - Glucocapparin 497-77-8 5281133 HMDB0038429 C08404 4-Chlorochalcone 956-04-7 | 22252-16-0 5377022 - - ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate 122111-01-7 9821015 - - Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone 129314-86-9 526189 HMDB0040237 - Dimefox 115-26-4 8264 - C18980 DL-Ornithine 616-07-9 | 128551-39-3 | 7006-33-9 389 HMDB0000214 C01602 1-Acetyl-2-pyrrolidinecarboxamide 30130-35-9 314477 - - (S)-(-)-Win 55,212 mesylate 137795-17-6 19366775 - - 1,1,3-Triphenylpropargyl alcohol 1522-13-0 137058 - - Pentapropylene glycol 21482-12-2 9836244 - - 2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-2,3-dihydro-4H-chromen-4-one 70460-59-2 248583 - - N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine 369397-92-2 697226 - - 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}acetic acid 153783-86-9 4195782 - - 4-chloro-3-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-furyl}benzoic acid 6354-28-5 1348982 - - KC7f2 927822-86-4 16047442 - - Anhydrovinblastine 38390-45-3 443324 - - [Hydroxy(tosyloxy)iodo]benzene 27126-76-7 325434 - - Trazodone hydrochloride 25332-39-2 | 19666-36-5 62935 - - Medicagenic acid 599-07-5 65048 - - 5-Hydroxy-4-methoxy-6-canthinone 3-N-oxide 129722-98-1 348295746 HMDB0040794 - N,N-Dimethylhistamine 673-46-1 12656 HMDB0033438 - Fluphenazine enanthate 2746-81-8 3389 - C07955 Tecloftalam 76280-91-6 53469 - - 4-Piperidinecarboxamide 39546-32-2 3772 - - 2-(Pyridin-3-ylmethoxy)aniline 105326-60-1 8027171 - - Phytolaccasaponin B 60820-94-2 173768 HMDB0034638 - Sulfobromophthalein 297-83-6 5345 - - n-(3,4-Dimethylphenyl)hydrazinecarbothioamide 6610-33-9 773786 - - 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-, 1,1-dioxide 93739-45-8 54692969 HMDB0014098 - Doxorubicinol 54193-28-1 83970 HMDB0041884 - Epimedin B 110623-73-9 5748393 - - Isonicotinamidine 33278-46-5 409094 - - 2-[(4-Chlorophenyl)amino]naphthalene-1,4-dione 3144-89-6 279010 - - 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine 77373-45-6 336250 - - 12-Hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione 20283-48-1 14976 - - Cyperquat 48134-75-4 39484 HMDB0033123 - 3',4',6-TRIMETHOXYISOFLAVONE-7-O-beta-D-GLUCOPYRANOSIDE 59183-50-5 74765373 - - 5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide 691410-93-2 10433927 - - Octaethylporphyrin 2683-82-1 102311 - - 6-fluoro-3-(piperidin-4-yl)-1H-indole 76315-55-4 11096077 - - Hellicoside 132278-04-7 5281778 - C10466 3-Hydroxy-L-valine 2280-27-5 192763 - - 1,2,2'-Trisinapoylgentiobioside 155380-01-1 131753036 HMDB0041127 - Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one 361475-68-5 131752773 HMDB0039970 - N-tetracosanoylphytosphingosine 34437-74-6 10462091 - C00195 5-Chloro-2-(piperidin-1-yl)pyrimidine-4-carboxylic acid 329268-90-8 2325055 - - 3,3-Bis(4-(dimethylamino)phenyl)phthalide 5339-80-0 79281 - - 2,2,6,6-Tetramethyl-1,3-dithiane-4-thione 57274-32-5 567272 - - N-benzyl-4-cyclopentylpiperazine-1-carboxamide 929095-93-2 40012125 - - N-dodecanoyl-L-Homoserine lactone 137173-46-7 10221437 - - Halometasone 50629-82-8 9846332 - - tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate 158407-04-6 15512811 - - Beta-Cortol 667-65-2 246164 HMDB0005821 - 2-(2,4-Dichlorophenyl)-1,3-thiazolidine 67189-27-9 3050889 - - Azilsartan 147403-03-0 135415867 - - Paraherquamide E 125600-53-5 9898611 - - 5-Amino-2-fluorobenzonitrile 53312-81-5 2737673 - - 2-Amino-5-fluoro-3-iodopyridine 823218-51-5 18455974 - - 3-[(1r,2r,3r,5s)-3,5-Dihydroxy-2-(3-oxooctyl)cyclopentyl]propanoic acid 24379-94-0 168168 - - Venturicidin A 33538-71-5 10055855 - - 5alpha-Campestane 50897-35-3 6857533 - C19665 Chlortetracycline hydrochloride 64-72-2 | 165101-50-8 54682468 - - 2-[[(2E,4E,6E,11R)-12-[(4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-11-hydroxydodeca-2,4,6-trienoyl]amino]-5-(diaminomethylideneamino)pentanoic acid 115204-07-4 6438431 - - (R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide 80875-07-6 13362143 HMDB0034910 - N-cyclohexylthiomorpholine-4-carboxamide 72662-48-7 756716 - - Bupropion hydrochloride 31677-93-7 | 234447-17-7 62884 - - Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene 22518-06-5 11472669 HMDB0032698 - Mitomycin A 4055-39-4 19972 - C21161 MAFP cpd 180509-15-3 25021170 - - Rucaparib 283173-50-2 9931954 - C74459 Metronidazole 443-48-1 4173 HMDB0015052 C07203 2,6-Dinitro-4-(4-nitrophenyl)phenol 13684-31-6 262250 - - Decaprenoxanthin 28368-06-1 6443309 - - Carnitine C17:0 106182-29-0 53477803 HMDB0006210 - Methyl 4-bromo-2-(methylsulfonyl)benzoate 773134-43-3 53393139 - - L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)- 139694-65-8 65004 - - Doxazosin mesylate 77883-43-3 62978 - C76492 N(5)-phenyl-L-glutamine 5963-60-0 18603770 - C20843 Grossamide 80510-06-1 5322012 HMDB0040370 - S-Isopropyl 3-methylbut-2-enethioate 34365-79-2 118658 HMDB0032354 - Leu-Pro-Leu-Arg-Phe-NH2 88280-21-1 13858264 - - (S)-5'-Deoxy-5'-(methylsulfinyl)adenosine 897-42-7 13342874 HMDB0033662 - Ursiniolide A 52677-96-0 5281507 - C09572 Diloxanide furoate 3736-81-0 19529 HMDB0015684 C07637 Pranlukast 103177-37-3 4887 - C71133 6-Amino[1,2]dithiolo[4,3-b]pyrrol-5(4H)-one 488-03-9 15559639 - - 2-Bromo-3,3,3-trifluoro-1-(4-methylpiperazin-1-yl)propan-1-one 1031927-96-4 43865974 - - Dithieno[3,2-b:2',3'-d]thiophene 3593-75-7 | 98507-51-8 137985 - - 3,4,5-Trifluorobenzoic acid 121602-93-5 | 255875-61-7 853154 - - 2-Phenylpropan-1-amine hydrochloride 20388-87-8 | 52991-03-4 89332 - - 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile 51516-70-2 688685 - - N,N-Dimethyl-N'-(3-thienylmethyl)-1,2-ethanediamine 892593-13-4 4723866 - - (2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 143236-02-6 10031185 - - Fusapyrone 156856-31-4 54710122 - - 5-Methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione 68524-21-0 2835307 - - Isocil 314-42-1 9412 - C19108 Fortimicin AP 74958-29-5 46174018 - C17975 Radicicol 12772-57-5 6323491 - - N-cyclohexylphenothiazine-10-carboxamide 371937-04-1 705769 - - Cloperastine 3703-76-2 2805 - - Apparicine 2122-36-3 5281349 - C09036 Laccaic acid D 18499-84-8 9883304 HMDB0029508 - 5-(Trifluoromethoxy)isatin 169037-23-4 2732752 - - 9-(4-Bromophenyl)-9H-carbazole 57102-42-8 22361390 - - 3-((Bis(diisopropylamino)phosphino)oxy)propanenitrile 102691-36-1 128153 - - Ethyl 2-amino-5-iodothiazole-4-carboxylate 860646-12-4 45117588 - - Hydroxykynurenine 484-78-6 89 HMDB0000732 C02794 Guanylurea cimetidine 77076-18-7 | 52568-80-6 131743 - - Clothianidin 205510-53-8 86287519 - C18508 2'-Deoxysepiapterin 1797-87-1 135703419 HMDB0000389 - Prolylphenylalanylarginine 23846-09-5 11166015 - - C.I. Vat Yellow 4 128-66-5 31412 - C19545 5-(Naphthalen-1-yl)-1,3,4-oxadiazole-2-thiol 116082-89-4 9815997 - - 3,7,11,15-tetramethyl-2E-hexadecenal 13754-69-3 14035234 HMDB0035654 - [(E)-2-[(3aR,4R,6R,6aS,7R,9aR,9bR)-7-acetyloxy-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl]oxycarbonylbut-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate 53142-46-4 5281500 - C09551 Uroporphyrinogen III 1976-85-8 1179 HMDB0001086 C01051 (+)-Cloprostenol isopropyl ester 157283-66-4 59938277 - - N-(2-Oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide 946270-26-4 16927350 - - 29-Hydroxyfriedelan-3-one 39903-21-4 14108943 - - 2-Amino-5-methylbenzothiazole 14779-17-0 26889 - - Cefpodoxime 82619-04-3 6335986 HMDB0015486 C08114 Ethyl 4-(benzoylcarbamothioylamino)benzoate 69165-46-4 708478 - - 4-Amino-2-chloro-6,7-dimethoxyquinazoline 23680-84-4 | 2680-84-4 90235 - - 3-(Hydroxymethylphosphinyl)propionic acid 15090-23-0 84788 - - Lincomycin hydrochloride 859-18-7 | 7179-49-9 64710 - - Trimetazidine dihydrochloride 13171-25-0 83201 - - Sodium cholate 361-09-1 | 206986-87-0 23668194 - - Tranilast 53902-12-8 | 70806-55-2 | 53902-17-3 5282230 - - 1,10-Phenanthroline monohydrate 5144-89-8 21226 - - Methacholine chloride 62-51-1 6114 - C75939 (4S,5Z,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester 32619-42-4 6325757 HMDB0035872 C09794 Ethyl eburnamenine-14-carboxylate 77549-94-1 | 68780-77-8 5673 - - Eliglustat 491833-29-5 23652731 - - Scriptaid 287383-59-9 5186 - - Diphenylpyraline hydrochloride 132-18-3 66063 - - Pyrilamine maleate 59-33-6 5284451 - - Difloxacin hydrochloride 91296-86-5 56205 - - 15(S)-HPETE 70981-96-3 5280893 HMDB0004244 C05966 Xanthinol niacinate 437-74-1 9912 - - Val-Val-Val 28130-13-4 7020215 - - Met-pro 59227-86-0 11893572 HMDB0028981 - Leu-Asn 14608-81-2 7016078 - - Belinostat 414864-00-9 | 866323-14-0 6918638 - - Pefloxacin mesylate dihydrate 149676-40-4 6917670 - - Lisinopril dihydrate 83915-83-7 5362118 HMDB0001938 - Diphenidol hydrochloride 3254-89-5 66266 - - 9,10-DHOME 263399-34-4 9966640 HMDB0004704 - (Z)-5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid 240405-20-3 5283032 - - Ophthalmic acid 495-27-2 7018721 HMDB0005765 - Thr-Met 90729-28-5 7020165 - - (1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol 26000-17-9 441746 - C08697 5-Hydroxy-7-methoxy-2-phenylchroman-4-one 480-37-5 73201 - - 9-OxoOTrE 125559-74-2 11380794 - - N-cis-octadec-9Z-enoyl-L-Homoserine lactone 1400974-23-3 71684636 - - Saucernetin 83377-13-3 443018 - - methyl (12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate 4429-63-4 12443182 - - Thiophen-3-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate 390824-17-6 9801139 - - 3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one 570-52-5 101773 - - Avocadyne 1-acetate 24607-06-5 3952079 HMDB0031048 - Tert-butyl 4-((3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)methoxy)piperidine-1-carboxylate 857652-30-3 11462546 - - H-Leu-val-OH 13588-95-9 6993116 - - Methyl alpha-eleostearate 4175-47-7 21718552 - - 3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione 125313-65-7 2403 - - (3aR,4R,5R,6aS)-5-Hydroxy-4-((R)-3-hydroxy-5-phenylpentyl)hexahydro-2H-cyclopenta[b]furan-2-one 145667-75-0 10267038 - - 12-[(Cyclohexylcarbamoyl)amino]dodecanoic acid 479413-68-8 22978774 - - Nvp-aew541 475489-16-8 | 475488-34-7 11476171 - - 13(S)-HpOTrE(gamma) 121107-97-9 73242172 - - 5-trans U-44069 330796-57-1 91746438 - - methyl {3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate 39924-52-2 | 1211-29-6 | 20073-13-6 5319693 HMDB0036583 - N-[(2R)-1-Hydroxypropan-2-yl]hexadecanamide 142128-47-0 15667271 - - Val-trp 24587-37-9 168182 HMDB0029138 - Dicumarol 66-76-2 54676038 HMDB0014411 C00796 (9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid 87984-82-5 16061072 - - 9(S)-HpODE 29774-12-7 9548877 HMDB0062434 C14827 Cys-Asp-Pro-Gly-Tyr-Ile-Gly-Ser-Arg 110590-60-8 9811758 - - Pac-1 315183-21-2 135421197 - - Latanoprost(free acid)-d4 1224443-47-3 131668296 - - 13(S)-HODE-d4 139408-39-2 102602143 - - (6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene 174627-50-0 5311215 - - Lysyl-D-prolylthreonine 117027-34-6 159483 - - (1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol 149022-18-4 3008318 - - CYMARIN 508-77-0 10504 - - 12S-HHT 54397-84-1 5283141 HMDB0012535 C20388 Ametryn 834-12-8 - - C18700 10,11-Dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 465-00-9 5320146 HMDB0034502 - 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethanone 2854-32-2 2415 - - N-(N-Glycyl-L-leucyl)glycine 2576-67-2 96805 - - Chaetocin 28097-03-2 146158463 - - PAz-PC 117205-52-4 46907870 - C00157 13,14-dehydro-15-cyclohexyl Carbaprostacyclin 145375-81-1 10088987 - - 8-iso-15-keto Prostaglandin F2 191919-01-4 349706801 - - LEVULINIC ACID,3-BENZYLIDENYL- 26717-32-8 5951068 - - Pov-pc 121324-31-0 23557187 - C00157 delta-CEHC 84599-16-6 11536125 - - 16(S)-Hete 183509-23-1 25320821 - - (S,E)-2-Amino-5-((amino(methylthio)methylene)amino)pentanoic acid dihydrochloride 209589-59-3 2733508 - - 13,14-dihydro-15-keto-tetranor Prostaglandin F1beta 23015-45-4 52195782 - - DL-Histidyl-DL-histidine 2733-45-1 101638 HMDB0028887 - (S)-2-Benzhydrylpyrrolidine hydrochloride 188398-87-0 71300054 - - Lysyl-alanyl-alanine 33755-56-5 5496556 - - (5Z,8Z,11Z,14Z)-N-(3-Furanylmethyl)-5,8,11,14-eicosatetraenamide 390824-20-1 10199993 - - Enantio-PAF C-16 117985-57-6 2499 - C00157 Atrovent Hfa 60205-81-4 3746 HMDB0014476 - H-Ala-Abu-OH 39537-33-2 7019035 - - Z-Asn-Gly-OH 56675-97-9 53645221 - - 15(S)-Hede 92693-04-4 13723964 - - 15(S)-HETE-d8 84807-87-4 16061122 - - (3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one 26054-67-1 12895812 HMDB0240213 - (+)-Aschantin 13060-15-6 122643 - C17845 Propyphenazone 479-92-5 3778 - - Selfotel 110347-85-8 | 113229-62-2 68736 - - Glycine, L-alanyl-L-valyl- 69288-25-1 452666 - - N-Arachidonoyl Dopamine-d8 1159908-42-5 52922082 - - Prostaglandin F1a-d9 1542166-81-3 156593931 - - Oleoyl oxazolopyridine 288862-58-8 9821458 - - 3alpha-Hydroxy-17-acetoxy-6alpha-methyl-5beta-pregnan-20-one 71315-38-3 91810534 - - Ala-ile 29727-65-9 7408079 - - 17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid 155976-53-7 53477502 - - ethyl (8Z,11Z,14Z,17Z)-icosatetraenoate 123940-93-2 6449488 - - Methyl (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoate 109837-85-6 | 24058-13-7 11012363 - - Ile-Ala 24787-73-3 7009577 - - Prolylglutamic acid 67644-00-2 194260 - - 30-Hydroxy-11-oxo-beta-amyrin 14226-18-7 12310283 HMDB0039690 C20510 (3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one 132943-49-8 131752180 HMDB0037382 - (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol 276864-98-3 131751949 HMDB0036304 - 3beta-Fluoro-5beta-pregnan-20-one 6943-62-0 244125 - - C.I. Natural Red 20 54952-43-1 | 23444-65-7 | 11019-15-1 | 85921-41-1 5208 HMDB0030579 - 5,9:6,9-Diepoxy-4-megastigmene 133661-30-0 73817713 HMDB0038529 - 3alpha,7alpha,12alpha,19-Tetrahydroxy-5beta-cholan-24-oic Acid 171524-64-4 5283905 HMDB0000340 - (E,E)-4,4''-Bi(N-4-hydroxycinnamoylserotonin) 175702-01-9 11764751 HMDB0041431 - Adouetine X 19542-37-1 5281577 HMDB0034216 C09993 (6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid 2190492-37-4 134819276 HMDB0062357 - (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol 243449-54-9 131751467 HMDB0033633 - (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol 3-glucoside 99782-87-3 131751370 HMDB0033089 - 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one 1649-30-5 243750 - - Avocadyne 2-acetate 37139-04-1 71694412 HMDB0031047 - 2-Ammonio-3-sulfanylpropanoate 7242-49-1 5260155 - - (3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol 200942-15-0 131751259 HMDB0032107 - methyl (1S,15R,17S,18S)-6-[(1S,12R,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1R)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate 4835-65-8 102483318 - - (3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one 90524-90-6 73834440 HMDB0039713 - (3beta,22E,24R)-Ergosta-4,6,8(14),22-tetraen-3-ol 104729-39-7 131753018 HMDB0041050 - 1-Acetoxy-2-hydroxy-16-heptadecen-4-one 25346-18-3 56968446 HMDB0031006 - (3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one 211486-12-3 131751277 HMDB0032669 - (3beta,9beta)-7-Drimene-3,11,12-triol 101470-79-5 14433069 HMDB0036053 - (3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol 211486-11-2 131751276 HMDB0032668 - 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-2,7-dihydronaphtho[2,3-b]oxirene-2,7-diol 81382-12-9 5280846 HMDB0004198 - (9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid 503-07-1 | 17966-13-1 6449780 - - 17-Propyl-5alpha-androst-2-en-17beta-ol 7148-38-1 247835 - - Vinaginsenoside R14 156398-73-1 85084513 HMDB0040779 - (2R)-2-[(2R,3R,4S)-3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-hydroxyethyl dodecanoate 9005-67-8 22833389 HMDB0037183 - 17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one 7163-56-6 254077 - - N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 71977-73-6 21252317 HMDB0002640 - 3a,21-Dihydroxy-5b-pregnane-11,20-dione 566-03-0 44263347 HMDB0006755 C05478 (6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid 2190485-67-5 134819283 HMDB0062365 - [(2R,6R)-6-[(7S,10S,12R,13R,17S)-3,12-dihydroxy-10,13-dimethyl-7-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate 101691-14-9 181025 - - 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid 17974-66-2 5284239 HMDB0000359 - 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene 15129-55-2 11745236 HMDB0030007 - methyl (1R,12R,14S,15E)-12-[(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl]-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate 59626-92-5 5281410 - C09242 3-(11,12-Dihydroxy-15,19-dotriacontadienyl)-5-methyl-2(5H)-furanone, 9CI 185336-15-6 131750907 HMDB0029795 - (3b,6a,12b,20S,23E)-Dammar-23-ene-3,6,12,20,25-pentol 6,20-diglucoside 226712-34-1 131751603 HMDB0034668 - 11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one 51773-60-5 236179 - - 2-[[3,12-dihydroxy-17-(2-methoxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 340270-88-4 85237385 HMDB0038016 - Bipindogulomethyloside 53152-43-5 3735942 HMDB0030623 - Acrimarine J 147395-90-2 131752805 HMDB0040386 - 3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acid 62681-12-3 443323 - - (3b,22a)-12-Oleanene-3,22,24,29-tetrol 3-[arabinosyl-(1->3)-arabinoside] 211944-26-2 131751627 HMDB0034818 - (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acid 55304-02-4 21607811 HMDB0034651 C19865 (3b,21b)-12-Oleanene-3,21,28-triol 28-[arabinosyl-(1->3)-arabinosyl-(1->3)-arabinoside] 243468-98-6 131751469 HMDB0033641 - dXTP 16541-23-4 439490 - C01348 Gymnemic acid I 122168-40-5 11953919 - C08947 Debromoaplysiatoxin 52423-28-6 440576 - C05148 Amikacin sulfate 39831-55-5 38351 - - Armillane 126006-69-7 131751864 HMDB0035779 - Pyridostigmine bromide 101-26-8 7550 - - 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)- 526-13-6 12312780 - - (R)-2-Amino-3-(4-cyanophenyl)propanoic acid 263396-44-7 1501864 - - Tipiracil hydrochloride 183204-72-0 9903778 - - Pyrido[2,3-d]pyrimidin-7(8H)-one,2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl- 1013101-36-4 25033539 - - Piperazine phosphate 18534-18-4 64733 - C12839 Sodium phenylbutyrate 1716-12-7 5258 - - (1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one 53369-00-9 1268251 - - Alprenolol hydrochloride 13707-88-5 | 15132-12-4 66368 - C72492 [Ile3] Pressinoic Acid 34330-23-9 468802154 - - Dephospho-CoA 3633-59-8 439335 HMDB0001373 - 2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one 79973-96-9 3397366 - - Proadifen hydrochloride 62-68-0 65341 - - 3-Hydroxy-3-(trifluoromethyl)piperazin-2-one 89972-18-9 4961757 - - N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide 2180933-90-6 118796517 - - Lidocaine hydrochloride 73-78-9 6314 - - 1-Octen-3-yl primeveroside 209863-01-4 24094121 HMDB0032960 - Demeton-O 298-03-3 9273 - C18977 [4-Amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone 371128-48-2 1613361 - - Ser-Leu-Ile-Gly-Lys-Val-amide 190383-13-2 10483914 - - (3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid 462068-66-2 | 436099-71-7 764459 - - Metaraminol bitartrate 33402-03-8 | 17171-57-2 441414 - - Sunitinib malate 341031-54-7 6456015 - - Bromhexine hydrochloride 611-75-6 5702220 - - Adpbetas 35094-45-2 5310996 - - [(6S,9R,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate 66852-54-8 48175 HMDB0014734 - Glycerol 1-propanoate diacetate 36600-62-1 20111767 HMDB0031640 C00422 3-Methyloxindole - 150923 HMDB0304943 C02366 1-Deoxyvaleric-acid - 71448993 - C20404 4-aminobenzoate - 4876 HMDB0304171 - DL-Citrulline - 833 HMDB0250742 - Tetradecylamine - 16217 HMDB0258887 - 2-Hydroxybenzaldehyde - 6998 HMDB0034170 C06202 Thiamine hydrochloride - 6202 HMDB0303167 - N-(2-hydroxyethyl)icosanamide - 3787294 HMDB0248559 - Glycyl-L-phenylalanine - 92953 HMDB0028848 - Tetraethylene glycol - 8200 HMDB0094708 - 1,3-Dicyclohexylurea - 4277 HMDB0244166 - 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid ester - - - - Diaveridine - 21453 HMDB0251144 - Gelsemin - 279057 HMDB0252666 - LPC(15:0/0:0) - 24779458 HMDB0010375 C00157 Thr-Val-Leu - 49864481 - - 6'-Methoxycinchonan-9-ol - 1065 HMDB0242153 - Isoevodiamine - 151289 HMDB0252138 - TRIPHENYL PHOSPHATE - 8289 HMDB0259262 C14235 Avobenzone - 51040 HMDB0248746 - Prednisone - 5865 HMDB0014773 C07370 1-Indanone - 6735 HMDB0059602 C01504 1-Pentadecanoyl-glycero-3-phosphoethanolamine - 52925150 HMDB0011502 C00157 Fingolimod - 107970 HMDB0252262 - N-Acetylhistidine - 75619 HMDB0032055 C02997 Miltefosine - 3599 HMDB0254735 - Thr-Phe - 4099799 HMDB0029068 - 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)- - 13069290 HMDB0014660 - Ile-Asp - 14304554 HMDB0028903 - PC(O-16:0/O-2:0) - - - C00157 FFA(18:5) - 5312511 - - Pro-val - 142984 HMDB0029030 - Ketanserin - 3822 HMDB0253783 C07464 (3beta,9xi,22S,23R)-3-Hydroxy-17,23-epoxyveratraman-11-one - 56776301 - - Pentadecylamine - 17386 HMDB0243828 - Phenacetin - 4754 HMDB0256387 C07591 Disopyramide - 3114 HMDB0014425 C06965 Zebularine - 100016 - - 2-Phenylglycine - 3866 - - Spironolactone - 5833 HMDB0014565 C07310 Apatinib - 11315474 HMDB0248505 - Nicorandil - 47528 HMDB0255584 C13280 N,N-Dimethylformamide - 6228 HMDB0001888 C03134 Carnitine C23:5 - - - - Fenbufen - 3335 HMDB0252193 - LPC(18:3/0:0) - 24779469 HMDB0010388 C00157 Piperonyl butoxide - 5794 - C18880 Butenoyl-PAF - 45138381 - C00157 Naftopidil - 4418 HMDB0255427 - N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide - 42625202 - - 9alpha,11alpha,15R-Trihydroxy-17-phenyl-18,19,20-trinor-prost-5Z-en-1-oic acid, isopropyl ester - 59954578 HMDB0014792 - Leu-phe - 6992310 - - Ethopabate - 6034 - - Trp-Thr - 17773480 HMDB0029093 - Octadecadienamide - 54225156 - - LPC(20:5/0:0) - 11757087 HMDB0010397 C00157 Sdccgsbi-0051046.P002 - 2723877 HMDB0003573 - (S)-3-(2-Methylphenoxy)propane-1,2-diol - 4059 HMDB0247880 - Asn-Met - 9813901 HMDB0028737 - Iloperidone - 71360 HMDB0253402 - Ile-ile-thr - 145456184 - - D-Mannose 6-phosphate - 65127 HMDB0304312 C00275 Bisacodyl - 2391 HMDB0249262 - 2-Aminoadipic acid - 469 HMDB0302754 C00956 Ile-Lys - 14299177 HMDB0028912 - Trp-His - 10154381 - - Ciprofibrate - 2763 HMDB0250268 - LPC(0:0/18:3) - 134777355 - C00157 2-Hexadecenal - 5280541 HMDB0060482 C06123 PC(O-16:0/O-1:0) - - - C00157 Penfluridol - 33630 HMDB0256224 - 3'-Carbamoyl-6-hydroxybiphenyl-3-yl cyclohexylcarbamate - 53394762 - - (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylate - 40467242 HMDB0015042 - 7-Amino-9alpha-methoxymitosane - 351727 HMDB0014450 - Caffeine - 2519 HMDB0001847 C07481 LPE(16:1/0:0) - 52925129 HMDB0011504 C00350 Milbemycin A3 oxime - 20056432 - - Octocrylene - 22571 HMDB0255910 - Nicotine - 89594 HMDB0001934 C00745 Pentoxifylline - 4740 HMDB0014944 C07424 Xylazine - 5707 HMDB0259938 - Carbetapentane - 2562 HMDB0249630 - LPC(O-0:0/18:0) - - - C00157 Racecadotril - 107751 HMDB0251682 - Hymecromone - 5280567 HMDB0059622 C03081 Cys-Phe - 18218198 HMDB0028782 - 1,10-Phenanthroline - 1318 HMDB0244053 C00604 Ganoderic acid Md - 131751708 HMDB0035331 - Parecoxib - 119828 HMDB0256127 - N-(3-(Aminomethyl)benzyl)acetamidine - 1433 HMDB0254998 - Leu-Val-Ser - 9858135 - - Confertifoline - 435751 - - VERBENONE - 29025 HMDB0259787 C09913 Ampiroxicam - 2176 HMDB0248361 - Hydroxyecdysone - 21362 - - 6-Phosphogluconic acid tri(cyclohexylammonium) salt, Grade V - 16212687 - - Arg-Thr - 145453488 HMDB0028719 - Tyr-Cys - 18642383 HMDB0029102 - Serylarginine - 9856515 HMDB0029033 - Hexetidine - 3607 HMDB0253159 - [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate - 44335616 - - Fenspiride hydrochloride - 68626 - C75367 Almonertinib - 121280087 - - Feruloylcholine - 131751314 HMDB0032800 - DL-Arginine - 232 HMDB0251511 C02385 Alanylarginine - 9964828 HMDB0028681 - Ethisterone - 5284557 HMDB0060580 C14487 2,4-diacetamino-2,4,6-triphenoxy-D-mannopyranose - 52940203 - C20424 mycosporine-glutaminol - 101835613 - - Vitexin - 5280441 HMDB0301980 C01460 Masitinib - 10074640 HMDB0254344 - LPE(17:1/0:0) - 154573379 - C04438 9-Hydroxyfluorene - 74318 HMDB0059803 C06711 Carnitine C22:2 - 71464511 - - Pro-Ile - 7079600 - - Phe-Val-Asp - 44232355 - - MG(0:0/22:6/0:0) - 46896303 - C01885 D-Kynurenine - 846 HMDB0250769 C01718 Zanubrutinib - 135565884 HMDB0304875 - Carbazole - 6854 HMDB0249614 C08060 levalbuterol tartrate - 10349032 - - Hexadecylamine - 8926 HMDB0243891 - 4-Chloro-L-phenylalanine - 736190 HMDB0244605 - Gly-Val-Arg - 101736690 - - Tanikolide - 5276592 - - His-Ile-Lys-Arg - - - - Arg-Gln-Lys - 10455368 - - [2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate - 11988421 HMDB0010386 C00157 Lys-Glu-Asp - 87571363 - - Lys-Arg-Gln - 145456577 - - DMABA-d10 NHS ester - 131866485 - - His-Phe-Met - 145455937 - - Gly-Lys-Thr-Ser-Glu - - - - Tris(2-chloroethyl) phosphate - 8295 HMDB0259276 C14445 Glu-Phe-Leu-Val-Met - - - - Glu-Pro-Arg - 145455472 - - Pro-Asn-Val - 145457410 - - Arg-Ile-Val - 145453862 - - Arg-Thr-Ile - 145453953 - - Gln-Ala-Tyr - 145454959 - - Trp-Glu-Glu - 11317175 - - Arg-Val-Thr - 145453995 - - Leu-Ser-Asn - 145456511 - - Tyr-Ile-Lys-Lys - - - - D17-6Kpgf1A - 53470601 - - (S,Z)-N-(2-Oxotetrahydrofuran-3-yl)tetradec-9-enamide - 35028743 - - Arg-Gly-Thr - 25004890 - - His-Ile-His - 145455874 - - Tris(2-butoxyethyl) phosphate - 6540 HMDB0259275 C14446 Arg-Val-His - 145453989 - - N-tetradecylcyclohexanecarboxamide - 53394586 - - Met-Phe-His - 145457033 - - His-Ala-Val-Asp - - - - His-His-Lys - 71737528 - - Trp-Glu-Thr - 145458363 - - Thr-Trp-Met - 145458226 - - His-Ala-Ser-Leu-Asp - - - - Pro-Gln-Ala - 145457441 - - Cinnabarinic acid - 114918 HMDB0004078 C05640 Cetaben - 47263 HMDB0249828 - His-Arg-Val - 145455759 - - His-Asn-Ile - 145455768 - - 9alpha,15S-Dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid - 71684421 HMDB0004242 - Pro-Gln-Gln - 10133794 - - Clorgiline - 4380 HMDB0250365 C11685 LPE(14:0/0:0) - 9547070 HMDB0011500 C00350 Ala-Arg-His - 145453509 - - Pro-Glu-Thr - 7048511 - - Pro-Tyr-Gln - 145457621 - - Gln-Asn-His - 145454986 - - Lys-Asn-Cys - 44467364 - - Pro-Glu-Glu - 145457460 - - Gly-Arg-Ala - 145455566 - - Glu-Ile-Asp-Thr-Lys - - - - Glu-Arg-Ile-Ala-Ser - - - - Tyr-Val-Arg - 145458803 - - Asn-Thr-Thr - 145454272 - - JWH 073 4-hydroxyindole metabolite - 53394452 - - N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)quinoxaline-2-carboxamide - 24180125 HMDB0247660 - Ala-Glu-Gln - 25033304 - - Thr-Ser-Arg - 145458186 - - Asp-Arg-Tyr - 91975563 - - His-Leu-His - 102094816 - - His-Lys-Gln-Lys - - - - Val-Pro-Asn - 145459020 - - Tyr-Ser-Val-Glu - - - - 10-nitro-9E-octadecenoic acid - 24836820 HMDB0062737 - Tyr-Ser-Phe-Val-Phe - - - - Thr-Ser-Leu - 145458193 - - Pro-Ala-Gly - 71401898 - - Gly-Leu-Arg-Val-Phe - - - - Thr-Asn-Tyr - 145457982 - - Trp-Pro-Met - 145458475 - - N-[1-[4-(5-Chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide - 76453682 - - Tenovin-6 - 24772043 - - Ser-Val-Leu - 145457935 - - JWH 018 2-hydroxyindole metabolite-d9 - 53394759 - - Arg-Thr-Ser - 124420574 - - Arg-Arg-Lys - 52940699 - - Hydroxyflutamide - 91649 HMDB0060949 C14204 Glu-Glu-Leu-Ile-Thr - - - - Met-Val-Ser - 145457119 - - Pro-Gln-Glu - 145457445 - - Asp-Lys-Tyr - 145454501 - - Asn-Asn-Gln - 145454032 - - Isoleucylthreonine - 18218220 HMDB0028917 - 1-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine - 42607464 - C00350 cis-7-Hexadecenoic Acid methyl ester - 14029831 HMDB0061858 - Pro-Thr-Val - 145457601 - - Tyr-Gly-His - 145458647 - - 9-OxoODE - 9839084 HMDB0004669 C14766 Gly-Val-Val-Glu-Ile - - - - Met-Leu-His - 145456986 - - Lys-Gln-Phe - 145456642 - - His-Met-His - 145455916 - - Asn-Tyr-Glu - 145454299 - - N-linoleoylglycine - 6433346 - - His-Leu-Ser-Lys - - - - Pro-Pro-Gln - 124420552 - - Gln-Asp-Val - 145455017 - - Tyr-Asn-Glu - 145458574 - - 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine - 10917802 HMDB0010407 C00157 methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate - 6376209 - C18772 Gly-Val-Leu - 9857120 - - 1-O-Hexadecyl-2-deoxy-2-thio-S-acetyl-sn-glyceryl-3-phosphorylcholine - 10347222 - - 2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone - 44397540 HMDB0247531 - Ecklonialactone A - 23428255 - - 2alpha,3beta,12alpha,21,24(R),25-Hexahydroxylanost-8-ene - 14506473 HMDB0035853 - Gln-Gly-Tyr - 145455076 - - RCS-4 N-(4-hydroxypentyl) metabolite - 89973121 - - Asn-Thr-His - 145454264 - - Arg-Lys-Phe - 52941852 - - Ser-Cys-Arg - 145457702 - - Ala-Thr-Met - 145453680 - - {4-Amino-1-[(4-chlorophenyl)methyl]-2-methyl-5-phenyl-1H-pyrrol-3-yl}(phenyl)methanone - 25195055 - - Glu-Gly-Thr - 145455383 - - Ser-Lys-Gln - 145457808 - - Gln-Pro-Thr - 145455192 - - JWH 018 4-hydroxyindole metabolite-d9 - 53394760 - - His-Phe-Tyr-Asp - - - - Gly-Leu-Arg-Asn-Gln - - - - Asn-Thr-Gln - 145454262 - - Asn-His-Tyr - 145454144 - - Val-Val-Leu - 44230570 - - Pro-Met-His - 145457537 - - 9-Oxooctadeca-10,12,15-trienoic acid - 3017510 - - Phe-His-Phe - 71423275 - - 2-Ethoxycarbonyl-2-hydroxy-5,7-dimethoxyisoflavanone - 4217462 - - Asn-Lys-Asp - 145454181 - - (1S,2R,4aR,6aS,6bR,12aS,12bR,14bR)-1,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,14b-hexadecahydropicen-13(2H)-one - 91736804 - - Arachidonoyl m-Nitroaniline - 35026079 - - Ala-Pro-Trp - 101118241 - - His-Leu-Ile-Arg - - - - Glu-Glu-Phe-Leu-Val - - - - Antanapeptin C - 15546252 - - N-(Cyclopropylmethyl)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpent-1-EN-1-YL)cyclopentyl]hept-5-enamide - 53393950 - - Arg-Thr-Ala - 145453946 - - Tyr-Thr-Arg-Arg - - - - Caylin-2 - 60148571 - - Leukotriene D4 methyl ester - 71684544 - - Arg-Cys-Gln - 145453775 - - His-Lys-His - 14208660 - - Bumetrizole - 62531 - - Trp-Pro-His - 102474789 - - Tyr-Phe-Asn - 145458731 - - Isoleucylisoleucine - 13879965 HMDB0028910 - Methiothepin - 4106 HMDB0254534 - Glu-Ala-Phe-Arg-Val - - - - Met-Lys-Ser - 145457005 - - Gly-Leu-Asp-Val-Trp - - - - Arg-Ile-Ile - 145453853 - - Vernolic acid - 5356421 HMDB0004702 C14826 Tyr-Leu-Gly-Lys-Arg - - - - Glu-Glu-Tyr - 9549242 - - Arg-Trp-His - 145453965 - - Pipericine - 9974234 - - Lys-Phe-Gln - 145456745 - - Gln-Pro-Val - 145455195 - - Gly-Tyr-Tyr-Ser-Lys - - - - Gly-Arg-Ser - 145455574 - - Pro-Pro-Thr - 145457564 - - Thr-Pro-Arg - 102505989 - - Pro-Trp-Ala - 145457602 - - Ser-Tyr-Asn - 77844374 - - His-Ala-Tyr-Tyr-Leu - - - - Rumensin - 4243 HMDB0242687 - Fenazaquin - 86356 HMDB0252192 C18727 Arg-Pro-Asn - 145453917 - - Tyr-Asp-Asn - 10295007 - - Lys-Glu-Phe - 145456652 - - Phe-Asn-Leu - 145457150 - - Ile-Val-Ile - 53765802 - - Splitomicin - 5269 - - (Z)-7-[(2R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid - 71684381 - - Trp-Cys-Gln - 71472636 - - Leu-Val-Asp - 71464639 - - Tyrosyl-Methionine - 46937960 HMDB0029111 - Gln-Glu-Gln - 145455052 - - Asp-Thr-Ile - 145454565 - - 5-(N,N-Hexamethylene)amiloride - 1794 HMDB0246736 - Arg-Val-Phe - 71418721 - - Lys-Lys-Val - 23653187 - - Pro-Phe-Lys - 7408741 - - Cys-Asn-His - 145454661 - - Podocarpa-8,11,13-trien-16-oic acid, 12-hydroxy- - 220357 - - Val-Leu-Thr - 145458971 - - Thr-Pro-His - 145458182 - - Thr-Asp-Trp - 145457999 - - His-Ile-Asn - 145455868 - - alpha-Hydroxymetoprolol - 114962 HMDB0060994 - 17-phenyl trinor Prostaglandin E2 ethyl amide - 52224406 - - Oleragenoside - 133562225 HMDB0036943 - Lys-Lys-Gly - 129729951 - - 5(6)-EpETrE-EA - 16061181 - - Trp-Phe-Phe - 145458463 - - Histidinol - 776 HMDB0253185 - Tyr-His-Arg-Arg - - - - Cosmosiin hexaacetate - 6710773 - - 17-Octadecynoic acid - 1449 HMDB0244776 - Malyngamide J - 21774834 - - Gln-Val-Ile-Asp - - - - His-Arg-Lys-Glu - - - - 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol - 4412255 HMDB0247502 - Ala-Ile-Asp - 145453602 - - Ala-Ser-Arg - 25217975 - - Irigenin, dibenzyl ether - 6710674 - - Trp-Ala-Arg - 10151236 - - Cys-Arg-Leu - 145454645 - - His-Leu-Tyr-Lys - - - - Glu-Pro-Thr - 145455482 - - CP 47,497-C8-homolog C-8-hydroxy metabolite - 95566196 - - Lys-Lys-Ser - 145456721 - - Penicillic acid - 7025 HMDB0256217 C00350 Pro-Arg-Gly - 9862240 - - Glu-Lys-Tyr-Leu-Gly - - - - Gly-Glu-Lys - 9967387 - - Arg-Tyr-Arg - 10185047 - - His-Cys-Tyr - 145455809 - - Tyr-Pro-Thr-Val-Asn - - - - Trp-His-Ile - 145458386 - - Glu-Lys-Tyr-Ser-Asn - - - - Asn-Lys-Phe - 145454191 - - Val-Tyr-Tyr - 145459081 - - Gln-Gln-Gly - 145455036 - - (-)-Bornyl acetate - 93009 HMDB0303194 - 8-iso-16-cyclohexyl-tetranor Prostaglandin E2 - 91886116 - - Arg-Gln-Arg - 10226357 - - Phe-Asn-Asp - 145457144 - - Glu-Tyr-Lys - 145455544 - - Oleoyl Ethanolamide-d4 - 312636340 - - 7-[(3R)-3-[(3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid - 57370002 - - Trp-Ala-Leu - 145458264 - - Aminorex - 16630 HMDB0248332 - Spermidic acid - 2572 HMDB0002201 - His-Gln-Arg - 25124604 - - Asn-Arg-His - 145454019 - - (2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol - 25107527 HMDB0031043 - Pyrazin-2-carboxylic acid - 1047 HMDB0059734 C19915 Gln-Lys-Leu-Glu - - - - Pro-Gln-Ser - 145457452 - - Thr-Ile - 57281443 - - Ser-Asp-Asn - 145457688 - - Gly-Thr-Ile-Thr-Thr - - - - Arg-His-His - 145453835 - - Ile-Val-Glu - 145456329 - - R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one - 124079543 - - Arg-Arg-His - 145453737 - - Phe-Glu-Ile - 23728945 - - Lys-Arg-Phe - 145456584 - - Quinamide isopropylidene - 6708787 - - Mebeverine - 4031 HMDB0254388 - Met-Tyr-Val - 145457106 - - Oleoyltaurine - 6437033 HMDB0242113 - Tyr-Glu-Lys-Thr-Tyr - - - - His-Arg-Tyr-Arg - - - - Bufogenin - 10063 HMDB0029909 C17058 Gln-Glu-Ser-Gln-Asp - - - - Gln-Gln-Trp - 145455045 - - BW-A868C - 122021 HMDB0249489 - Trp-Arg-Phe - 11318143 - - Met-Ser-Tyr - 145457065 - - 5,8,11-Eicosatrienoic acid, 14,15-dihydroxy-, (5Z,8Z,11Z)- - 11782734 HMDB0002265 - Gly-Arg-Tyr - 145455575 - - Val-Tyr-Trp - 145459080 - - Pro-Lys-Met - 145457521 - - Val-Val-Phe - 7014911 - - Octylcreoxyethoxyethyl dimethyl-benzyl ammonium chloide - 91873688 - - Phe-Phe-Lys - 52949427 - - Met-Lys-Lys - 145457002 - - Meptazinol - 41049 HMDB0254458 - His-Asp-Tyr - 145455795 - - Met-Phe - 100048 HMDB0028980 - Met-Pro-Val - 145457052 - - Glu-Thr-Val - 145455520 - - (R)-3-hydroxybutyrylcarnitine - 90659885 HMDB0062735 - Leu-Leu-Cys - 9841219 - - Pro-Tyr-Tyr - 11224480 - - Gln-Ser-Tyr-Phe-Val - - - - 3-Oxooctadecanoic acid - 5283005 HMDB0010736 - Thr-His-Gln - 145458078 - - Gln-His-Thr-Leu-Lys - - - - Lys-Phe-Asn - 145456742 - - Trp-Ser-Asp - 145458482 - - Tyr-Phe-Leu - 102047382 - - Gly-Ile-Thr - 51038412 - - Gly-Asp-Ser - 24997747 - - Gly-Val-Ile-Gly-Ile - - - - Ile-Gly-Ser - 11550843 - - 5-Hydroxyiminoisocaryophyllene - 6287034 - - Ile-Val-Phe - 9864513 - - Glu-Asn-Ile-Ile-Asp - - - - Noroxymorphone - 5497189 HMDB0061073 - Tyr-Phe-Lys-Ile-Asp - - - - Prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-hydroperoxy-, (5Z,9alpha,11alpha,13E,15S)- - 59950868 HMDB0003235 - Cys-Phe-Lys - 145454847 - - His-Phe-Ala - 145455927 - - Thr-Leu-Val - 145458126 - - Phe-Cys-Leu - 145457177 - - Isopropyl dodecylfluorophosphonate - 24762154 HMDB0253378 - 2,3-Dihydroxypropyl 2-[(octadec-9-enoyl)amino]ethyl hydrogen phosphate - 53393982 - - Trp-Gly-Thr - 145458374 - - Asp-Pro-Tyr - 145454543 - - Malyngamide I - 10696213 - - N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide - 25105715 - - Tyr-Tyr-Thr-Glu-Phe - - - - Val-Tyr-Asn - 145459072 - - Thr-Asp-Ala - 145457984 - - Cys-Pro-Lys - 145454862 - - Trp-Thr-Glu - 145458498 - - Glu-Leu-Thr - 145455430 - - Arg-Trp-Tyr - 145453972 - - 15-epi Travoprost - 35023509 - - Tyr-Gly-Val - 102174965 - - (E)-9-Octadecenoic acid methyl ester - 10739892 - - Lys-Gln-His - 42644358 - - Methylone - 45789647 HMDB0254656 C20126 Pro-Thr - 18218237 HMDB0029027 - Trp-Ser-Lys - 145458487 - - Foetidin - 15945065 HMDB0033271 - His-Thr - 10131299 HMDB0028895 - Tyr-Lys-Lys - 145458707 - - NCGC00381206-01_C40H60O10_1-Naphthalenebutanoic acid, decahydro-beta,6-dihydroxy-alpha-(2-hydroxyethylidene)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-, (4E)-4-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]tetrahydro-5-oxo-3-furanyl ester, (alphaE,1R,4aS,5R,6R,8aS)- - 24011589 - - Clebopride - 2780 HMDB0250315 - Phe-Glu-Val-Glu - 25168977 - - 11,11-Dideuterio-N-(2-hydroxyethyl)octadec-9-enamide - 71434281 - - cephalosporin C - 65536 HMDB0060450 C00916 Ile-Ile-Leu - 145456179 - - N-Cyclobutylmethyl-14-hydroxydihydronormorphine - 58320671 HMDB0014982 - Cannabipiperidiethanone - 53494930 - - Trp-Arg-Thr - 145458282 - - His-Asn-Asp - 145455762 - - His-Tyr-Tyr - 145456016 - - Strophanthidin semicarbazide - 16725077 - - 5S-Hydroxy-6R-(S-gamma-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid - 91746133 HMDB0006465 - Leu-Ser - 6992130 HMDB0028938 - Lys-Glu-Tyr - 145456655 - - Gln-Cys-His - 145455020 - - Glu-Val-Ala - 145455552 - - 11-Ketorockogenin acetate - 6708609 - - Asn-Phe-His - 145454224 - - Pro-Trp-Met - 71472563 - - 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine - 9547087 HMDB0010163 C00157 Gln-Leu - 44232492 - - Gabazine - 107896 HMDB0252568 C13796 Tyr-Ala-Gln - 145458547 - - Asp-Thr-Gln - 145454563 - - Asp-Glu-Lys - 14299151 - - Arg-Arg-Phe - 52943436 - - Ala-Ala-Arg - 9861720 - - Pro-Arg-Trp - 145457394 - - Cys-Arg-Ala - 145454635 - - Gly-Asn-Gly-Thr-Ile - - - - Arg-Met-Met - 145453897 - - Glu-Ile-Arg-His-Val - - - - 1-O-Acetyllycorine - 443672 - C12166 Val-Arg-Ile - 145458833 - - His-Phe-Gln - 145455931 - - Gly-Gly-Lys-Pro-Asn - - - - 4-Oxo-2-nonenal - 6445537 HMDB0060285 - Prost-13-en-1-oic acid, 9,11-epidioxy-15-hydroxy-, (9alpha,11alpha,13E,15S)- - 57903349 HMDB0013041 - JWH 081 5-methoxynaphthyl isomer - 91744123 - - Ala-Pro-Lys - 71721600 - - Cer(d18:0/14:0) - 10255824 HMDB0011759 C00195 Asp-Ile-Met - 145454470 - - Diuron - 3120 HMDB0251497 C18428 Ser-Thr-Asn - 145457878 - - Pro-Gln-Thr - 145457453 - - Arg-Leu-Ala - 145453863 - - Arg-Ile-Leu - 145453854 - - PE-NMe(18:1(9Z)/18:1(9Z)) - 9547032 HMDB0010565 C00350 Tyr-Thr-Asn - 145458765 - - JWH 018 7-hydroxyindole metabolite - 53394449 - - Progesterone 3-biotin - 71684699 - - Thr-Leu-Thr - 145458123 - - His-Gln-Lys - 145455821 - - 4-Acetamidobenzoic acid - 19266 HMDB0246328 - JWH 122 8-methylnaphthyl isomer - 91741544 - - Pro-Asp-Tyr - 145457425 - - 4beta-Hydroxycholesterol - 3247060 HMDB0013643 - Pro-Arg-Gln - 145457384 - - Lys-Pro-Cys - 145456755 - - Pro-Gln-Lys - 145457448 - - 12-Hydroxy-4,4-bisnor-4,8,11,13-podocarpatetraen-3-one - 6708578 - - Arg-Leu-Glu - 145453868 - - 1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine - 4878 HMDB0244786 - Ala-Arg-Ala - 102200121 - - Hydroxy Terbinafine - 21917706 HMDB0060890 - Gln-Asp-Cys-Tyr-Ser - - - - Val-Lys-Lys - 53340373 - - Asn-Asn-Ile - 145454035 - - His-Asn-Leu-Glu - - - - Asp-Ala-Lys - 145454340 - - 14,14,15,15-tetradeuterio-N-(2-hydroxyethyl)hexadecanamide - 53393953 - - Val-Arg-Leu - 145458834 - - Gly-Phe-Val - 145455680 - - Gly-Leu-Ser-Pro-Lys - - - - JWH 200 4-hydroxyindole metabolite - 91701364 - - Tyr-Asn-Gln - 145458573 - - Tyr-Ile-Leu - 44294997 - - Bindarit - 71354 HMDB0249216 - Asn-Met-Met - 145454208 - - (2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic Acid - 447181 - - Ala-Arg-Trp - 145453514 - - Ile-Gln-Val - 145456124 - - Gly-Lys-Lys-Gln-Leu - - - - Lys-Val-Tyr - 145456823 - - 6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine - 220400 - - Gln-Val-Thr-Lys - - - - Val-His-Val - 145458944 - - Ala-Arg-Met - 145453511 - - Threoninyl-Isoleucine - 18218246 HMDB0029064 - Met-Tyr-Ser - 10135556 - - Arg-Met-Gly - 145453893 - - Glu-Tyr-Ile - 145455543 - - Tyr-Leu-Gly - 102493101 - - Arg-Pro-Leu - 145453922 - - Phe-Thr-Ile - 145457329 - - 1-(2-Cyclohexylethyl)-3-(2-methoxyphenylacetyl)indole - 53394099 - - His-Asn-Leu - 145455769 - - Val-Arg-Val - 145458841 - - 7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine - 46901937 - - Val-Lys-Val - 100934420 - - Glu-Met-Tyr - 145455457 - - Cyanolide A - 46186625 - - Glu-Pro-Pro-Arg-Asp - - - - Phe-Trp-Tyr - 44611954 - - Gly-Val-Ala-Asp-Val - - - - Apinaca - 57404063 - - Tyr-Pro-Gly - 145458746 - - Arg-Val-Ser - 145453994 - - Lys-Lys-Arg - 71355525 - - Phe-Asp-Asp - 17747541 - - Met-Lys-Phe - 145457003 - - His-Lys-Ile-Asp - - - - Pro-Ser-Ser - 24997971 - - Psoromic acid - 23725 - - Thr-Leu-Lys - 145458118 - - Val-Glu-Ala - 9922956 - - Tyr-Thr-Lys - 7408621 - - Ala-Lys-Gln - 145453624 - - Gly-His-Asp - 145455627 - - Arg-Asn-Asn - 25192549 - - 2-Methyl-5,7,8-trimethoxyisoflavone - 6728948 - - D-erythro-Sphingosine C-20 - 71684564 - - Tyr-Pro-Tyr - 446125 - - Val-Pro-Ala - 15515688 - - Tyr-Gly-Glu - 145458646 - - 1-[2-(4-Chlorophenyl)ethenyl]-3,5-dimethoxybenzene - 53394493 - - NCGC00380642-01_C26H34O7_1,1,5a,7a,9,11b-Hexamethyl-7-methylene-3,8,11-trioxo-3,5a,5b,6,7,7a,8,9,11,11a,11b,12,13,13a-tetradecahydro-1H-isochromeno[7,8-g][2]benzoxepin-12-yl acetate - 57509541 - - Azobenzene - 2272 HMDB0248813 - Etilamfetamine - 9982 HMDB0252099 - Tyr-Glu-Lys - 11575767 - - RCS-4-C4 homolog - 57507905 - - Thr-Lys-Ala - 145458127 - - Thr-Glu-Thr - 145458055 - - Lys-Cys-Met - 71472425 - - Gln-Phe-Lys - 145455178 - - Leu-Cys-Arg - 101562487 - - 4-Quinolone-3-Carboxamide CB2 Ligand - 53387189 - - Nialamide - 4472 HMDB0255576 - Trp-Phe - 4427709 HMDB0029090 - Ser-Ala-Lys - 145457656 - - Glu-Ser-Leu-Met-Lys - - - - His-Pro-Asn - 145455944 - - Thr-Gly-Lys - 145458067 - - Arg-Gly-Leu - 101771486 - - Gly-Met-Met - 13037668 - - Biuret - 7913 HMDB0249282 C06555 carmabin A - 16757536 - - Ala-Trp-Ala - 7019979 - - Leu-Val-Val - 145456563 - - 5-CHOLESTAN-3-OL-6-ONE - 16219541 - - Fenproporex - 61810 HMDB0252218 - Gly-Ala-Asn-Val-Arg - - - - His-Glu-Glu - 102228787 - - PE-NMe2(18:1(9Z)/18:1(9Z)) - 9547022 HMDB0010564 - 1-Aminocyclohexanecarboxylic acid - 1366 HMDB0243822 - Formetanate - 31099 HMDB0252444 - Pentylbenzene - 10864 HMDB0059834 - Curacin D - 10546404 - - Pro-Leu-Thr - 145457512 - - N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide - 6610217 - - Gly-Thr-Lys - 25184938 - - Trp-Pro-Lys - 71471842 - - Bupirimate - 38884 HMDB0249442 C18776 1-Benzylpiperazine - 75994 HMDB0243838 - Glu-Ser-Gln-Arg-Gln - - - - Val-Ala-Glu - 145458819 - - Trp-Leu-Arg - 10162440 - - Met-Ser-Lys - 145457060 - - Gln-Cys-Gln - 10237314 - - Fenethylline - 19527 HMDB0252198 - Ile-Phe-Thr - 145456243 - - Asn-Cys-Met - 145454072 - - Tyr-Ser-Lys-Glu-Ala - - - - Thr-Ile-Lys - 132495624 - - Glu-Arg-Glu - 145455300 - - Lys-Tyr-Tyr - 145456812 - - 2-Methoxycinnamic acid - 734154 HMDB0302514 - 4'-Methyl-alpha-pyrrolidinopropiophenone hydrochloride - 71750585 - - Leu-Thr - 10353878 HMDB0028939 - Gly-Tyr-His - 145455719 - - Myristoylcarnitine - 6426854 HMDB0254979 - Met-His-Lys - 145456954 - - Val-Ile-Thr - 145458958 - - Lys-Val-Lys - 448140 - - Trp-Trp-Glu - 145458511 - - 3-Amino-2,3-dihydrobenzoic acid - 3445 HMDB0251519 C12110 Ala-Ile-Phe - 25027315 - - Tyr-Glu-Asp - 44412303 - - Met-Phe-Met - 54536440 - - Alkynyl 4-hydroxy-2-nonenal - 71684698 - - His-Asn-Cys - 145455763 - - Tyr-Lys-Arg-Glu - - - - Pro-Leu-Val - 101346022 - - Ser-Ile-Glu - 145457778 - - 2-Palmitoyl-rac-glycerol - - HMDB0011533 C00641 CerP(d18:1/12:0) - 5283580 HMDB0010699 - Asn-Gln-His - 145454083 - - His-Thr-Ala - 145455967 - - Trp-Pro-Asp - 145458470 - - Methaqualone - 6292 HMDB0240285 C07560 Ile-Pro-Lys - 53491908 - - Cys-His - 11608582 HMDB0028777 - Ser-Leu-Asp - 145457793 - - Ile-Phe-Ala - 145456231 - - 1-beta-D-Galactosylsphingosine - 91746255 HMDB0000648 - Ser-Phe-Met - 145457848 - - Ile-Glu-Ala - 145456125 - - Lys-Gly-Leu - 87275315 - - Gln-Glu-Phe - 145455059 - - 8,11,14-Eicosatrien-5-ynoic acid - 1777 - - Ala-Thr-Lys - 57389262 - - Gly-Phe-Leu-Leu-Val - - - - Ile-Arg-Lys - 145456053 - - 5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol - 4185 HMDB0242626 - Ala-His-Thr - 145453597 - - Clobenpropit - 2790 HMDB0250329 C17934 N-Acetyl-DL-tryptophan - 2002 HMDB0255052 - 2,4,6,8,10,12-Docosahexaenoic acid, ethyl ester - 150680 HMDB0251557 - Glu-Ile-Ala - 145455402 - - Asp-Val-Ala - 57339430 - - Gly-Phe-Asn-Thr-Phe - - - - Glu-Trp-Leu - 14462468 - - 5,8-Dihydroxy-1,4-naphthoquinone - 10141 HMDB0255448 - Tyr-Ala-Ser - 9967723 - - Met-Met-Phe - 145457020 - - Tribenzylamine N-oxide - 3624962 - - Valeryl-4-hydroxyvalsartan - 9911647 HMDB0013848 - 4-Tetradecanamidobenzylphosphonic acid - 44176227 HMDB0246585 - N-(2-Hydroxyethyl)hexadec-9-enamide - 54428293 HMDB0013648 - Methoxyphedrine - 216281 HMDB0243795 - 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine - 9546757 HMDB0009059 C00350 Thr-Pro-Ile - 9902015 - - Thr-Ile-Arg - 145458092 - - Met-Leu-Asn - 71376811 - - Syringaldehyde - 8655 HMDB0258653 - Tyr-Ser-Cys - 145458754 - - Decoquinate - 29112 HMDB0250922 - Pro-Asn-Arg - 145457397 - - Tyr-Arg-Ile-Glu - - - - Ile-Glu-Ile - 145456134 - - Gly-Cys-His - 100916748 - - Pro-Pro-Leu - 11858292 - - Lys-Ser-Gly - 145456766 - - 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one - 4475102 HMDB0253708 - Asp-Thr-Ala - 145454559 - - Lys-Pro-Gly - 129636029 - - Pro-Lys-Lys - 13653497 - - Montelukast sulfoxide - 15297728 - - Gly-Lys-Ala - 145455651 - - Flunisolide - 82153 HMDB0014326 C07005 Lys-Ala-Glu - 145456568 - - Arg-Ile-Glu - 145453850 - - Normirtazapine - 10467350 HMDB0060956 - Glu-Tyr-Leu - 67309072 - - Leu-Ile-Ser - 139595291 - - Thiorphan - 3132 HMDB0242473 C01619 Ala-Phe-Met - 53491909 - - Lys-Cys-Gln - 145456625 - - Dicyclohexylamine - 7582 HMDB0251214 C14686 His-Ala-Lys-Lys - - - - Lys-Arg-Asp - 145456575 - - Ser-Ile-Leu - 44230708 - - Tyr-Cys-Trp - 145458611 - - Lenacil - 16559 - - Phe-Val-Trp - 54460222 - - His-His-Ser-Lys-His - - - - beta-Sitostenone - 60123241 HMDB0033934 - Tyr-Ser-Glu - 145458756 - - Met-Ala-Gly - 13876389 - - 13,14-dihydro-15-keto Prostaglandin D2-d4 - 16061110 - - Leu-Phe-Phe - 145456498 - - Asn-His-Gln - 145454131 - - Asn-Lys-Val - 145454196 - - (3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione - 13889982 HMDB0038156 - Trp-Val-Arg - 11963125 - - Vitamin E - 14985 HMDB0001893 C02477 Ala-Asn-Gly - 100953037 - - Val-Cys-Asp - 145458878 - - (1S,2R,4aR,6aR,6bS,12aS,14bR)-1,2,4a,6a,6b,9,12a-Heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,14b-hexadecahydropicene - 91744586 - - (1R,3S,6S,7E,13S,16R,17R,21S,22S)-17-[(2R,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid - 102571688 - - Thr-Ser-Thr - 145458198 - - 13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 - 71684711 - - Ser-Val-Ser - 145457940 - - Pro-Pro-Ser - 25059235 - - Glu-Ser-Leu-Glu-Lys - - - - Ala-Ile-Ile - 60210971 - - Lys-Lys-Ala - 52949202 - - Val-Lys-Asn - 145458975 - - Ile-Ile-Met - 145456181 - - N-Desmethylolanzapine - 135446209 HMDB0060959 - Phe-Phe-Leu - 23653123 - - 5-fluoroindole-2-carboxylic acid - 1820 HMDB0303392 - 2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside - 46705486 HMDB0040814 - Dactolisib - 11977753 HMDB0247649 - Gly-Ile-Lys - 145455642 - - Methylgingerol - 71391212 HMDB0029852 - Ala-Pro-Gly - 11902903 - - Phe-Pro-Asn - 145457296 - - His-Gln-Tyr - 145455828 - - 3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol - 9909519 - - 4S,5R-antillatoxin A - 10029084 - - Gln-Val-Leu-Arg - - - - Norverapamil - 104972 HMDB0060540 - Cys-Ile-Gly - 145454778 - - Ala-Gln-Asp - 87815450 - - Arg-Phe-Phe - 11374777 - - Thr-Thr-Asn - 9880770 - - 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, diethyl ester - 12446 HMDB0247156 - 1-[3-(Trifluoromethyl)phenyl]piperazine - 4296 HMDB0244703 - His-Ile-Ile - 145455875 - - Asp-Ile-Ser - 145454473 - - Ala-Phe-Gln - 145453650 - - Ile-Leu-Gly - 145456190 - - Pro-Gln-Cys - 145457444 - - Thr-Pro-Gly - 11990215 - - Arg-Asp-Asn - 145453759 - - Pro-Cys-Ser - 145457437 - - Met-Glu-Trp - 145456934 - - DMABA-d6 NHS ester - 131866484 - - Docosa-7,10,13,16,19-pentaen-4-ynoic acid - 57370067 - - Glu-Asp-Gln-Asp - - - - Gln-Val-Gly - 124155756 - - Pro-Tyr-Thr - 145457632 - - Pro-Arg-Met - 145457389 - - Met-Glu-Met - 145456930 - - Arg-Ile-Arg - 10203840 - - His-Glu-Gln-Lys - - - - Gln-Val-Asp - 145455269 - - Asp-Glu-Tyr - 145454432 - - Ile-Val-Lys - 145456331 - - Lys-Thr-His - 11485927 - - (E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid - 6435402 - - N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide - 4336830 HMDB0257530 - PDMP hydrochloride - 16760605 - - Phe-Leu-Leu - 44398636 - - 3-Amino-1-hydroxy-5,7-dimethyl-adamantane - 3382167 HMDB0060738 - Tyr-Ser-Glu-Lys - - - - Arg-Leu-Gln - 145453867 - - Oxydisulfoton - 17242 - C19009 Pro-Met-Phe - 145457542 - - Tetrahydroharman-3-carboxylic acid - 4264556 HMDB0037942 - Ala-Asn-Asn - 145453518 - - Glu-Tyr-Leu-Arg - - - - Arg-Phe-Lys - 10138742 - - Thr-Phe-Cys - 145458166 - - Tyr-Thr-Trp - 145458778 - - Fendiline - 3336 HMDB0252196 - 2-[[(2S,3S)-2-[acetyl(methyl)amino]-3-methylpentanoyl]amino]-N-[(2S,3R)-3-hydroxy-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylpentanamide - 88284584 - - Oxyphenonium - 5749 HMDB0014364 - Val-Ile-Trp - 145458959 - - Tyr-Val-Tyr - 145458814 - - Mangiferin - 5281647 HMDB0302730 C10077 Gln-His-Phe-Arg - - - - 2-Arachidonoyl glycerol-d5 - 52922087 - C01885 Propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-4-phenoxybut-1-en-1-yl)cyclopentyl]hept-5-enoate - 53393961 - - Leu-Val-Gly - 71464648 - - N-[5-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanamide - 71684697 - - PU-H71 hydrate - 57347700 - - Met-Cys-Leu - 145456897 - - Thr-Thr-Asp - 71728364 - - Cys-Pro-Glu - 145454859 - - Pro-Cys-Glu - 145457430 - - Lys-Ile-Lys - 444446 - - Lys-Met-His - 145456731 - - 5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one - 104607 HMDB0061025 - Ala-Val-Val - 145453725 - - 5-Hydroxydopamine - 114772 HMDB0004817 - Grayanotoxin I - 9548612 - - alpha-Phellandrene dimer - 6431154 - - His-Thr-Lys-Lys - - - - Ile-Val-Val - 145456336 - - 1-Hexadecyl-sn-glycerol 3-phosphate - 11825433 HMDB0062325 C00681 methyl (1S,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate - 15558680 HMDB0015043 - Asn-Leu-His - 145454170 - - 2-Aminopropiophenone - 107786 HMDB0245024 - NCGC00384512-01_C20H24N2O2_6'-Methoxycinchonan-9-ol - 23616571 HMDB0014611 - Lys-Ile-Ser - 51002408 - - Met-Ser-Gly - 7020120 - - Leu-Cys-Ala - 145456376 - - Val-Pro-Val - 10358218 - - 7-[(2R)-3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]-3-methoxyheptanoic acid - 57370058 - - Asp-Asp-Tyr - 145454385 - - 4-(Isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide - 107858 HMDB0061024 - Gln-Val-Ala - 145455267 - - Gln-Leu-Ala-Pro-Ala - - - - Thr-Ser-Gly - 145458191 - - N-tridecanoyl-L-Homserine lactone - 68869017 - - Gln-Ala-Gly - 25264078 - - Leu-Pro-Asn - 145456501 - - Gln-Ala-Lys - 145454954 - - Buprofezin - 50367 HMDB0249444 - Cys-Trp-Ala - 145454901 - - Methyl 4,7-anhydro-2,3-dideoxy-7-phenylheptonate - 53393984 - - Ser-Ser-Thr - 145457873 - - Cys-Pro-His - 145454861 - - Garcinolic acid - 6857794 - - Val-Leu-Asp - 145458963 - - Met-Thr-Met - 10177889 - - Irigenin, 7-benzyl ether - 6063287 - - N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine - 440331 - C04418 Ala-Pro-Met - 57148303 - - His-Gln-Ala-Arg - - - - Gln-Lys-Lys-Leu-Ala - - - - Linsitinib - 11640390 HMDB0254107 - Trp-Ile-Lys - 145458404 - - 3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid - 24905345 - - N-Oleoyl-L-Serine - 44190514 HMDB0242185 - Ala-Val-Ser - 145453721 - - 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine - 9546799 HMDB0008946 C00350 Deoxyschizandrin - 43595 HMDB0251013 C16951 Pro-Lys-Arg - 13653499 - - 2,5,8,11-Tetraoxatridecan-13-ol - 90263 HMDB0062236 - Ala-Tyr-Ser - 56646020 - - Ile-Leu-Val - 53776302 - - Tyr-Val-Lys-Ala-Leu - - - - Gln-Arg-Tyr - 145454976 - - Arg-Leu-Met - 145453871 - - His-Glu-Phe-Gly-Asp - - - - Cys-Leu-Trp - 145454806 - - Leu-Cys-Ser - 145456389 - - MG(0:0/18:2(9Z,12Z)/0:0) - 5365676 HMDB0011538 C01885 Lys-Leu-Val - 145456711 - - Ala-Ser-Lys - 11162509 - - Ser-Leu-Val - 101769071 - - Asn-Arg-Ala - 145454012 - - 6-Aminopenicillanic acid - 11082 HMDB0060618 C02954 1,2-di-(5Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine - 42607454 - C00350 (2R)-2-azaniumyl-3-(methylsulfanyl)propanoate - 7058174 HMDB0002108 - Lys-His-Tyr - 145456680 - - Val-Ala-Val - 145458825 - - (+)-Blebbistatin - 6604910 - - Etidocaine - 37497 HMDB0252097 C07530 DMABA-d4 NHS Ester - 121225391 - - Ile-Met-Gln - 145456218 - - benfluralin - 2319 HMDB0248950 - 2-Hydroxyimipramine - 108051 HMDB0060952 - Ile-Gly-Leu - 145456149 - - Trandolaprilat - 5464097 HMDB0060583 - Arg-Phe-Gln - 145453906 - - Arg-Val-Arg - 10181049 - - Lys-Leu-Gln - 145456701 - - Isobergapten - 68082 HMDB0302838 C18082 Lys-Trp-Phe - 10116644 - - His-Asp-Glu - 145455783 - - Val-Leu-Arg - 145458961 - - 2-Monoolein - 5319879 HMDB0011537 C01885 Repaglinide aromatic amine - 57826284 HMDB0061005 - Asp-Cys-His - 145454391 - - Ala-Asp-Phe - 10286828 - - Dolastatin 12 - 21603517 - - Dioctyl phthalate - 8346 HMDB0251427 C14227 7-[(1R,2R,3S,5S)-2-[(4S)-4-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybut-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid - 57370124 - - Glu-Met-Gln - 145455447 - - myo-Inositol 1,2-bisphosphate - 10991423 - - Indoramin - 33625 HMDB0253479 - Stylopine - 6770 HMDB0258897 - Arg-Pro-Arg - 488930 - - Gly-Pro-Trp - 145455682 - - Arg-Gln-Tyr - 145453802 - - Phe-Phe-Glu - 101086355 - - Tyr-Val-Arg-Lys - - - - Ile-Ala-Lys - 10042290 - - Ala-His-Ile - 145453593 - - Tyr-His-His - 145458663 - - Benzomate - 6035168 - - scytophycin C - 10328022 - - His-Asn-Gly - 145455766 - - Pro-Ser-His - 145457572 - - Lys-Ala-Lys - 446461 - - Arg-Glu-Gln - 145453807 - - His-Gly-Tyr-Val-Glu - - - - Gly-Tyr-Asn-Ser-Tyr - - - - Lys-Met-Met - 145456734 - - Glu-Leu-Ala-Met-Met - - - - Talwin - 4736 HMDB0243543 - His-Gln-Thr-Glu - - - - Lys-His-Ala - 145456665 - - Pro-Met-Asn - 145457531 - - 3-Palmitoyl-sn-glycerol - 14900 HMDB0245964 C01885 N-(4-methyl-2-oxochromen-7-yl)icosa-5,8,11,14-tetraenamide - 53394477 - - Desfesoterodine - 9819382 HMDB0013973 - Methyl 2,5-dihydroxycinnamate - 5353609 HMDB0061686 - PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) - 52924890 HMDB0009161 C00350 Arachidonoyl Glycine-d8 - 71684551 - - Ala-Arg-Phe - 54531465 - - Norfentanyl - 259381 HMDB0061006 - Halopemide - 65490 HMDB0253042 - Glycerol Tributyrate - 6050 HMDB0031094 C13870 Pro-Gly-Val - 145457477 - - (2S)-2-amino-5-(1-aminobutylideneamino)pentanoic acid - 5289555 - - Hoiamide C - 46919101 - - Prostaglandin A2-biotin - 91746119 - - (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid - 6482234 - - ThioFluor 623 - 88590000 - - Cys-Thr-Ser - 145454897 - - 2-[2-[(5R,6R,7S,9S,11R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid - 23843943 HMDB0040967 - palmyramide A - 45380200 - - Ser-Pro-Asn - 145457855 - - Dibutyl adipate - 7784 HMDB0251172 C14253 trans-Resveratrol 4'-O-glucuronide - 5273284 HMDB0041783 - Asp-Ser-Gly - 9835311 - - Lys-Gly - 7022320 HMDB0028951 - Antanapeptin B - 15546251 - - Glu-Gln-Gly - 145455359 - - 2,3-Dihydroxypropyl 9,11,15-trihydroxyprosta-5,13-dien-1-oate - 53394066 - - Trp-Glu-Tyr - 145458364 - - Met-Val-Lys - 145457116 - - 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate - 23284 HMDB0059777 - Ala-Lys-Asn - 145453623 - - 2-Phenylethynesulfonamide - 327653 HMDB0256545 - Norclozapine - 135409468 HMDB0060536 - Hexazinone - 39965 HMDB0253153 C10926 Pro-Asn-Met - 10292011 - - Pro-Ile-Gln - 145457491 - - Terbutryn - 13450 - C18811 7-(6-Oct-1-enyl-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl)hept-5-enoic acid - 53394200 - - Asn-Ala-Thr - 145454010 - - Asparagylhistidine - 18218181 - - 1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine - 6443139 HMDB0304650 - Tiopronin - 5483 - C73708 CerP(d18:0/16:0) - 5283582 HMDB0010698 C00195 Met-Ser-Ala - 145457053 - - Glu-Val-Tyr-Asp - - - - p-Hydroxy rosiglitazone - 9864316 HMDB0060981 - Glu-Pro-Leu - 145455477 - - PC(P-18:0/20:4(5Z,8Z,11Z,14Z)) - 24779390 HMDB0011253 C00157 Termitomycamide B - 97183939 - - His-Tyr-Gln - 145456005 - - Thr-Pro-Tyr - 71728353 - - NG-Amino-L-arginine - 91746433 - - Leu-Arg-Ala - 145456342 - - Losartan 3-[(nitrooxy)methyl]benzoate - 10371403 - - 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine - 24778931 HMDB0008097 C00157 Phe-Glu-Trp - 25101749 - - Gly-Leu-Val - 129675550 - - 4,6-Diamino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside - 5224 - - Cyflufenamide - 136257767 - - Amanitin - 2100 HMDB0248187 - Met-Tyr-Arg - 145457092 - - Tyr-Ile-Ile - 145458677 - - 1-Tetracosanoyl-sn-glycero-3-phosphocholine - 24779481 HMDB0010405 C04230 Arg-Lys-His - 145453879 - - Antanapeptin A - 15546250 - - Pro-Ile-Gly - 9943731 - - Gly-His-Thr - 101387130 - - Cys-Ala-Pro-Pro-Thr - - - - Pro-Val-Val - 15199694 - - [(2S,6S,10S,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S,3R)-2,3-dihydroxy-2-methylbutanoate - 118701446 - C10816 Asp-Thr-Asn - 145454560 - - Ser-Lys-Ala - 145457804 - - Glu-Tyr-Asp - 145455538 - - Val-Leu-Asn - 145458962 - - 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine - 24778933 HMDB0008100 C00157 His-Lys-Ser-Glu - - - - Trp-Lys-His - 145458429 - - 5,7-Dichlorokynurenic acid - 1779 HMDB0246868 - Arg-Arg-Val - 145453741 - - Nostoxanthin - 16061239 - C16284 Ergosta-5,22-dien-3-ol, (3beta,22E)- - 6432458 - - 1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine - 24779063 HMDB0008308 C00157 2-[(2-Amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoic acid - 18218239 HMDB0029036 - 7-Ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin - 11756356 HMDB0060499 C16543 1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine - 24779527 HMDB0013122 C00157 Dipalmitoyl phosphatidylinositol - 24779556 HMDB0009778 - Lys-Lys-Leu - 145456717 - - Lys-Tyr-Met - 145456810 - - [3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate - 1139 - - Etilefrine - 3306 HMDB0252100 - 10-Nitrooleate - 53394576 HMDB0247556 - Tacedinaline - 2746 HMDB0244393 - Tyr-Lys-Glu-Arg - - - - Leu-Pro-Phe - 25183214 - - Val-Arg-Ala - 145458826 - - 2-Hydroxysaclofen - 1564 HMDB0245169 - Glu-Gln-Lys-Asp-Arg - - - - Lys-Gly-Tyr - 145456663 - - Deoxygedunol acetate - 6708590 - - Trp-Pro-Glu - 101118236 - - Leu-Ser-Thr - 145456519 - - Arg-Asp-Arg - 10252938 - - Buprenorphine Glucuronide - 131769995 HMDB0060928 - Farnesyl Thiosalicylic Acid Amide - 25187973 - - S-diclofenac - 11948307 HMDB0247974 - Tyr-Met-Leu - 145458723 - - Deoxysappanone B 7,3'-dimethyl ether acetate - 6708755 - - Carboxytolbutamide - 159651 HMDB0041849 - His-Lys-Gln - 145455899 - - 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine - 24778648 HMDB0007900 C00157 Arg-Phe-Tyr - 145453915 - - 5-Fluorouridine - 9427 HMDB0060396 C16633 1-Docosanoyl-sn-glycero-3-phosphocholine - 24779479 HMDB0010398 C04230 Thr-Tyr-Trp - 145458244 - - Ethyl pentadecanoate - 38762 HMDB0059870 - N-Acetylvanilalanine - 12681285 HMDB0011716 - Phenylhydrazine - 7516 HMDB0256439 C02304 EX-527 (Selisistat) - 5113032 HMDB0246699 - 5,8,14-Eicosatrienoic acid, 11,12-dihydroxy-, (5Z,8Z,14Z)- - 11121316 HMDB0002314 - Asn-Tyr-Val - 145454312 - - propan-2-yl (Z)-7-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoate - 91886094 - - 3,3'-Dimethylbenzidine - 8413 HMDB0255871 C14443 S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one - 124079542 - - Meglumine - 8567 HMDB0240291 - N-[(3S)-2-Oxooxolan-3-yl]hexadec-9-enamide - 71362826 - - 13,14-dihydro-15-keto Prostaglandin E1-d4 - 162642474 - - 1-Phenylpiperazine - 7096 HMDB0243993 - Val-Val-Asn - 145459083 - - (3-Phenoxyphenyl)methanol - 26295 HMDB0245967 C19800 6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile - 9956119 HMDB0250080 - Lys-Lys-Ile - 131726876 - - Phe-Phe-Trp - 145457295 - - Tryptoline - 107838 HMDB0012488 - 1,2-Diarachidoyl-sn-glycero-3-phosphocholine - 22880141 HMDB0008274 C00157 DL-alpha-Tocopherol - 2116 HMDB0242201 - Ser-Met - 151087 HMDB0029045 - Ala-Met-Lys - 145453640 - - 1,2-Distearoyl-sn-glycero-3-phosphocholine - 94190 HMDB0008036 C00157 Gly-Ala-Cys-Lys-Val - - - - 3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid - 198292 HMDB0061058 - Lumisterol 3 - 111049 HMDB0006505 - (4aR,6aS,6bR,12aS,12bR,14bS)-2,2,4a,6a,6b,9,12a-Heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,11,12,12a,12b,13,14b-octadecahydropicene - 91735359 - - N-phenethyldodecanamide - 3610098 - - Fenarimol - 43226 HMDB0040599 C11226 3-[4-(Hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methylethanedioatepyridine - 44450595 - - Phe-Ile-Tyr - 46843654 - - Ala-Glu-Cys - 145453573 - - Lys-Phe-Arg - 10161038 - - (1R,2R,4S)-limonene-1,2-diol - 11217495 - C19082 Beta-alanine betaine - 441440 - C08263 5-Aminopentanal - 443849 HMDB0012815 C12455 D-ribofuranose 5-phosphate - 439167 HMDB0000618 C00117 2-Oxosuccinamic acid - 439716 HMDB0060350 C02362 1,1-Dichloroethane - 6365 HMDB0244020 C18247 Quinaldic acid - 7124 HMDB0000842 C06325 2-Hydroxytrichodiene - 122706455 - - Fluorene - 6853 HMDB0252355 C07715 (3Z)-Phycoerythrobilin - 11953875 - C05912 4-(beta-D-glucosyloxy)benzoic acid - 440186 - C03993 1-Behenoyl-glycerol - 53480989 HMDB0011581 C01885 N-Cinnamoyl Serotonin - 9995324 - - 5,5-Dihydroxyleucine - 91820297 - - [(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] 22-methyltetracosanoate - 131822408 HMDB0115752 - (2S)-2-azaniumyl-5-(hydroxyamino)pentanoate - 44237382 - - 1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine - 9546807 HMDB0008889 - L-rhamnofuranose - 11953811 HMDB0304405 C02431 4,4'-Diaponeurosporenic acid - 23724634 - - Pentadecanal - 17697 HMDB0031078 C01948 18-Oxooleate - 56928100 - C19617 15-Hydroxysolavetivone - 25200393 - - oxalosuccinate - 972 HMDB0304444 C05379 Fluoroacetic acid - 5237 HMDB0252369 C06108 6-o-Phosphonohexopyranose - 208 HMDB0246205 C02965 indole-3-acetyl-beta-6-D-glucose - 25203481 HMDB0304391 - 1-Eicosanoyl-rac-glycerol - 53480981 HMDB0011572 C01885 1-docosanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine - 52924721 HMDB0009485 C00350 1-Octadecanoyl-2-pentadecanoyl-glycero-3-phosphate - 52928901 HMDB0114875 - 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid - 443290 - - (3R,5R,8S,9S,10S,14S)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde - 53477896 - - 2-Chlorophenol - 7245 HMDB0245077 C14219 L-3-Aminodihydro-2(3H)-furanone - 73509 HMDB0029387 C02926 1,2-Naphthoquinone - 10667 HMDB0244101 C14783 l-Histidinol phosphate - 439398 HMDB0304403 C01100 L-Ala-Gamma-D-Glu-Meso-Diaminopimelic Acid - 25203562 - C20925 18-Hydroxyoleic acid - 5312773 - C19616 2-succinylbenzoate - 955 HMDB0304087 C02730 (1E,2S)-2-methylbutanal oxime - 12917320 - C19491 1-Pentadecanoyl-glycerol - 46879024 HMDB0011563 C01885 Isopentenyl phosphate - 21896400 - C20345 Neomenthyl acetate - 75699 HMDB0302743 C16825 4,4'-Diapolycopenedial - 11102033 - C19798 D-Glycero-D-manno-heptose 7-phosphate - 441339 - C19882 (3S,10R,13R)-10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol - 44229243 - - Phosphocholine - 1014 HMDB0001565 C00588 3-(3,5-Diiodo-4-hydroxyphenyl)lactate - 440310 HMDB0059636 C04367 (2R,3S,5S,8R,9S,10S,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol - 23724594 HMDB0033984 - ardeemin FQ - 11325800 - - Allysine - 160603 HMDB0001263 C04076 Acetamidopropanal - 5460495 HMDB0012880 C18170 epsilon-Caprolactone - 10401 HMDB0060476 C01880 Oryzalexin C - 176495 HMDB0302101 - 3-Chloroacrolein - 5280971 HMDB0060516 C06613 UNII-6B3F8QW8TU component NOFOAYPPHIUXJR-UXXFXACISA-N - 440910 - C06088 3-Dimethylallyl-4-hydroxymandelic acid - 443851 HMDB0135908 C12457 Tetranactin - 441165 - C06764 2-Methyl-6-geranylgeranyl-1,4-benzoquinol - 14759579 - C20737 4-Guanidinobutyrate - 25200642 - - 2-Phenylethyl D-glucopyranoside - 11044282 - - 1H-Indole, 3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)- - 5374226 - C20525 1-Myristoleoyl-glycerol - 53480975 HMDB0011562 C01885 4-methylsulfanylbutanenitrile oxide - 46173192 - - PE-NMe2(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) - 131821536 HMDB0114429 C00350 2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol - 447920 HMDB0059661 - Neoagarobiose - 54758702 - - [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate - 15151374 - C00157 Aminoparathion - 220 HMDB0001504 C06605 LPA(i-22:0/0:0) - 131821855 HMDB0114769 C00681 5-[(1S)-2,6,6-Trimethyl-4-oxo-1-hydroxy-2-cyclohexenyl]-3-methyl-2,4-pentadien-1-ol - 44584347 - - [(2R)-2-nonadecanoyloxy-3-phosphonooxypropyl] 20-methylhenicosanoate - 131822554 HMDB0115898 - MG(0:0/16:0/0:0) - 123409 HMDB0011533 C01885 7',8'-Dihydro-8'-hydroxyreticulataxanthin - 131752545 HMDB0039090 - 6-methoxy-3-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol - 131831493 HMDB0124919 - (+)-abscisic acid beta-D-glucopyranosyl ester - 46173811 - - 3-Hydroxysintaxanthin - 131751826 HMDB0035641 - [(2R)-2-henicosanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate - 131822586 HMDB0115930 - PA(18:3(9Z,12Z,15Z)/20:1(11Z)) - 52929005 HMDB0115013 - [(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] henicosanoate - 131822307 HMDB0115651 - 9,10-Dihydroxystearic acid - 89377 HMDB0302281 C19622 D-Glucosyldihydrosphingosine - 440147 - C03858 3-Dimethylallyl-4-hydroxyphenylpyruvate - 443850 - C12456 2,4-Dinitroanisole - 8385 HMDB0245458 - (3S)-3-isopropenyl-6-oxoheptanoic acid - 443173 - - 2-Propyn-1-al - 12222 HMDB0006803 C05985 gamma-Glutamyl-alpha-aminobutyrate - 7014903 - C21015 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol - 23724596 HMDB0001181 C15808 (3R,5R,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol - 53477702 HMDB0000520 - (1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-8,9-bis(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5(10),6,8-tetraen-16-ol - 92042752 - C20595 L-Fuculose - 6857362 HMDB0060267 C01721 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione - 68361950 HMDB0033197 - 5-Acetylamino-6-formylamino-3-methyluracil - 108214 HMDB0011105 C16365 Ergosta-8,25(27)-dienol - 102515129 - - PE-NMe(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) - 131820639 HMDB0113527 C00350 2-Ammonio-4-sulfanylbutanoate - 49791978 - - PE-NMe2(14:0/18:4(6Z,9Z,12Z,15Z)) - 131820992 HMDB0113882 C00350 (3S,7R)-11-methoxy-3,7-dimethyl-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione - 90657513 - - Myxochromide S2 - 23724552 - - Indole-3-acetyl-beta-4-D-glucose - 25201534 - - alpha-Tocopherolquinone - 24205 HMDB0034408 - 4-Carboxy-2-oxo-3-hexenedioate - 5280779 - C05364 trans-Hydroxy Perhexiline(Mixture of Diastereomers) - 46781856 HMDB0061155 - [(2R)-2-(18-methylicosanoyloxy)-3-phosphonooxypropyl] henicosanoate - 131822305 HMDB0115649 - Ent-pimara-9(11),15-diene - 14239489 - C19810 PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z)) - 52923473 HMDB0008544 C00157 Glyceryl erucate - 6438186 HMDB0011552 C01885 (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione - 131751817 HMDB0035624 - PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) - 52923359 HMDB0008503 C00157 Precorrin 6B - 5280916 - C06319 m-Xylene - 7929 HMDB0059810 C07208 (2R,3R)-2-Aminooctadecane-1,3-diol - 3126 HMDB0242634 - 4,4'-Diapo-zeta-carotene - 11315692 - C19841 19-(4-Hydroxyphenyl)nonadecanoic acid - 20264499 - C21448 4-Hydroxy-L-glutamic acid - 439902 HMDB0002273 C03079 3-Sulfolactaldehyde - 86289124 - C20798 [5-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid - 131838759 HMDB0135091 - brassicicene C - 90658313 - - Eudesobovatol B - 10346031 - C17677 N-Acetyl-DL-glutamic acid - 185 - - 20-Dihydrodydrogesterone - 131769931 HMDB0060729 - Tuberculosinol - 24883452 - C19963 (1R,-6S)--6-amino-5-oxocyclohexyl-2-ene-1-carboxylic-acid-ester - 49852389 - C19831 Zinc bacteriochlorophyll a - 11953967 - C11851 PE-NMe2(18:2(9Z,12Z)/20:2(11Z,14Z)) - 131821187 HMDB0114079 C00350 4-Amino-2,6-dinitrotoluene - 29574 HMDB0246344 C16394 N-Acetyl-D-mannosamine 6-phosphate - 11426583 HMDB0001121 C04257 Tangeraxanthin - 131752512 HMDB0039015 - 13'-Hydroxy-gamma-tocotrienol - 53481468 HMDB0012562 - 3-Ketosphingosine - 9839212 - C06121 Cyclotricuspidogenin C - 73801615 HMDB0033635 - {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid - 131832336 HMDB0125870 - (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione - 131751873 HMDB0035843 - 7-Oxostigmasterol - 12044013 HMDB0030015 - magnesium;3-[(3R,21S,22S)-11-ethyl-16-(1-hydroxyethyl)-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid - 46174059 - C18154 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol - 247748 - - 5beta-Cholestane-3alpha,7alpha,12alpha,23-tetrol - 5284208 HMDB0001968 - 6-Methoxy-2-octaprenyl-1,4-benzoquinone - 5280835 - C05813 2-Hydroxycanthaxanthin - 91819803 - - 5,8,12-Trihydroxy-9-octadecenoic acid - 5312877 HMDB0030936 - PA(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) - 52928978 HMDB0115522 - 3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one - 131835500 HMDB0129219 - 4-Methyl-5-cholesta-8-en-3-one - 25202835 HMDB0012174 - 2,22-Dideoxy-3-dehydroecdysone - 23724770 - - 5,6:8,9-Diepoxyergost-22-ene-3,7beta-diol - 131751471 HMDB0033647 - 7,8-Dihydro-7,8-dihydroxykynurenic acid - 439458 - C01249 Benzyl sulfate - 20818 HMDB0034782 - Barogenin - 91826563 HMDB0034403 - 5-Hexyl-1,4-dioxan-2-one - 6455146 HMDB0039587 - Ceramidetrihexoside - 73427341 HMDB0062485 - {[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid - 22833559 HMDB0001068 - Selenocysteine - 25076 HMDB0003288 C05688 13-Demethyl tacrolimus - 131769926 HMDB0060706 - Chrysanthetriol - 46173955 - C17610 2-Hexaprenyl-6-methoxyphenol - 5280825 HMDB0006817 C05802 4a-Formyl-4b-methyl-5a-cholesta-8-en-3b-ol - 25201774 HMDB0012168 - 4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol - 22298937 HMDB0062387 - Norajmaline - 91820294 - - (2R)-O-phospho-3-sulfolactic acid - 443249 - - Stigmastentriol - 72830915 HMDB0029607 - Dioxindole - 6097 HMDB0240741 C11130 Phe-Thr - 10445608 - - 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''2b''aglycone - 5281999 - - LPE(0:0/20:5) - 53480938 HMDB0011489 C04438 mercaptoacetic acid - 1133 HMDB0254464 C02086 Armillaramide - 9807776 HMDB0037105 - 1-Formyl-2-indanone - 441323 - C07726 1-Phenyl-1,3-nonadecanedione - 67738066 HMDB0035584 - Phalloidin - 4752 HMDB0256383 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(5R)-5,10,14,16-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-oxo-1-azacyclohexadec-1(16)-en-4-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131833876 HMDB0127538 - 13'-Carboxy-alpha-tocopherol - 53481461 HMDB0012555 - Fistulosin - 11574561 HMDB0033637 - (2S,6S)-2,6-diaminoheptanedioate - 1549100 - - Methanophenazine - 5281992 - - 4alpha-Formyl-ergosta-7,24(241)-dien-3beta-ol - 102515184 - C22118 MG(18:3(6Z,9Z,12Z)/0:0/0:0) - 53480978 HMDB0011569 C01885 7-Deoxyloganetic acid - 25203533 - C20789 Docosanedioic acid - 244872 HMDB0242127 C19625 dihydromonacolin L acid - 86289733 - C20851 Methaneselenol - 6327000 HMDB0060488 - 10S-hydroperoxy-8E-octadecenoic acid - 56935841 - C20702 15-Deoxoeucosterol - 73816064 HMDB0035142 - n,n,n-Trimethylethenaminium - 10043 HMDB0059961 - Colubrinic acid - 21672700 - - LPA(i-24:0/0:0) - 131821856 HMDB0114770 C00681 (1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol - 72734299 - C20532 4beta-Hydroxystanozolol - 53477768 HMDB0003318 - (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid - 119058149 - C21409 (+)-15,16-Dihydroxyoctadecanoic acid - 5312766 HMDB0031008 - trans-3-Chloroacrylic acid - 638124 HMDB0060515 C06614 Bitocholic acid - 5283892 - C17657 Allopregnane-3alpha,20alpha-diol - 164674 HMDB0060409 C18042 4-Methylthiobutanaldoxime - 25010747 - C17241 | C21535 Vinaginsenoside R12 - 131752935 HMDB0040782 - 5-Hydroxysulfamethoxazole - 10355717 HMDB0060529 - 3,4,5-trihydroxy-6-[2-(1-hydroxy-3-oxopropyl)phenoxy]oxane-2-carboxylic acid - 131837823 HMDB0134070 - (2-Naphthyl)methanol - 74128 HMDB0060303 C02909 muricin E - 11092987 HMDB0036974 - 3-O-Protocatechuoylceanothic acid - 85245649 HMDB0029625 - (1S,16R)-5,7,11,12-tetrahydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-9-one - 131833865 HMDB0127527 - (R)-10-hydroxystearic acid - 12520 - C03195 (2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaen-1-Yl Trihydrogen Diphosphate - 25244578 - C17437 Propylene - 8252 HMDB0256839 C11505 (3S,3'S,5R,5'R,6R)-6,7-Didehydro-5,6-dihydro-3,3',5,8'-tetrahydroxy-beta,kappa-caroten-6'-one - 137199993 HMDB0037796 - Protoanemonin - 66948 HMDB0060503 C07090 4a-Formyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol - 25200700 HMDB0012167 - Aurochrome - 131752075 HMDB0036877 - PE-NMe2(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) - 131821271 HMDB0114163 C00350 Oleoyl tyrosine - 52922062 HMDB0062337 - PE-NMe(14:1(9Z)/15:0) - 131820054 HMDB0112938 C00350 Pseudoginsenoside RT3 - 73816107 HMDB0040491 - 6-deoxy-6-sulfo-D-fructofuranose 1-phosphate - 86289122 - C20831 [(2R)-1-(19-methylicosanoyloxy)-3-phosphonooxypropan-2-yl] henicosanoate - 131822526 HMDB0115870 - 13'-Hydroxy-alpha-tocotrienol - 53481466 HMDB0012560 - 2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone - 73106016 HMDB0035995 - LysoPC(22:2(13Z,16Z)) - 52924059 HMDB0010400 C00157 Momoridcin - 131751041 HMDB0030512 - 1,26-Hexacosanediol diferulate - 129681811 HMDB0030751 - 2,6,7,4'-Tetrahydroxyisoflavanone - 23724671 - - [2-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate - 131831379 HMDB0124788 - Donhexocin - 100913738 HMDB0033087 - 4a-Methylzymosterol-4-carboxylic acid - 53477909 HMDB0006927 - P,P-Dioctyldiphenylamine - 7569 HMDB0061926 - Stigmatellin Y - 5282078 - C12150 [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate - 101670645 HMDB0041180 - N,N-dihydroxy-L-valine - 25202133 - C20314 Camelliagenin B - 10051197 HMDB0034531 - N-Stearoyl GABA - 162685 HMDB0062341 - (3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside) - 23724610 - - 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid - 131832591 HMDB0126148 - 6-[6-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2,3-dimethoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131839068 HMDB0135491 - Fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol - 90657944 - - 1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol - 11954106 - - Centellasaponin A - 73816484 HMDB0040120 - 4-Methylthiobutylthiohydroximate - 25202476 - C17243 | C21871 [(3R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate - 15703425 - - 4-Amino-4-deoxychorismic acid - 443142 HMDB0304170 C11355 3-Phenyl-1-[(3R)-3-[(2R)-piperidin-2-yl]piperidin-1-yl]prop-2-en-1-one - 442627 - - 15-cis-4,4'-Diapophytoene - 14019219 - - Ganoderic acid eta - 10721020 HMDB0036309 - (2beta,3alpha,9alpha,24R)-Ergosta-7,22-diene-2,3,9-triol - 131752255 HMDB0037914 - xi-8-Hydroxyhexadecanedioic acid - 16061042 HMDB0037831 - Ganoderiol I - 15602271 HMDB0037778 - 3-Decanoyl-sn-glycerol - 3085401 HMDB0072866 C01885 N-acetylornithine - 439232 HMDB0003357 C00437 Isoglabrolide - 15559941 HMDB0035886 - (3S,6S)-6-isopropenyl-3-methyloxepan-2-one - 443169 - - N-Nitrosomethylamine - 108081 HMDB0062508 C20306 alpha,alpha'-Trehalose 6-mycolate - 44176383 - C04218 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one - 74977560 HMDB0127231 - ginsenoside Mc - 9896928 HMDB0062593 - N,N-dihydroxy-L-phenylalanine - 18600969 - C19715 N-methyl-2-oxoglutaramic acid - 440065 - C03623 Nitromethane - 6375 HMDB0255654 C19275 1-alpha-Linolenoyl-glycerol - 53480979 HMDB0011570 C01885 Dodecanamide - 14256 HMDB0251566 C13831 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol - 133187 HMDB0001421 - aflatoxin B1 dialcohol - 53481022 HMDB0011672 - 2-Oxo-3-(2,3,4,5-tetrahydroxyphenyl)propanoic acid - 131831752 HMDB0125223 - Pyranocyanin A - 11192981 HMDB0035420 - PE(18:3(6Z,9Z,12Z)/22:1(13Z)) - 53479676 HMDB0009139 C00350 Homodolicholide - 13517130 HMDB0033907 - (4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid - 131837159 HMDB0133213 - 1-[8-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-3-methylnaphthalen-2-yl]ethanone - 101093582 HMDB0037100 - LysoPC 18:1 - 53480465 HMDB0010385 C00157 Bacteriochlorophyllide a - 46174060 - C18155 notoamide S - 38363979 - - R.g.-Keto I - 23724691 - - Tsugaric acid B - 101936600 HMDB0031962 - LPA(24:0/0:0) - 17786802 HMDB0114756 C00681 9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-7-ium - 23724732 HMDB0301918 C16352 N-Oleoyl-4-aminobutyric acid - 16759340 HMDB0062335 - 4-Amino-1-piperidinecarboxylic acid - 445262 HMDB0060385 C16837 cis-Ferulic acid [arabinosyl-(1->3)-[glucosyl-(1->6)]-glucosyl] ester - 131751608 HMDB0034682 - Chivosazole E - 10843143 - - (6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol - 102515311 - - 1,26-Dicaffeoylhexacosanediol - 131751079 HMDB0030750 - 3-(2'-Methylthio)ethylmalic acid - 25203497 - C17212 Ichangin 4-glucoside - 131752610 HMDB0039340 - [(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] 22-methyltetracosanoate - 131822403 HMDB0115747 - [(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] 22-methyltricosanoate - 131822579 HMDB0115923 - Tricosanoylglycine - 45357456 HMDB0013314 - (+)-Sabinone - 439592 - C01868 3-(4-Hydroxyphenyl)-2-sulfooxypropanoic acid - 21589807 HMDB0132292 - L-Metanephrine - 688084 HMDB0062493 C05588 Benzoyl-beta-D-glucoside - 12314096 - - 5-O-beta-D-mycaminosyl-20-oxotylonolide - 13042283 - C20760 [(1R,2R,3R)-2-methyl-3-[(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate - 5280591 HMDB0003023 C03427 [(1R,2S,4R,5S,6S,11R,12R,14S,16R)-5,6,11-Trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate - 57509453 - - 3-[7,8,12,17-Tetrakis(2-carboxyethyl)-13,18-bis(carboxymethyl)-3-methyl-22,23-dihydroporphyrin-2-yl]propanoic acid - 53477738 HMDB0001956 - (3S,4S,5S,10S,13R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol - 25203414 - - Coproheme III - 42626838 - C21284 Anhydroglycinol - 442667 HMDB0301850 C10200 (S)-Skyrin 2-glucoside - 85149902 HMDB0036320 - 3-(1-Methylpyrrolidin-2-yl)-1-oxidopyridin-1-ium - 17785 HMDB0255588 - Pisumoside A - 85229547 HMDB0037126 - Pentacosanoylglycine - 53481662 HMDB0013297 - 1,4-Dihydroxy-2-naphthoic acid - 671 HMDB0244212 C03657 6'-Hmg sdg - 131752785 HMDB0040282 - 4a-Carboxy-5a-cholesta-8-en-3b-ol - 25200718 HMDB0012166 - DL-Glutamate - 611 HMDB0060475 C00302 5,6-Dihydro-5-fluorouracil - 121997 HMDB0060402 C16630 Pentadecanoylcarnitine - 123132011 HMDB0062517 - R.g.-Keto III - 23724692 - - (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-3-(2-hydroxy-2-methylpropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone - 101055478 HMDB0040135 - Mycinamicin viii - 15056855 - - (2-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxidanesulfonic acid - 131833481 HMDB0127103 - Dihydromethanophenazine - 5281993 - - [(3-oxo-1-phenylbutan-2-yl)oxy]sulfonic acid - 131837588 HMDB0133766 - 1-docosanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphate - 52929298 HMDB0115244 - N-Stearoyltyrosine - 6710116 HMDB0062343 - magnesium;methyl (3R,11Z,12R,21S,22S)-16-acetyl-11-ethylidene-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate - 124201686 - C21435 magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate - 11953965 - C11850 Norbormide - 13814 HMDB0257112 - Pubesenolide - 72999858 HMDB0033728 - 2-Formaminobenzoylacetate - 440807 - C05835 2-Hexaprenyl-6-methoxy-1,4-benzoquinol - 25244288 HMDB0012148 - PC(14:0/P-18:1(11Z)) - 53478619 HMDB0007897 C00157 1,28-Octacosanediol diferulate - 131752291 HMDB0038065 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({1-hydroxy-3-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-3-methylbutan-2-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131836488 HMDB0130317 - N-[(9Z)-3-hydroxyhexadec-9-enoyl]sphingosine-1-phosphocholine - 53481779 HMDB0013463 C00550 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid - 131834970 HMDB0128669 - N-Acetyl-leu-leu-tyr-amide - 443109 - C11297 Iriomoteolide 1a - 16723501 - C20009 6-{[(16S)-5,7-dihydroxy-8,8,10,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-methylidene-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131833941 HMDB0127603 - 2-Oxo-4-phosphonobutanoate - 14668642 - C17941 6-hydroxytryprostatin B - 71296150 - C20513 3,4,5-trihydroxy-6-(5-hydroxy-2-{7-hydroxy-3-[(6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-2-yl}phenoxy)oxane-2-carboxylic acid - 131835924 HMDB0129686 - Nomega-hydroxyarginine - 440849 - - 1-Eicosanoyl-glycero-3-phosphate - 52929752 HMDB0062315 - N-[(9Z)-3-hydroxytetradec-9-enoyl]sphingosine-1-phosphocholine - 53481777 HMDB0013462 C00550 Bacteriohopanetetrol-acetylglucosamine - 118797259 - C21120 Chivosazole B - 10795654 - - Germacra-1(10),4,11(13)-trien-12-oic acid - 25245825 - C19678 2-Amino-4-methylvaleric acid - 7045798 - - Saringosterol 3-glucoside - 131750895 HMDB0029767 - corchorusoside C - 44566921 HMDB0033039 - LPE(0:0/18:2) - 53480926 HMDB0011477 C00350 Norzolmitripan - 29978255 HMDB0060966 - Indolylmethylthiohydroximate - 24892785 - - Cartormin - 131751684 HMDB0035209 - N-oleoyl phenylalanine - 52922059 HMDB0062336 - Hydroxysintaxanthin 5,6-epoxide - 131752541 HMDB0039086 - dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose - 15519420 - C12318 6-{[(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131834382 HMDB0135464 - Pyrimidine 5'-deoxynucleotide - 46173772 - C08249 Clozapine glucuronide - 131769989 HMDB0060901 - PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52924892 HMDB0009111 C00350 Leptophos - 30709 HMDB0031798 - 3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol - 253758 - - (3R,5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol - 23724679 - - 5-Chloro-6-methoxy-2-benzoxazolinone - 15636 HMDB0032846 - 1-tetradecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoethanolamine - 52924125 HMDB0008843 C00350 (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid - 86583392 - C21086 4,6-Tricosanedione - 91713154 HMDB0035565 - Limocitrol 3-glucoside - 44260059 HMDB0037690 - Jadomycin B - 50986109 - - Ginsenoyne M - 101084302 HMDB0035522 - PE(14:1(9Z)/22:2(13Z,16Z)) - 52924154 HMDB0008876 C00350 (3S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol - 25244322 - - 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate - 53481018 HMDB0011662 C04840 1D-1-O-(indol-3-yl)acetyl-myo-inositol - 440152 HMDB0031182 - 12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6,11-dihydroxy-2-(hydroxymethyl)-2,5-dimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one - 131838921 HMDB0135319 - Carnitine C11:0 - 53477801 HMDB0006202 - N-Palmitoyl GABA - 197197 HMDB0062338 - Hydroxyhomodestruxin B - 85262217 HMDB0039897 - Thienodihydropyridinium - 71314787 HMDB0013924 - 5-Oxoavermectin''1a'' aglycone - 11953988 - - (Z)-2-hydroxy-3-aminoperacrylic acid - 56927732 HMDB0304002 C20250 beta-Casomorphin(1-6) - 131769861 HMDB0060168 - [(2R)-2-(17-methyloctadecanoyloxy)-3-phosphonooxypropyl] 19-methylicosanoate - 131822541 HMDB0115885 - [(2R)-2-decanoyloxy-3-phosphonooxypropyl] 22-methyltetracosanoate - 131822401 HMDB0115745 - Momordicoside D - 131751649 HMDB0035011 - 1-pentadecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphoethanolamine - 52924168 HMDB0008901 C00350 Periandrin V - 192588 HMDB0039591 - cis-Dihomoaconitic acid - 25244890 - C20581 4alpha-Hydroxymethyl-ergosta-7,24(241)-dien-3beta-ol - 102515391 - C22117 N-methyl-beta-alanine - 25202453 HMDB0304427 - Ecdysone palmitate - 439785 - C02681 ISOPRENE - 6557 HMDB0253673 C16521 Neopikromycin - 86289546 - C20739 Avermectin B1b monosaccharide - 11953979 - - cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate - 9543346 - C18272 PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) - 52923365 HMDB0008504 C00157 Episterone - 14826704 - C22122 (2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside) - 23724609 - - Mycolactone F - 24757914 - C21278 [(2R)-2-(19-methylicosanoyloxy)-3-phosphonooxypropyl] 19-methylicosanoate - 131822543 HMDB0115887 - Glabrin D - 15478862 HMDB0033613 - 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium - 439786 - C02691 5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one - 131833353 HMDB0126974 - Sterol 3-beta-D-glucoside - 440070 - C03641 N-(2R-Hydroxytricosanoyl)-2S-amino-1,3S,4R-octadecanetriol - 25200791 HMDB0035470 C00195 PC(14:1(9Z)/P-18:1(11Z)) - 53478643 HMDB0007930 C00157 (1R,9R,10S,12R,13S,14R,16S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol - 443416 - - 1-Deoxycapsidiol - 14486926 - - (5-methyl-2-methylidenehexyl) (Z,2S)-2-hydroxy-6-[(1S,4Z,6E,9R,11R,12S,13S,14E,16Z,19E,21R,23R,24R)-11-hydroxy-24-(hydroxymethyl)-12,15,24-trimethyl-3-oxo-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-23-yl]hex-4-enoate - 56928132 - C19903 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid - 131832596 HMDB0126155 - 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester - 131752809 HMDB0040398 - 3-azaniumylpropanoate - 4755801 - - 3-[(3S,5R,8R,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one - 10723382 HMDB0033085 - 1-Octadecyl-glycero-3-phosphate - 10432493 HMDB0011144 - 6-[5-(2-{[3-(3,4-dimethoxyphenyl)-1-hydroxypropylidene]amino}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131839090 HMDB0135513 - beta-D-Glucosyloxydestruxin B - 131752783 HMDB0040136 - Fusicocca-2,10(14)-diene-8beta,16-diol - 90658198 - - (2R)-2-amino-3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanylpropanoic acid - 25246415 - C17237 S-(4-methylthiobutylhydroximoyl)-L-cysteine - 46173872 - C17242 Muricatenol - 131751882 HMDB0035900 - 5,7,24(28)-Ergostatrienol - 46173808 HMDB0060404 - [(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] 19-methylicosanoate - 131822517 HMDB0115861 - 13-(beta-D-glucosyloxy)docosanoic acid - 440222 - C04103 1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-4-hydroxy-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one - 131832870 HMDB0126452 - Osthenol-7-O-beta-D-gentiobioside - 46173917 - C17476 3-Nitroacrylic acid - 5280501 - C02231 Methyl(e)-2-hydroxy-4-methoxycinnamate - 10608429 - - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131835396 HMDB0129113 - [(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] 19-methylicosanoate - 131822519 HMDB0115863 - 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1a'' aglycone - 5282023 - - Coumeroic acid - 54691351 - C12478 (13S)-edaxadiene - 56927801 - C19964 LY-3381916 - 132209614 - - 1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine - 52925636 HMDB0112533 - Phe-Trp-Gly - 44611826 - - Alanylmethionylarginine - 18218461 - - (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol - 10255702 - - methyl (2R)-2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0(1),(1)(2).0(3),]heptadecan-7-yl]-2-hydroxyacetate - 23983734 - - [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate - 131823274 HMDB0116641 C00344 Tyr-His-Ile-Glu - - - - Glochidacuminoside C - 21577091 - - Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside] - 131751503 HMDB0033887 - Cyanopeptolin A - 23724557 - - Secologanin dibutyl acetal - 101688192 - - [(4E,10E)-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate - 9915490 - - Caffeoylhawthorn acid - - - - prostaglandin G2 2-glyceryl ester - 91666454 HMDB0062591 - PG(a-13:0/18:2(9Z,11Z)) - 131823270 HMDB0116637 C00344 acarbose 7IV-phosphate - 90659861 - C21156 2-hydroxy-3-[3-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-sulooxyphenyl]propanoic acid - 131837206 HMDB0133270 - PA(14:1(9Z)/20:3(8Z,11Z,14Z)) - 52928721 HMDB0115507 - gentamycin C1a(5+) - 25200338 - - (2Z)-4-[(1S,3aR,5S,6S,6aS,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5,6-dimethoxy-8-hydroxy-3,3a,4,5,6,6a-hexahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid - 101258584 - - PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131820382 HMDB0113269 C00350 1-Ethyl-6-fluorobenzoimidazole - 46739578 - - Sterequinone C - 101260667 - - PS(15:0/22:4(7Z,10Z,13Z,16Z)) - 52925269 HMDB0112336 - Arachidonic acid-biotin - 146156686 - - IAARh123 - 656577 - C11599 dihydrozeatin-9-N-glucoside-O-glucoside - 25201670 - - 6-Mercaptopurine ribonucleoside triphosphate - 3036942 HMDB0060411 C16617 Mallophenol B - 11156928 - - 6'''-Deamino-6'''-oxoparomomycin II - 90657460 - C21263 Methyl (1S,4aS,7aS)-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate - 25079954 - - PA(15:0/18:3(6Z,9Z,12Z)) - 52928737 HMDB0114816 - Hoffmanniolide - 56928152 - C20008 PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52927465 HMDB0009821 - PA(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52928729 HMDB0114809 - Benzyl trisulfide - 122842 HMDB0249077 - [(2R)-1-[(Z)-docos-13-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate - 131822089 HMDB0115295 - Cyclohexene, 4-methyl-1-(1-methylethyl)- - 10369 HMDB0037213 - (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate - 6560146 - - N-di-Demethyl roxithromycin - 131769919 HMDB0060612 - 3-Demethylubiquinol-8 - 50986110 - - desferrimycobactin T - 136041710 - - NCGC00380715-01_C27H38O8_9-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate - 57509435 - - [(2R)-2-[[[(2S)-2-benzamido-3-phenylpropanoyl]amino]methyl]-3-phenylpropyl] acetate - 5321123 - - 1-Heneicosanoyl-2-heptadecanoyl-glycero-3-phosphate - 52929274 HMDB0115230 - Gerronemin A - 5317575 - - PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) - 52925551 HMDB0112496 - PIP(16:0/18:0) - 131750481 HMDB0009923 - PA(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) - 52928722 HMDB0114801 - PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) - 131821655 HMDB0114548 C00350 welforlide B - 90476631 - - 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) - 449008 HMDB0010572 C00344 Urolithin A-3-O-glucuronide - 124202090 HMDB0029222 - Deoxycytidine-diphosphate - 21122964 - - Soyasaponin gammag - - HMDB0302657 - PA(20:0/22:4(7Z,10Z,13Z,16Z)) - 52929118 HMDB0115085 - PC(18:1(9Z)/22:2(13Z,16Z)) - 52922703 HMDB0008119 C00157 Glu-Ala-Leu-Phe-Gln-pNA - - - - Lactariamide B - 10995547 HMDB0039077 - [3-[5-hydroperoxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate - 25244185 - - PA(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 24779561 HMDB0114849 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) - 131822165 HMDB0115427 - 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine - 52925310 HMDB0112351 - (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one - 11239973 - - [(2R,3R,4R,5R,6S)-3-acetamido-5-[(2R,3R,4R,5R,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy-[(6E)-3,7,11-trimethyldodeca-6,10-dienoxy]phosphoryl] hydrogen phosphate - 5280705 - - Monoanhydrobacterioruberin - 10985438 - - PE(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 52924374 HMDB0009104 C00350 5-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-12-enyl]benzene-1,3-diol - 38362565 - - Quercetin 3, 4', 7-trisulfate - 21676176 - - Amurensin D - 5318202 - - PG(i-12:0/18:2(9Z,11Z)) - 131823287 HMDB0116654 C00344 4''-O-Carbamoyl ansamitocinoside P-3 - 56928172 - C20140 6-{[1-carboxy-8-hydroxy-3,5-dioxo-9-(sulfooxy)-1H,2H,3H,5H-cyclopenta[c]isochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131837560 HMDB0133722 - 4-Hydroxyprotoasukamycin - 118796885 - C21146 PS(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) - 52925666 HMDB0112561 - 2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione - 122190710 - - 1-[1-[1-[1-[1-[1-(1-Butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol - 22667368 - - Menaquinol-10 - 24826776 - - (±)-Myristylcarnitine - 129848377 - - Velpatasvir - 67683363 - - Pgp(16:0/20:4(5Z,8Z,11Z,14Z)) - 53481802 HMDB0013482 C00344 1-[18-Hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol - 91820474 - C00641 6-[[8-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131835516 HMDB0129235 - PGP(a-13:0/a-13:0) - 131823167 HMDB0116512 C00344 PC(20:2(11Z,14Z)/24:1(15Z)) - 53478933 HMDB0008356 C00157 PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 53481755 HMDB0013450 C00157 PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 10854909 HMDB0008354 C00157 PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 52924236 HMDB0008972 C00350 2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-diol - 25245880 - - Oxaloglutarate - 440718 - C05533 6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131833985 HMDB0127649 - Dihydrocaffeic acid 3-O-glucuronide - 49844972 HMDB0041720 - Multifloroside - 10919492 - - Prolylglutaminylarginine - 18223533 - - 3-Hydroxytetradecanoate - 22053132 HMDB0094672 - 6beta-Chloro-4aalpha,5alpha,7alpha-trihydroxy-7-methyl-1,4a,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-1alpha-yl beta-D-glucopyranoside - 12311244 - - {4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid - 131835285 HMDB0128999 - 5-Bromo-1-tert-butyl-6-fluorobenzotriazole - 70699745 - - Pregnenolone sulfate - 105074 HMDB0060382 C18044 1-(4-Chlorophenyl)-3-(pyridin-3-ylmethyl)thiourea - 724437 - - (Z)-1-(2',4',5'-Trimethoxyphenyl)butadiene - 91751384 - - N-(15Z-tetracosenoyl)-1-beta-glucosyl-sphinganine - 6321367 - - L-beta-aspartyl-L-phenylalanine - 19365658 HMDB0011167 - 4-Hydroxybenzophenone - 14347 HMDB0240708 C14230 Nalpha-(indol-3-ylacetyl)-glutamine - 7097451 - - [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-octadec-9-enoate - 131821150 HMDB0114041 C00641 H-1152 Glycyl Dihydrochloride - 11976582 - - PC(o-22:0/20:4(8Z,11Z,14Z,17Z)) - 53481751 HMDB0013448 C00157 N,N-dihydroxy-L-tyrosinate - 25200532 - - Cysteylcysteyllysine - 18219834 - - L-dihydroanticapsin - 86583396 - C20940 (3R,6S,9Z)-1-Methylene-4beta-bromo-5,5-dimethyl-9-(bromomethylene)spiro[5.5]undeca-7-ene-3beta-ol - 23425337 - - 5-Hydroxyaloin A 6'-O-acetate - 11972368 - - Serylvalylarginine - 18224153 - - N-(9-oxodecyl)acetamide - 38358941 - - 6-(2-Hydroxyethoxy)-6-oxohexanoic acid - 4066086 HMDB0061681 - (+)-(7S,8S)-guaiacylglycerol - 12310249 - - 1-Octadecanoyl-2-tetracosanoyl-sn-glycero-3-phosphocholine - 24778880 HMDB0008058 C00157 Azaspiracid 2 - 77519848 HMDB0038234 - 5-methylphenazin-10-ium-1-one - 3532632 - - 2-Hydroxy-3-(phosphonooxy)propyl octanoate - 17786733 HMDB0114740 C00681 2-(4-Methylpentanoylamino)-3-phenylpropanoic acid - 43183355 - - 2-(8-Hydroxy-2-oxotridecyl)-6-oxopyran-4-olate - 91820015 - - PA(15:0/20:5(5Z,8Z,11Z,14Z,17Z)) - 52928746 HMDB0114823 - Fenuron tca - 20565 - C19077 N,N'-Trimethylenebis(2-pyrazinecarboxamide) - 2165355 - - L-4-hydroxyphenylglycine-L-arginine - 122706601 - - 3-O-beta-D-Glucopyranosyl-1-deoxy-L-erythritol - 21579144 - - gamma-L-glutamyl-(S)-trans-1-propenyl-L-cysteine - 91820095 - - Aspartyltyrosyllysine - 18219716 - - Pgp(16:0/22:4(7Z,10Z,13Z,16Z)) - 53481803 HMDB0013483 C00344 [1-(2-Hydroxyphenyl)-3-oxopropan-2-yl] hydrogen sulate - 131837822 HMDB0134069 - PC(14:0/18:3(9Z,12Z,15Z)) - 24778625 HMDB0007876 C00157 1-(4-Fluorophenyl)-2-(pyrrolidine-1-yl)heptane-1-one - 102144587 - - 2-[[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium - 5282288 - C00157 6-[1-(3,4-dimethoxyphenyl)-2-{[3-(3,4-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131839064 HMDB0135487 - 9-[(2S)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one - 133561745 - - (2-{[3-(3,4-Dihydroxy-5-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium - 131839396 HMDB0136315 - N-(2,4-Dinitrophenyl)ethylenediamine - 168833 HMDB0245740 - 3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxyprop-1-en-1-yl)-3,4-dimethoxyphenoxy]oxane-2-carboxylic acid - 131835017 HMDB0128718 - 1',2'-Dihydro-1,1'-dimethyl-2'-oxo-4,4'-bipyridinium(1+) - 181860 HMDB0035170 - Glu-Ala-Asp - 78224481 - - (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraene-1-sulfonic acid - 125181428 - - Prolyltryptophylarginine - 18223728 - - PG(18:0/18:3(6Z,9Z,12Z)) - 52926580 HMDB0010606 C00344 Tapentadol O-Sulfate - 71752327 - - 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dimethoxy-3-(4-methoxyphenyl)chromen-4-one - 45783184 - - 1-Adamantan-1-yl-3-(3-hydroxypropyl)urea - 2235217 - - beta,beta'-Thiodi-L-alanine - 6994972 - - Cysteylisoleucyllysine - 18219930 - - 2-Trifluoromethyl-2'-methoxychalcone - 53262706 - - Tridihexethyl bromide - 443395 - - Flammein A - 15378285 - - 7-Methylinosine - 135926583 HMDB0003950 - 5-Bromo-2-(4-nitrophenoxy)pyrimidine - 46738267 - - 1-Methyl-2-fluoropyridinium - 171632 - - Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]- - 77718 HMDB0246648 - N-Lauroylsarcosine - 7348 HMDB0255165 - (4R,6S,9S,10S)-4-bromo-10-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-9-ol - 21675029 - - methyl 8beta,9alpha-dihydroganoderate J - 139583646 - - Hydroxyhexanoycarnitine - 53481624 HMDB0013131 - 1-(5-Chloro-2-methoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea - 978196 - - Platanionoside I - 11763082 - - Galabiosylceramide (d18:1/20:0) - 20057276 HMDB0004835 C06126 Phenytoin catechol - 169703 HMDB0060865 - 5-(Dihydroxymethyl)-2-furoate - 86290065 - - 6-(5-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid - 92024354 HMDB0124991 - Glutaminylisoleucylarginine - 18220679 - - Nonapropylene glycol - 21989361 - - 13-Heptadecyn-1-ol - 557439 HMDB0013813 - 2,6-Dimethoxy-4-[(R)-1-hydroxypropyl]phenyl beta-D-glucopyranoside - 11122303 - - 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine - 24779546 HMDB0010167 C02737 Hydroxypropionylcarnitine - 53481613 HMDB0013125 - 2-Hydroxy-3-oxobutyl phosphate - 669 HMDB0304013 C15556 Cenocladamide - 15463391 - - O4''-Demethylthalicarpine - 102278100 - - 7-Ethoxy-4-methylcoumarin - 66595 HMDB0035095 - 18-Hydroxystearate - 21891501 - - Imetit - 3692 HMDB0253410 C17931 1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate - 52928795 HMDB0114853 - Naphthalen-1-yl(9-pentyl-9h-carbazol-3-yl)methanone - 118796466 - - Ethyl cis-1-propenyl disulfide - 6429311 - - Desoxyhemigossypol-6-methyl ether - 373913 - - 2-(2-Propynyloxy)-benzenehexanoic acid - 91886099 - - p-Anisidine - 7732 HMDB0029300 C19326 3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine - 90658023 - - 2-[(4-Hydroxy-3-methoxyphenyl)methylidene]propanedinitrile - 19424 - - 2,4-Dichlorophenoxyacetate - 3388301 - - 2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide - 2849628 - - PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 24778639 HMDB0007892 C00157 Scropolioside D - 6918700 - - 1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine - 14162526 HMDB0302866 - 3-Methyl-5-propyl-2-furantridecanoic acid - 101622746 HMDB0112079 - Saponin IV methyl ester - - - - Deoxypumiloside - 46173817 - - Tyr-Leu-Glu-Arg - - - - 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester - 4633677 HMDB0253597 - Cyclocreatine - 2896 HMDB0250642 - N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide - 44420548 HMDB0139525 - 1-O-beta-D-malylglucose - 90658165 - - 16-Hydroxytabersoninium - 25200666 - - (4r)-4-Methyl-6-[1-Methyl-3-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One - 121271792 - C73607 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate - 124202066 HMDB0059977 - 2-Arachidonoylglycerophosphocholine - 16035470 HMDB0061699 C00157 Methyl 3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoate - 102571590 - - 1-pentadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine - 52925268 HMDB0116749 - Tyr-Trp-Cys - 71471845 - - P1,P4-Bis(5'-xanthosyl) tetraphosphate - 440322 HMDB0003834 C04392 (Hydroxymethyl)(3-aminopropyl)phosphinic acid - 3574432 - - 3-[(Z)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole - 1549877 - - 1-Methylpyrrolinium - 440932 HMDB0060253 C06178 1,4-Benzoquinone dinitrophenylhydrazone - 81192 - - (3R,5S,6E)-3,5-Dihydroxy-7-[2-isopropyl-4-(4-fluorophenyl)-5-(hydroxymethyl)-6-[(S)-1-methyl-2-hydroxyethyl]-3-pyridinyl]-6-heptenoic acid - 10322058 - - N-(cyclopropylmethyl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide - 129514132 - - 3-Cyclohexyl-1-propylsulfonic acid - 70815 HMDB0244400 - (9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-phenoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-10-ol - 5317802 - - Morpholin-4-ium (4-methoxyphenyl)morpholin-4-ylphosphinodithioate - 53393943 - - 8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol - 131838746 HMDB0135076 - Carnitine C15:DC - - - - Poloxamer-188 - 22895896 HMDB0032263 - chanoclavine-I(1+) - 71296212 - - Salvigreside B - 11307037 - - Bis(2,3-dihydroxypropyl) phosphate - 25202983 - - Gly-Trp-Ser - 145455710 - - 4,5-Didemethylsimmondsin 135074-86-1 101993520 - - Guanosine 3'-diphosphate 5'-triphosphate(6-) - 135398628 - - 6-beta-Hydroxy-mometasone furoate - 131769950 HMDB0060783 - 4-[(4Z,8Z)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one - 5353712 - - 3,3',5,5'-Tetramethylbenzidine - 41206 HMDB0246947 - PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) - 53479427 HMDB0008753 C00157 1,3-Bis(2-methylprop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione - 920180 - - PE(22:0/22:4(7Z,10Z,13Z,16Z)) - 52924739 HMDB0009504 C00350 1,2-Dipalmitoyl-phosphatidyl-glycerole - 446440 HMDB0010570 C00344 Crimidine - 10813 HMDB0250537 C19138 (1alpha,3beta,20S,22R,24S,25S)-Pubescenin - 131750942 HMDB0030011 - Lucidumoside B - 101093178 - - 3-oxo-3-[[3,4,5-trihydroxy-6-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]oxan-2-yl]methoxy]propanoic acid - 102571635 - - 5-Hydroxyindoleacetylglycine - 440806 HMDB0004185 C05832 13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid - 45360219 - - (2E)-2-[(9Z,11S,13S,17S,25Z,27S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol;dichloride - 44427885 - - 2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridine-6-carboxylate - 44123380 - - 2-Methoxy-10-[2-methyl-3-(methylamino)propyl]-10H-phenothiazine - 10335813 HMDB0255124 - UDP-D-galactose - 18068 - - 1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate - 75106993 HMDB0062327 - Ser-Gly-Thr - 9965117 - - NCGC00384750-01_C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate) - 51136426 - - PI(18:2(9Z,12Z)/20:1(11Z)) - 52927778 HMDB0009852 - PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 24779562 HMDB0114893 - Clavulanic acid anion - 16204478 - - (Z,4Z)-1-hydroxy-4-(5-methyl-3,6-dioxopyridin-2-ylidene)-1-oxobut-2-en-2-olate - 122706013 - - 1-{4-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenyl}-3-[3-(Trifluoromethyl)phenyl]urea - 25011745 - - 15(S)-15-Methylprostaglandin F2alpha isopropyl ester - 91746139 - - 5-Phenyl-1,3-oxazinane-2,4-dione - 21350393 HMDB0060400 C16596 4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone - 5838784 - - N(alpha)-gamma-L-Glutamylhistamine - 440238 - C04138 Dihydrocapsiate - 9873754 HMDB0034781 - dTDP-beta-L-rhodinose - 24892777 - C12447 2-Azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate - 25243900 - - alpha-Hydroxysalmeterol - 197627 HMDB0061045 - Grevillol - 174862 - - PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 52922286 HMDB0007918 C00157 11-nitro-1-undecene - 543829 HMDB0062669 - 3-(4-Morpholino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-yl)phenol - 25229608 - - PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) - 52924155 HMDB0008877 C00350 3-Oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4S)- - 11305122 - - [3-[Hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate - 9547030 HMDB0112975 C00641 5'-Deoxy-5-fluorocytidine - 10037499 HMDB0060404 C16635 Tetrahydrogeranylgeranyl diphosphate - 25244233 - C17440 2-Linoleoylglycerol-1,3-di-O-glucoside - - - C01885 [(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate - 56773940 - - Chlorsulfuron - 47491 HMDB0250141 C05071 (E)-8-Methyl-6-nonenoate - 23111393 - - N-Nonanoylglycine - 10176752 HMDB0013279 - N-Nitrosodiethanolamine - 14223 HMDB0255203 C19278 4-hydroxy-N,N-dimethylbenzenecarbothioamide - 1518692 - - Suillusin - 10317061 HMDB0037371 - (±)-2-Propylthiazolidine - 146885 HMDB0040058 - Carnitine C17:1:DC - - - - (6S)-6-[[(4R)-4-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoic acid - 5462273 - C04904 Cys-Trp-His - 71471628 - - gibberellin A38 - 25203635 - - trans-4-Methoxy-4'-(methylthio)chalcone - 5378217 - - 2-Hydroxy-3-morpholinopropane-1-sulfonic acid - 109333 HMDB0254881 - 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione - 45100448 - - p-Hpea-eda - 16681728 HMDB0029305 - [(3aR,4R,6E,10Z,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate - 98376584 - - Lys-Trp-Cys - 10296690 - - Lupinate - 25243933 - - (5Z,7E)-(1S,3R,24S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol - 5283756 - - PS(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) - 52925449 HMDB0112420 - [(Z)-[7-methylsulfinyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylheptylidene]amino] sulfate - 44237206 - - Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate - 45790959 - - 3,4,5-trihydroxy-6-[4-[(E)-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-enoyl]phenoxy]oxane-2-carboxylic acid - 131832323 HMDB0125857 - Limocitrin 3-rutinoside - 44259990 HMDB0037579 - Avermectin A2b aglycone - 11953971 - C11956 28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinoside - 14284451 HMDB0032101 - Met-Trp-Met - 145457085 - - 1-Hexanoyl-sn-glycero-3-phosphocholine - 13917464 HMDB0029207 C00157 Dictyoquinazol A - 637050 HMDB0040435 - Febarbamate - 25803 HMDB0252183 - 5-amino-N-(4-bromophenyl)-2-fluorobenzene-1-sulfonamide - 39870104 - - (Z,Z)-4-((1-Oxo-9,12-octadecadienyl)amino)butanoic acid - 6438152 HMDB0062334 - Cucurbitoside D - 11156927 - - (31R)-8-ethyl-12-methylbacteriochlorophyll e - 122706607 - - N-[4-(3-acetamidopropylamino)butyl]acetamide - 389613 HMDB0041947 - 3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine - 6918451 HMDB0245619 - PDMP - 6610216 - - N-formylmaleamate - 46173390 - - Cytidine, 3',5'-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]- - 3759049 - - (S)-Skyrin 6-xylopyranoside - 21579631 - - Shancigusin B - 42642927 - - Hexyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside - 14655094 - - 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxychromen-4-one - 5321057 - - Thr-Thr-Ser - 25231057 - - Val-Glu-Met - 10134201 - - 3-Demethylubiquinol-9 - 86583403 - - 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol) - 52927621 HMDB0009791 - Ser-Trp-Ser - 145457905 - - 3-benzyl-3,6-disulfide-6-(hydroxymethyl)-DKP - 90657891 - - (7abeta)-1beta-[2-Methoxy-2-methylpropyl]-3aalpha-methyl-7-methylenehydrindane-4alpha-ol - 10923031 - - 1-(9Z-hexadecenoyl)-2-pentadecanoyl-glycero-3-phosphate - 52928796 HMDB0114854 - isopentenyladenine-9-N-glucoside - 25200472 HMDB0012240 - (2-Anilino-2-oxoethyl)-trimethylazanium - 31570 - - Mosapride - 119584 HMDB0254899 - Norchlorpromazine - 62875 HMDB0061135 - dehydro-IAN - 134820067 - - All trans decaprenyl diphosphate - - HMDB0006288 - tert-Butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate - 46739705 - - N-1-Naphthalenyl-1-pentyl-1H-indazole-3-carboxamide - 119058030 - - 16alpha,25-Dihydroxy-24-methylene-3,4-secolanosta-4(28),7,9(11)-triene-3,21-dioic acid - 102378062 - - PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) - 52924874 HMDB0009399 C00157 N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-) - 45266641 - - 5-[(pyridin-3-ylmethyl)sulfanyl]-1H-1,2,4-triazol-3-amine - 4387864 - - Benzamide, 3-[[[[[4-(aminocarbonyl)phenyl]amino]carbonyl]amino]methyl]-N-(1,2,3,4-tetrahydro-7-isoquinolinyl)- - 44819541 - - 9-Benzyl-5-[(furan-2-ylmethyl)amino]-7,8,9,10-tetrahydro[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile - 29111296 - - (1R,13R,14R,26R)-1,14-dihydroxy-9,22-diphenyl-2,15-dioxaoctacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-3(12),4,6(11),7,9,16(25),17,19(24),20,22-decaene-27,28-dione - 636470 HMDB0033185 - (2E,4E)-3,8,8-trichloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4,7-trienoic acid - 5280975 - C06645 Apigenin-8-C-arabinoside-7-O-(6''-salicyloyl)glucoside - - - - Asp-His-Val - 145454458 - - Tuliposide A - 108011 HMDB0303140 C08561 6-hydroxy-IAA-valine - 126961128 - - [(1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-yl] acetate - 5315230 - - N-(4-bromo-2,6-dimethylphenyl)pentanamide - 1721836 - - Glu-Ala-His - 91218570 - - MC-3761 - 443063 - - 1-Hexadecanoyl-2-eicosanoyl-sn-glycero-3-phosphoserine - 9547095 HMDB0112345 - N-decanoylglycine - 1712391 HMDB0013267 - Gln-Gln-Ile - 145455038 - - 5-Amino-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile - 161569 HMDB0245728 - 1-Cyclopropyl-6-fluoro-1,2,3-benzotriazole - 70699725 - - 3-Bromo-6-fluoro-2-(trifluoromethyl)quinolin-4-ol - 46739187 - - Shancigusin D - 42642928 - - 1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol) - 52928391 HMDB0009798 - [(Z)-[2-(4-hydroxyphenyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate - 6326026 - - 3,6,7-Trihydroxy-9-oxoxanthen-1-olate - 25201612 - - Benzenediazonium - 9718 - C20284 N-hydroxy-L-isoleucinate - 49852349 - - 4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-YN-2-OL - 46739815 - - N-(4-methylphenyl)quinolin-4-amine - 4564656 - - Tetrazole-5-acetohydrazide - 55281807 - - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,3-dihydroxypropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131835014 HMDB0128715 - Gln-Leu-Asn-Arg - - - - (31R)-8,12-diethylbacteriochlorophyllide d - 122706241 - - Chloromethyltriphenylphosphonium - 197824 - - Gly-Asn-Phe - 9858975 - - (1S,4R,5R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-ol - 16216866 - - Cys-Phe-Phe - 101732670 - - Ethyl 3-Indoleacetate - 13067 HMDB0304946 - 4-Methoxybutyrfentanyl - 118796493 - - (2R,3S)-2-{[(1Z)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino}-3-hydroxybutanoic acid - 135515359 HMDB0033442 - 9-Methylthiononanaldoxime - 25010752 - C17253 Tyr-Val-Arg-Pro-Leu - - - - 3-Hexadecyl-4-methoxy-5-methyloxolan-2-one - 23872036 - - Asn-Pro-Tyr - 54325058 - - Isofenphos-des-N-isopropyl - 13326422 - - gamma-L-Glutamyl-L-pipecolic acid - 69247902 HMDB0038614 - N-[2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylformamide - 5317376 - - [1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid - 131835644 HMDB0129394 - His-Glu-Tyr - 137631937 - - 1,8-Bis(4-hydroxybenzyl)-4-methoxyphenanthrene-2,7-diol - 14863079 - - (2R)-2-azaniumyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)propanoate - 86289933 - - 2'-Deoxyuridine-5'-triphosphate - 25244408 - - 3abeta,4,5,5a,6,7,8,9,9aalpha,9bbeta-Decahydro-8beta,9alpha-dihydroxy-3alpha,5abeta,9-trimethylnaphtho[1,2-b]furan-2(3H)-one - 12016126 - - 4-tert-butyl-N-[2-(1H-imidazol-4-yl)ethyl]benzamide - 19589945 - - 6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131835029 HMDB0128730 - Quercetin 3-sulfate - 5280362 HMDB0303771 C00616 Pgp(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 53481832 HMDB0013514 C00344 Ergosteryl oleate - 25271616 - - (Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-(1,3-dihydroxypropan-2-yl)hept-5-enamide - 127054496 - - PC(15:0/18:4(6Z,9Z,12Z,15Z)) - 52922318 HMDB0007943 C00157 1-(1-(4-Fluorophenyl)-1H-pyrazol-4-yl)ethanamine - 16640665 - - 2-Chloro-6-methylquinoline - 77974 - - Neomycin A - 70678629 - - Pipercitine - 12575258 HMDB0039937 - Mipafox - 9738 HMDB0254744 C19008 Pro-Val-Thr - 9901447 - - (1R,2R)-1,2,7,7-Tetramethylbicyclo[2.2.1]heptan-2-ol - 16913 HMDB0035417 - Ribosyl hopane - 90658568 - - Chromopyrrolate - 45479433 - - Lauroyl peroxide - 7773 HMDB0253994 C19438 PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 53479213 HMDB0008583 C00157 PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 131822087 HMDB0115293 - Myxochelin B - 10873133 - C12221 13-[O(2')-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]docosanoate - 25200914 - - 3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole - 1787 - C06494 (2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid - 440848 HMDB0001180 C05932 N-Cyclohexylformamide - 13017 HMDB0255105 C11519 2,4,7,9-Tetramethyl-5-decyne-4,7-diol - 31362 HMDB0245484 - trans-zeatin-O-glucoside-7-N-glucoside - 25245008 - - 6-{[(16S)-5,7-dihydroxy-8,8,12,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-10-methylidene-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131833937 HMDB0127599 - L-Agaridoxin - 131750870 HMDB0029445 - 3'-N-Debenzoyl-2'-deoxytaxol - 24892787 - - N-[2-(1H-indol-3-yl)ethyl]benzamide - 684658 - - 2,4-Dihydroxy-3,5-dimethoxybenzoic acid - 126503753 HMDB0135756 - Phosphonatoformaldehyde - 23002186 - - 1-hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycerol 3-(2-trimethylaminoethylphosphonate) - 5282289 - C00157 Pgp(16:0/20:3(5Z,8Z,11Z)) - 53481800 HMDB0013480 C00344 SM(d18:0/22:3(10Z,13Z,16Z)) - 53481789 HMDB0013468 C00550 Glutaminylthreonyllysine - 18220826 - - Lemairamide - 9468490 - - [1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate - 71694443 - - 1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate - 52928791 HMDB0114845 - Cis-stilbene oxide - 98511 HMDB0059631 C16014 1-(9Z,12Z-octadecadienoyl)-2-pentadecanoyl-glycero-3-phosphoserine - 52925454 HMDB0112425 - Stebisimine - 3083913 - - [(1R,4R,5S,8S,10R,13R,14S,17R,20R,21S,22R)-5,9,9,13,14,17,21-heptamethyl-24-oxo-23-oxahexacyclo[18.2.2.01,14.04,13.05,10.017,22]tetracos-2-en-8-yl] acetate - 636800 - - Gephyromycin - 11303332 - - 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid - 131832009 HMDB0125507 - 8-Epidermal glycoside - 13821 - C11656 5-chloro-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one - 29975741 - - N'-phosphoguanidinoethyl methyl hydrogen phosphate - 440365 - C04503 PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52924633 HMDB0009375 C00350 (1,3)-beta-Xylotetraose - 52940205 - - [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] heptadecanoate - 131821859 HMDB0114774 - 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid - 9838731 HMDB0028884 - PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) - 53479907 HMDB0009611 C00350 OVA peptide (257-264) - 22134157 - - 4-hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-3,5-diene-1,2-dione - 5280837 - - Protopanaxadiol 3-glucoside 20-[arabinosyl-(1->2)-glucoside] - 85263166 HMDB0035494 - diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium - 46173494 - - ({6-[(4,5-dihydroxy-2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-5H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium - 131831649 HMDB0125109 - 1-Tert-butyl-3-(3-fluorophenyl)thiourea - 887060 - - N-Acetyl-leu-leu-leu-leu-tyr-amide - 443107 - C11295 (4R)-4-[(E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one - 124355671 - - 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone - 67261902 HMDB0037298 - N-(3-methylphenyl)quinazolin-4-amine - 659954 - - PE(20:1(11Z)/22:2(13Z,16Z)) - 52924569 HMDB0009272 C00350 (3R,6S)-2,6-Dimethyl-6-(beta-D-glucopyranosyloxy)-7-octene-2,3-diol - 10893488 - - Acylsucrose S4:17[2](2,5,5,5) - 91669255 - - Ile-Val-Leu - 9906116 - - [6,10a-Dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-][1]benzouran-5-yl] acetate - 45360322 - - 2,2'-Dihydroxyastaxanthin - 91820484 - - Rhizobitoxine(1+) - 129320463 - - 3-Nonaprenyl-4,5-dihydroxybenzoate - 54738024 - - Ncgc00380781-01_C15H20N2O5_ - 75528942 - - (1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate - 25200989 - - 1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol - 5282285 - C00641 Stellariose - 25157272 - - (7r)-4,7-Dihydroxy-N,N,N-Trimethyl-10-Oxo-3,5,9-Trioxa-4-Phosphaheptacosan-1-Aminium 4-Oxide - 497300 HMDB0094688 C00157 UDP-6-sulfoquinovose(3-) - 25200933 - - Farnesyl-5,7-dihydroxy-4,6-dimethylphthalide - 91819848 - - 3,4,5-trihydroxy-6-[3-[(E)-2-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-2-carboxylic acid - 131837860 HMDB0134114 - Ustin - 20056625 - - 2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate - 46942369 - C20247 5-[3-(Difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine - 28973956 - - 4-(2-Amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside - 10948689 HMDB0062374 - 6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one - 131668291 - - PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 52922927 HMDB0008248 C00157 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine - 440435 - C04674 Glycochenodeoxycholic acid 3-glucuronide - 44263370 HMDB0002579 - N-Methylpyridinium - 13597 HMDB0240545 C02724 [(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid - 131837530 HMDB0133689 - Asparagylasparagylarginine - 18219008 - - Oxymetazoline hydrochloride - 66259 - - Apica - 71308155 - - methylsalicyl-GXG - 102470202 - - (S)-N-Methylcanadine - 439844 - C02915 Phosphonic acid dilauryl ester - 88863 - - NCGC00385297-01_C34H41NO16_(1S,3R,13S,14S,17S,18R,19R,20S,21S,23R,24R,25S)-20-(Acetoxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,12~]pentacosa-7,9,11-triene-19,21,24-triyl triacetate - 60208900 - - Ala-Pro-Leu - 7408512 - - Asp-Leu-Lys - 9799712 - - Asp-His-Tyr - 145454457 - - Pentacarboxyl porphyrinogen III - 21252264 HMDB0001957 - omega-Sulfo-beta-dihydromenaquinone-9 - 102515043 - - [3-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate - 131839233 HMDB0135728 - 3,4,5-trihydroxy-6-[2-hydroxy-3,4-dimethoxy-5-(3-oxoprop-1-en-1-yl)phenoxy]oxane-2-carboxylic acid - 131834993 HMDB0128694 - [(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] decanoate - 124222394 HMDB0115482 - Protodeoxyviolaceinic acid - 90657760 - C21131 CL(8:0/8:0/8:0/13:0) - 131823411 HMDB0116802 C05980 lipid X(2-) - 25244842 - - NCGC00347837-02_C42H58N8O7_1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-15-(1-methylethyl)-9-(2-methylpropyl)-12-(1-phenylethyl)- - 45782868 - - 2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid - 131837154 HMDB0133208 - 6-[2-(3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl)ethyl]-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepine-3,4,6-triol - 128964461 - - 8-Cysteinylglycinyl-7,17-Dihydroxydocosahexaenoic Acid - 132472321 - - 5alpha-Oleana-9(11),12-diene-3-one - 21594103 - - (2R)-2,4-bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane - 71684445 - - (3S,7R)-5,6-dehydro-de-O-methyl-centrolobine - 10780267 - - N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylpropyl]acetamide - 51136278 - - N-[2-[(2S,3R)-2-acetamido-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide - 10643865 - - octanoate - 119389 HMDB0304443 - 1-(1Z-hexadecenyl)-2-pentadecanoyl-glycero-3-phosphoethanolamine - 52925044 HMDB0011337 C00350 Malvidin 3-rutinoside - 44256981 HMDB0041595 - Tyr-Phe-Thr-Lys - - - - oxalicine B - 21593946 - - Leu-Val - 6993115 HMDB0029131 - (2S)-2-[[(2R,3R)-3-azaniumyl-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate - 40427325 - - 3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate - 44355849 HMDB0001894 - Simvastatin - - - D00434 Osimertinib mesylate - 78357807 - - 4R-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1S-methanol - 6328608 HMDB0015182 - Asparagylcysteine - 18218178 HMDB0028728 - L-Histidine,L-lysyl- - 14208651 HMDB0028953 - 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic Acid - 4198036 HMDB0028702 - Niraparib tosylate - 78357761 - - 4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate - 25244962 HMDB0014405 - Tyr-Trp - 7021831 - - Sinapine - - - C00933 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline - 2550 HMDB0247169 - Trp-Pro - 11863652 HMDB0029091 - (10S,13S,16S,1R,9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0<1,9 >.0<2,7>.0<10,15>.0<12,17>]nonadeca-2,4,6-triene-14,18-diol - 15559810 - - Ozanimod - 52938427 - - Protopine - 4970 - C05189 Arginine Hydrochloride - 66250 HMDB0303361 - Asn-Ala-Leu-Ala-His - - - - Val-Asn-His-Val-Thr - - - - Arg-Lys-His-Arg - - - - Ile-Phe-Arg-Lys - - - - Ala-Phe-Gln-Lys - - - - Arg-Asp-Leu-Tyr-Ser - - - - Kalkitoxin thioamide alcohol - - - - Leu-Ile - 7010533 - - Lys-Val-Tyr-Lys - - - - Lys-Ile-Val-Lys - - - - Asn-Asn-Leu-Asn-Val - - - - 8-iso Prostaglandin F2d4 - - - - Arg-Val-Tyr-Phe-Phe - - - - Phe-Gln-Thr-Lys - - - - Arg-Ile-Ala-Glu-Glu - - - - Imidiocarb - - - - -JWH 073 N-(3-hydroxybutyl) metabolite-d5 - - - - Ala-Glu-Ala-Leu-Glu - - - - Val-Leu-Asp-Phe-Glu - - - - Leu-Thr-Ser-Lys-Tyr - - - - Spinorphin - 3081832 HMDB0059790 - Arg-Arg-Lys-Ser-His - - - - Phe-Gln-Asp-Arg - - - - Ala-Glu-Phe-His-Phe - - - - Phe-Leu-Val-Met-Met - - - - Phe-Val-Lys-Lys - - - - Ala-Val-His-Val-Lys - - - - Ile-His-Val-Leu-Glu - - - - Phe-Val-Ser-Glu-Ala - - - - Val-Pro-Glu-Pro-Lys - - - - Lys-Asn-Gly-Ser-Leu - - - - Lys-His-Ile-Glu-Glu - - - - Pro-Pro-His - - - - Leu-Thr-Pro-Asp-Ala - - - - Pro-Tyr-Ala-Tyr-Asp - - - - Val-Asp-Leu-Arg - - - - Ile-Pro-Ala-Asp-Val - - - - Leu-Ala-Arg-Glu - - - - 15-keto-17-phenyl trinor Prostaglandin F2 ethyl amide - - - - Ile-Tyr-Lys-Ile-Arg - - - - Val-Arg-Ala-Asp-Leu - - - - Phe-Leu-Glu-Lys-Asp - - - - Arg-Glu-Ser-Leu-Glu - - - - Asn-Gly-Glu-Val-Lys - - - - Ala-Leu-Val-Lys-Ala - - - - Phe-Ile-Val-Gly-Asp - - - - Thr-Phe-Leu-Thr-Gln - - - - Val-Ser-Gly-Pro-Glu - - - - Asn-Val-Phe-Lys - - - - Tumonoic acid I - 25058102 - - Arg-Val-Ser-Leu-Asp - - - - Thr-Leu-Lys-Lys - - - - Pro-Val-Ala-Glu-Val - - - - Pro-Gln-Gln-Asp-Glu - - - - Ala-Gly-Pro-His-Lys - - - - Asn-His-Ile-Arg - - - - Ile-Ala-Leu-Arg - - - - (24S)-Cholest-5-ene-3beta,7alpha,24-triol - 11954196 HMDB0060136 C15518 Lys-Tyr-Thr-Ser-Ser - - - - Met-Ala-Lys-Lys-Asp - - - - Asp-Arg-Gln-Arg - - - - Pro-His-Phe-Asp-Lys - - - - Arg-Tyr-Gln-Lys - - - - Lys-Phe-Arg-Lys - - - - Asp-Glu-Leu-Asn-Gln - - - - Thr-His-Tyr-Arg - - - - Val-Met-Met-Val-Arg - - - - Thr-Lys-Phe-Ser-Val - - - - Ala-Pro-Asp-Ala-Lys - - - - 17(S),18(R)-EETeTr - 27076755 HMDB0010212 - Thr-Arg-Gln-Glu - - - - Pro-Asn-Gln-Met-Ser - - - - Tumonoic acid A - 10854587 - - Cymathere lactone - - - - Leu-Ser-Glu-Lys-Tyr - - - - NH-DVal(NMe)-Val-OMe - - - - Arg-Thr-Leu-Glu - - - - -CP 47,497-d11 - - - - Arg-Lys-Asp-Lys-Glu - - - - Val-His-Phe-Glu - - - - Tyr-Ile - 7019109 - - Val-Tyr-Lys-Val-Leu - - - - Phe-Tyr-Val-Lys - - - - Ala-Asn-Lys-Glu-Asn - - - - 9-Oxo-11alpha,16-dihydroxy-16-methylprost-13E-en-1-oic acid - 59951373 - - Phe-Thr-Asn-Lys - - - - Val-Ser-Ser-Ser-Leu - - - - Thr-Pro-Thr-Glu-Lys - - - - N-phenethyltridecanamide - - - - Arg-Phe-Asn-Ala-His - - - - Thr-Pro-Pro-Val-Gln - - - - Ile-Thr-Tyr-Asp - - - - Asn-Leu-Lys-Asp - - - - Leu-Ser-Leu-Glu-Glu - - - - Val-Pro-Glu-Lys-Lys - - - - Lys-Lys-Lys-Gln-Tyr - - - - Ile-Thr-Val-Lys-Leu - - - - Tyr-Val-Tyr-Lys-Val - - - - Arg-His-Gln-Arg - - - - Asp-His-Asn - - - - Pro-Gly-Met-Ile-Lys - - - - Leu-Asp-Gln-Gln-Val - - - - Thr-Val-Glu-Thr-Trp - - - - Arg-His-Asn-Lys - - - - Phe-Val-Arg-Arg - - - - Val-Thr-Pro-Tyr-Met - - - - Lys-Ser-Thr-Arg-Gly - - - - Antillatoxin B(red color) - - - - Asp-Val-Asn-His-Phe - - - - Asp-Asn-Phe-Lys-Ala - - - - Asp-Val-Glu - 10215609 - - His-Val-Thr-Glu-Glu - - - - Ala-Lys-Gly-Arg-Val - - - - Tetranor-12(S)-hete - 91886153 HMDB0060055 - Lys-Asn-Arg-Glu - - - - Asp-Tyr-Asn-Leu-Leu - - - - Arg-Ala-Glu-Lys - - - - Phe-Gln-Arg-Lys - - - - 8(9)-EET methyl ester - 163323624 - - Ser-Pro-Thr-Phe-Leu - - - - Val-Leu-Leu-Ser-Cys - - - - Ala-Leu-Val-Arg - - - - (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate - 5284600 HMDB0015215 - Ala-His-Leu-Asp - - - - Leu-Glu-Ala-Ile-Asn - - - - Leu-Arg-Lys-Arg - - - - Pro-Pro-Asp-Gln-Gln - - - - Carbaprostacyclin-biotin - - - - Ala-Asn-Lys-Glu-Lys - - - - Lys-Asp-Leu-Ser-Leu - - - - Arg-Thr-Lys-Arg - - - - Phe-Tyr-Lys-Arg - - - - Val-Tyr-Gln-His-Val - - - - Lys-Tyr-Ile-Glu - - - - Arg-Thr-Ala-Arg - - - - Ile-His-Arg-Arg - - - - Ile-Leu-Asn-Asp - - - - 3-HYDROXY-3-DEOXYANGOLENSIC ACID METHYL ESTER - - - - Val-Arg-Gln-Val-Asp - - - - 17-phenyl trinor Prostaglandin E2 serinol amide - - - - Abu-Nap-OH - - - - (4-Ethylnaphthalen-1-yl)[1-(5-fluoropentyl)-1H-indol-3-yl]methanone - 71308187 - - Leu-Nap-OH - - - - His-Val-Arg-Asp - - - - Lys-Phe-Lys-Met-Lys - - - - Leu-Phe-Asn-Asp - - - - Thr-Val-Thr-Phe-Tyr - - - - Ile-Glu-Val-Asp-Leu - - - - Leu-Ser-Leu-Pro-Glu - - - - Leu-Arg-Asp-Leu-Tyr - - - - Ile-Lys-Gly-Lys-Leu - - - - Val-Leu-Lys-Asp-Ser - - - - Lys-Ala-Leu-Glu - - - - Thr-Val-Leu-Thr-Ser - - - - Lys-Met-Val-Ser-Arg - - - - Ala-His-Thr-Lys - - - - Phe-Asp-Gly-Gly-Val - - - - Ile-Glu-Tyr-Cys-Lys - - - - Ile-Lys-Arg-Asp-Phe - - - - Asn-Abu-OH - 134826306 - - Leu-Ser-Ala-Leu-Glu - - - - Tyr-Asn-Val-Lys - - - - PGF2 dimethyl amine - - - - Diacetyl-8-gingerdiol - - - - TyrMe-His-OH - - - - Ile-Phe-Thr-Asp-Gln - - - - Pro-Pro-Asp - - - - Asp-Ser-Val-Ile-Ser - - - - Ile-Arg-Lys-Arg - - - - DHOAA(AcO)-Val-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe - - - - Lys-Arg-His-Asp - - - - Oleyloxyethyl Phosphorylcholine - 21668182 - - Boc-Pro-Phe(NMe)-Gly-OMe - - - - Pro-Lys-Ile-Val-Lys - - - - Lys-Ser-Thr-Leu-Thr - - - - Isoleucylleucine - 13817313 HMDB0028911 - Thr-Lys-Met-Val-Glu - - - - Stigmasta-4,22-dien-3-one - 6442194 HMDB0302659 - Lys-Asp-Leu-Glu - - - - Pregnan-20-one,17-(acetyloxy)-3-hydroxy-6-methyl-,(3b,5b,6a)- - 101598598 - - Ala-Gly-Leu-Val-Ser - - - - Arg-Glu-Lys-Asp-Lys - - - - (6E,8E,10E,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid - 91746140 HMDB0005088 - Lys-Tyr-Thr-Arg - - - - 17-phenyl trinor PGF2 cyclohexyl amide - - - - Lys-Thr-Ile-Thr-Leu - - - - Leu-Gly-Gly-His-Leu - - - - Ile-Gln-Ser-Glu - - - - Leu-Glu-Phe-Glu - - - - Asn-Leu-Pro-Ile-Asn - - - - Lys-Ser-Phe-Glu - - - - Ser-His-Val-Lys - - - - Ser-Asn-Thr-Ile-Leu - - - - Val-Asn-Phe-Asp - - - - 14(15)-EET-d11 - - - - His-Val-Ile-Arg - - - - Ser-His-Thr-Arg - - - - Asp-Lys-Arg-Glu-Lys - - - - Tetranor-12R-HETE - 5282970 - - Thr-Glu-Lys-Asp-Glu - - - - Phe-Leu-Lys-Asp - - - - Leu-Lys-Ala-Val-Val - - - - Lys-Leu-His-Val-Asp - - - - Phe-Leu-Leu-Val-Phe - - - - 2-(2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE(WB 4101) - - - - Tumonoic acid F - 25058103 - - 3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione - 86242667 HMDB0034889 - Tyr-Leu-Pro-Ala-Val - - - - Arg-Ile-Val-Leu-Val - - - - Gal1-4[Fuc1-3]GlcNAcSp - - - - Val-Val-Asn-Trp-Asp - - - - Asn-Tyr-Arg-Asp - - - - Val-Nap-OH - - - - Val-Asn-Asp-Lys - - - - Phe-Leu-Asp-Lys - - - - Lys-Ile-Asn-Glu - - - - Arg-Thr-Leu-Ser-Asp - - - - Ala-Leu-Gly-Ile-Ser - - - - Diacetyl-10-gingerdiol - - - - Arg-Ile-Glu-Asp - - - - Ala-Phe-His-Lys - - - - Lys-Val-Val-Ala-Gly - - - - Leu-Glu-Lys-Glu - - - - Arg-Ser-Val-Glu - - - - Leu-Leu-Val-Val-Tyr - - - - Lys-Lys-Asn-Pro-Gln - - - - Thr-Leu-Tyr-Val-Gly - - - - Leu-Glu-Val-Val-Lys - - - - JWH 018 N-(5-hydroxypentyl) metabolite-d5 - - - - Val-Tyr-Glu-Lys - - - - Thr-Gln-Leu-Lys - - - - Linoleic Acid-biotin - - - - Gly-Pro-Ala - 7276370 - - Ile-Arg-Ile-Ile-Val - - - - Val-Leu-Ser-Pro-Ala - - - - Ala-Gln-Glu-Val-His - - - - Ile-Val-Lys-Arg-Lys - - - - Arg-Glu-Ala-Phe-Arg - - - - Leu-Gly-Ala-Pro-Gly - - - - HoPhe-TyrMe-OH - - - - Leu-Tyr - 273262 HMDB0028941 - Leu-Ala-Met-Glu-Arg - - - - Thr-Arg-Gly-Glu-Val - - - - Trp-Leu - 6997509 HMDB0029087 - Ser-Gln-Asp-Val-Ser - - - - Ile-Gly-Lys-Ile-Phe - - - - DIHYDRO--TUBAIC ACID - - - - Met-Gln-Pro-Arg-Val - - - - Leu-Val-Thr-Leu-Ala - - - - Lys-Asp-Pro-Ala-Asp - - - - Ser-Ser-Gly-Arg-Ser - - - - Arg-Gln-Tyr-Lys - - - - Arg-Glu-Arg-Val-Tyr - - - - Arg-Tyr-Asn-Glu - - - - Nap-Nap-OH - - - - Lys-Asn-Ser-Asp - - - - Arg-Leu-Leu-Pro-Ala - - - - Asp-Asp-Asn-Arg-Glu - - - - Val-Gln-Phe-Asp - - - - Arg-Ile-Thr-Glu-Ala - - - - Asp-Cys-Arg-Val-Ser - - - - Thr-Tyr-Asp-Gly-Phe - - - - Ile-Thr-Ser-Arg-Glu - - - - Thr-Cys-Tyr-Thr-Tyr - - - - Arg-Tyr-Val-Lys - - - - Val-Arg-Glu-Glu - - - - Ala-Ala-Leu-Arg-Ala - - - - Thr Tyr - 67035959 - - 17-phenoxy trinor Prostaglandin F2 isopropyl ester - - - - 13-OxoODE - 6446027 HMDB0004668 C14765 HPF - - - - Val-Ala-Phe-Asp - - - - HoPhe-Lys-OH - - - - 1-O-Hexadecyl-2-deoxy-2-thio-R-(heptanoyl)-sn-glyceryl-3-phosphocholine - 57347573 - - Leu-Leu-Ser-Pro-Tyr - - - - Ser-Glu-Lys-Ile-Asp - - - - Val-Thr-Phe-Glu-Ser - - - - Ala-Thr-Ile-Lys - - - - Phe-Leu-Gln-Lys - - - - Lys-Leu-Thr-Ala-Ala - - - - 1-Stearoyl-2-Oleoyl-sn-Glycero-3-[Phospho-rac-(1-glycerol)] - - - - Boc-Pro-DVal(NMe)-Val-OMe - - - - Ile-Glu-Arg-Asp-Phe - - - - Lys-Val-Asn-Glu - - - - (3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone - 3725594 HMDB0039042 - Ser-His-Phe-Lys - - - - Lys-Asn-Lys-Glu-Ser - - - - Pro-Tyr-Pro-Arg-Ser - - - - Leu-Gln-Lys-Ser-Leu - - - - Leu-Asn-Ile-Leu-Thr - - - - Asp-Ile-Tyr-Asp - - - - Leu-Thr-Phe-Gln-Met - - - - Lys-Ile-Glu-Arg - - - - Asp-Thr-Gln-Arg - - - - 7-[3-(Dimethylamino)propoxy]-6-Methoxy-2-(4-Methyl-1,4-Diazepan-1-Yl)-N-(1-Methylpiperidin-4-Yl)quinazolin-4-Amine - 44251522 - - Asn-Val-Lys-Ala-Lys - - - - Ser-Leu-Ser-Gly-Leu - - - - Stigmastan-3,5-diene - 525918 - - 17-phenyl trinor PGF2 diethyl amide - - - - Methylcarbamyl PAF C-8 - - - - Leu-Val-Leu-Gly-Phe - - - - Val-Ile-Val-Leu-Leu - - - - 1-NBD-decanoyl-2-decanoyl-sn-Glycerol - - - - Arg-Leu-Asn-Asp-Phe - - - - dimethyl(R)-pyrrolidine-1,2-dicarboxylate - - - - Asp-Ser-Glu-Glu-Glu - - - - Abu-TyrMe-OH - - - - Acylated phloroglucinol - - - - Asp-Thr-Val-Thr-Phe - - - - Abu-Abu-OH - - - - (10R,13S,17S)-10,13-Dimethyl-3,6-dioxo-2,3,6,7,8,9,10, 11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate - 52224351 - - Lys-Asp-Met-Thr-Cys - - - - Asp-Leu-Ser-Glu - - - - 17hydroxy Wortmannin - - - - NCGC00386087-01_C43H60N2O12_(2S)-N-[(2E,4E,6S,7R)-7-{(3S,4R)-3,4-Dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-2-furanyl}-6-methoxy-5-methyl-2,4-octadien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-1,3-pentadien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide - 135871572 HMDB0030465 - Leu-Leu-Val-Val-Ala - - - - -UR-144 N-(4-hydroxypentyl) metabolite - - - - 3-DEOXO-3-ACETOXYDEOXYDIHYDROGEDUNIN - - - - Ser-Ile-Lys-Gly-Lys - - - - (4E,9E)-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradeca-4,13-dienamide - 49787033 - C18214 His-Nap-OH - - - - Ser-Arg-Ala-Val-Cys - - - - Ser-Arg-Glu-Val-Ser - - - - 18-AMINOABIETA-8,11,13-TRIENE - - - - Val-Glu-Tyr-His-Gln - - - - Ala-Pro-Ala-Pro-Lys - - - - Lys-Glu-Ser-Thr-Leu - - - - Arg-Asp-His-Asp - - - - Asp-Gln-Leu-Thr-Glu - - - - Asp-Ile-Lys-Glu-Met - - - - Val-Asp-Tyr-Val-Leu - - - - Val-Asp-Gly-Thr-Ile - - - - His-TyrMe-OH - - - - Phe4Cl-Abu-OH - - - - Laurencione diacetate - - - - (2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate - - - - Trp-HoPhe-OH - - - - Leu-Tyr-Arg-Ile-Thr - - - - 1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine - 2504 - C00157 Ile-Val-Lys-Trp-Asp - - - - Ile-Leu-Ala-Asp - - - - Val-Ile-Pro-Lys-Ser - - - - Phe-Glu-Ser-Phe-Gly - - - - Ala-Glu-Lys-Ala - - - - Phe-Gln-Phe-Phe-Lys - - - - Thr-Tyr-Asp-Arg-Asn - - - - Lys-Gln-Ser-Glu - - - - 17-trans PGF3 - - - - Arg-Val-Ile-Trp-Gly - - - - 6-Cyano-7-nitroquinoxaline-2,3-dione - 3721046 HMDB0250384 C13668 Prostaglandin F2-biotin - - - - -JWH 018 N-(4-hydroxypentyl) metabolite-d5 - - - - Nap-Lys-OH - - - - Ile-Nap-OH - - - - Lys-Leu-Thr-Asp-Glu - - - - 12,13-DiHOME-d4 - 162641641 - - Phe-Ser-Gly-Thr-Trp - - - - Pro-His-Asn - - - - alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc - 11813424 - - Thr-Leu-Pro-Pro-Gly - - - - Leu-His-Gly-Phe-His - - - - Pro-Ala-Asp-Lys-Thr - - - - Ser-Arg-Tyr-Glu - - - - N-Arachidonoyl-3-hydroxy-Aminobutyric Acid - - - - Pro-Asp-Asp - - - - Phe-Arg-Leu-Phe-Leu - - - - Asn-Asn-Asn - - - - Val-Val-Val-Gly-Gly - - - - Leu-Ile-Thr-Arg - - - - Asn-His-Lys-Asp - - - - Lys-Phe-Val-Leu-Val - - - - Arg-Ile-Arg-Val-Met - - - - Pro-Lys-Lys-Val-Gly - - - - Val-Thr-Pro-Gly-Gly - - - - Leu-Leu-Asp-Leu-Leu - - - - Arg-Thr-Asp-Arg - - - - Lys-Gln-His-Lys - - - - Phe-Leu-Val-Gly-Gly - - - - Medica 16 - 121871 HMDB0254402 - Asn-HoPhe-OH - - - - Pro-Tyr-Met-Ile-Phe - - - - Ser-Tyr-Tyr-Gln-Ser - - - - Val-Leu-Ala-Leu-Leu - - - - Asn-Ser-Lys-Ile-Val - - - - 17-Ketostypolhydroperoxide - - - - 2,3-dinor-6-keto Prostaglandin F1d9 - - - - TyrMe-HoPhe-OH - - - - TyrMe-Phe4Cl-OH - - - - Asn-Ser - 71423722 - - Val-Asn-Tyr-Val-Asn - - - - Asp-Pro-Asn - - - - 6Testosterone Enanthate - - - - (9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid - 25320858 HMDB0004704 - Ser-Leu-Arg-Leu-Asp - - - - Thr-Asp-Asn-Asp - - - - Methyl diacetoxy-8-gingerdiol - - - - 9,10-DiHOME-d4 - 126456327 - - Pro-Asn-His - - - - Ile-Ser-Gly-Ala-Ser - - - - Phe-Ile-Asp-Leu-Asn - - - - Asp-Glu-Ile-Asp - - - - Ile-Val-Leu-Glu - - - - Tyr-Gln-Asn-Glu - - - - (1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane - 118701435 - C10777 Asp-His-Leu-Asp - - - - TyrMe-Gly-OH - - - - (E)-1,2-bis(6-methoxyquinolin-4-yl)ethene - - - - Val-Tyr-Lys-Gly-Gly - - - - Androsterone Enanthate - - - - Tumonoic acid E - 25058107 - - Lys-Asn-Leu-Tyr-Thr - - - - TyrMe-Met-OH - - - - Ala-Val-Val-Pro-Leu - - - - Gal1-3[Fuc1-4]GlcNAcSp - - - - Leu-Val-Ala-Glu - - - - Ile-Val-Glu-Lys-Tyr - - - - Leu-Ile-His-Arg - - - - Asp-HoPhe-OH - - - - Arg-Leu-Arg-Glu-Lys - - - - PtdIns-(3,4)-P2(1,2-dihexanoyl) - 57347691 - - Ser-Pro-Glu-Gly-Thr - - - - Leu-Ile-Glu-Glu - - - - 17-phenyl trinor Prostaglandin F2 serinol amide - - - - (3S,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol - 6708529 - - 9-Oxo-11-(3-pentyloxiran-2-YL)undec-10-enoic acid - 53394018 HMDB0246689 - Ile-Thr-Gln-Lys - - - - 4-DHEA enanthate - - - - Gal1-3Gal1-3GlcNAcSp - - - - 5-Cholestane-3-ol - - - - Methyl diacetoxy-10-gingerdiol - - - - 3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid - 15559097 HMDB0034962 - Leucylvaline - 352038 HMDB0028942 - 15(R),19(R)-hydroxy PGF2 - - - - Pro-Phe-Ala-Thr-Glu - - - - Ser-Leu-Val-Ser-Asp - - - - HoPhe-Asp-OH - - - - Val-Leu-Thr-Gly-Ser - - - - Asp-Thr-Gly-Thr-Ile - - - - Ile-Leu-Ala-Ile-Val - - - - Val-Thr-Leu-Asp-Met - - - - Phe4Cl-TyrMe-OH - - - - Microcolin C - 145740432 - - Latanoprost-d4 - 137833616 - - Asp-Lys-Leu-Gly-Glu - - - - PGF2 serinol amide - - - - Lys-Phe4Cl-OH - - - - Valylalanylarginine - 18232214 - - Thr-TyrMe-OH - - - - CP47497 C7-Hydroxy metabolite - - - - Val-Leu-Leu-Val-Val - - - - Lys-Tyr-Tyr-Arg-Val - - - - Gal1-3GlcNAcSp - - - - Leu-Leu-Leu-Pro-Gly - - - - 15-keto Latanoprost(free acid) - 57370010 - - Thr-Thr - 11321969 HMDB0029071 - 8,9-EE-14(Z)-E - - - - (1'S,5'S)-averufin - 21121390 - C20574 TG(14:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131758745 HMDB0047904 C00422 [(2S)-2,3-di(pentadecanoyloxy)propyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate - 131754150 HMDB0043016 C00422 TG(15:0/14:1(9Z)/15:0) - 131754291 HMDB0043163 C00422 TG(14:0/14:1(9Z)/18:3(6Z,9Z,12Z)) - 131753429 HMDB0042287 C00422 [(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] 20-methylhenicosanoate - 131802690 HMDB0094219 C00641 9,10-Epoxy-18-hydroxy-octadecanoic acid - 9818312 HMDB0302107 C19620 (3S,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one - 23724583 - - (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid - 5459797 - C04834 DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0) - 53478122 HMDB0007280 C00641 [(2S)-2-hexadecanoyloxy-3-pentadecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate - 131754167 HMDB0043033 C00422 2-[(1Z,3E)-5-carboxy-1-hydroxy-5-oxopenta-1,3-dienyl]benzoic acid - 23724683 - - (3S,5S,6S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol - 23724580 - - 8-Ethyl-12-methylbacteriochlorophyllide d - 124201679 - C21431 (3R)-6-Hydroxy-3-isopropenyl-heptanoate - 443171 - C11417 TG(15:0/14:1(9Z)/14:1(9Z)) - 56936607 HMDB0043169 C00422 (3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one - 131751674 HMDB0035144 - TG(14:1(9Z)/15:0/14:1(9Z)) - 131758589 HMDB0047747 C00422 1-Erucoyl-2-eicosenoyl-sn-glycerol - 53478395 HMDB0007630 C00641 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) - 131765759 HMDB0055226 C00422 [(1R,16E,27Z,29Z)-1-hydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10,14,20-pentaoxo-11,25,37-trioxa-4-azatetracyclo[31.3.1.0(2),(2)]heptatriaconta-16,27,29-trien-18-yl]oxidanesulfonic acid - - HMDB0127707 - TG(16:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) - 131755227 HMDB0044159 C00422 TG(15:0/14:1(9Z)/16:0) - 131754292 HMDB0043164 C00422 27-Deoxy-5alpha-cyprinol - 140 HMDB0029851 - DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) - 53478109 HMDB0007264 C00641 MAG(16:1) - 53480976 HMDB0011565 C01885 5S,8R-DiHODE - 25755602 - C20186 TG(20:0/a-15:0/10:0) - 131770759 HMDB0063088 C00422 gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine - 49787003 HMDB0010716 C05695 (3R,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one - 23724585 HMDB0034423 - [(2S)-2-heptadecanoyloxy-3-hydroxypropyl] docosanoate - 131802811 HMDB0094462 C00641 16,17-Dihydro-16a,17-dihydroxygibberellin A7 17-glucoside - 131752883 HMDB0040649 - Schleicherastatin 5 - 11797567 HMDB0035804 - TG(15:0/14:1(9Z)/18:1(11Z)) - 131754298 HMDB0043171 C00422 (3S,5S,8S,9S,10R,13S,17R)-3-hydroxy-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one - 23724582 - - DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) - 53478378 HMDB0007607 C00641 (3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one - 23724581 - - TG(15:0/14:1(9Z)/18:2(9Z,12Z)) - 131754304 HMDB0043177 C00422 (2R,3R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid - 21121421 HMDB0036639 - [(2S)-2-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate - 131763662 HMDB0053011 C00422 1-Hydroxyoct-4-enoylglycine - 131802914 HMDB0094734 - (3S,4S,5R,10R,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde - 443238 - - Soraphen O - 49787023 - - TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131754315 HMDB0043188 C00422 (3S,8R,9S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,17-decahydrocyclopenta[a]phenanthren-16-one - 102066428 HMDB0031080 - (3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol - 23724573 - - TG(15:0/14:1(9Z)/16:1(9Z)) - 131754297 HMDB0043170 C00422 Heptacarboxylporphyrin I - - - - [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate - 10391496 HMDB0041177 - [(6S,7S,9E,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4E,6E,8E,10E)-12,13,15-trihydroxy-2,4,6,10-tetramethylhexadeca-2,4,6,8,10-pentaenoate - 122129636 - C21276 [(2S)-1-hydroxy-3-(20-methylhenicosanoyloxy)propan-2-yl] docosanoate - 131802834 HMDB0094508 C00641 (1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-ethyl-1,3,9,27-tetrahydroxy-13-methyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid - 49787024 - - TG(21:0/i-15:0/8:0) - 131772452 HMDB0064846 C00422 1-Hydroxy-1-phenyl-3-octadecanone - 131751844 HMDB0035679 - (3S,5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol - 23724590 - - 1-Stearoyl-2-palmitoyl-sn-glycerol - 3246945 HMDB0007156 C00165 2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione - 11954010 HMDB0004649 - (5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one - 23724589 - - (3beta,8x,9x,15x,24x)-8,9-Epoxyergosta-5,22-diene-3,15-diol - 131752687 HMDB0039602 - 3-Hydroxy-1-phenyl-1-octadecanone - 131751845 HMDB0035680 - DG(22:0/20:4(5Z,8Z,11Z,14Z)/0:0) - 53478376 HMDB0007605 C00641 TG(16:0/20:1(11Z)/16:1(9Z)) - 131755213 HMDB0044143 C00422 (3S,3'S)-5,5',6,6'-Tetrahydro-5,6:5',6'-bisepoxy-beta,beta-carotene-3,3'-diol - 12358664 - - [4-Hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-sulooxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium - 131838543 HMDB0134844 - Cyclopassifloside X - 101063340 HMDB0036365 - (5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione - 23724584 HMDB0041527 - 2-{[2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-14,14-dimethyl-6-(2-methylbut-3-en-2-yl)-9-[(2-methylbut-3-en-2-yl)oxy]-4,12,15-trioxatetracyclo[8.5.0.0(3),.0(1)(1),(1)(3)]]pentadeca-1(10),2,6,8-tetraen-5-one - - HMDB0133021 - Lysyl-Asparagine - 18218223 HMDB0028946 - (2S)-2-azaniumyl-4-sulfanylbutanoate - 6971015 - - 25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] - 131751965 HMDB0036339 - (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol - 10765811 HMDB0035512 - (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione - 443815 - - DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0) - 14275403 HMDB0007220 C00641 2-[(E)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-enyl]-3-methylnaphthalene-1,4-dione - 90657851 - C20806 (1S,3S,4S,6S,7S,8R,11S,12S,14S,15R,16R)-15-[(2S)-2,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6,14-trihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid - 101063335 HMDB0036298 - [(1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetate - 101599036 HMDB0038535 - DG(18:2(9Z,12Z)/18:1(11Z)/0:0) - 53478104 HMDB0007246 C00641 1-g-Linolenoyl-3-stearidonoyl-sn-glycerol - 131802003 HMDB0056304 C00641 [(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[[(2S)-2-[3-(2-isopropyl-4-thiazolylmethyl)ureido]-3-methylbutyryl]amino]-5-phenylpentyl]carbamic acid 5-thiazolylmethyl ester - 44334979 HMDB0060896 - TG(i-24:0/14:0/10:0) - 131777046 HMDB0070006 C00422 5,14-bis(acetyloxy)-15-hydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-13-yl acetate - 131834745 HMDB0128405 - 19alpha-19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid - 131752425 HMDB0038683 - 6-({4-[(3,3-dimethyloxiran-2-yl)methyl]-5-hydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid - 131838605 HMDB0134919 - Torvoside F - 131753160 HMDB0041531 - (1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-(3,4-dihydroxybenzoyl)oxy-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid - 102247122 HMDB0029779 - 1-Arachidonoyl-3-docosahexaenoyl-sn-glycerol - 131802038 HMDB0056341 C00641 NCGC00385114-01_C41H70O13_(3beta,5xi,6alpha,9xi,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside - 56776279 - - (3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside - 23724613 - - DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0) - 9543888 HMDB0007321 C00641 AS 1-1 - 131751310 HMDB0032794 - 2,5-diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one - 135911928 - C18910 PE(DiMe(11,3)/MonoMe(13,5)) - 131770150 HMDB0061478 C00350 cis-Uvariamicin IB - 14759336 HMDB0032714 - Asp-Ser - 9964514 HMDB0028762 - [(2S)-3-hydroxy-2-octadecanoyloxypropyl] 20-methylhenicosanoate - 131802818 HMDB0094475 C00641 NCGC00347389-02_C42H72O14_beta-D-Glucopyranoside, (3beta,6alpha,9xi,12beta)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl- - 45782972 - - 7-(9Z-hexadecenoyloxy)-hexadecanoic acid - 126457353 HMDB0112155 - [(2S)-3-hydroxy-2-(17-methyloctadecanoyloxy)propyl] 19-methylicosanoate - 131802756 HMDB0094351 C00641 (3b,7b,22x)-Cucurbita-5,24-diene-3,7,23-triol 7-glucoside - 14807326 HMDB0037034 - TG(14:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z)) - 131753291 HMDB0042147 C00422 TG(i-21:0/a-21:0/a-13:0)[rac] - 131774776 HMDB0067306 C00422 (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol - 131751313 HMDB0032799 - 2-[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol - 131751194 HMDB0031831 - DG(22:0/20:4(8Z,11Z,14Z,17Z)/0:0) - 53478377 HMDB0007606 C00641 9-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-10,17-dihydroxy-6,6,19-trimethyl-4,7-dioxa-19-azapentacyclo[9.8.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1(11),2(8),9,13(18),14,16-hexaen-12-one - 131838922 HMDB0135320 - (2S,3R,4R,5S)-2-[(3S,5S,8R,9S,10S,13S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylheptane-3,4-diol - 23724591 - - 1-Behenoyl-2-eicosenoyl-sn-glycerol - 53478372 HMDB0007601 C00641 (1R,12S,16Z,24E,26E,28Z,32S)-1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone - 131833953 HMDB0127616 - [(2S)-2-decanoyloxy-3-hydroxypropyl] 19-methylicosanoate - 131802699 HMDB0094237 C00641 [(2S)-2-docosanoyloxy-3-hydroxypropyl] 22-methyltricosanoate - 131802867 HMDB0094574 C00641 5-(9Z-hexadecenoyloxy)-hexadecanoic acid - 126457352 HMDB0112154 - Everzol Orange BN - - - - beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp - 56927983 - - NCGC00347421-02_C35H54O10_Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, (3beta,5xi,9xi,16alpha)- - 56776384 - - [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate - 25244865 - C00422 2-Demethylmenaquinol-7 - 45479205 - - Glycerol 1-(9Z-octadecenoate) 2-octanoate 3-tetradecanoate - 131752286 HMDB0038059 C00422 [(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] tridecanoate - 53495074 HMDB0092967 C00641 (31R)-8-ethyl-12-methylbacteriochlorophyllide d - 122706547 - - 2-[1-[10,13-Dimethyl-1-oxo-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one - 129008889 - - 4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide - 124202073 HMDB0059970 - Ac-Val-Glu-Ile-Asp-CHO - - - - Leu-Ala-Arg-Glu-Leu - - - - [5-(4-Amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate - 75607483 - - Procion Yellow MX-8G - - - - [2-hydroxy-2-(5,11,12,13-tetrahydroxy-8-oxo-10-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3,7-dioxatricyclo[7.4.0.0(2),]trideca-1(13),9,11-trien-4-yl)ethoxy]sulfonic acid - 131835758 HMDB0129511 - Thrombin Substrate III,Fluorogenic - - - - Arg-Tyr-Leu-Lys - - - - TG(16:0/8:0/8:0) - 99121154 HMDB0103473 C00422 6-{[6,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(1)]docosa-1(14),3(12),4,6,8,15,17,21-octaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 134159965 HMDB0130483 - (2S,3R,4S,5R)-2-[[2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl]oxy]oxane-3,4,5-triol - 45360351 - - [(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,15-tetraacetyloxy-1,12-dihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate - 5316348 - - TG(13:0/12:0/12:0) - 91865736 HMDB0096761 C00422 TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 9545510 HMDB0055333 C00422 Arg-Phe-Tyr-Arg - - - - Benzoylpaeonilflorin - - - - Alectinib - 49806720 HMDB0248129 - Ncgc00384727-01_C48H78O18_ - 45783181 - - Ile-Ile-Arg-Ser-Ser - - - - (2S)-2alpha-(3-Methoxy-4-beta-D-glucopyranosyloxyphenyl)-2,3-dihydro-3beta-(hydroxymethyl)-5-(3-oxo-1-propenyl)-7-methoxybenzofuran - 21580492 - - [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl selenono phosphate - 90657723 - - DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) - 9543951 HMDB0007585 C00641 NCGC00347377-02_C41H66O14_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23-Dihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose - 56776295 - - (4R,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol - 25246251 - - 1-[[2-[(2-azaniumylacetyl)amino]-4-methylpentanoyl]amino]ethenyl-hydroxyphosphinate - 91819796 - - Ser-Ala-Val-Thr-Ala - - - - Dianix Blue 3RLS - - - - (11-Methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl) hydrogen sulate - 131836622 HMDB0131198 - 2-(4-chloro-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol - 131839540 HMDB0143631 - Phe4Cl-Val-OH - - - - NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid - 45360165 - - Cysteylglycyllysine - 18219891 - - 2alpha-[(2alpha-Pentylcyclopropan-1beta-yl)methyl]cyclopropane-1beta-octanoic acid methyl ester - 101637839 - - Pro-Asn-Asp - - - - Enalaprilat butyl tert-butyl diester - - - - 3-(β-D-Galactopyranosyloxy)-2-hydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate - 5320254 - C00422 Serylcysteyllysine - 18223871 - - Z-Asp(OMe)-Glu(OMe)-Val-DL-Asp(OMe)-FMK - - - - (2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol - 23844027 - - IGPLGLSPK/1_0 - - - - (3S,4S,5S,6R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol - 45479443 - - Ac-Lys-(NMe)Leu-Val-(NMe)Phe-Phe-NH2 - - - - (R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate - 45266680 - - Ala-Phe-Tyr-Arg - - - - (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide - 5321102 - - (2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate - 91826597 - - (2R,3R,6R)-1,2-Dimethyl-3-methoxy-6-[(1E,3E,5E)-1,3,5-decatrienyl]piperidine - 11623265 - - [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-(3,4-dimethyl-5-pentylfuran-2-yl)propanoate - 131819655 HMDB0112212 - Ncgc00380159-01_C33H52O13_ - 75368739 - - Val-Glu-Ser-Lys - - - - 8-Nonenoylglycine - 131802992 HMDB0094813 - Abu-Val-OH - - - - Ala-Nap-OH - 10056243 - - Ser-Ile-Phe-Glu - - - - (2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol - 10594699 - - Ala-Gly-Asp-Glu-Ser - - - - (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate - 5460265 - - (2R)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxypentanedioate - 44123316 - - 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-docosanoyl-sn-glycerol - 9543909 HMDB0007579 C00641 (1R,16Z,24E,26E,28Z)-12-[1-(3,4-dihydroxycyclohexyl)propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0,]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone - 131833970 HMDB0127634 - TyrMe-Asp-OH - - - - Diphenylphosphine isopropyl ester - - - - Telon Yellow 4R - - - - 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol - 9543970 HMDB0007759 C00641 Phe-Tyr-Ser-Lys - - - - 4-azaniumyl-5,6-dihydroxy-2-oxo-7-phosphonatooxyheptanoate - 25245409 - - Met-Phe-Thr-Glu-Asp - - - - Janthielamide - 57415037 - - Chicago blue - 17461 - - Kipukasin I - 45359187 - - Ile-Thr-Ser-Ser-Leu - - - - [(2S)-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-hydroxypropyl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate - 131823048 HMDB0116393 C00641 (2E)-2-hydroxypenta-2,4-dienoate - 54675827 - - 3(S)-Hydroxy-4(R),8-dimethyl-nonanoyl-CoA - 131769857 HMDB0060161 - CDP trianion - 20056867 - - Phe4Cl-Thr-OH - - - - [(2S)-2-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]-3-hydroxypropyl] 11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoate - 131823024 HMDB0116369 C00641 3'-Sialyl Lewis X-CH3 - - - - TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) - 56936883 HMDB0054281 C00422 Carbobenzyloxyglycyl-L-norleucine methyl ester - 297849 - - Lys-Ser-Lys - 444464 - - Glasdegib - 25166913 - - 25-Hydroxyvitamin D2-25-glucuronide - 6444033 HMDB0010342 - Dye X-13046-68a - - - - 1-pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol - 53478021 HMDB0007092 C00641 Phe-Tyr-Phe-Lys-Ile - - - - Asp-Ile-Ser-Glu - - - - Pro-Phe-Tyr-Leu-Arg - - - - Isoglobotriaose (iGb3) - - - - Ncgc00380873-01_C47H74O16_ - 23815373 - - TG(16:1(9Z)/18:1(9Z)/18:1(9Z)) - 9544083 HMDB0005438 C00422 Asp-Leu-Glu-Asp - - - - TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) - 56936590 HMDB0042805 C00422 (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid - 102066429 HMDB0031357 - AGAAAAK/2_0 - - - - TG(16:0/22:2(13Z,16Z)/o-18:0) - 131755473 HMDB0044416 C00422 (2S)-Ompt - 16078994 - C00681 17-trifluoromethylphenyl trinor PGF2 ethyl amide - - - - Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe - - - - 1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol - 9543958 HMDB0007642 C00641 (4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium - 25244675 - - His-Trp-Asp-His-Leu - - - - beta-Bag Cell Factor - - - - Ncgc00381132-01_C23H38O17_ - 75536028 - - 4-((1E)-3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside - - - - TG(18:0/18:2(9Z,12Z)/20:0) - 9544390 HMDB0005409 C00422 (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] - 131750894 HMDB0029766 - PS(15:0/24:1(15Z)) - 131819722 HMDB0112341 - Asn-Phe-Ala-Arg - - - - CTP trianion - 42609798 - - 1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycerol - 9543747 HMDB0007223 C00165 NCGC00381438-01_C29H48O22_alpha-D-Glucopyranoside, O-beta-D-glucopyranosyl-(1->2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-alpha-D-glucopyranosyl O-beta-D-glucopyranosyl-(1->2)- - 75411991 - - Nap-Trp-OH - - - - 2-[[4-[[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid - 5280320 - - [(2S)-1-amino-4-[5-(3-amino-2-formamido-3-oxopropyl)-1H-imidazol-2-yl]-1-oxobutan-2-yl]-trimethylazanium - 25245981 - - [(2S)-1-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]-3-hydroxypropan-2-yl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate - 131823029 HMDB0116374 C00641 Cymarin 508-77-0 10504 - - 9(S)-HPODE 29774-12-7 9548877 HMDB0062434 C14827 Carnitine C4:0 1492-26-8 439829 HMDB0002013 C02862 Carnitine C3:0 17298-37-2 107738 HMDB0062514 C03017 Carnitine C5:0 31023-24-2 - HMDB0000688 - 2-Amino-1-phenylethanol 7568-93-6 1000 HMDB0001065 C02735 O-acetyl-L-serine 5147-00-2 99478 HMDB0003011 C00979 Carnitine isoC4:0 25518-49-4 10177002 HMDB0000736 - 7-Methylguanosine 20244-86-4 135445750 HMDB0001107 - 7-O-Methylluteolin 20243-59-8 5318214 HMDB0037339 - Glu-Val-Phe 31461-61-7 193678 - - 2-Acetylpyrazine 22047-25-2 30914 HMDB0031861 - Harmaline 304-21-2 3564 HMDB0030310 C06536 Raltegravir 518048-05-0 54671008 - - Levofloxacin 100986-85-4 149096 HMDB0001929 C07660 Famciclovir 104227-87-4 3324 HMDB0014570 - LPC(0:0/20:4) 67341-29-1 52924038 HMDB0061699 C00157 Adrenosterone 382-45-6 223997 HMDB0006772 C05285 Dipyridamole 58-32-2 3108 HMDB0015110 - Palonosetron 135729-61-2 | 149653-99-6 6337614 - - Gossypol 90141-22-3 3503 HMDB0040723 C07667 PC(18:3/18:3) 324054-21-9 52922787 HMDB0008172 C00157 Ibudilast 50847-11-5 3671 HMDB0015614 - Inosine triphosphate 132-06-9 135398643 HMDB0000189 C00081 Roxithromycin 80214-83-1 6915744 HMDB0014916 C13173 Exemestane 107868-30-4 60198 HMDB0015125 C08162 Hyoscyamine 101-31-5 154417 HMDB0014568 C02046 3'-Uridylic acid 84-53-7 101543 HMDB0060282 C01368 Scopoletin 92-61-5 5280460 HMDB0034344 C01752 Arbutin 497-76-7 440936 HMDB0029943 C06186 Nisoldipine 63675-72-9 4499 HMDB0014545 C07699 Benzoylecgonine 519-09-5 448223 HMDB0041836 - 4-Formyl-2-methoxyphenyl acetate 881-68-5 61229 HMDB0029663 - 2-Amino-5-methyl-4-phenylthiazole 30709-67-2 96129 - - Procaterol hydrochloride hemihydrate 62929-91-3 | 81262-93-3 43091 HMDB0001924 - Spiramycin 24916-50-5 | 8025-81-8 5289394 - - Lincomycin 154-21-2 3000540 HMDB0015564 C06812 C24:1 Sphingomyelin 94359-13-4 44260126 HMDB0012107 C00550 Crotonoside 1818-71-9 65085 - C08432 Octyl-Beta-D-Glucopyranoside 29836-26-8 | 144388-20-5 | 78168-20-4 62852 - - Pachyrrhizin 10091-01-7 101277 HMDB0034049 - Gly-Pro-Arg 47295-77-2 170776 - - (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide 935881-37-1 6918848 - C77219 Garcinone D 107390-08-9 5495926 HMDB0033332 - Pyridaben 96489-71-3 91754 - C18614 N-(2-hydroxyethyl-1,1,2,2-d4)-5Z,8Z,11Z,14Z-eicosatetraenamide 946524-40-9 24762159 - - Ethyl cinnamate 103-36-6 | 4192-77-2 637758 HMDB0033834 C06359 Quininae 130-95-0 8549 HMDB0014611 C06526 Ferimzone 89269-64-7 9013425 - C18579 15-keto-PGF1alpha 21562-58-3 5283118 HMDB0060045 - 2-amino-N-cyclopentyl-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide 839699-72-8 1882365 - - Deethylatrazine 6190-65-4 22563 HMDB0033249 C06559 6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-1-cyclopentenyl]pyridine-2-carboxylic Acid 612831-24-0 10238338 - - 16,16-dimethyl-PGE1 41692-15-3 5283058 - - Tolperisone 728-88-1 | 474641-19-5 5511 - - Losartan Carboxaldehyde 114798-36-6 9802264 HMDB0013846 - Benoxacor 98730-04-2 62306 - - Taurolithocholic acid 516-90-5 439763 HMDB0000722 C02592 PE(18:2(9Z,12Z)/18:2(9Z,12Z)) 20707-71-5 9546812 HMDB0009093 C00350 Terbutaline 23031-25-6 5403 HMDB0015009 C07129 Tricaproin 621-70-5 12131 HMDB0031125 C00422 (+)-Isomenthone 1196-31-2 | 491-07-6 70962 - - 2-Dodecenal 4826-62-4 5283361 HMDB0031020 - Amiodarone hydrochloride 19774-82-4 441325 - - Methyldiphenylphosphine 1486-28-8 73879 - - Oxybuprocaine 99-43-4 4633 HMDB0015029 - 6,15-Diketo-13,14-dihydro-PGF1alpha 63983-53-9 174013 - - Spinosyn D 131929-63-0 183094 - - N-Arachidonylmaleimide 876305-42-9 25021164 - - HMG-CoA 26926-09-0 445127 HMDB0001375 C00356 1-Stearoyl-2-Arachidonoyl PC-d8 161922-50-5 71684675 - C00157 Cholesterol hemisuccinate 1510-21-0 65082 - - D-xylulose 551-84-8 | 5962-29-8 5289590 HMDB0001644 - Fuberidazole 3878-19-1 | 101575-84-2 19756 - C18737 Doxylamine 562-10-7 3162 HMDB0001936 - Capsidiol 37208-05-2 161937 HMDB0002352 C09627 Ethinyl estradiol 57-63-6 5991 HMDB0001926 C07534 Flurandrenolide 1524-88-5 15209 HMDB0014984 - Colfosceril palmitate 63-89-8 452110 HMDB0000564 - Hexobarbital 56-29-1 3608 HMDB0015444 - Tricosane 638-67-5 12534 HMDB0061866 C17433 Ajaconine 545-61-9 441706 - C08656 1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine 59403-51-9 24778686 HMDB0007970 C00157 Retinal 116-31-4 638015 HMDB0001358 C00376 N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide 519170-13-9 2177065 - - (Z)-Octadec-11-enyl acetate 6186-98-7 5363286 - - Beauvericin 26048-05-5 3007984 - - Myo-inositol 1,3,5-trisphosphate 114418-88-1 195079 - - Linoelaidic acid 506-21-8 5282457 HMDB0006270 - 4-Hydroxybenzyl alcohol 623-05-2 125 HMDB0011724 C17467 5alpha-Androstan-3beta-ol 1224-92-6 92877 HMDB0005830 - 2-[6-(2-Hydroxy-2-phenylethyl)-1-methyl-2-piperidyl]-1-phenylethanol 552-72-7 96946 - - 1-Phenyl-1,3-eicosanedione 58446-52-9 94050 HMDB0032925 - Docosyl acetate 822-26-4 69969 - - (3E,6Z)-3,6-Nonadien-1-ol 56805-23-3 44630408 HMDB0038067 - Butralin 33629-47-9 36565 - C18582 Phosalone 2310-17-0 4793 HMDB0041985 C11028 Probenazole 27605-76-1 91587 - C18483 S-Methyl methanethiosulfonate 2949-92-0 18064 HMDB0031832 - 2-Methyl-5-nitroaniline 99-55-8 7444 - C16398 16alpha-Hydroxyestrone 566-76-7 115116 HMDB0000335 C05300 Alpha-L-Fucose 6696-41-9 439554 HMDB0000174 C01019 1-Arachidonoyl-sn-glycero-3-phosphocholine 60701-99-7 24779476 HMDB0010395 C00157 beta-D-Galactose 7296-64-2 439353 HMDB0003449 C00962 8,8a-deoxy-oleane 53428-54-9 193898 - C11989 4-(1-Hydroxyethyl)phenol 2380-91-8 102803 - - 17alpha-Hydroxypregnenolone 387-79-1 91451 HMDB0000363 C05138 4-Methylene-L-glutamine 31138-12-2 439401 - C01109 4-Phenanthrenecarboxylic acid 42156-92-3 181727 - C18253 L-Rhamnulose 1-phosphate 444-09-7 6451998 - C01131 4-Sulfobenzoic acid 636-78-2 69469 - C02236 Methoxybauerenol 11008-41-6 621521 HMDB0040517 - 2,5-Dihydroxybenzoic acid 490-79-9 3469 HMDB0000152 C00628 L-2-amino-4-(aminooxy)butyrate 496-93-5 25246035 - - Hydroxyacetone 116-09-6 8299 HMDB0006961 C05235 Picrocrocin 138-55-6 130796 HMDB0005796 C17055 6''-O-Acetylglycitin 134859-96-4 10228095 HMDB0039489 - Pedilstatin 70028-76-1 643665 - - Monoethylglycinexylidide 7728-40-7 24415 HMDB0060656 C16561 Carnosifloside I 109985-90-2 11953915 - C08790 A-Nor-5alpha-cholestan-2-one 2310-36-3 242347 - - Phosphoguanidinoacetate 5115-19-5 188984 HMDB0003705 C03166 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide 701-44-0 69698 HMDB0004193 C05842 S-(4,8-dimethylnonanoate 204120-61-6 53481003 HMDB0011604 - 1-O-Indol-3-ylacetyl-beta-D-glucose 19817-95-9 440255 - C04197 L-altraric acid 117468-79-8 6857566 - C21088 Fumonisin AK1 170591-49-8 348288632 HMDB0033397 - all-trans-Carophyll yellow 1109-11-1 131751340 HMDB0032879 - Glycolaldehyde 141-46-8 756 HMDB0003344 C00266 Dibasic sodium phosphate 7558-79-4 24203 - C13558 Tubulosine 2632-29-3 72341 - C09248 (R)-beta-alanopine 2254-38-8 24906320 - C02207 Geranylgeraniol 24034-73-9 | 7614-21-3 5281365 - C09094 Ginsenoside A1 69884-00-0 3841360 HMDB0040416 - Mycaminosyltylonolide 61257-02-1 6437420 - - DL-threo-beta-Hydroxyaspartic acid 7298-99-9 | 4294-45-5 443239 - - 6-Acetoxydihydrotheaspirane 72541-09-4 93838 HMDB0040276 - Phytonadiol 572-96-3 5280585 HMDB0004198 C03313 All-trans-heptaprenyl diphosphate 76078-18-7 5280658 HMDB0012187 C04216 3-Hydroxy-2-naphthoic acid 92-70-6 7104 - - Deoxybrevianamide E 34610-68-9 182203 - C20636 L-Citronellol glucoside 117895-55-3 14239337 HMDB0029850 - Erythromycin B 527-75-3 9918244 - C06653 Citbismine B 169055-77-0 131753142 HMDB0041434 - Lucidine B 71384-23-1 | 1361-15-5 156059 - - Mirasan 2519-75-7 75648 - - Scymnol 6785-34-8 165531 - - Spirolucidine 89647-79-0 442502 - C09903 UDP-L-rhamnose 1955-26-6 23724469 HMDB0012305 C02199 Medicagenic acid 3-O-[b-D-glucosyl-(1->6)-b-D-glucosyl-(1->3)-b-D-glucoside] 37838-43-0 4483634 HMDB0039487 - Artemisyl propionate 79507-84-9 101415797 HMDB0041554 - (3S)-versiconol acetate 70979-72-5 71296147 - C20506 Madlongiside C 67258-70-2 21628395 HMDB0037904 - Dulcitol 608-66-2 11850 HMDB0000107 C01697 PE(P-16:0/20:4(5Z,8Z,11Z,14Z)) 97859-69-3 52925126 HMDB0011352 C00350 1-(1Z-hexadecenyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine 65289-02-3 52925128 HMDB0011342 C00350 Plastoquinone A 4299-57-4 5375177 HMDB30129 - Persenone B 215117-09-2 9975455 HMDB0035959 - Gingerglycolipid B 88168-90-5 10009754 - - 5-Carboxyvanillic acid 2134-91-0 16488 - C18338 Ixabepilone 219989-84-1 6445540 HMDB0015593 - Amygdalin 29883-15-6 656516 HMDB0035030 C08325 Lactaldehyde 598-35-6 439231 HMDB0003052 C00424 (6R)-6-(Hydroxymethyl)-alpha-D-mannopyranose 1-phosphoric acid 159000-62-1 23724507 - C19880 (2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid 114828-85-2 5280969 - C06603 Trehalose-6,6'-dibehenate 66758-35-8 11170611 - C19190 Ciceritol 88167-26-4 10142653 HMDB0032777 - N-Acetyl-D-galactosamine 6-sulfate 157296-99-6 440271 - C04255 Aminopentol 145040-09-1 21119850 - C19805 Butanoic acid, 4-((4-(4-chlorophenyl)-2-thiazolyl)amino)-4-oxo- 71576-05-1 3054678 - - Physcion 8-gentiobioside 84268-38-2 442762 HMDB0036009 - 13-Hydroxydocosanoic acid 13980-16-0 151842 - C03049 Valethamate 16376-74-2 5648 - - 6-chloropyridazine-3-sulfonyl Fluoride 209848-48-6 10750417 - - Calenduloside E 26020-14-4 | 108322-31-2 176079 HMDB0040851 C08964 Danofloxacin mesylate 119478-55-6 71334 - C71643 Novaluron 116714-46-6 93541 - C18875 5,8,11,14-Eicosatetraenamide, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (5Z,8Z,11Z,14Z)- 862913-13-1 16218957 - - 2-Phenylethyl beta-D-glucopyranoside 18997-54-1 468284 HMDB0029819 - Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one 5835-18-7 539850 HMDB0040232 - 9-Octadecenal 5090-41-5 5283381 HMDB0030965 - Pravastatin sodium 81131-70-6 16759173 - - Decyl(Dimethyl)phosphine Oxide 2190-95-6 3492020 - - 1-Methylphenanthrene 832-69-9 13257 - C19457 N-cyclohexylbenzenecarbothioamide 10220-98-1 1518773 - - Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)- 69091-17-4 155245 - - 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one 6969-71-7 81431 - - 4-Dodecylphenol 104-43-8 66030 - - Gadusol 76663-30-4 195955 HMDB0041031 - Octapropylene glycol 45308-36-9 22051740 - - FFA(18:3) 544-72-9 5280933 HMDB0030963 C08364 Finaconitine 81161-27-5 441733 - C08684 6-Nitro-2-phenyl-1H-benzo[D]imidazole 1571-85-3 759399 - - Lythidathion 2669-32-1 17580 - C19004 Succinylcholine 306-40-1 5314 HMDB0014347 C07546 Heptapropylene glycol 14362-16-4 12827211 - - 2-(4,5,6,7-Tetraiodo-1,3-dioxo-2-isoindolyl)acetic acid 19231-60-8 4462449 - - Methyl 5-(Chlorosulfonyl)-2-Furoate 69816-05-3 2736845 - - Crocetin gentiobiosylglucosyl ester 55750-84-0 9940690 - C17513 Piroctone olamine 68890-66-4 50258 - - Mabioside A 143672-61-1 131752489 HMDB0038886 - Deglucoparillin 11025-83-5 418709 HMDB0038382 - Tungstic acid 7783-03-1 | 82351-38-0 1152 - C20679 Sulcotrione 99105-77-8 | 123174-48-1 | 114680-61-4 91760 - C77376 4-Fluoro-3-(methylsulfonyl)benzoic acid 158608-00-5 10680315 - - Voamatin C 262359-78-4 101023211 - - N-[4-(2-chloroacetyl)phenyl]methanesulfonamide 64488-52-4 116629 - - Bryotoxin A 101329-50-4 441848 - C08853 1-(3,6-Dibromo-carbazol-9-yl)-3-phenylamino-propan-2-ol 301353-96-8 2836187 - - Camelliol A 220359-69-3 6451135 HMDB0033181 - 2,3-Dihydro-5-methyl-3-thiophenethiol 56079-02-8 20362516 HMDB0039791 - 6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione 568555-61-3 2363705 - - Novobiocin(1-) 1476-53-5 15940185 - - N-Ethyl-p-menthane-3-carboxamide 39711-79-0 62907 HMDB0037834 - N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine 222403-68-1 52931203 HMDB0012104 - 2-Mercaptoimidazole 872-35-5 | 82358-15-4 | 49556-19-6 1201386 - - 1-(4-Chloro-1,2,5-thiadiazol-3-yl)piperidine 173053-54-8 808966 - - Ancitabine hydrochloride 10212-25-6 25050 - - PGD2-dihydroxypropanylamine 851761-42-7 24778493 - - Spectinomycin 1695-77-8 15541 HMDB0015055 C02078 2-((1H-benzo[d]imidazol-2-yl)thio)-N,N-dimethylethanamine 7673-89-4 30184 - - 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane 331465-71-5 4571243 - - 3-Iodo-4-(prop-2-yn-1-yloxy)benzaldehyde 812642-63-0 3419357 - - Sylvatine 42438-80-2 90472536 - - Butenafine hydrochloride 101827-46-7 443867 - - Adenosine 5'-tetraphosphate(5-) 58337-43-2 24916929 - - Vobtusine 19772-79-3 73534 - - Carmoisine 3567-69-9 19118 HMDB0036795 C19358 Anemarsaponin E 244779-38-2 74029732 HMDB0034375 - 4,4'-Thiobisbenzenethiol 19362-77-7 619483 - - Perphenazine 58-39-9 4748 HMDB0014988 C07427 Wiskostatin 253449-04-6 2775510 - - Ethyl selenac 105618-13-1 220802 - C19421 2,4,8-Eicosatrienoic acid isobutylamide 64543-30-2 131751008 HMDB0030385 - 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol 126398-85-4 14487957 HMDB0040765 - Fluvoxamine maleate 61718-82-9 | 54739-20-7 9560989 - - (2-Hydroxy-2-oxo-1,2lambda5-oxaphospholan-5-yl)methyl (Z)-octadec-9-enoate 779333-58-3 10112619 - - EUK 134 81065-76-1 45489809 - - Janthitrem E 90986-50-8 10348646 HMDB0030529 - (3xi,16xi,21xi)-12-Ursene-3,16,21-triol 52084-05-6 131751600 HMDB0034656 - Trimethylsilyl heptadecanoate 55517-58-3 521635 HMDB0094683 - 22-Angeloyltheasapogenol A 200492-44-0 131751325 HMDB0032831 - [D-Lys3]-GHRP-6 136054-22-3 5311279 - - Emedastine difumarate 87233-62-3 5282485 - - Lead nitrate 10099-74-8 24924 - C15234 (3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol 20835-91-0 634760 HMDB0030014 - Carnitine C5:1 - 22833596 HMDB0002366 - Carnitine C7:DC - - - - [(2R)-3-hexadecoxy-2-hydroperoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate - 21076389 - - Carnitine ph-C1 - 129022 - - Carnitine C5:DC - - - - Carnitine C19:0 - - - - Asparagoside C - 24833885 HMDB0031835 - Goshonoside F7 - 131752351 HMDB0038378 - Arg-Ile-Thr - 145453860 - - Val-Arg-Thr - 100921876 - - Thr-Arg-Gly - 145457957 - - Ser-Arg-Ser - 12042786 - - R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)-5,5-dimethyloxazolidin-2-one - 101804811 - - N-[2-[[[[(2S,3R)-2-(Hexadecanoylamino)-3-hydroxy-4-octadecenyl]oxy]hydroxyphosphinyl]oxy]ethyl]trimethylaminium - 5283590 HMDB0010169 - His-Arg-Leu-Leu-Leu - - - - Thr-Thr-Arg - 145458202 - - His-Arg-Asn - 145455745 - - (R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate - 124079544 - - Phe-Pro-Lys - 11153522 - - Diisooctyl phthalate - 33934 HMDB0251353 C14577 Val-His-Phe - 145458938 - - Ile-Trp-Tyr - 145456306 - - Tyr-Gln-Gln - 145458619 - - Gln-Leu-Val-Arg-Ala - - - - PE-NMe2(16:0/16:0) - 9547021 HMDB0010566 - Leu-Thr-Thr - 145456527 - - Ser-Gln-Thr - 145457729 - - His-Ile-Phe - 145455879 - - Glu-Phe-Tyr-Tyr-Arg - - - - Tyr-Val-Ser-Arg - - - - Leu-Ser-Ile - 145456516 - - Cys-Arg-Met - 145454647 - - Ile-Arg-Phe - 145456055 - - Leu-Ser-Val - 145456520 - - Gln-Phe-Asp - 145455170 - - Arg-Asn-Tyr - 145453756 - - His-Phe-Ser - 145455940 - - Val-Asn-Phe - 145458855 - - Arg-Ser-Lys - 145453937 - - (8xi)-11,15-Dihydroxy-N-(2-hydroxyethyl)-9-oxoprost-13-en-1-amide - 71433684 - - Gln-Phe-Leu - 145455177 - - Glu-Trp-Arg - 9870151 - - 4-Chloro-2-nitrobenzylalcohol - 1959 HMDB0249542 - Met-Tyr-Gln - 145457095 - - (1-(5-Fluoropentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone - 57501498 - - Tyr-Arg-Leu-Ile-Val - - - - 1,2-Dioleoyl-sn-glycerol - 9543716 HMDB0007218 C00641 Cys-His-Lys - 145454762 - - Arg-Asp-Ile - 145453764 - - Glu-Thr-Thr - 145455518 - - 4-(Butylamino)benzoic acid - 95946 HMDB0246301 - 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one - 6426860 HMDB0253666 - Arg-Met-Asp - 145453889 - - Asp-Trp-Met - 145454584 - - Pro-Glu-Ile - 138911110 - - Lys-Phe-Phe - 71372064 - - Ser-Val-Arg - 145457926 - - Gly-Pro-Gln - 91974831 - - Fluphenazine sulfoxide - 3036919 HMDB0252402 - Glu-Phe-Thr-Pro-Ala - - - - Pro-Val-Asn - 145457635 - - Val-Asn-Val - 145458861 - - ethyl (E,4S)-4-[[3-hydroxy-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-methylbutanoyl]amino]propanoyl]amino]-6-methylhept-2-enoate - 91746176 - - Val-Trp-Val - 53997579 - - Lys-Met-Arg - 145456724 - - Ile-Tyr-Val - 145456324 - - Gln-Ala-Glu-Asp - - - - Taspine - 215159 HMDB0258734 - Lys-Leu-Gly - 24769460 - - Arg-Pro-Asp - 145453918 - - Asp-Pro-Gly - 145454534 - - Tyr-Phe-Gln - 145458732 - - 2-Hydroxyibuprofen - 10443535 HMDB0060920 - Leu-Gly-His - 145456424 - - Arg-Cys-Ser - 145453784 - - Tyr-Ser-Tyr - 145458763 - - Arg-Gln-Asn - 145453789 - - Tyr-Arg-Leu - 145458561 - - Tyr-Phe-Glu - 57396003 - - Ethalfluralin - 41381 HMDB0251997 C18827 Asn-Gly-Val - 145454125 - - Pro-Pro-Glu - 25270515 - - Bouillonamide A - 139588400 - - Trp-Gln-Gln - 145458341 - - Lys-Val-Ala - 145456814 - - Tyr-Leu-Ala-Lys - - - - Petunidin 3-(6''-acetylglucoside) - 44256961 - - Gly-Trp-Leu - 14308362 - - His-Lys-Phe - 67919500 - - His-Gln-Phe - 145455823 - - 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine - 6441886 HMDB0007991 C00157 Asp-Cys-Trp - 145454400 - - Thr-Pro-Thr - 25059233 - - JWH 073 5-hydroxyindole metabolite - 53394453 - - Albendazole-2-aminosulfone - 88125 HMDB0247482 C16627 2-Azaniumylethyl 2,3-di(tetradecanoyloxy)propyl phosphate - 75228634 HMDB0008821 C00350 Phenylethylmalonamide - 23611 HMDB0245113 C07499 Cys-Leu-Gln - 46935384 - - Cys-Gly-Asp-Val-Met - - - - Tyr-Ile-Asn - 145458672 - - Gly-Thr-Ser - 124420557 - - Ala-Cys-His - 145453551 - - PE-NMe(16:0/22:4(7Z,10Z,13Z,16Z)) - 131820170 HMDB0113055 C00350 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine - 24778688 HMDB0007971 C00157 PE-NMe2(18:1(9Z)/18:3(9Z,12Z,15Z)) - 131821154 HMDB0114046 C00350 UDP-N-acetyl-D-mannosamine - 53481607 HMDB0013112 C01170 Indan-1-ol - 22819 HMDB0059601 C01710 PA(18:1(11Z)/20:3(5Z,8Z,11Z)) - 131821916 HMDB0114908 - PE-NMe(15:0/18:1(9Z)) - 131820069 HMDB0112953 C00350 3-Methyl-cis,cis-muconic acid - 5280648 - C04112 PE-NMe(15:0/18:1(11Z)) - 131820070 HMDB0112954 C00350 Chivosazole F - 10818425 - - PS(18:2(9Z,12Z)/18:1(9Z)) - 52925460 HMDB0012401 - 6-Thioinosine 5'-monophosphate - 5184161 - - PE-NMe(18:1(11Z)/15:0) - 131820227 HMDB0113112 C00350 PA(18:3(6Z,9Z,12Z)/20:0) - 52928976 HMDB0114985 - 2-Iminobutanoic acid - 18454345 - C20905 4-Amino-2-hydroxylamino-6-nitrotoluene - 9543061 - - 2,8-Dihydroxyquinoline-beta-D-glucuronide - 53481014 HMDB0011658 - PE-NMe(18:0/18:1(11Z)) - 131820087 HMDB0112971 C00350 Acetylhydrazine - 14039 HMDB0060428 C07447 2-Methylphloroglucinol - 66606 - - Psychotrin - 3496498 - - 3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione - 14372344 - C19944 5,6,7-trihydroxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one - 131833595 HMDB0127230 - Acetone oxime - 67180 HMDB0247913 C01995 2-Methylene-4-oxopentanedioic acid - 440813 HMDB0037759 C06035 LPE(0:0/22:4) - 53480942 HMDB0011493 C04438 (7R,8Z)-bacteriochlorophyll b - 11953948 - - L-Fuculose 1-phosphate - 6857415 HMDB0001265 C01099 Mollicellin J - 24787300 HMDB0139187 - 2-epi-Valiolone - 102290074 - C21282 (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid - 53480845 HMDB0011341 C00350 Thiirane - 9865 HMDB0258994 C19419 6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose - 439557 - C01728 Germacradienol - 16667385 - - 2,3-Dimethyl-6-geranylgeranyl-1,4-benzoquinol - 5327035 - C20738 3-Hydroxy-2,4-dioxopentyl phosphate - 54758623 - C20960 LPE(0:0/18:1(11Z)) - 53480924 HMDB0011475 C04438 Mg-2,4-Divinylpheoporphyrin - 443429 - - Phaeophorbide b - 135770374 HMDB0031149 - n-Methyl-l-valyl-l-tryptophanol - 91115345 - - S-methyl-5-thio-D-ribofuranose - 10313378 HMDB0001087 C03089 beta-D-Fructose 6-phosphate - 440641 HMDB0003971 C05345 Licoagrodin - 637141 HMDB0035372 - [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl hydrogen sulfate - 11097293 - C02827 1-Erucoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine - 53479857 HMDB0009519 C00350 Avermectin A1a monosaccharide - 11953992 - - 4'-Apo-beta-carotenal - 44224033 - C19892 S-Inosyl-L-homocysteine - 135398693 - C03431 2-Bromoacetaldehyde - 105131 HMDB0060344 C14870 (+)-(3S,4R)-3,4-dihydroxy-3,4-dihydrofluorene - 441319 - C07721 cis-3,4-Phenanthrenedihydrodiol-4-carboxylate - 49787035 - C18256 Fusicocca-1,10(14)-diene-8beta,16-diol - 90657589 - - 9-Decenoylcholine - 22155840 HMDB0013206 - (2R)-3-sulfopropanediol - 49852441 - C19675 ({1-[6-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-7-hydroxy-2-methyl-2H-chromen-2-yl]-4-methylpent-3-en-1-yl}oxy)sulfonic acid - 131836859 HMDB0132818 - Lolitrem B - 91820047 - - Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->4)-b-D-galactosyl-(1->4)-b-D-glucuronide] - 131753083 HMDB0041244 - 3'-Amino-3'-deoxythimidine glucuronide - 131769941 HMDB0060751 - (1R,4R,4'R,5S,5'S,6R,6'S,7R,9R,11R,12R,13S,14S)-12-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-ethyl-5,5',6,11-tetrahydroxy-4'-methoxy-4',5,6',7,9,11,13-heptamethylspiro[3,15,17-trioxabicyclo[12.4.0]octadecane-16,2'-oxane]-2,8-dione - 49787010 - C06634 Decapropylene glycol - 87390959 - - PE(16:0/18:3(9Z,12Z,15Z)) - 9546746 HMDB0008930 C00350 NCGC00384765-01_C20H32O9_(1beta,2alpha,4xi,5xi,9xi,11alpha,12alpha,13xi,15beta)-1,2,4,11,12,14,15-Heptahydroxypicrasan-16-one - 51136370 - - Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)- - 9546872 - C00641 Ombitasvir - 54767916 - C72037 Diammonium ethylenebis(dithiocarbamate) - 3034395 HMDB0031224 C18449 erythromycin C(1+) - 56927953 - - PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52922939 HMDB0008255 C00157 erythromycin D(1+) - 56927991 - - PI(18:0/18:3(6Z,9Z,12Z)) - 52927736 HMDB0009810 - PI(18:1(9Z)/18:3(6Z,9Z,12Z)) - 52927751 HMDB0009839 - 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine - 9547099 - - 1-(9Z-tetradecenoyl)-2-pentadecanoyl-glycero-3-phosphocholine - 52922246 HMDB0007901 C00157 PI(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) - 52928307 - C00641 1-Tetradecanoyl-2-pentadecanoyl-sn-glycero-3-phosphocholine - 24778611 HMDB0007868 C00157 NCGC00384703-01_C48H77NO17_Olean-12-en-28-oic acid, 16-hydroxy-3-[[O-beta-D-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-, (3beta,5xi,9xi,16alpha,18xi)- - 45360072 - - 1-(9Z-hexadecenoyl)-2-hexadecanoyl-glycero-3-phospho-(1'-myo-inositol) - 52927628 HMDB0009797 - PIP(16:0/20:1(11Z)) - 53480124 HMDB0009927 C00626 PA(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) - 52928715 HMDB0114799 - cyclo[Gly-Phe-Val-Phe-Pro] - 11249796 - - Luteolin-7-O-(6''-malonyl)glucoside-5-O-arabinoside - - - - O-Methylsakerinol A - 101059286 - - beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose - 131753074 HMDB0041224 - PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) - 52924142 HMDB0008865 C00350 2-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol - 131834323 HMDB0127935 - (1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside - 90658253 - - MG(0:0/13:0/0:0) - 9814491 HMDB0072861 C01885 [(1R)-1-Vinylhexyl]beta-D-glucopyranoside - 97301592 - - Dictamnoside N - 11003271 - - 1-(tetrahydro-2H-thiopyran-4-yl)piperazine - 45791268 - - 3-Isopropenylpimelyl-CoA - 9543047 - C11936 PC(15:0/18:3(6Z,9Z,12Z)) - 52922314 HMDB0007941 C00157 Tetrahydrobungeanool - 5321844 - - Oleoyl ethylamide - 44270319 - - 3-Hydroxymonoethylglycinexylidide - 3015693 HMDB0060678 C16572 71-Hydroxychlorophyll a - 90657665 - - (1S)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol - 25201441 - - Dihydroaspyrone - 16196967 - - Peramivir trihydrate - 11954371 - - Novamethymycin(1+) - 86289220 - - (±)19(20)-EpDPE(A) - 11631565 HMDB0013620 - 3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde - 131837795 HMDB0134031 - 1-(1Z-hexadecenyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphoethanolamine - 52925047 HMDB0011339 C00350 PE(14:1(9Z)/20:3(8Z,11Z,14Z)) - 52924148 HMDB0008870 C00350 [(1R,2R,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate - 5321674 - - (24S)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate - 56927964 - - Lys-His-Lys - 444445 - - 16-Feruloyloxypalmitate - 44237331 - - LysoPC(18:4(6Z,9Z,12Z,15Z)) - 52924047 HMDB0010389 C00157 2-Butyne-1,4-diol - 8066 HMDB0245045 C02497 Prostaglandin E2-biotine - 71684540 - - (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - 5284519 HMDB0015194 - 4beta,5alpha,10beta-Trihydroxycadinane - 11054283 - - 4-hydroxy-2-methyl-3-oxo-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-1-oxide - 118797928 - C21141 erythromycin A(1+) - 44629456 - - Dipalmitoylethylphosphocholine - 59022408 - C00157 3'-O-beta-Glucopyranosyl-stilbericoside - 6325264 - - Arginylasparagylarginine - 18218633 - - beta-Lipotropin (88-91) - - - - Aquifoliunine EII - 74822352 HMDB0032859 - 6'''-Oxoneomycin C - 46173952 - C17589 Philanthotoxin-74 - 10122460 - - (5,6-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid - 131832286 HMDB0125820 - [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-bis(sulfanylidene)butoxy]-hydroxyphosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate - 5486686 - - Phosphatidylinositol-3,4,5-trisphosphate - 53477782 HMDB0004249 - (2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]icosanamide - 10652772 - - PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52926308 HMDB0010644 C00344 N'-monoacetylchitobiose-6'-phosphate - 70680273 - - 1-(3-Methoxy-4-hydroxyphenyl)-4-undecene-3-one - 44459413 - - 5beta-Cholestane-3alpha,7alpha,24,26-tetrol - 5284199 HMDB0062417 - 1-(11Z-eicosenoyl)-glycero-3-phosphate - 52929759 HMDB0062305 - Artoindonesianin X - 10253008 - - 6-{[(1R,16S)-5,7-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131833874 HMDB0127536 - Starch acetate - 19958317 HMDB0029891 - 1-[(4aR,5R,7S,8aS)-5-[[(1R,2S,5R,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone - 10672482 - - Glycylserylarginine - 18221127 - - Carnitine C13:1 - 139920227 - - Poly-g-D-glutamate - 53477778 HMDB0004135 C05723 Hebevinoside I - 53462729 HMDB0035312 - Histidyltryptophylarginine - 18221547 - - Methymycin(1+) - 86289218 - - Narbomycin(1+) - 72715793 - - 1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine - 24778664 HMDB0007940 C00157 4-Hydroxy-3-all-trans-heptaprenylbenzoate - 54740346 - - 3,8'-Biflaviolin - 25164057 - C18014 CB-5083 - 73051434 - - 1-(1Z-hexadecenyl)-2-hexadecanoyl-glycero-3-phosphoethanolamine - 52925046 HMDB0011158 C04756 Asparaginyl-Lysine - 21451266 HMDB0028736 - Leu-Tyr-Thr-Lys - - - - Ala-Arg-Gln-Ala-Leu - - - - Ile-Arg-Ser-Gln-Val - - - - Leu-Arg-Thr-Gln-Val - - - - Thr-Phe-Leu-Arg - - - - Thr-Phe-Val-Arg - - - - Ala-His-Val-Asp - - - - Lys-Leu-Arg-Val-Asp - - - - Phe-Ala-Arg-Gln-Lys - - - - Thr-Lys-Ser-Lys - - - - Arg-Asn-Ile-Val-Ala - - - - Ile-Leu-Ser-Arg - - - - Met-Lys-Pro-Leu-Val - - - - Arg-Ile-Phe-Lys - - - - Val-His-Glu-Lys-Ala - - - - Ala-Ile-Gln-Arg-Thr - - - - Asp-Val-Ala-Arg - - - - Val-Asp-Pro-Val-Asn - - - - Leu-His-Phe-Lys - - - - Leu-Gly-Asp-Val-Ile - - - - 1,2-Dipalmitoyl-sn-glycerol - 644078 HMDB0007098 C00165 Ile-Val-Ile-Phe-Asn - - - - Phe-Thr-Arg-Lys - - - - Ser-Lys-Phe-Leu-Lys - - - - Ser-Leu-Leu-Ser-Phe - - - - Pro-Glu-Glu-Leu-Gly - - - - Val-Thr-Arg-Arg - - - - Ala-His-Phe-Asp - - - - Lys-Glu-Phe-Lys - - - - Leu-Val-Val-Val-Asp - - - - Thr-His-Ile-Arg - - - - CAY10631 - - - - Ala-Asn-His-Asp - - - - Asp-Arg-Asn-Lys - - - - Pro-Phe-Met-Thr-Gly - - - - Thr-Asn-Asp-Lys - - - - Val-Tyr-Pro-Glu-Leu - - - - Ile-Leu-Glu-Asn-Gly - - - - Pro-Asp-Thr-Gly-Ile - - - - Lys-Gly-Gln-Lys-Val - - - - JWH 015-d7 - 53394756 - - Neu5Ac2-6Gal1-4GlcNAcSp - - - - Lys-TyrMe-OH - - - - Phe-Glu-His-Asp - - - - Thr-Ser-Arg-Ile-Ile - - - - Ser-Pro-Ala-Ile-Asn - - - - His-Thr-Phe-Cys-Ala - - - - C11H18N2O5S2 - - - D02901 Asn-Gln-His-Arg - - - - [(2S)-3-dodecanoyloxy-2-hexadecanoyloxypropyl] hexadecanoate - 101627647 HMDB0095566 C00422 (10R,11S,13R,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde - 24758425 - - (5S,8R,9S,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one - 23724578 - - 1,3-Digamma linolenin - 25260623 HMDB0056296 C00641 1-Palmitoyl-3-docosahexaenoyl-sn-glycerol - 131801757 HMDB0056035 C00641 1-Myristoleoyl-3-eicsoatetraenoyl-sn-glycerol - 131801862 HMDB0056152 C00641 1-Palmitoleoyl-3-docosahexaenoyl-sn-glycerol - 131801886 HMDB0056176 C00641 5,9:6,9-Diepoxy-3-megastigmene - 73817712 HMDB0037776 - 1-Pentadecanoyl-2-lignoceroyl-sn-glycerol - 53478022 HMDB0007093 C00641 TG(14:0/22:1(13Z)/14:1(9Z)) - 131753595 HMDB0042458 C00422 S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanethioate - 71448916 HMDB0011113 - 1-Vaccenoyl-2-arachidonyl-sn-glycerol - 53478069 HMDB0007194 C00641 TG(10:0/15:0/i-14:0) - 131778163 HMDB0071357 C00422 ENINPLSK/2_0 - - - - [Met5,Arg6] Enkephalin-Arg - - - - PS(DiMe(11,3)/DiMe(9,3)) - 134159852 HMDB0061555 - Thr-Ile-Asp-Phe-Glu - - - - TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) - 56938379 HMDB0047759 C00422 NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside - 44715815 - - D-Mannitol 1-hexadecanoate - 54178080 - - AFN911 - 131750717 HMDB0013863 - (2e,4e,8z)-2'-hydroxy-N-isobutyl-2,4,8-tetradecatrienamide - 5316694 - - (2R)-3-{(2R)-4-[{(1S,2R,4aS,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoic acid - 54683155 - - Arg-Gln-Ser-Lys - - - - (1S,2S,6R,7S,9R,10R,11R)-1,4,4-trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diol - 11032432 - - TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) - 9544434 HMDB0052749 C00422 Ala-Pro-Ala-Tyr-Ser - - - - Unii-WZ5U45K71V - 91827106 HMDB0060584 - TG(16:0/24:1(15Z)/o-18:0) - 131755316 HMDB0044248 C00422 Locustachykinin I - - - - 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) - 86289646 - - Arg-Val-Phe-Asp-Lys - - - - Leu-Tyr-Val-Lys - - - - METABOLITES_END #END