#METABOLOMICS WORKBENCH JunDing_20210725_171917_mwtab.txt DATATRACK_ID:2770 STUDY_ID:ST001888 ANALYSIS_ID:AN003057 PROJECT_ID:000000 VERSION 1 CREATED_ON August 2, 2021, 10:21 am #PROJECT PR:PROJECT_TITLE A Metabolome Atlas of the Aging Mouse Brain (Study part II) PR:PROJECT_SUMMARY The mammalian brain relies on neurochemistry to fulfill its functions. Yet, the PR:PROJECT_SUMMARY complexity of the brain metabolome and its changes during diseases or aging PR:PROJECT_SUMMARY remains poorly understood. To start bridging this gap, we generated a metabolome PR:PROJECT_SUMMARY atlas of the aging wildtype male and female mouse brain from 10 anatomical PR:PROJECT_SUMMARY regions spanning from adolescence to old age. We combined data from three PR:PROJECT_SUMMARY chromatography-based mass spectrometry assays and structurally annotated 1,547 PR:PROJECT_SUMMARY metabolites to reveal the underlying architecture of aging-induced changes in PR:PROJECT_SUMMARY the brain metabolome. Overall differences between sexes were minimal. We found PR:PROJECT_SUMMARY 99% of all metabolites to significantly differ between brain regions in at least PR:PROJECT_SUMMARY one age group. We also discovered that 97% of the metabolome showed significant PR:PROJECT_SUMMARY changes with respect to age groups. For example, we identified a shift in PR:PROJECT_SUMMARY sphingolipid patterns during aging that is related to myelin remodeling in the PR:PROJECT_SUMMARY transition from adolescent to aging brains. This shift was accompanied by large PR:PROJECT_SUMMARY changes in overall signature in a range of other metabolic pathways. We found PR:PROJECT_SUMMARY clear metabolic similarities in brain regions that were functionally related PR:PROJECT_SUMMARY such as brain stem, cerebrum and cerebellum. In cerebrum, metabolic correlation PR:PROJECT_SUMMARY patterns got markedly weaker in the transition from adolescent to adulthood, PR:PROJECT_SUMMARY whereas the overall correlation patterns between all regions reflected a PR:PROJECT_SUMMARY decreased brain segregation at old age. We were also able to map metabolic PR:PROJECT_SUMMARY changes to gene and protein brain atlases to link molecular changes to metabolic PR:PROJECT_SUMMARY brain phenotypes. Metabolic profiles can be investigated via PR:PROJECT_SUMMARY https://mouse.atlas.metabolomics.us/. This new resource enables brain PR:PROJECT_SUMMARY researchers to link new metabolomic studies to a foundation data set. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome Center PR:LABORATORY West Coast Metabolomics Center PR:LAST_NAME Ding PR:FIRST_NAME Jun PR:ADDRESS 451 East Health Science Drive, Davis, CA, 95616, USA PR:EMAIL junding@ucdavis.edu PR:PHONE 773-326-5420 PR:FUNDING_SOURCE NIH U2C ES030158, U19 AG023122, and NIH UM1 OD023221 #STUDY ST:STUDY_TITLE A Metabolome Atlas of the Aging Mouse Brain (Study part II) ST:STUDY_SUMMARY The mammalian brain relies on neurochemistry to fulfill its functions. Yet, the ST:STUDY_SUMMARY complexity of the brain metabolome and its changes during diseases or aging ST:STUDY_SUMMARY remains poorly understood. To start bridging this gap, we generated a metabolome ST:STUDY_SUMMARY atlas of the aging wildtype male and female mouse brain from 10 anatomical ST:STUDY_SUMMARY regions spanning from adolescence to old age. We combined data from three ST:STUDY_SUMMARY chromatography-based mass spectrometry assays and structurally annotated 1,547 ST:STUDY_SUMMARY metabolites to reveal the underlying architecture of aging-induced changes in ST:STUDY_SUMMARY the brain metabolome. Overall differences between sexes were minimal. We found ST:STUDY_SUMMARY 99% of all metabolites to significantly differ between brain regions in at least ST:STUDY_SUMMARY one age group. We also discovered that 97% of the metabolome showed significant ST:STUDY_SUMMARY changes with respect to age groups. For example, we identified a shift in ST:STUDY_SUMMARY sphingolipid patterns during aging that is related to myelin remodeling in the ST:STUDY_SUMMARY transition from adolescent to aging brains. This shift was accompanied by large ST:STUDY_SUMMARY changes in overall signature in a range of other metabolic pathways. We found ST:STUDY_SUMMARY clear metabolic similarities in brain regions that were functionally related ST:STUDY_SUMMARY such as brain stem, cerebrum and cerebellum. In cerebrum, metabolic correlation ST:STUDY_SUMMARY patterns got markedly weaker in the transition from adolescent to adulthood, ST:STUDY_SUMMARY whereas the overall correlation patterns between all regions reflected a ST:STUDY_SUMMARY decreased brain segregation at old age. We were also able to map metabolic ST:STUDY_SUMMARY changes to gene and protein brain atlases to link molecular changes to metabolic ST:STUDY_SUMMARY brain phenotypes. Metabolic profiles can be investigated via ST:STUDY_SUMMARY https://mouse.atlas.metabolomics.us/. This new resource enables brain ST:STUDY_SUMMARY researchers to link new metabolomic studies to a foundation data set. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome Center ST:LABORATORY West Coast Metabolomics Center ST:LAST_NAME Ding ST:FIRST_NAME Jun ST:ADDRESS 451 East Health Science Drive, Davis, CA, 95616, USA ST:EMAIL junding@ucdavis.edu ST:PHONE 773-326-5420 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6NCrl SU:AGE_OR_AGE_RANGE 92 weeks old SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 900483-009-001 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding133_MX591555_posHILIC_900483-009-001; Ding133_MX591555_negHILIC_900483-009-001=Ding133_MX591555_negHILIC_900483-009-001; Ding120_MX591366_posCSH_900483-009-001=Ding120_MX591366_posCSH_900483-009-001; Ding120_MX591366_negCSH_900483-009-001=Ding120_MX591366_negCSH_900483-009-001; 210427bmgsa32_1=210427bmgsa32_1 SUBJECT_SAMPLE_FACTORS - 900483-009-002 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding121_MX591555_posHILIC_900483-009-002; Ding133_MX591555_negHILIC_900483-009-001=Ding121_MX591555_negHILIC_900483-009-002; Ding120_MX591366_posCSH_900483-009-001=Ding064_MX591366_posCSH_900483-009-002; Ding120_MX591366_negCSH_900483-009-001=Ding064_MX591366_negCSH_900483-009-002; 210427bmgsa32_1=210428bmgsa50_1 SUBJECT_SAMPLE_FACTORS - 900483-009-003 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding027_MX591555_posHILIC_900483-009-003; Ding133_MX591555_negHILIC_900483-009-001=Ding027_MX591555_negHILIC_900483-009-003; Ding120_MX591366_posCSH_900483-009-001=Ding028_MX591366_posCSH_900483-009-003; Ding120_MX591366_negCSH_900483-009-001=Ding028_MX591366_negCSH_900483-009-003; 210427bmgsa32_1=210428bmgsa31_1 SUBJECT_SAMPLE_FACTORS - 900483-009-004 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding034_MX591555_posHILIC_900483-009-004; Ding133_MX591555_negHILIC_900483-009-001=Ding034_MX591555_negHILIC_900483-009-004; Ding120_MX591366_posCSH_900483-009-001=Ding122_MX591366_posCSH_900483-009-004; Ding120_MX591366_negCSH_900483-009-001=Ding122_MX591366_negCSH_900483-009-004; 210427bmgsa32_1=210426bmgsa15_1 SUBJECT_SAMPLE_FACTORS - 900483-009-005 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding150_MX591555_posHILIC_900483-009-005; Ding133_MX591555_negHILIC_900483-009-001=Ding150_MX591555_negHILIC_900483-009-005; Ding120_MX591366_posCSH_900483-009-001=Ding111_MX591366_posCSH_900483-009-005; Ding120_MX591366_negCSH_900483-009-001=Ding111_MX591366_negCSH_900483-009-005; 210427bmgsa32_1=210428bmgsa41_1 SUBJECT_SAMPLE_FACTORS - 900483-009-006 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding169_MX591555_posHILIC_900483-009-006; Ding133_MX591555_negHILIC_900483-009-001=Ding169_MX591555_negHILIC_900483-009-006; Ding120_MX591366_posCSH_900483-009-001=Ding013_MX591366_posCSH_900483-009-006; Ding120_MX591366_negCSH_900483-009-001=Ding013_MX591366_negCSH_900483-009-006; 210427bmgsa32_1=210426bmgsa26_1 SUBJECT_SAMPLE_FACTORS - 900483-009-007 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding064_MX591555_posHILIC_900483-009-007; Ding133_MX591555_negHILIC_900483-009-001=Ding064_MX591555_negHILIC_900483-009-007; Ding120_MX591366_posCSH_900483-009-001=Ding006_MX591366_posCSH_900483-009-007; Ding120_MX591366_negCSH_900483-009-001=Ding006_MX591366_negCSH_900483-009-007; 210427bmgsa32_1=210426bmgsa17_1 SUBJECT_SAMPLE_FACTORS - 900483-009-008 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding106_MX591555_posHILIC_900483-009-008; Ding133_MX591555_negHILIC_900483-009-001=Ding106_MX591555_negHILIC_900483-009-008; Ding120_MX591366_posCSH_900483-009-001=Ding130_MX591366_posCSH_900483-009-008; Ding120_MX591366_negCSH_900483-009-001=Ding130_MX591366_negCSH_900483-009-008; 210427bmgsa32_1=210427bmgsa48_1 SUBJECT_SAMPLE_FACTORS - 900483-009-009 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding071_MX591555_posHILIC_900483-009-009; Ding133_MX591555_negHILIC_900483-009-001=Ding071_MX591555_negHILIC_900483-009-009; Ding120_MX591366_posCSH_900483-009-001=Ding099_MX591366_posCSH_900483-009-009; Ding120_MX591366_negCSH_900483-009-001=Ding099_MX591366_negCSH_900483-009-009; 210427bmgsa32_1=210428bmgsa06_1 SUBJECT_SAMPLE_FACTORS - 900483-009-011 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding019_MX591555_posHILIC_900483-009-011; Ding133_MX591555_negHILIC_900483-009-001=Ding019_MX591555_negHILIC_900483-009-011; Ding120_MX591366_posCSH_900483-009-001=Ding140_MX591366_posCSH_900483-009-011; Ding120_MX591366_negCSH_900483-009-001=Ding140_MX591366_negCSH_900483-009-011; 210427bmgsa32_1=210428bmgsa24_1 SUBJECT_SAMPLE_FACTORS - 900483-009-089 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding028_MX591555_posHILIC_900483-009-089; Ding133_MX591555_negHILIC_900483-009-001=Ding028_MX591555_negHILIC_900483-009-089; Ding120_MX591366_posCSH_900483-009-001=Ding068_MX591366_posCSH_900483-009-089; Ding120_MX591366_negCSH_900483-009-001=Ding068_MX591366_negCSH_900483-009-089; 210427bmgsa32_1=210427bmgsa37_1 SUBJECT_SAMPLE_FACTORS - 900483-009-090 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding016_MX591555_posHILIC_900483-009-090; Ding133_MX591555_negHILIC_900483-009-001=Ding016_MX591555_negHILIC_900483-009-090; Ding120_MX591366_posCSH_900483-009-001=Ding146_MX591366_posCSH_900483-009-090; Ding120_MX591366_negCSH_900483-009-001=Ding146_MX591366_negCSH_900483-009-090; 210427bmgsa32_1=210429bmgsa05_1 SUBJECT_SAMPLE_FACTORS - 900483-009-091 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding110_MX591555_posHILIC_900483-009-091; Ding133_MX591555_negHILIC_900483-009-001=Ding110_MX591555_negHILIC_900483-009-091; Ding120_MX591366_posCSH_900483-009-001=Ding087_MX591366_posCSH_900483-009-091; Ding120_MX591366_negCSH_900483-009-001=Ding087_MX591366_negCSH_900483-009-091; 210427bmgsa32_1=210428bmgsa29_1 SUBJECT_SAMPLE_FACTORS - 900483-009-092 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding052_MX591555_posHILIC_900483-009-092; Ding133_MX591555_negHILIC_900483-009-001=Ding052_MX591555_negHILIC_900483-009-092; Ding120_MX591366_posCSH_900483-009-001=Ding003_MX591366_posCSH_900483-009-092; Ding120_MX591366_negCSH_900483-009-001=Ding003_MX591366_negCSH_900483-009-092; 210427bmgsa32_1=210427bmgsa41_1 SUBJECT_SAMPLE_FACTORS - 900483-009-093 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding112_MX591555_posHILIC_900483-009-093; Ding133_MX591555_negHILIC_900483-009-001=Ding112_MX591555_negHILIC_900483-009-093; Ding120_MX591366_posCSH_900483-009-001=Ding051_MX591366_posCSH_900483-009-093; Ding120_MX591366_negCSH_900483-009-001=Ding051_MX591366_negCSH_900483-009-093; 210427bmgsa32_1=210428bmgsa42_1 SUBJECT_SAMPLE_FACTORS - 900483-009-094 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding161_MX591555_posHILIC_900483-009-094; Ding133_MX591555_negHILIC_900483-009-001=Ding161_MX591555_negHILIC_900483-009-094; Ding120_MX591366_posCSH_900483-009-001=Ding084_MX591366_posCSH_900483-009-094; Ding120_MX591366_negCSH_900483-009-001=Ding084_MX591366_negCSH_900483-009-094; 210427bmgsa32_1=210428bmgsa22_1 SUBJECT_SAMPLE_FACTORS - 900483-009-095 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding036_MX591555_posHILIC_900483-009-095; Ding133_MX591555_negHILIC_900483-009-001=Ding036_MX591555_negHILIC_900483-009-095; Ding120_MX591366_posCSH_900483-009-001=Ding108_MX591366_posCSH_900483-009-095; Ding120_MX591366_negCSH_900483-009-001=Ding108_MX591366_negCSH_900483-009-095; 210427bmgsa32_1=210429bmgsa13_1 SUBJECT_SAMPLE_FACTORS - 900483-009-096 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding080_MX591555_posHILIC_900483-009-096; Ding133_MX591555_negHILIC_900483-009-001=Ding080_MX591555_negHILIC_900483-009-096; Ding120_MX591366_posCSH_900483-009-001=Ding129_MX591366_posCSH_900483-009-096; Ding120_MX591366_negCSH_900483-009-001=Ding129_MX591366_negCSH_900483-009-096; 210427bmgsa32_1=210426bmgsa08_1 SUBJECT_SAMPLE_FACTORS - 900483-009-097 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding126_MX591555_posHILIC_900483-009-097; Ding133_MX591555_negHILIC_900483-009-001=Ding126_MX591555_negHILIC_900483-009-097; Ding120_MX591366_posCSH_900483-009-001=Ding109_MX591366_posCSH_900483-009-097; Ding120_MX591366_negCSH_900483-009-001=Ding109_MX591366_negCSH_900483-009-097; 210427bmgsa32_1=210426bmgsa09_1 SUBJECT_SAMPLE_FACTORS - 900483-009-099 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding043_MX591555_posHILIC_900483-009-099; Ding133_MX591555_negHILIC_900483-009-001=Ding043_MX591555_negHILIC_900483-009-099; Ding120_MX591366_posCSH_900483-009-001=Ding162_MX591366_posCSH_900483-009-099; Ding120_MX591366_negCSH_900483-009-001=Ding162_MX591366_negCSH_900483-009-099; 210427bmgsa32_1=210426bmgsa24_1 SUBJECT_SAMPLE_FACTORS - 900483-010-012 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding050_MX591555_posHILIC_900483-010-012; Ding133_MX591555_negHILIC_900483-009-001=Ding050_MX591555_negHILIC_900483-010-012; Ding120_MX591366_posCSH_900483-009-001=Ding098_MX591366_posCSH_900483-010-012; Ding120_MX591366_negCSH_900483-009-001=Ding098_MX591366_negCSH_900483-010-012; 210427bmgsa32_1=210426bmgsa20_1 SUBJECT_SAMPLE_FACTORS - 900483-010-013 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding008_MX591555_posHILIC_900483-010-013; Ding133_MX591555_negHILIC_900483-009-001=Ding008_MX591555_negHILIC_900483-010-013; Ding120_MX591366_posCSH_900483-009-001=Ding081_MX591366_posCSH_900483-010-013; Ding120_MX591366_negCSH_900483-009-001=Ding081_MX591366_negCSH_900483-010-013; 210427bmgsa32_1=210426bmgsa34_1 SUBJECT_SAMPLE_FACTORS - 900483-010-014 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding063_MX591555_posHILIC_900483-010-014; Ding133_MX591555_negHILIC_900483-009-001=Ding063_MX591555_negHILIC_900483-010-014; Ding120_MX591366_posCSH_900483-009-001=Ding019_MX591366_posCSH_900483-010-014; Ding120_MX591366_negCSH_900483-009-001=Ding019_MX591366_negCSH_900483-010-014; 210427bmgsa32_1=210429bmgsa03_1 SUBJECT_SAMPLE_FACTORS - 900483-010-015 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding031_MX591555_posHILIC_900483-010-015; Ding133_MX591555_negHILIC_900483-009-001=Ding031_MX591555_negHILIC_900483-010-015; Ding120_MX591366_posCSH_900483-009-001=Ding151_MX591366_posCSH_900483-010-015; Ding120_MX591366_negCSH_900483-009-001=Ding151_MX591366_negCSH_900483-010-015; 210427bmgsa32_1=210427bmgsa08_1 SUBJECT_SAMPLE_FACTORS - 900483-010-016 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding010_MX591555_posHILIC_900483-010-016; Ding133_MX591555_negHILIC_900483-009-001=Ding010_MX591555_negHILIC_900483-010-016; Ding120_MX591366_posCSH_900483-009-001=Ding048_MX591366_posCSH_900483-010-016; Ding120_MX591366_negCSH_900483-009-001=Ding048_MX591366_negCSH_900483-010-016; 210427bmgsa32_1=210428bmgsa46_1 SUBJECT_SAMPLE_FACTORS - 900483-010-017 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding075_MX591555_posHILIC_900483-010-017; Ding133_MX591555_negHILIC_900483-009-001=Ding075_MX591555_negHILIC_900483-010-017; Ding120_MX591366_posCSH_900483-009-001=Ding082_MX591366_posCSH_900483-010-017; Ding120_MX591366_negCSH_900483-009-001=Ding082_MX591366_negCSH_900483-010-017; 210427bmgsa32_1=210429bmgsa20_1 SUBJECT_SAMPLE_FACTORS - 900483-010-018 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding023_MX591555_posHILIC_900483-010-018; Ding133_MX591555_negHILIC_900483-009-001=Ding023_MX591555_negHILIC_900483-010-018; Ding120_MX591366_posCSH_900483-009-001=Ding008_MX591366_posCSH_900483-010-018; Ding120_MX591366_negCSH_900483-009-001=Ding008_MX591366_negCSH_900483-010-018; 210427bmgsa32_1=210427bmgsa09_1 SUBJECT_SAMPLE_FACTORS - 900483-010-019 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding051_MX591555_posHILIC_900483-010-019; Ding133_MX591555_negHILIC_900483-009-001=Ding051_MX591555_negHILIC_900483-010-019; Ding120_MX591366_posCSH_900483-009-001=Ding020_MX591366_posCSH_900483-010-019; Ding120_MX591366_negCSH_900483-009-001=Ding020_MX591366_negCSH_900483-010-019; 210427bmgsa32_1=210428bmgsa25_1 SUBJECT_SAMPLE_FACTORS - 900483-010-020 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding140_MX591555_posHILIC_900483-010-020; Ding133_MX591555_negHILIC_900483-009-001=Ding140_MX591555_negHILIC_900483-010-020; Ding120_MX591366_posCSH_900483-009-001=Ding035_MX591366_posCSH_900483-010-020; Ding120_MX591366_negCSH_900483-009-001=Ding035_MX591366_negCSH_900483-010-020; 210427bmgsa32_1=210428bmgsa37_1 SUBJECT_SAMPLE_FACTORS - 900483-010-022 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding174_MX591555_posHILIC_900483-010-022; Ding133_MX591555_negHILIC_900483-009-001=Ding174_MX591555_negHILIC_900483-010-022; Ding120_MX591366_posCSH_900483-009-001=Ding145_MX591366_posCSH_900483-010-022; Ding120_MX591366_negCSH_900483-009-001=Ding145_MX591366_negCSH_900483-010-022; 210427bmgsa32_1=210428bmgsa09_1 SUBJECT_SAMPLE_FACTORS - 900483-010-100 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding037_MX591555_posHILIC_900483-010-100; Ding133_MX591555_negHILIC_900483-009-001=Ding037_MX591555_negHILIC_900483-010-100; Ding120_MX591366_posCSH_900483-009-001=Ding094_MX591366_posCSH_900483-010-100; Ding120_MX591366_negCSH_900483-009-001=Ding094_MX591366_negCSH_900483-010-100; 210427bmgsa32_1=210429bmgsa18_1 SUBJECT_SAMPLE_FACTORS - 900483-010-101 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding128_MX591555_posHILIC_900483-010-101; Ding133_MX591555_negHILIC_900483-009-001=Ding128_MX591555_negHILIC_900483-010-101; Ding120_MX591366_posCSH_900483-009-001=Ding023_MX591366_posCSH_900483-010-101; Ding120_MX591366_negCSH_900483-009-001=Ding023_MX591366_negCSH_900483-010-101; 210427bmgsa32_1=210427bmgsa15_1 SUBJECT_SAMPLE_FACTORS - 900483-010-102 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding129_MX591555_posHILIC_900483-010-102; Ding133_MX591555_negHILIC_900483-009-001=Ding129_MX591555_negHILIC_900483-010-102; Ding120_MX591366_posCSH_900483-009-001=Ding104_MX591366_posCSH_900483-010-102; Ding120_MX591366_negCSH_900483-009-001=Ding104_MX591366_negCSH_900483-010-102; 210427bmgsa32_1=210429bmgsa16_1 SUBJECT_SAMPLE_FACTORS - 900483-010-103 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding081_MX591555_posHILIC_900483-010-103; Ding133_MX591555_negHILIC_900483-009-001=Ding081_MX591555_negHILIC_900483-010-103; Ding120_MX591366_posCSH_900483-009-001=Ding086_MX591366_posCSH_900483-010-103; Ding120_MX591366_negCSH_900483-009-001=Ding086_MX591366_negCSH_900483-010-103; 210427bmgsa32_1=210427bmgsa39_1 SUBJECT_SAMPLE_FACTORS - 900483-010-104 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding160_MX591555_posHILIC_900483-010-104; Ding133_MX591555_negHILIC_900483-009-001=Ding160_MX591555_negHILIC_900483-010-104; Ding120_MX591366_posCSH_900483-009-001=Ding105_MX591366_posCSH_900483-010-104; Ding120_MX591366_negCSH_900483-009-001=Ding105_MX591366_negCSH_900483-010-104; 210427bmgsa32_1=210428bmgsa23_1 SUBJECT_SAMPLE_FACTORS - 900483-010-105 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding072_MX591555_posHILIC_900483-010-105; Ding133_MX591555_negHILIC_900483-009-001=Ding072_MX591555_negHILIC_900483-010-105; Ding120_MX591366_posCSH_900483-009-001=Ding043_MX591366_posCSH_900483-010-105; Ding120_MX591366_negCSH_900483-009-001=Ding043_MX591366_negCSH_900483-010-105; 210427bmgsa32_1=210429bmgsa07_1 SUBJECT_SAMPLE_FACTORS - 900483-010-106 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding070_MX591555_posHILIC_900483-010-106; Ding133_MX591555_negHILIC_900483-009-001=Ding070_MX591555_negHILIC_900483-010-106; Ding120_MX591366_posCSH_900483-009-001=Ding127_MX591366_posCSH_900483-010-106; Ding120_MX591366_negCSH_900483-009-001=Ding127_MX591366_negCSH_900483-010-106; 210427bmgsa32_1=210426bmgsa22_1 SUBJECT_SAMPLE_FACTORS - 900483-010-107 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding091_MX591555_posHILIC_900483-010-107; Ding133_MX591555_negHILIC_900483-009-001=Ding091_MX591555_negHILIC_900483-010-107; Ding120_MX591366_posCSH_900483-009-001=Ding154_MX591366_posCSH_900483-010-107; Ding120_MX591366_negCSH_900483-009-001=Ding154_MX591366_negCSH_900483-010-107; 210427bmgsa32_1=210426bmgsa27_1 SUBJECT_SAMPLE_FACTORS - 900483-010-108 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding061_MX591555_posHILIC_900483-010-108; Ding133_MX591555_negHILIC_900483-009-001=Ding061_MX591555_negHILIC_900483-010-108; Ding120_MX591366_posCSH_900483-009-001=Ding038_MX591366_posCSH_900483-010-108; Ding120_MX591366_negCSH_900483-009-001=Ding038_MX591366_negCSH_900483-010-108; 210427bmgsa32_1=210427bmgsa30_1 SUBJECT_SAMPLE_FACTORS - 900483-010-110 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding053_MX591555_posHILIC_900483-010-110; Ding133_MX591555_negHILIC_900483-009-001=Ding053_MX591555_negHILIC_900483-010-110; Ding120_MX591366_posCSH_900483-009-001=Ding090_MX591366_posCSH_900483-010-110; Ding120_MX591366_negCSH_900483-009-001=Ding090_MX591366_negCSH_900483-010-110; 210427bmgsa32_1=210427bmgsa44_1 SUBJECT_SAMPLE_FACTORS - 900483-011-023 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding166_MX591555_posHILIC_900483-011-023; Ding133_MX591555_negHILIC_900483-009-001=Ding166_MX591555_negHILIC_900483-011-023; Ding120_MX591366_posCSH_900483-009-001=Ding063_MX591366_posCSH_900483-011-023; Ding120_MX591366_negCSH_900483-009-001=Ding063_MX591366_negCSH_900483-011-023; 210427bmgsa32_1=210428bmgsa39_2 SUBJECT_SAMPLE_FACTORS - 900483-011-024 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding155_MX591555_posHILIC_900483-011-024; Ding133_MX591555_negHILIC_900483-009-001=Ding155_MX591555_negHILIC_900483-011-024; Ding120_MX591366_posCSH_900483-009-001=Ding171_MX591366_posCSH_900483-011-024; Ding120_MX591366_negCSH_900483-009-001=Ding171_MX591366_negCSH_900483-011-024; 210427bmgsa32_1=210429bmgsa26_1 SUBJECT_SAMPLE_FACTORS - 900483-011-025 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding175_MX591555_posHILIC_900483-011-025; Ding133_MX591555_negHILIC_900483-009-001=Ding175_MX591555_negHILIC_900483-011-025; Ding120_MX591366_posCSH_900483-009-001=Ding144_MX591366_posCSH_900483-011-025; Ding120_MX591366_negCSH_900483-009-001=Ding144_MX591366_negCSH_900483-011-025; 210427bmgsa32_1=210428bmgsa07_1 SUBJECT_SAMPLE_FACTORS - 900483-011-026 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding123_MX591555_posHILIC_900483-011-026; Ding133_MX591555_negHILIC_900483-009-001=Ding123_MX591555_negHILIC_900483-011-026; Ding120_MX591366_posCSH_900483-009-001=Ding132_MX591366_posCSH_900483-011-026; Ding120_MX591366_negCSH_900483-009-001=Ding132_MX591366_negCSH_900483-011-026; 210427bmgsa32_1=210426bmgsa06_1 SUBJECT_SAMPLE_FACTORS - 900483-011-027 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding017_MX591555_posHILIC_900483-011-027; Ding133_MX591555_negHILIC_900483-009-001=Ding017_MX591555_negHILIC_900483-011-027; Ding120_MX591366_posCSH_900483-009-001=Ding070_MX591366_posCSH_900483-011-027; Ding120_MX591366_negCSH_900483-009-001=Ding070_MX591366_negCSH_900483-011-027; 210427bmgsa32_1=210427bmgsa11_1 SUBJECT_SAMPLE_FACTORS - 900483-011-028 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding041_MX591555_posHILIC_900483-011-028; Ding133_MX591555_negHILIC_900483-009-001=Ding041_MX591555_negHILIC_900483-011-028; Ding120_MX591366_posCSH_900483-009-001=Ding071_MX591366_posCSH_900483-011-028; Ding120_MX591366_negCSH_900483-009-001=Ding071_MX591366_negCSH_900483-011-028; 210427bmgsa32_1=210426bmgsa18_1 SUBJECT_SAMPLE_FACTORS - 900483-011-029 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding143_MX591555_posHILIC_900483-011-029; Ding133_MX591555_negHILIC_900483-009-001=Ding143_MX591555_negHILIC_900483-011-029; Ding120_MX591366_posCSH_900483-009-001=Ding096_MX591366_posCSH_900483-011-029; Ding120_MX591366_negCSH_900483-009-001=Ding096_MX591366_negCSH_900483-011-029; 210427bmgsa32_1=210428bmgsa26_1 SUBJECT_SAMPLE_FACTORS - 900483-011-030 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding054_MX591555_posHILIC_900483-011-030; Ding133_MX591555_negHILIC_900483-009-001=Ding054_MX591555_negHILIC_900483-011-030; Ding120_MX591366_posCSH_900483-009-001=Ding133_MX591366_posCSH_900483-011-030; Ding120_MX591366_negCSH_900483-009-001=Ding133_MX591366_negCSH_900483-011-030; 210427bmgsa32_1=210428bmgsa04_1 SUBJECT_SAMPLE_FACTORS - 900483-011-031 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding165_MX591555_posHILIC_900483-011-031; Ding133_MX591555_negHILIC_900483-009-001=Ding165_MX591555_negHILIC_900483-011-031; Ding120_MX591366_posCSH_900483-009-001=Ding168_MX591366_posCSH_900483-011-031; Ding120_MX591366_negCSH_900483-009-001=Ding168_MX591366_negCSH_900483-011-031; 210427bmgsa32_1=210427bmgsa16_1 SUBJECT_SAMPLE_FACTORS - 900483-011-033 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding002_MX591555_posHILIC_900483-011-033; Ding133_MX591555_negHILIC_900483-009-001=Ding002_MX591555_negHILIC_900483-011-033; Ding120_MX591366_posCSH_900483-009-001=Ding148_MX591366_posCSH_900483-011-033; Ding120_MX591366_negCSH_900483-009-001=Ding148_MX591366_negCSH_900483-011-033; 210427bmgsa32_1=210426bmgsa04_1 SUBJECT_SAMPLE_FACTORS - 900483-011-111 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding095_MX591555_posHILIC_900483-011-111; Ding133_MX591555_negHILIC_900483-009-001=Ding095_MX591555_negHILIC_900483-011-111; Ding120_MX591366_posCSH_900483-009-001=Ding121_MX591366_posCSH_900483-011-111; Ding120_MX591366_negCSH_900483-009-001=Ding121_MX591366_negCSH_900483-011-111; 210427bmgsa32_1=210428bmgsa43_1 SUBJECT_SAMPLE_FACTORS - 900483-011-112 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding115_MX591555_posHILIC_900483-011-112; Ding133_MX591555_negHILIC_900483-009-001=Ding115_MX591555_negHILIC_900483-011-112; Ding120_MX591366_posCSH_900483-009-001=Ding039_MX591366_posCSH_900483-011-112; Ding120_MX591366_negCSH_900483-009-001=Ding039_MX591366_negCSH_900483-011-112; 210427bmgsa32_1=210428bmgsa35_1 SUBJECT_SAMPLE_FACTORS - 900483-011-113 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding139_MX591555_posHILIC_900483-011-113; Ding133_MX591555_negHILIC_900483-009-001=Ding139_MX591555_negHILIC_900483-011-113; Ding120_MX591366_posCSH_900483-009-001=Ding002_MX591366_posCSH_900483-011-113; Ding120_MX591366_negCSH_900483-009-001=Ding002_MX591366_negCSH_900483-011-113; 210427bmgsa32_1=210428bmgsa40_1 SUBJECT_SAMPLE_FACTORS - 900483-011-114 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding055_MX591555_posHILIC_900483-011-114; Ding133_MX591555_negHILIC_900483-009-001=Ding055_MX591555_negHILIC_900483-011-114; Ding120_MX591366_posCSH_900483-009-001=Ding141_MX591366_posCSH_900483-011-114; Ding120_MX591366_negCSH_900483-009-001=Ding141_MX591366_negCSH_900483-011-114; 210427bmgsa32_1=210428bmgsa47_1 SUBJECT_SAMPLE_FACTORS - 900483-011-115 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding005_MX591555_posHILIC_900483-011-115; Ding133_MX591555_negHILIC_900483-009-001=Ding005_MX591555_negHILIC_900483-011-115; Ding120_MX591366_posCSH_900483-009-001=Ding167_MX591366_posCSH_900483-011-115; Ding120_MX591366_negCSH_900483-009-001=Ding167_MX591366_negCSH_900483-011-115; 210427bmgsa32_1=210427bmgsa23_1 SUBJECT_SAMPLE_FACTORS - 900483-011-116 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding097_MX591555_posHILIC_900483-011-116; Ding133_MX591555_negHILIC_900483-009-001=Ding097_MX591555_negHILIC_900483-011-116; Ding120_MX591366_posCSH_900483-009-001=Ding137_MX591366_posCSH_900483-011-116; Ding120_MX591366_negCSH_900483-009-001=Ding137_MX591366_negCSH_900483-011-116; 210427bmgsa32_1=210428bmgsa45_1 SUBJECT_SAMPLE_FACTORS - 900483-011-117 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding093_MX591555_posHILIC_900483-011-117; Ding133_MX591555_negHILIC_900483-009-001=Ding093_MX591555_negHILIC_900483-011-117; Ding120_MX591366_posCSH_900483-009-001=Ding164_MX591366_posCSH_900483-011-117; Ding120_MX591366_negCSH_900483-009-001=Ding164_MX591366_negCSH_900483-011-117; 210427bmgsa32_1=210427bmgsa45_1 SUBJECT_SAMPLE_FACTORS - 900483-011-118 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding156_MX591555_posHILIC_900483-011-118; Ding133_MX591555_negHILIC_900483-009-001=Ding156_MX591555_negHILIC_900483-011-118; Ding120_MX591366_posCSH_900483-009-001=Ding114_MX591366_posCSH_900483-011-118; Ding120_MX591366_negCSH_900483-009-001=Ding114_MX591366_negCSH_900483-011-118; 210427bmgsa32_1=210426bmgsa30_1 SUBJECT_SAMPLE_FACTORS - 900483-011-119 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding173_MX591555_posHILIC_900483-011-119; Ding133_MX591555_negHILIC_900483-009-001=Ding173_MX591555_negHILIC_900483-011-119; Ding120_MX591366_posCSH_900483-009-001=Ding033_MX591366_posCSH_900483-011-119; Ding120_MX591366_negCSH_900483-009-001=Ding033_MX591366_negCSH_900483-011-119; 210427bmgsa32_1=210428bmgsa14_1 SUBJECT_SAMPLE_FACTORS - 900483-011-121 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding107_MX591555_posHILIC_900483-011-121; Ding133_MX591555_negHILIC_900483-009-001=Ding107_MX591555_negHILIC_900483-011-121; Ding120_MX591366_posCSH_900483-009-001=Ding025_MX591366_posCSH_900483-011-121; Ding120_MX591366_negCSH_900483-009-001=Ding025_MX591366_negCSH_900483-011-121; 210427bmgsa32_1=210426bmgsa25_1 SUBJECT_SAMPLE_FACTORS - 900483-012-034 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding158_MX591555_posHILIC_900483-012-034; Ding133_MX591555_negHILIC_900483-009-001=Ding158_MX591555_negHILIC_900483-012-034; Ding120_MX591366_posCSH_900483-009-001=Ding080_MX591366_posCSH_900483-012-034; Ding120_MX591366_negCSH_900483-009-001=Ding080_MX591366_negCSH_900483-012-034; 210427bmgsa32_1=210426bmgsa41_1 SUBJECT_SAMPLE_FACTORS - 900483-012-035 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding066_MX591555_posHILIC_900483-012-035; Ding133_MX591555_negHILIC_900483-009-001=Ding066_MX591555_negHILIC_900483-012-035; Ding120_MX591366_posCSH_900483-009-001=Ding152_MX591366_posCSH_900483-012-035; Ding120_MX591366_negCSH_900483-009-001=Ding152_MX591366_negCSH_900483-012-035; 210427bmgsa32_1=210427bmgsa01_1 SUBJECT_SAMPLE_FACTORS - 900483-012-036 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding105_MX591555_posHILIC_900483-012-036; Ding133_MX591555_negHILIC_900483-009-001=Ding105_MX591555_negHILIC_900483-012-036; Ding120_MX591366_posCSH_900483-009-001=Ding150_MX591366_posCSH_900483-012-036; Ding120_MX591366_negCSH_900483-009-001=Ding150_MX591366_negCSH_900483-012-036; 210427bmgsa32_1=210429bmgsa10_1 SUBJECT_SAMPLE_FACTORS - 900483-012-037 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding142_MX591555_posHILIC_900483-012-037; Ding133_MX591555_negHILIC_900483-009-001=Ding142_MX591555_negHILIC_900483-012-037; Ding120_MX591366_posCSH_900483-009-001=Ding123_MX591366_posCSH_900483-012-037; Ding120_MX591366_negCSH_900483-009-001=Ding123_MX591366_negCSH_900483-012-037; 210427bmgsa32_1=210427bmgsa43_1 SUBJECT_SAMPLE_FACTORS - 900483-012-038 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding170_MX591555_posHILIC_900483-012-038; Ding133_MX591555_negHILIC_900483-009-001=Ding170_MX591555_negHILIC_900483-012-038; Ding120_MX591366_posCSH_900483-009-001=Ding074_MX591366_posCSH_900483-012-038; Ding120_MX591366_negCSH_900483-009-001=Ding074_MX591366_negCSH_900483-012-038; 210427bmgsa32_1=210426bmgsa28_1 SUBJECT_SAMPLE_FACTORS - 900483-012-039 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding136_MX591555_posHILIC_900483-012-039; Ding133_MX591555_negHILIC_900483-009-001=Ding136_MX591555_negHILIC_900483-012-039; Ding120_MX591366_posCSH_900483-009-001=Ding056_MX591366_posCSH_900483-012-039; Ding120_MX591366_negCSH_900483-009-001=Ding056_MX591366_negCSH_900483-012-039; 210427bmgsa32_1=210427bmgsa38_1 SUBJECT_SAMPLE_FACTORS - 900483-012-040 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding145_MX591555_posHILIC_900483-012-040; Ding133_MX591555_negHILIC_900483-009-001=Ding145_MX591555_negHILIC_900483-012-040; Ding120_MX591366_posCSH_900483-009-001=Ding052_MX591366_posCSH_900483-012-040; Ding120_MX591366_negCSH_900483-009-001=Ding052_MX591366_negCSH_900483-012-040; 210427bmgsa32_1=210426bmgsa03_1 SUBJECT_SAMPLE_FACTORS - 900483-012-041 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding103_MX591555_posHILIC_900483-012-041; Ding133_MX591555_negHILIC_900483-009-001=Ding103_MX591555_negHILIC_900483-012-041; Ding120_MX591366_posCSH_900483-009-001=Ding159_MX591366_posCSH_900483-012-041; Ding120_MX591366_negCSH_900483-009-001=Ding159_MX591366_negCSH_900483-012-041; 210427bmgsa32_1=210427bmgsa05_1 SUBJECT_SAMPLE_FACTORS - 900483-012-042 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding137_MX591555_posHILIC_900483-012-042; Ding133_MX591555_negHILIC_900483-009-001=Ding137_MX591555_negHILIC_900483-012-042; Ding120_MX591366_posCSH_900483-009-001=Ding113_MX591366_posCSH_900483-012-042; Ding120_MX591366_negCSH_900483-009-001=Ding113_MX591366_negCSH_900483-012-042; 210427bmgsa32_1=210426bmgsa40_1 SUBJECT_SAMPLE_FACTORS - 900483-012-044 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding108_MX591555_posHILIC_900483-012-044; Ding133_MX591555_negHILIC_900483-009-001=Ding108_MX591555_negHILIC_900483-012-044; Ding120_MX591366_posCSH_900483-009-001=Ding012_MX591366_posCSH_900483-012-044; Ding120_MX591366_negCSH_900483-009-001=Ding012_MX591366_negCSH_900483-012-044; 210427bmgsa32_1=210427bmgsa27_1 SUBJECT_SAMPLE_FACTORS - 900483-012-122 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding120_MX591555_posHILIC_900483-012-122; Ding133_MX591555_negHILIC_900483-009-001=Ding120_MX591555_negHILIC_900483-012-122; Ding120_MX591366_posCSH_900483-009-001=Ding085_MX591366_posCSH_900483-012-122; Ding120_MX591366_negCSH_900483-009-001=Ding085_MX591366_negCSH_900483-012-122; 210427bmgsa32_1=210428bmgsa28_1 SUBJECT_SAMPLE_FACTORS - 900483-012-123 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding004_MX591555_posHILIC_900483-012-123; Ding133_MX591555_negHILIC_900483-009-001=Ding004_MX591555_negHILIC_900483-012-123; Ding120_MX591366_posCSH_900483-009-001=Ding089_MX591366_posCSH_900483-012-123; Ding120_MX591366_negCSH_900483-009-001=Ding089_MX591366_negCSH_900483-012-123; 210427bmgsa32_1=210429bmgsa14_1 SUBJECT_SAMPLE_FACTORS - 900483-012-124 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding024_MX591555_posHILIC_900483-012-124; Ding133_MX591555_negHILIC_900483-009-001=Ding024_MX591555_negHILIC_900483-012-124; Ding120_MX591366_posCSH_900483-009-001=Ding027_MX591366_posCSH_900483-012-124; Ding120_MX591366_negCSH_900483-009-001=Ding027_MX591366_negCSH_900483-012-124; 210427bmgsa32_1=210427bmgsa26_1 SUBJECT_SAMPLE_FACTORS - 900483-012-125 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding025_MX591555_posHILIC_900483-012-125; Ding133_MX591555_negHILIC_900483-009-001=Ding025_MX591555_negHILIC_900483-012-125; Ding120_MX591366_posCSH_900483-009-001=Ding079_MX591366_posCSH_900483-012-125; Ding120_MX591366_negCSH_900483-009-001=Ding079_MX591366_negCSH_900483-012-125; 210427bmgsa32_1=210426bmgsa01_1 SUBJECT_SAMPLE_FACTORS - 900483-012-126 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding062_MX591555_posHILIC_900483-012-126; Ding133_MX591555_negHILIC_900483-009-001=Ding062_MX591555_negHILIC_900483-012-126; Ding120_MX591366_posCSH_900483-009-001=Ding163_MX591366_posCSH_900483-012-126; Ding120_MX591366_negCSH_900483-009-001=Ding163_MX591366_negCSH_900483-012-126; 210427bmgsa32_1=210429bmgsa25_1 SUBJECT_SAMPLE_FACTORS - 900483-012-127 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding038_MX591555_posHILIC_900483-012-127; Ding133_MX591555_negHILIC_900483-009-001=Ding038_MX591555_negHILIC_900483-012-127; Ding120_MX591366_posCSH_900483-009-001=Ding172_MX591366_posCSH_900483-012-127; Ding120_MX591366_negCSH_900483-009-001=Ding172_MX591366_negCSH_900483-012-127; 210427bmgsa32_1=210429bmgsa12_1 SUBJECT_SAMPLE_FACTORS - 900483-012-128 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding079_MX591555_posHILIC_900483-012-128; Ding133_MX591555_negHILIC_900483-009-001=Ding079_MX591555_negHILIC_900483-012-128; Ding120_MX591366_posCSH_900483-009-001=Ding088_MX591366_posCSH_900483-012-128; Ding120_MX591366_negCSH_900483-009-001=Ding088_MX591366_negCSH_900483-012-128; 210427bmgsa32_1=210426bmgsa11_1 SUBJECT_SAMPLE_FACTORS - 900483-012-129 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding164_MX591555_posHILIC_900483-012-129; Ding133_MX591555_negHILIC_900483-009-001=Ding164_MX591555_negHILIC_900483-012-129; Ding120_MX591366_posCSH_900483-009-001=Ding050_MX591366_posCSH_900483-012-129; Ding120_MX591366_negCSH_900483-009-001=Ding050_MX591366_negCSH_900483-012-129; 210427bmgsa32_1=210427bmgsa29_1 SUBJECT_SAMPLE_FACTORS - 900483-012-130 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding069_MX591555_posHILIC_900483-012-130; Ding133_MX591555_negHILIC_900483-009-001=Ding069_MX591555_negHILIC_900483-012-130; Ding120_MX591366_posCSH_900483-009-001=Ding143_MX591366_posCSH_900483-012-130; Ding120_MX591366_negCSH_900483-009-001=Ding143_MX591366_negCSH_900483-012-130; 210427bmgsa32_1=210428bmgsa13_1 SUBJECT_SAMPLE_FACTORS - 900483-012-132 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding124_MX591555_posHILIC_900483-012-132; Ding133_MX591555_negHILIC_900483-009-001=Ding124_MX591555_negHILIC_900483-012-132; Ding120_MX591366_posCSH_900483-009-001=Ding055_MX591366_posCSH_900483-012-132; Ding120_MX591366_negCSH_900483-009-001=Ding055_MX591366_negCSH_900483-012-132; 210427bmgsa32_1=210428bmgsa12_1 SUBJECT_SAMPLE_FACTORS - 900483-013-045 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding084_MX591555_posHILIC_900483-013-045; Ding133_MX591555_negHILIC_900483-009-001=Ding084_MX591555_negHILIC_900483-013-045; Ding120_MX591366_posCSH_900483-009-001=Ding059_MX591366_posCSH_900483-013-045; Ding120_MX591366_negCSH_900483-009-001=Ding059_MX591366_negCSH_900483-013-045; 210427bmgsa32_1=210426bmgsa21_1 SUBJECT_SAMPLE_FACTORS - 900483-013-046 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding076_MX591555_posHILIC_900483-013-046; Ding133_MX591555_negHILIC_900483-009-001=Ding076_MX591555_negHILIC_900483-013-046; Ding120_MX591366_posCSH_900483-009-001=Ding176_MX591366_posCSH_900483-013-046; Ding120_MX591366_negCSH_900483-009-001=Ding176_MX591366_negCSH_900483-013-046; 210427bmgsa32_1=210426bmgsa02_2 SUBJECT_SAMPLE_FACTORS - 900483-013-047 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding067_MX591555_posHILIC_900483-013-047; Ding133_MX591555_negHILIC_900483-009-001=Ding067_MX591555_negHILIC_900483-013-047; Ding120_MX591366_posCSH_900483-009-001=Ding011_MX591366_posCSH_900483-013-047; Ding120_MX591366_negCSH_900483-009-001=Ding011_MX591366_negCSH_900483-013-047; 210427bmgsa32_1=210427bmgsa02_1 SUBJECT_SAMPLE_FACTORS - 900483-013-048 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding048_MX591555_posHILIC_900483-013-048; Ding133_MX591555_negHILIC_900483-009-001=Ding048_MX591555_negHILIC_900483-013-048; Ding120_MX591366_posCSH_900483-009-001=Ding128_MX591366_posCSH_900483-013-048; Ding120_MX591366_negCSH_900483-009-001=Ding128_MX591366_negCSH_900483-013-048; 210427bmgsa32_1=210427bmgsa49_1 SUBJECT_SAMPLE_FACTORS - 900483-013-049 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding157_MX591555_posHILIC_900483-013-049; Ding133_MX591555_negHILIC_900483-009-001=Ding157_MX591555_negHILIC_900483-013-049; Ding120_MX591366_posCSH_900483-009-001=Ding117_MX591366_posCSH_900483-013-049; Ding120_MX591366_negCSH_900483-009-001=Ding117_MX591366_negCSH_900483-013-049; 210427bmgsa32_1=210428bmgsa32_1 SUBJECT_SAMPLE_FACTORS - 900483-013-050 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding089_MX591555_posHILIC_900483-013-050; Ding133_MX591555_negHILIC_900483-009-001=Ding089_MX591555_negHILIC_900483-013-050; Ding120_MX591366_posCSH_900483-009-001=Ding155_MX591366_posCSH_900483-013-050; Ding120_MX591366_negCSH_900483-009-001=Ding155_MX591366_negCSH_900483-013-050; 210427bmgsa32_1=210429bmgsa17_1 SUBJECT_SAMPLE_FACTORS - 900483-013-051 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding013_MX591555_posHILIC_900483-013-051; Ding133_MX591555_negHILIC_900483-009-001=Ding013_MX591555_negHILIC_900483-013-051; Ding120_MX591366_posCSH_900483-009-001=Ding175_MX591366_posCSH_900483-013-051; Ding120_MX591366_negCSH_900483-009-001=Ding175_MX591366_negCSH_900483-013-051; 210427bmgsa32_1=210427bmgsa17_1 SUBJECT_SAMPLE_FACTORS - 900483-013-052 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding099_MX591555_posHILIC_900483-013-052; Ding133_MX591555_negHILIC_900483-009-001=Ding099_MX591555_negHILIC_900483-013-052; Ding120_MX591366_posCSH_900483-009-001=Ding139_MX591366_posCSH_900483-013-052; Ding120_MX591366_negCSH_900483-009-001=Ding139_MX591366_negCSH_900483-013-052; 210427bmgsa32_1=210429bmgsa04_1 SUBJECT_SAMPLE_FACTORS - 900483-013-053 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding020_MX591555_posHILIC_900483-013-053; Ding133_MX591555_negHILIC_900483-009-001=Ding020_MX591555_negHILIC_900483-013-053; Ding120_MX591366_posCSH_900483-009-001=Ding149_MX591366_posCSH_900483-013-053; Ding120_MX591366_negCSH_900483-009-001=Ding149_MX591366_negCSH_900483-013-053; 210427bmgsa32_1=210429bmgsa23_1 SUBJECT_SAMPLE_FACTORS - 900483-013-055 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding130_MX591555_posHILIC_900483-013-055; Ding133_MX591555_negHILIC_900483-009-001=Ding130_MX591555_negHILIC_900483-013-055; Ding120_MX591366_posCSH_900483-009-001=Ding101_MX591366_posCSH_900483-013-055; Ding120_MX591366_negCSH_900483-009-001=Ding101_MX591366_negCSH_900483-013-055; 210427bmgsa32_1=210429bmgsa02_1 SUBJECT_SAMPLE_FACTORS - 900483-013-133 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding088_MX591555_posHILIC_900483-013-133; Ding133_MX591555_negHILIC_900483-009-001=Ding088_MX591555_negHILIC_900483-013-133; Ding120_MX591366_posCSH_900483-009-001=Ding047_MX591366_posCSH_900483-013-133; Ding120_MX591366_negCSH_900483-009-001=Ding047_MX591366_negCSH_900483-013-133; 210427bmgsa32_1=210429bmgsa01_1 SUBJECT_SAMPLE_FACTORS - 900483-013-134 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding132_MX591555_posHILIC_900483-013-134; Ding133_MX591555_negHILIC_900483-009-001=Ding132_MX591555_negHILIC_900483-013-134; Ding120_MX591366_posCSH_900483-009-001=Ding016_MX591366_posCSH_900483-013-134; Ding120_MX591366_negCSH_900483-009-001=Ding016_MX591366_negCSH_900483-013-134; 210427bmgsa32_1=210426bmgsa38_1 SUBJECT_SAMPLE_FACTORS - 900483-013-135 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding033_MX591555_posHILIC_900483-013-135; Ding133_MX591555_negHILIC_900483-009-001=Ding033_MX591555_negHILIC_900483-013-135; Ding120_MX591366_posCSH_900483-009-001=Ding060_MX591366_posCSH_900483-013-135; Ding120_MX591366_negCSH_900483-009-001=Ding060_MX591366_negCSH_900483-013-135; 210427bmgsa32_1=210426bmgsa47_1 SUBJECT_SAMPLE_FACTORS - 900483-013-136 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding147_MX591555_posHILIC_900483-013-136; Ding133_MX591555_negHILIC_900483-009-001=Ding147_MX591555_negHILIC_900483-013-136; Ding120_MX591366_posCSH_900483-009-001=Ding153_MX591366_posCSH_900483-013-136; Ding120_MX591366_negCSH_900483-009-001=Ding153_MX591366_negCSH_900483-013-136; 210427bmgsa32_1=210428bmgsa05_1 SUBJECT_SAMPLE_FACTORS - 900483-013-137 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding135_MX591555_posHILIC_900483-013-137; Ding133_MX591555_negHILIC_900483-009-001=Ding135_MX591555_negHILIC_900483-013-137; Ding120_MX591366_posCSH_900483-009-001=Ding067_MX591366_posCSH_900483-013-137; Ding120_MX591366_negCSH_900483-009-001=Ding067_MX591366_negCSH_900483-013-137; 210427bmgsa32_1=210429bmgsa24_1 SUBJECT_SAMPLE_FACTORS - 900483-013-138 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding040_MX591555_posHILIC_900483-013-138; Ding133_MX591555_negHILIC_900483-009-001=Ding040_MX591555_negHILIC_900483-013-138; Ding120_MX591366_posCSH_900483-009-001=Ding174_MX591366_posCSH_900483-013-138; Ding120_MX591366_negCSH_900483-009-001=Ding174_MX591366_negCSH_900483-013-138; 210427bmgsa32_1=210426bmgsa10_1 SUBJECT_SAMPLE_FACTORS - 900483-013-139 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding029_MX591555_posHILIC_900483-013-139; Ding133_MX591555_negHILIC_900483-009-001=Ding029_MX591555_negHILIC_900483-013-139; Ding120_MX591366_posCSH_900483-009-001=Ding134_MX591366_posCSH_900483-013-139; Ding120_MX591366_negCSH_900483-009-001=Ding134_MX591366_negCSH_900483-013-139; 210427bmgsa32_1=210427bmgsa35_1 SUBJECT_SAMPLE_FACTORS - 900483-013-140 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding039_MX591555_posHILIC_900483-013-140; Ding133_MX591555_negHILIC_900483-009-001=Ding039_MX591555_negHILIC_900483-013-140; Ding120_MX591366_posCSH_900483-009-001=Ding044_MX591366_posCSH_900483-013-140; Ding120_MX591366_negCSH_900483-009-001=Ding044_MX591366_negCSH_900483-013-140; 210427bmgsa32_1=210428bmgsa11_1 SUBJECT_SAMPLE_FACTORS - 900483-013-141 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding011_MX591555_posHILIC_900483-013-141; Ding133_MX591555_negHILIC_900483-009-001=Ding011_MX591555_negHILIC_900483-013-141; Ding120_MX591366_posCSH_900483-009-001=Ding066_MX591366_posCSH_900483-013-141; Ding120_MX591366_negCSH_900483-009-001=Ding066_MX591366_negCSH_900483-013-141; 210427bmgsa32_1=210429bmgsa22_1 SUBJECT_SAMPLE_FACTORS - 900483-013-143 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding035_MX591555_posHILIC_900483-013-143; Ding133_MX591555_negHILIC_900483-009-001=Ding035_MX591555_negHILIC_900483-013-143; Ding120_MX591366_posCSH_900483-009-001=Ding005_MX591366_posCSH_900483-013-143; Ding120_MX591366_negCSH_900483-009-001=Ding005_MX591366_negCSH_900483-013-143; 210427bmgsa32_1=210429bmgsa15_1 SUBJECT_SAMPLE_FACTORS - 900483-014-056 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding001_MX591555_posHILIC_900483-014-056; Ding133_MX591555_negHILIC_900483-009-001=Ding001_MX591555_negHILIC_900483-014-056; Ding120_MX591366_posCSH_900483-009-001=Ding017_MX591366_posCSH_900483-014-056; Ding120_MX591366_negCSH_900483-009-001=Ding017_MX591366_negCSH_900483-014-056; 210427bmgsa32_1=210428bmgsa02_1 SUBJECT_SAMPLE_FACTORS - 900483-014-057 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding014_MX591555_posHILIC_900483-014-057; Ding133_MX591555_negHILIC_900483-009-001=Ding014_MX591555_negHILIC_900483-014-057; Ding120_MX591366_posCSH_900483-009-001=Ding018_MX591366_posCSH_900483-014-057; Ding120_MX591366_negCSH_900483-009-001=Ding018_MX591366_negCSH_900483-014-057; 210427bmgsa32_1=210426bmgsa31_1 SUBJECT_SAMPLE_FACTORS - 900483-014-058 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding098_MX591555_posHILIC_900483-014-058; Ding133_MX591555_negHILIC_900483-009-001=Ding098_MX591555_negHILIC_900483-014-058; Ding120_MX591366_posCSH_900483-009-001=Ding032_MX591366_posCSH_900483-014-058; Ding120_MX591366_negCSH_900483-009-001=Ding032_MX591366_negCSH_900483-014-058; 210427bmgsa32_1=210426bmgsa07_1 SUBJECT_SAMPLE_FACTORS - 900483-014-059 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding176_MX591555_posHILIC_900483-014-059; Ding133_MX591555_negHILIC_900483-009-001=Ding176_MX591555_negHILIC_900483-014-059; Ding120_MX591366_posCSH_900483-009-001=Ding015_MX591366_posCSH_900483-014-059; Ding120_MX591366_negCSH_900483-009-001=Ding015_MX591366_negCSH_900483-014-059; 210427bmgsa32_1=210429bmgsa21_1 SUBJECT_SAMPLE_FACTORS - 900483-014-060 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding046_MX591555_posHILIC_900483-014-060; Ding133_MX591555_negHILIC_900483-009-001=Ding046_MX591555_negHILIC_900483-014-060; Ding120_MX591366_posCSH_900483-009-001=Ding095_MX591366_posCSH_900483-014-060; Ding120_MX591366_negCSH_900483-009-001=Ding095_MX591366_negCSH_900483-014-060; 210427bmgsa32_1=210428bmgsa16_1 SUBJECT_SAMPLE_FACTORS - 900483-014-061 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding015_MX591555_posHILIC_900483-014-061; Ding133_MX591555_negHILIC_900483-009-001=Ding015_MX591555_negHILIC_900483-014-061; Ding120_MX591366_posCSH_900483-009-001=Ding170_MX591366_posCSH_900483-014-061; Ding120_MX591366_negCSH_900483-009-001=Ding170_MX591366_negCSH_900483-014-061; 210427bmgsa32_1=210426bmgsa39_2 SUBJECT_SAMPLE_FACTORS - 900483-014-062 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding042_MX591555_posHILIC_900483-014-062; Ding133_MX591555_negHILIC_900483-009-001=Ding042_MX591555_negHILIC_900483-014-062; Ding120_MX591366_posCSH_900483-009-001=Ding004_MX591366_posCSH_900483-014-062; Ding120_MX591366_negCSH_900483-009-001=Ding004_MX591366_negCSH_900483-014-062; 210427bmgsa32_1=210428bmgsa18_1 SUBJECT_SAMPLE_FACTORS - 900483-014-063 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding127_MX591555_posHILIC_900483-014-063; Ding133_MX591555_negHILIC_900483-009-001=Ding127_MX591555_negHILIC_900483-014-063; Ding120_MX591366_posCSH_900483-009-001=Ding072_MX591366_posCSH_900483-014-063; Ding120_MX591366_negCSH_900483-009-001=Ding072_MX591366_negCSH_900483-014-063; 210427bmgsa32_1=210427bmgsa19_1 SUBJECT_SAMPLE_FACTORS - 900483-014-064 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding101_MX591555_posHILIC_900483-014-064; Ding133_MX591555_negHILIC_900483-009-001=Ding101_MX591555_negHILIC_900483-014-064; Ding120_MX591366_posCSH_900483-009-001=Ding034_MX591366_posCSH_900483-014-064; Ding120_MX591366_negCSH_900483-009-001=Ding034_MX591366_negCSH_900483-014-064; 210427bmgsa32_1=210427bmgsa06_1 SUBJECT_SAMPLE_FACTORS - 900483-014-066 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding171_MX591555_posHILIC_900483-014-066; Ding133_MX591555_negHILIC_900483-009-001=Ding171_MX591555_negHILIC_900483-014-066; Ding120_MX591366_posCSH_900483-009-001=Ding029_MX591366_posCSH_900483-014-066; Ding120_MX591366_negCSH_900483-009-001=Ding029_MX591366_negCSH_900483-014-066; 210427bmgsa32_1=210428bmgsa33_1 SUBJECT_SAMPLE_FACTORS - 900483-014-144 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding138_MX591555_posHILIC_900483-014-144; Ding133_MX591555_negHILIC_900483-009-001=Ding138_MX591555_negHILIC_900483-014-144; Ding120_MX591366_posCSH_900483-009-001=Ding093_MX591366_posCSH_900483-014-144; Ding120_MX591366_negCSH_900483-009-001=Ding093_MX591366_negCSH_900483-014-144; 210427bmgsa32_1=210427bmgsa22_1 SUBJECT_SAMPLE_FACTORS - 900483-014-145 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding003_MX591555_posHILIC_900483-014-145; Ding133_MX591555_negHILIC_900483-009-001=Ding003_MX591555_negHILIC_900483-014-145; Ding120_MX591366_posCSH_900483-009-001=Ding161_MX591366_posCSH_900483-014-145; Ding120_MX591366_negCSH_900483-009-001=Ding161_MX591366_negCSH_900483-014-145; 210427bmgsa32_1=210427bmgsa18_1 SUBJECT_SAMPLE_FACTORS - 900483-014-146 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding022_MX591555_posHILIC_900483-014-146; Ding133_MX591555_negHILIC_900483-009-001=Ding022_MX591555_negHILIC_900483-014-146; Ding120_MX591366_posCSH_900483-009-001=Ding124_MX591366_posCSH_900483-014-146; Ding120_MX591366_negCSH_900483-009-001=Ding124_MX591366_negCSH_900483-014-146; 210427bmgsa32_1=210427bmgsa46_1 SUBJECT_SAMPLE_FACTORS - 900483-014-147 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding086_MX591555_posHILIC_900483-014-147; Ding133_MX591555_negHILIC_900483-009-001=Ding086_MX591555_negHILIC_900483-014-147; Ding120_MX591366_posCSH_900483-009-001=Ding001_MX591366_posCSH_900483-014-147; Ding120_MX591366_negCSH_900483-009-001=Ding001_MX591366_negCSH_900483-014-147; 210427bmgsa32_1=210429bmgsa19_1 SUBJECT_SAMPLE_FACTORS - 900483-014-148 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding032_MX591555_posHILIC_900483-014-148; Ding133_MX591555_negHILIC_900483-009-001=Ding032_MX591555_negHILIC_900483-014-148; Ding120_MX591366_posCSH_900483-009-001=Ding065_MX591366_posCSH_900483-014-148; Ding120_MX591366_negCSH_900483-009-001=Ding065_MX591366_negCSH_900483-014-148; 210427bmgsa32_1=210427bmgsa10_1 SUBJECT_SAMPLE_FACTORS - 900483-014-149 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding068_MX591555_posHILIC_900483-014-149; Ding133_MX591555_negHILIC_900483-009-001=Ding068_MX591555_negHILIC_900483-014-149; Ding120_MX591366_posCSH_900483-009-001=Ding049_MX591366_posCSH_900483-014-149; Ding120_MX591366_negCSH_900483-009-001=Ding049_MX591366_negCSH_900483-014-149; 210427bmgsa32_1=210428bmgsa49_1 SUBJECT_SAMPLE_FACTORS - 900483-014-150 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding122_MX591555_posHILIC_900483-014-150; Ding133_MX591555_negHILIC_900483-009-001=Ding122_MX591555_negHILIC_900483-014-150; Ding120_MX591366_posCSH_900483-009-001=Ding014_MX591366_posCSH_900483-014-150; Ding120_MX591366_negCSH_900483-009-001=Ding014_MX591366_negCSH_900483-014-150; 210427bmgsa32_1=210429bmgsa09_1 SUBJECT_SAMPLE_FACTORS - 900483-014-151 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding151_MX591555_posHILIC_900483-014-151; Ding133_MX591555_negHILIC_900483-009-001=Ding151_MX591555_negHILIC_900483-014-151; Ding120_MX591366_posCSH_900483-009-001=Ding031_MX591366_posCSH_900483-014-151; Ding120_MX591366_negCSH_900483-009-001=Ding031_MX591366_negCSH_900483-014-151; 210427bmgsa32_1=210427bmgsa42_1 SUBJECT_SAMPLE_FACTORS - 900483-014-152 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding118_MX591555_posHILIC_900483-014-152; Ding133_MX591555_negHILIC_900483-009-001=Ding118_MX591555_negHILIC_900483-014-152; Ding120_MX591366_posCSH_900483-009-001=Ding135_MX591366_posCSH_900483-014-152; Ding120_MX591366_negCSH_900483-009-001=Ding135_MX591366_negCSH_900483-014-152; 210427bmgsa32_1=210426bmgsa50_1 SUBJECT_SAMPLE_FACTORS - 900483-014-154 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding073_MX591555_posHILIC_900483-014-154; Ding133_MX591555_negHILIC_900483-009-001=Ding073_MX591555_negHILIC_900483-014-154; Ding120_MX591366_posCSH_900483-009-001=Ding116_MX591366_posCSH_900483-014-154; Ding120_MX591366_negCSH_900483-009-001=Ding116_MX591366_negCSH_900483-014-154; 210427bmgsa32_1=210428bmgsa30_1 SUBJECT_SAMPLE_FACTORS - 900483-015-068 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding134_MX591555_posHILIC_900483-015-068; Ding133_MX591555_negHILIC_900483-009-001=Ding134_MX591555_negHILIC_900483-015-068; Ding120_MX591366_posCSH_900483-009-001=Ding076_MX591366_posCSH_900483-015-068; Ding120_MX591366_negCSH_900483-009-001=Ding076_MX591366_negCSH_900483-015-068; 210427bmgsa32_1=210426bmgsa48_1 SUBJECT_SAMPLE_FACTORS - 900483-015-069 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding092_MX591555_posHILIC_900483-015-069; Ding133_MX591555_negHILIC_900483-009-001=Ding092_MX591555_negHILIC_900483-015-069; Ding120_MX591366_posCSH_900483-009-001=Ding136_MX591366_posCSH_900483-015-069; Ding120_MX591366_negCSH_900483-009-001=Ding136_MX591366_negCSH_900483-015-069; 210427bmgsa32_1=210426bmgsa45_1 SUBJECT_SAMPLE_FACTORS - 900483-015-070 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding141_MX591555_posHILIC_900483-015-070; Ding133_MX591555_negHILIC_900483-009-001=Ding141_MX591555_negHILIC_900483-015-070; Ding120_MX591366_posCSH_900483-009-001=Ding125_MX591366_posCSH_900483-015-070; Ding120_MX591366_negCSH_900483-009-001=Ding125_MX591366_negCSH_900483-015-070; 210427bmgsa32_1=210427bmgsa47_1 SUBJECT_SAMPLE_FACTORS - 900483-015-071 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding117_MX591555_posHILIC_900483-015-071; Ding133_MX591555_negHILIC_900483-009-001=Ding117_MX591555_negHILIC_900483-015-071; Ding120_MX591366_posCSH_900483-009-001=Ding069_MX591366_posCSH_900483-015-071; Ding120_MX591366_negCSH_900483-009-001=Ding069_MX591366_negCSH_900483-015-071; 210427bmgsa32_1=210427bmgsa28_1 SUBJECT_SAMPLE_FACTORS - 900483-015-072 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding100_MX591555_posHILIC_900483-015-072; Ding133_MX591555_negHILIC_900483-009-001=Ding100_MX591555_negHILIC_900483-015-072; Ding120_MX591366_posCSH_900483-009-001=Ding053_MX591366_posCSH_900483-015-072; Ding120_MX591366_negCSH_900483-009-001=Ding053_MX591366_negCSH_900483-015-072; 210427bmgsa32_1=210426bmgsa29_1 SUBJECT_SAMPLE_FACTORS - 900483-015-073 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding045_MX591555_posHILIC_900483-015-073; Ding133_MX591555_negHILIC_900483-009-001=Ding045_MX591555_negHILIC_900483-015-073; Ding120_MX591366_posCSH_900483-009-001=Ding169_MX591366_posCSH_900483-015-073; Ding120_MX591366_negCSH_900483-009-001=Ding169_MX591366_negCSH_900483-015-073; 210427bmgsa32_1=210426bmgsa16_1 SUBJECT_SAMPLE_FACTORS - 900483-015-074 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding152_MX591555_posHILIC_900483-015-074; Ding133_MX591555_negHILIC_900483-009-001=Ding152_MX591555_negHILIC_900483-015-074; Ding120_MX591366_posCSH_900483-009-001=Ding142_MX591366_posCSH_900483-015-074; Ding120_MX591366_negCSH_900483-009-001=Ding142_MX591366_negCSH_900483-015-074; 210427bmgsa32_1=210426bmgsa13_1 SUBJECT_SAMPLE_FACTORS - 900483-015-075 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding094_MX591555_posHILIC_900483-015-075; Ding133_MX591555_negHILIC_900483-009-001=Ding094_MX591555_negHILIC_900483-015-075; Ding120_MX591366_posCSH_900483-009-001=Ding126_MX591366_posCSH_900483-015-075; Ding120_MX591366_negCSH_900483-009-001=Ding126_MX591366_negCSH_900483-015-075; 210427bmgsa32_1=210428bmgsa21_1 SUBJECT_SAMPLE_FACTORS - 900483-015-077 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding087_MX591555_posHILIC_900483-015-077; Ding133_MX591555_negHILIC_900483-009-001=Ding087_MX591555_negHILIC_900483-015-077; Ding120_MX591366_posCSH_900483-009-001=Ding119_MX591366_posCSH_900483-015-077; Ding120_MX591366_negCSH_900483-009-001=Ding119_MX591366_negCSH_900483-015-077; 210427bmgsa32_1=210428bmgsa34_1 SUBJECT_SAMPLE_FACTORS - 900483-015-155 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding114_MX591555_posHILIC_900483-015-155; Ding133_MX591555_negHILIC_900483-009-001=Ding114_MX591555_negHILIC_900483-015-155; Ding120_MX591366_posCSH_900483-009-001=Ding158_MX591366_posCSH_900483-015-155; Ding120_MX591366_negCSH_900483-009-001=Ding158_MX591366_negCSH_900483-015-155; 210427bmgsa32_1=210429bmgsa06_1 SUBJECT_SAMPLE_FACTORS - 900483-015-156 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding172_MX591555_posHILIC_900483-015-156; Ding133_MX591555_negHILIC_900483-009-001=Ding172_MX591555_negHILIC_900483-015-156; Ding120_MX591366_posCSH_900483-009-001=Ding156_MX591366_posCSH_900483-015-156; Ding120_MX591366_negCSH_900483-009-001=Ding156_MX591366_negCSH_900483-015-156; 210427bmgsa32_1=210428bmgsa10_1 SUBJECT_SAMPLE_FACTORS - 900483-015-157 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding162_MX591555_posHILIC_900483-015-157; Ding133_MX591555_negHILIC_900483-009-001=Ding162_MX591555_negHILIC_900483-015-157; Ding120_MX591366_posCSH_900483-009-001=Ding041_MX591366_posCSH_900483-015-157; Ding120_MX591366_negCSH_900483-009-001=Ding041_MX591366_negCSH_900483-015-157; 210427bmgsa32_1=210428bmgsa44_1 SUBJECT_SAMPLE_FACTORS - 900483-015-158 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding111_MX591555_posHILIC_900483-015-158; Ding133_MX591555_negHILIC_900483-009-001=Ding111_MX591555_negHILIC_900483-015-158; Ding120_MX591366_posCSH_900483-009-001=Ding102_MX591366_posCSH_900483-015-158; Ding120_MX591366_negCSH_900483-009-001=Ding102_MX591366_negCSH_900483-015-158; 210427bmgsa32_1=210428bmgsa20_1 SUBJECT_SAMPLE_FACTORS - 900483-015-159 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding044_MX591555_posHILIC_900483-015-159; Ding133_MX591555_negHILIC_900483-009-001=Ding044_MX591555_negHILIC_900483-015-159; Ding120_MX591366_posCSH_900483-009-001=Ding173_MX591366_posCSH_900483-015-159; Ding120_MX591366_negCSH_900483-009-001=Ding173_MX591366_negCSH_900483-015-159; 210427bmgsa32_1=210426bmgsa35_1 SUBJECT_SAMPLE_FACTORS - 900483-015-160 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding163_MX591555_posHILIC_900483-015-160; Ding133_MX591555_negHILIC_900483-009-001=Ding163_MX591555_negHILIC_900483-015-160; Ding120_MX591366_posCSH_900483-009-001=Ding110_MX591366_posCSH_900483-015-160; Ding120_MX591366_negCSH_900483-009-001=Ding110_MX591366_negCSH_900483-015-160; 210427bmgsa32_1=210427bmgsa50_1 SUBJECT_SAMPLE_FACTORS - 900483-015-161 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding159_MX591555_posHILIC_900483-015-161; Ding133_MX591555_negHILIC_900483-009-001=Ding159_MX591555_negHILIC_900483-015-161; Ding120_MX591366_posCSH_900483-009-001=Ding107_MX591366_posCSH_900483-015-161; Ding120_MX591366_negCSH_900483-009-001=Ding107_MX591366_negCSH_900483-015-161; 210427bmgsa32_1=210429bmgsa08_1 SUBJECT_SAMPLE_FACTORS - 900483-015-162 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding078_MX591555_posHILIC_900483-015-162; Ding133_MX591555_negHILIC_900483-009-001=Ding078_MX591555_negHILIC_900483-015-162; Ding120_MX591366_posCSH_900483-009-001=Ding046_MX591366_posCSH_900483-015-162; Ding120_MX591366_negCSH_900483-009-001=Ding046_MX591366_negCSH_900483-015-162; 210427bmgsa32_1=210428bmgsa36_1 SUBJECT_SAMPLE_FACTORS - 900483-015-163 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding056_MX591555_posHILIC_900483-015-163; Ding133_MX591555_negHILIC_900483-009-001=Ding056_MX591555_negHILIC_900483-015-163; Ding120_MX591366_posCSH_900483-009-001=Ding092_MX591366_posCSH_900483-015-163; Ding120_MX591366_negCSH_900483-009-001=Ding092_MX591366_negCSH_900483-015-163; 210427bmgsa32_1=210428bmgsa08_1 SUBJECT_SAMPLE_FACTORS - 900483-015-165 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding146_MX591555_posHILIC_900483-015-165; Ding133_MX591555_negHILIC_900483-009-001=Ding146_MX591555_negHILIC_900483-015-165; Ding120_MX591366_posCSH_900483-009-001=Ding083_MX591366_posCSH_900483-015-165; Ding120_MX591366_negCSH_900483-009-001=Ding083_MX591366_negCSH_900483-015-165; 210427bmgsa32_1=210428bmgsa19_1 SUBJECT_SAMPLE_FACTORS - 900483-016-078 Brain region:Olfactory bulb | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding007_MX591555_posHILIC_900483-016-078; Ding133_MX591555_negHILIC_900483-009-001=Ding007_MX591555_negHILIC_900483-016-078; Ding120_MX591366_posCSH_900483-009-001=Ding165_MX591366_posCSH_900483-016-078; Ding120_MX591366_negCSH_900483-009-001=Ding165_MX591366_negCSH_900483-016-078; 210427bmgsa32_1=210428bmgsa27_1 SUBJECT_SAMPLE_FACTORS - 900483-016-079 Brain region:Cerebral cortex | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding168_MX591555_posHILIC_900483-016-079; Ding133_MX591555_negHILIC_900483-009-001=Ding168_MX591555_negHILIC_900483-016-079; Ding120_MX591366_posCSH_900483-009-001=Ding091_MX591366_posCSH_900483-016-079; Ding120_MX591366_negCSH_900483-009-001=Ding091_MX591366_negCSH_900483-016-079; 210427bmgsa32_1=210428bmgsa01_1 SUBJECT_SAMPLE_FACTORS - 900483-016-080 Brain region:Hippocampus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding102_MX591555_posHILIC_900483-016-080; Ding133_MX591555_negHILIC_900483-009-001=Ding102_MX591555_negHILIC_900483-016-080; Ding120_MX591366_posCSH_900483-009-001=Ding061_MX591366_posCSH_900483-016-080; Ding120_MX591366_negCSH_900483-009-001=Ding061_MX591366_negCSH_900483-016-080; 210427bmgsa32_1=210426bmgsa19_1 SUBJECT_SAMPLE_FACTORS - 900483-016-081 Brain region:Cerebellum | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding057_MX591555_posHILIC_900483-016-081; Ding133_MX591555_negHILIC_900483-009-001=Ding057_MX591555_negHILIC_900483-016-081; Ding120_MX591366_posCSH_900483-009-001=Ding112_MX591366_posCSH_900483-016-081; Ding120_MX591366_negCSH_900483-009-001=Ding112_MX591366_negCSH_900483-016-081; 210427bmgsa32_1=210426bmgsa37_1 SUBJECT_SAMPLE_FACTORS - 900483-016-082 Brain region:Midbrain | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding059_MX591555_posHILIC_900483-016-082; Ding133_MX591555_negHILIC_900483-009-001=Ding059_MX591555_negHILIC_900483-016-082; Ding120_MX591366_posCSH_900483-009-001=Ding037_MX591366_posCSH_900483-016-082; Ding120_MX591366_negCSH_900483-009-001=Ding037_MX591366_negCSH_900483-016-082; 210427bmgsa32_1=210426bmgsa12_1 SUBJECT_SAMPLE_FACTORS - 900483-016-083 Brain region:Thalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding144_MX591555_posHILIC_900483-016-083; Ding133_MX591555_negHILIC_900483-009-001=Ding144_MX591555_negHILIC_900483-016-083; Ding120_MX591366_posCSH_900483-009-001=Ding040_MX591366_posCSH_900483-016-083; Ding120_MX591366_negCSH_900483-009-001=Ding040_MX591366_negCSH_900483-016-083; 210427bmgsa32_1=210426bmgsa44_1 SUBJECT_SAMPLE_FACTORS - 900483-016-084 Brain region:Hypothalamus | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding083_MX591555_posHILIC_900483-016-084; Ding133_MX591555_negHILIC_900483-009-001=Ding083_MX591555_negHILIC_900483-016-084; Ding120_MX591366_posCSH_900483-009-001=Ding100_MX591366_posCSH_900483-016-084; Ding120_MX591366_negCSH_900483-009-001=Ding100_MX591366_negCSH_900483-016-084; 210427bmgsa32_1=210426bmgsa14_1 SUBJECT_SAMPLE_FACTORS - 900483-016-085 Brain region:Pons | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding116_MX591555_posHILIC_900483-016-085; Ding133_MX591555_negHILIC_900483-009-001=Ding116_MX591555_negHILIC_900483-016-085; Ding120_MX591366_posCSH_900483-009-001=Ding009_MX591366_posCSH_900483-016-085; Ding120_MX591366_negCSH_900483-009-001=Ding009_MX591366_negCSH_900483-016-085; 210427bmgsa32_1=210426bmgsa33_1 SUBJECT_SAMPLE_FACTORS - 900483-016-086 Brain region:Medulla | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding125_MX591555_posHILIC_900483-016-086; Ding133_MX591555_negHILIC_900483-009-001=Ding125_MX591555_negHILIC_900483-016-086; Ding120_MX591366_posCSH_900483-009-001=Ding166_MX591366_posCSH_900483-016-086; Ding120_MX591366_negCSH_900483-009-001=Ding166_MX591366_negCSH_900483-016-086; 210427bmgsa32_1=210427bmgsa36_2 SUBJECT_SAMPLE_FACTORS - 900483-016-088 Brain region:Basal ganglia | Gender:Male Age=92 weeks; RAW_FILE_NAME=Ding131_MX591555_posHILIC_900483-016-088; Ding133_MX591555_negHILIC_900483-009-001=Ding131_MX591555_negHILIC_900483-016-088; Ding120_MX591366_posCSH_900483-009-001=Ding057_MX591366_posCSH_900483-016-088; Ding120_MX591366_negCSH_900483-009-001=Ding057_MX591366_negCSH_900483-016-088; 210427bmgsa32_1=210426bmgsa36_1 SUBJECT_SAMPLE_FACTORS - 900483-016-166 Brain region:Olfactory bulb | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding104_MX591555_posHILIC_900483-016-166; Ding133_MX591555_negHILIC_900483-009-001=Ding104_MX591555_negHILIC_900483-016-166; Ding120_MX591366_posCSH_900483-009-001=Ding030_MX591366_posCSH_900483-016-166; Ding120_MX591366_negCSH_900483-009-001=Ding030_MX591366_negCSH_900483-016-166; 210427bmgsa32_1=210427bmgsa34_1 SUBJECT_SAMPLE_FACTORS - 900483-016-167 Brain region:Cerebral cortex | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding026_MX591555_posHILIC_900483-016-167; Ding133_MX591555_negHILIC_900483-009-001=Ding026_MX591555_negHILIC_900483-016-167; Ding120_MX591366_posCSH_900483-009-001=Ding078_MX591366_posCSH_900483-016-167; Ding120_MX591366_negCSH_900483-009-001=Ding078_MX591366_negCSH_900483-016-167; 210427bmgsa32_1=210427bmgsa12_1 SUBJECT_SAMPLE_FACTORS - 900483-016-168 Brain region:Hippocampus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding065_MX591555_posHILIC_900483-016-168; Ding133_MX591555_negHILIC_900483-009-001=Ding065_MX591555_negHILIC_900483-016-168; Ding120_MX591366_posCSH_900483-009-001=Ding058_MX591366_posCSH_900483-016-168; Ding120_MX591366_negCSH_900483-009-001=Ding058_MX591366_negCSH_900483-016-168; 210427bmgsa32_1=210428bmgsa48_1 SUBJECT_SAMPLE_FACTORS - 900483-016-169 Brain region:Cerebellum | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding149_MX591555_posHILIC_900483-016-169; Ding133_MX591555_negHILIC_900483-009-001=Ding149_MX591555_negHILIC_900483-016-169; Ding120_MX591366_posCSH_900483-009-001=Ding054_MX591366_posCSH_900483-016-169; Ding120_MX591366_negCSH_900483-009-001=Ding054_MX591366_negCSH_900483-016-169; 210427bmgsa32_1=210427bmgsa03_1 SUBJECT_SAMPLE_FACTORS - 900483-016-170 Brain region:Midbrain | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding153_MX591555_posHILIC_900483-016-170; Ding133_MX591555_negHILIC_900483-009-001=Ding153_MX591555_negHILIC_900483-016-170; Ding120_MX591366_posCSH_900483-009-001=Ding147_MX591366_posCSH_900483-016-170; Ding120_MX591366_negCSH_900483-009-001=Ding147_MX591366_negCSH_900483-016-170; 210427bmgsa32_1=210427bmgsa14_1 SUBJECT_SAMPLE_FACTORS - 900483-016-171 Brain region:Thalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding021_MX591555_posHILIC_900483-016-171; Ding133_MX591555_negHILIC_900483-009-001=Ding021_MX591555_negHILIC_900483-016-171; Ding120_MX591366_posCSH_900483-009-001=Ding106_MX591366_posCSH_900483-016-171; Ding120_MX591366_negCSH_900483-009-001=Ding106_MX591366_negCSH_900483-016-171; 210427bmgsa32_1=210426bmgsa32_1 SUBJECT_SAMPLE_FACTORS - 900483-016-172 Brain region:Hypothalamus | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding058_MX591555_posHILIC_900483-016-172; Ding133_MX591555_negHILIC_900483-009-001=Ding058_MX591555_negHILIC_900483-016-172; Ding120_MX591366_posCSH_900483-009-001=Ding077_MX591366_posCSH_900483-016-172; Ding120_MX591366_negCSH_900483-009-001=Ding077_MX591366_negCSH_900483-016-172; 210427bmgsa32_1=210428bmgsa15_1 SUBJECT_SAMPLE_FACTORS - 900483-016-173 Brain region:Pons | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding030_MX591555_posHILIC_900483-016-173; Ding133_MX591555_negHILIC_900483-009-001=Ding030_MX591555_negHILIC_900483-016-173; Ding120_MX591366_posCSH_900483-009-001=Ding010_MX591366_posCSH_900483-016-173; Ding120_MX591366_negCSH_900483-009-001=Ding010_MX591366_negCSH_900483-016-173; 210427bmgsa32_1=210426bmgsa46_1 SUBJECT_SAMPLE_FACTORS - 900483-016-174 Brain region:Medulla | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding077_MX591555_posHILIC_900483-016-174; Ding133_MX591555_negHILIC_900483-009-001=Ding077_MX591555_negHILIC_900483-016-174; Ding120_MX591366_posCSH_900483-009-001=Ding160_MX591366_posCSH_900483-016-174; Ding120_MX591366_negCSH_900483-009-001=Ding160_MX591366_negCSH_900483-016-174; 210427bmgsa32_1=210426bmgsa49_1 SUBJECT_SAMPLE_FACTORS - 900483-016-176 Brain region:Basal ganglia | Gender:Female Age=92 weeks; RAW_FILE_NAME=Ding096_MX591555_posHILIC_900483-016-176; Ding133_MX591555_negHILIC_900483-009-001=Ding096_MX591555_negHILIC_900483-016-176; Ding120_MX591366_posCSH_900483-009-001=Ding062_MX591366_posCSH_900483-016-176; Ding120_MX591366_negCSH_900483-009-001=Ding062_MX591366_negCSH_900483-016-176; 210427bmgsa32_1=210427bmgsa31_1 SUBJECT_SAMPLE_FACTORS - OldMAPool001 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool001_MX591555_negHILIC_preDing001; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool001_MX591555_posHILIC_preDing001; Ding120_MX591366_posCSH_900483-009-001=OldMAPool001_MX591366_posCSH_preDing001; Ding120_MX591366_negCSH_900483-009-001=OldMAPool001_MX591366_negCSH_preDing001; 210427bmgsa32_1=210429bmgsa27_1 SUBJECT_SAMPLE_FACTORS - OldMAPool002 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool002_MX591555_posHILIC_postDing010; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool002_MX591555_negHILIC_postDing010; Ding120_MX591366_posCSH_900483-009-001=OldMAPool002_MX591366_posCSH_postDing010; Ding120_MX591366_negCSH_900483-009-001=OldMAPool002_MX591366_negCSH_postDing010; 210427bmgsa32_1=210429bmgsa28_1 SUBJECT_SAMPLE_FACTORS - OldMAPool003 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool003_MX591555_posHILIC_postDing020; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool003_MX591555_negHILIC_postDing020; Ding120_MX591366_posCSH_900483-009-001=OldMAPool003_MX591366_posCSH_postDing020; Ding120_MX591366_negCSH_900483-009-001=OldMAPool003_MX591366_negCSH_postDing020; 210427bmgsa32_1=210429bmgsa29_1 SUBJECT_SAMPLE_FACTORS - OldMAPool004 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool004_MX591555_posHILIC_postDing030; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool004_MX591555_negHILIC_postDing030; Ding120_MX591366_posCSH_900483-009-001=OldMAPool004_MX591366_posCSH_postDing030; Ding120_MX591366_negCSH_900483-009-001=OldMAPool004_MX591366_negCSH_postDing030; 210427bmgsa32_1=210429bmgsa30_1 SUBJECT_SAMPLE_FACTORS - OldMAPool005 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool005_MX591555_posHILIC_postDing040; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool005_MX591555_negHILIC_postDing040; Ding120_MX591366_posCSH_900483-009-001=OldMAPool005_MX591366_posCSH_postDing040; Ding120_MX591366_negCSH_900483-009-001=OldMAPool005_MX591366_negCSH_postDing040; 210427bmgsa32_1=210429bmgsa31_1 SUBJECT_SAMPLE_FACTORS - OldMAPool006 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool006_MX591555_posHILIC_postDing050; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool006_MX591555_negHILIC_postDing050; Ding120_MX591366_posCSH_900483-009-001=OldMAPool006_MX591366_posCSH_postDing050; Ding120_MX591366_negCSH_900483-009-001=OldMAPool006_MX591366_negCSH_postDing050; 210427bmgsa32_1=210429bmgsa32_1 SUBJECT_SAMPLE_FACTORS - OldMAPool007 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool007_MX591555_posHILIC_postDing060; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool007_MX591555_negHILIC_postDing060; Ding120_MX591366_posCSH_900483-009-001=OldMAPool007_MX591366_posCSH_postDing060; Ding120_MX591366_negCSH_900483-009-001=OldMAPool007_MX591366_negCSH_postDing060; 210427bmgsa32_1=210429bmgsa33_1 SUBJECT_SAMPLE_FACTORS - OldMAPool009 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool009_MX591555_posHILIC_postDing080; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool009_MX591555_negHILIC_postDing080; Ding120_MX591366_posCSH_900483-009-001=OldMAPool009_MX591366_posCSH_postDing080; Ding120_MX591366_negCSH_900483-009-001=OldMAPool009_MX591366_negCSH_postDing080; 210427bmgsa32_1=210429bmgsa34_1 SUBJECT_SAMPLE_FACTORS - OldMAPool010 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool010_MX591555_posHILIC_postDing090; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool010_MX591555_negHILIC_postDing090; Ding120_MX591366_posCSH_900483-009-001=OldMAPool010_MX591366_posCSH_postDing090; Ding120_MX591366_negCSH_900483-009-001=OldMAPool010_MX591366_negCSH_postDing090; 210427bmgsa32_1=210429bmgsa35_1 SUBJECT_SAMPLE_FACTORS - OldMAPool011 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool011_MX591555_posHILIC_postDing100; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool011_MX591555_negHILIC_postDing100; Ding120_MX591366_posCSH_900483-009-001=OldMAPool011_MX591366_posCSH_postDing100; Ding120_MX591366_negCSH_900483-009-001=OldMAPool011_MX591366_negCSH_postDing100; 210427bmgsa32_1=210429bmgsa36_1 SUBJECT_SAMPLE_FACTORS - OldMAPool014 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool014_MX591555_posHILIC_postDing130; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool014_MX591555_negHILIC_postDing130; Ding120_MX591366_posCSH_900483-009-001=OldMAPool014_MX591366_posCSH_postDing130; Ding120_MX591366_negCSH_900483-009-001=OldMAPool014_MX591366_negCSH_postDing130; 210427bmgsa32_1=210429bmgsa37_1 SUBJECT_SAMPLE_FACTORS - OldMAPool015 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool015_MX591555_posHILIC_postDing140; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool015_MX591555_negHILIC_postDing140; Ding120_MX591366_posCSH_900483-009-001=OldMAPool015_MX591366_posCSH_postDing140; Ding120_MX591366_negCSH_900483-009-001=OldMAPool015_MX591366_negCSH_postDing140; 210427bmgsa32_1=210429bmgsa38_1 SUBJECT_SAMPLE_FACTORS - OldMAPool016 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool016_MX591555_posHILIC_postDing150; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool016_MX591555_negHILIC_postDing150; Ding120_MX591366_posCSH_900483-009-001=OldMAPool016_MX591366_posCSH_postDing150; Ding120_MX591366_negCSH_900483-009-001=OldMAPool016_MX591366_negCSH_postDing150; 210427bmgsa32_1=210429bmgsa39_1 SUBJECT_SAMPLE_FACTORS - OldMAPool017 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool017_MX591555_posHILIC_postDing160; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool017_MX591555_negHILIC_postDing160; Ding120_MX591366_posCSH_900483-009-001=OldMAPool017_MX591366_posCSH_postDing160; Ding120_MX591366_negCSH_900483-009-001=OldMAPool017_MX591366_negCSH_postDing160; 210427bmgsa32_1=210429bmgsa40_1 SUBJECT_SAMPLE_FACTORS - OldMAPool018 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool018_MX591555_posHILIC_postDing170; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool018_MX591555_negHILIC_postDing170; Ding120_MX591366_posCSH_900483-009-001=OldMAPool018_MX591366_posCSH_postDing170; Ding120_MX591366_negCSH_900483-009-001=OldMAPool018_MX591366_negCSH_postDing170; 210427bmgsa32_1=210429bmgsa41_1 SUBJECT_SAMPLE_FACTORS - OldMAPool019 Brain region:poolQC | Gender:- Age=-; RAW_FILE_NAME=OldMAPool019_MX591555_posHILIC_postDing176; Ding133_MX591555_negHILIC_900483-009-001=OldMAPool019_MX591555_negHILIC_postDing176; Ding120_MX591366_posCSH_900483-009-001=OldMAPool019_MX591366_posCSH_postDing176; Ding120_MX591366_negCSH_900483-009-001=OldMAPool019_MX591366_negCSH_postDing176; 210427bmgsa32_1=210429bmgsa42_2 #COLLECTION CO:COLLECTION_SUMMARY Brain tissue samples were collected from 92 weeks old male and female wild type CO:COLLECTION_SUMMARY mice on a C57BL/6N background and performed under approved institutional IACUC CO:COLLECTION_SUMMARY protocols. Briefly, mice were anesthetized with 4% Isoflurane in 100% oxygen at CO:COLLECTION_SUMMARY a flow rate of 3 L/h to a surgical plane. Blood was then collected by CO:COLLECTION_SUMMARY retro-orbital bleed into an EDTA tube and centrifuged at 3000 rpm for 15 min to CO:COLLECTION_SUMMARY separate and remove plasma. While under anesthsia mice were perfused for CO:COLLECTION_SUMMARY approximately 10 minutes with phosphate buffered saline (PBS) pH 7.4 at room CO:COLLECTION_SUMMARY temperature. Following perfusion, the brain was removed and placed in a petri CO:COLLECTION_SUMMARY dish containing PBS at 4oC for dissection of individual brain regions. A CO:COLLECTION_SUMMARY dissection microscope, fine tip (#5) forceps, and razor blade was used to CO:COLLECTION_SUMMARY isolate and separate brain regions (olfactory bulb, hippocampus, hypothalamus, CO:COLLECTION_SUMMARY thalamus, midbrain, cerebellum, pons, medulla, cerebral cortex, and basal CO:COLLECTION_SUMMARY ganglia collected as caudate putamen and basal forebrain) in induvial mice while CO:COLLECTION_SUMMARY being careful to avoid contamination from neighboring regions. Briefly, after CO:COLLECTION_SUMMARY separating the olfactory bulbs, the left and right cerebral cortices were then CO:COLLECTION_SUMMARY removed while taking care not to disrupt the regions underneath. This enabled CO:COLLECTION_SUMMARY access to and removal of the left and right hippocampus. After cutting along the CO:COLLECTION_SUMMARY thalamus, the left and right caudate putamen was separated and removed from the CO:COLLECTION_SUMMARY basal forebrain. Subsequently, the cerebellum and midbrain were isolated and CO:COLLECTION_SUMMARY removed, followed by separation and removal of the thalamus and the hypothalamus CO:COLLECTION_SUMMARY from the pons and medulla. The pons was then separated from the medulla. Any CO:COLLECTION_SUMMARY spinal cord remaining on the medulla was removed. Each region was immediately CO:COLLECTION_SUMMARY placed in a cryo vial and flash frozen in liquid nitrogen for analysis. CO:SAMPLE_TYPE Brain #TREATMENT TR:TREATMENT_SUMMARY Five milligrams of tissue from each brain region were homogenized in 225 µL of TR:TREATMENT_SUMMARY -20˚C cold, internal standard-containing methanol using a GenoGrinder 2010 TR:TREATMENT_SUMMARY (SPEX SamplePrep) for 2 min at 1,350 rpm. The homogenate was vortexed for 10 s. TR:TREATMENT_SUMMARY 750 µL of -20˚C cold, internal standard-containing methyl tertiary-butyl ether TR:TREATMENT_SUMMARY (MTBE) was added, and the mixture was vortexed for 10 s and shaken at 4˚C for 5 TR:TREATMENT_SUMMARY min with an Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific TR:TREATMENT_SUMMARY Instruments). MTBE contained cholesteryl ester 22:1 as internal standard. Next, TR:TREATMENT_SUMMARY 188 µL room temperature water was added and vortexed for 20s to induce phase TR:TREATMENT_SUMMARY separation. After centrifugation for 2min at 14,000 g, two 350 µL aliquots of TR:TREATMENT_SUMMARY the upper non-polar phase and two 125 µL aliquots of the bottom polar phase TR:TREATMENT_SUMMARY were collected and dried down. Remaining fractions were combined to form QC TR:TREATMENT_SUMMARY pools and were injected after every set of 10 biological samples. The non-polar TR:TREATMENT_SUMMARY phase employed for lipidomics was resuspended in a mixture of methanol/toluene TR:TREATMENT_SUMMARY (60 µL, 9:1, v/v) containing an internal standard [12-[(cyclohexylamino) TR:TREATMENT_SUMMARY carbonyl]amino]-dodecanoic acid (CUDA)] before injection. Resuspension of dried TR:TREATMENT_SUMMARY polar phases for HILIC analysis was performed in a mixture of internal TR:TREATMENT_SUMMARY standard-containing acetonitrile/water (90 µL, 4:1, v/v). The second dried TR:TREATMENT_SUMMARY polar phase was reserved for GC analysis and a following derivatization process TR:TREATMENT_SUMMARY was carried out before injection. First, carbonyl groups were protected by TR:TREATMENT_SUMMARY methoximation with methoxyamine hydrochloride in pyridine (40 mg/mL, 10 µL) was TR:TREATMENT_SUMMARY added to the dried samples. Then, the mixture was incubated at 30˚C for 90 min TR:TREATMENT_SUMMARY followed by trimethylsilylation with N-methyl-N-(trimethylsilyl) TR:TREATMENT_SUMMARY trifluoroacetamide (MSTFA, 90 μL) containing C8–C30 fatty acid methyl esters TR:TREATMENT_SUMMARY (FAMEs) as internal standards by shaking at 37˚C for 30min. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Five milligrams of tissue from each brain region were homogenized in 225 µL of SP:SAMPLEPREP_SUMMARY -20˚C cold, internal standard-containing methanol using a GenoGrinder 2010 SP:SAMPLEPREP_SUMMARY (SPEX SamplePrep) for 2min at 1,350 rpm. The homogenate was vortexed for 10s. SP:SAMPLEPREP_SUMMARY 750 µL of -20˚C cold, internal standard-containing methyl tertiary-butyl ether SP:SAMPLEPREP_SUMMARY (MTBE) was added, and the mixture was vortexed for 10 s and shaken at 4˚C for SP:SAMPLEPREP_SUMMARY 5min with an Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific SP:SAMPLEPREP_SUMMARY Instruments). MTBE contained cholesteryl ester 22:1 as internal standard. Next, SP:SAMPLEPREP_SUMMARY 188 µL room temperature water was added and vortexed for 20s to induce phase SP:SAMPLEPREP_SUMMARY separation. After centrifugation for 2min at 14,000 g, two 350 µL aliquots of SP:SAMPLEPREP_SUMMARY the upper non-polar phase and two 125 µL aliquots of the bottom polar phase SP:SAMPLEPREP_SUMMARY were collected and dried down. Remaining fractions were combined to form QC SP:SAMPLEPREP_SUMMARY pools and were injected after every set of 10 biological samples. The non-polar SP:SAMPLEPREP_SUMMARY phase employed for lipidomics was resuspended in a mixture of methanol/toluene SP:SAMPLEPREP_SUMMARY (60 µL, 9:1, v/v) containing an internal standard [12-[(cyclohexylamino) SP:SAMPLEPREP_SUMMARY carbonyl]amino]-dodecanoic acid (CUDA)] before injection. Resuspension of dried SP:SAMPLEPREP_SUMMARY polar phases for HILIC analysis was performed in a mixture of internal SP:SAMPLEPREP_SUMMARY standard-containing acetonitrile/water (90 µL, 4:1, v/v). The second dried SP:SAMPLEPREP_SUMMARY polar phase was reserved for GC analysis and a following derivatization process SP:SAMPLEPREP_SUMMARY was carried out before injection. First, carbonyl groups were protected by SP:SAMPLEPREP_SUMMARY methoximation with methoxyamine hydrochloride in pyridine (40 mg/mL, 10 µL) was SP:SAMPLEPREP_SUMMARY added to the dried samples. Then, the mixture was incubated at 30˚C for 90 min SP:SAMPLEPREP_SUMMARY followed by trimethylsilylation with N-methyl-N-(trimethylsilyl) SP:SAMPLEPREP_SUMMARY trifluoroacetamide (MSTFA, 90 μL) containing C8–C30 fatty acid methyl esters SP:SAMPLEPREP_SUMMARY (FAMEs) as internal standards by shaking at 37˚C for 30min. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY HILIC positive CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters XBridge Amide (100 x 4.6mm, 3.5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The ion source conditions were set as follows: spray voltage, 3.6 kV; sheath gas MS:MS_COMMENTS flow rate, 60 arbitrary units; aux gas flow rate, 25 arbitrary units; sweep gas MS:MS_COMMENTS flow rate, 2 arbitrary units; capillary temp, 300 °C; S-lens RF level, 50; Aux MS:MS_COMMENTS gas heater temp, 370 °C. The following acquisition parameters were used for MS1 MS:MS_COMMENTS analysis: resolution, 60000, AGC target, 1e6; Maximum IT, 100 ms; scan range MS:MS_COMMENTS 60-900 m/z; spectrum data type, centroid. Data dependent MS/MS parameters: MS:MS_COMMENTS resolution, 15000; AGC target, 1e5; maximum IT, 50 ms; loop count, 4; TopN, 4; MS:MS_COMMENTS isolation window, 1.0 m/z; fixed first mass, 70.0 m/z; (N)CE/ stepped nce, 20, MS:MS_COMMENTS 30, 40; spectrum data type, centroid; minimum AGC target, 8e3; intensity MS:MS_COMMENTS threshold, 1.6e5; exclude isotopes, on; dynamic exclusion, 3.0 s. To increase MS:MS_COMMENTS the total number of MS/MS spectra, five runs with iterative MS/MS exclusions MS:MS_COMMENTS were performed using the R package “IE-Omics”18 for both positive and MS:MS_COMMENTS negative electrospray conditions. All the LC-MS raw data files were converted MS:MS_COMMENTS into ABF format using ABF converter (https://www.reifycs.com/AbfConverter/). MS:MS_COMMENTS MS-DIAL ver.4.00 software was used for deconvolution, peak picking, alignment, MS:MS_COMMENTS and compound identification19. The detailed parameter setting was as follows: MS:MS_COMMENTS MS1 tolerance, 0.005 Da; MS2 tolerance, 0.01 Da; minimum peak height, 20000 MS:MS_COMMENTS amplitude; mass slice width, 0.1 Da; smoothing method, linear weighted moving MS:MS_COMMENTS average; smoothing level, 5 scans; minimum peak width, 10 scans. [M+H]+, MS:MS_COMMENTS [M+NH4]+, [M+Na]+, [2M+H]+,[2M+NH4]+, [2M+Na]+ were included in adduct ion MS:MS_COMMENTS setting for positive mode lipidomics and HILIC analysis, [M-H]-, [M+Cl]-, MS:MS_COMMENTS [M+Hac-H]- for negative mode lipidomics, and [M-H]-, [M+Cl]-, [M+FA-H]-, [2M-H]- MS:MS_COMMENTS for negative mode HILIC analysis. Compounds were annotated by matching retention MS:MS_COMMENTS times, accurate precursor masses and MS/MS spectra against libraries in MassBank MS:MS_COMMENTS of North America and NIST17. Retention time libraries were produced from MS:MS_COMMENTS authentic standards and extrapolated for lipids as published before. The primary MS:MS_COMMENTS result data matrix was processed with MS-FLO software to identify ion adducts, MS:MS_COMMENTS duplicate peaks, and isotopic features. Systematic error removal by random MS:MS_COMMENTS forest (SERRF software) was employed to correct for batch effects or instrument MS:MS_COMMENTS signal drifts. Statistical analysis was performed by normalization to the median MS:MS_COMMENTS intensity of all identified compounds, log transformation and Pareto scaling. MS:MS_COMMENTS PCA was used for multivariate statistics and visualization, specifically for MS:MS_COMMENTS outlier detection. Two outliers, including one medulla sample from a female MS:MS_COMMENTS early adult and one basal ganglia sample from a female late adult, were removed. MS:MS_COMMENTS Results from Kruskal-Wallis tests were followed by Dunn’s multiple comparison MS:MS_COMMENTS confinement. Results from Mann–Whitney U tests were corrected by the MS:MS_COMMENTS Benjamini–Hochberg procedure to control the false discovery rate. Spearman MS:MS_COMMENTS rank correlation analyses and fold change calculations were conducted using R. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples 900483-013-143 900483-011-121 900483-012-132 900483-016-176 900483-015-165 900483-010-110 900483-014-154 900483-009-099 900483-012-044 900483-014-066 900483-016-088 900483-013-055 900483-015-077 900483-009-011 900483-010-022 900483-011-033 900483-014-147 900483-009-092 900483-016-169 900483-012-125 900483-010-103 900483-015-158 900483-011-114 900483-013-136 900483-014-059 900483-016-081 900483-009-004 900483-012-037 900483-015-070 900483-013-048 900483-011-026 900483-010-015 900483-013-134 900483-010-101 900483-011-112 900483-016-167 900483-012-123 900483-009-090 900483-015-156 900483-014-145 900483-014-057 900483-009-002 900483-015-068 900483-010-013 900483-016-079 900483-012-035 900483-011-024 900483-013-046 900483-011-113 900483-012-124 900483-015-157 900483-016-168 900483-013-135 900483-009-091 900483-010-102 900483-014-146 900483-013-047 900483-010-014 900483-009-003 900483-014-058 900483-016-080 900483-015-069 900483-011-025 900483-012-036 900483-014-150 900483-016-172 900483-012-128 900483-015-161 900483-009-095 900483-010-106 900483-013-139 900483-011-117 900483-014-062 900483-009-007 900483-010-018 900483-012-040 900483-011-029 900483-016-084 900483-015-073 900483-013-051 900483-011-119 900483-010-108 900483-013-141 900483-015-163 900483-009-097 900483-014-152 900483-012-130 900483-016-174 900483-014-064 900483-010-020 900483-009-009 900483-012-042 900483-015-075 900483-013-053 900483-016-086 900483-011-031 900483-009-093 900483-014-148 900483-013-137 900483-010-104 900483-016-170 900483-012-126 900483-011-115 900483-015-159 900483-016-082 900483-010-016 900483-015-071 900483-011-027 900483-012-038 900483-014-060 900483-009-005 900483-013-049 900483-016-166 900483-013-133 900483-009-089 900483-012-122 900483-014-144 900483-010-100 900483-011-111 900483-015-155 900483-014-056 900483-013-045 900483-011-023 900483-012-034 900483-010-012 900483-009-001 900483-016-078 900483-016-173 900483-014-151 900483-013-140 900483-015-162 900483-012-129 900483-011-118 900483-009-096 900483-010-107 900483-016-085 900483-010-019 900483-014-063 900483-009-008 900483-011-030 900483-013-052 900483-015-074 900483-012-041 900483-010-105 900483-014-149 900483-009-094 900483-016-171 900483-015-160 900483-011-116 900483-012-127 900483-013-138 900483-009-006 900483-016-083 900483-015-072 900483-012-039 900483-011-028 900483-010-017 900483-013-050 900483-014-061 OldMAPool001 OldMAPool002 OldMAPool003 OldMAPool004 OldMAPool005 OldMAPool006 OldMAPool007 OldMAPool009 OldMAPool010 OldMAPool011 OldMAPool014 OldMAPool015 OldMAPool016 OldMAPool017 OldMAPool018 OldMAPool019 Factors Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Female Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Basal ganglia | Gender:Male Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Female Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebellum | Gender:Male Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Female Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Cerebral cortex | Gender:Male Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Female Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hippocampus | Gender:Male Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Female Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Hypothalamus | Gender:Male Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Female Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Medulla | Gender:Male Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Female Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Midbrain | Gender:Male Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Female Brain region:Olfactory bulb | Gender:Male Brain region:Olfactory bulb | Gender:Male Brain region:Olfactory bulb | Gender:Male Brain region:Olfactory bulb | Gender:Male Brain region:Olfactory bulb | Gender:Male Brain region:Olfactory bulb | Gender:Male Brain region:Olfactory bulb | Gender:Male Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Female Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Pons | Gender:Male Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Female Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:Thalamus | Gender:Male Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- Brain region:poolQC | Gender:- (-)-N-Acetylneuraminic acid 187674 169833 159947 125305 88161 142339 133851 178111 146652 408154 137609 213644 266254 71235 191051 268402 6803 14107 6113 2960 5971 2975 10653 100 62492 18872 6390 47627 16244 98381 9298 2827 218747 76434 116154 282229 102992 240091 84561 132663 242075 97645 316071 153164 184585 376268 121013 163573 227960 157740 82946 144606 98245 158603 196326 141834 228189 112879 243919 230218 82267 218561 171057 150075 114625 137101 73679 109790 190690 142282 81755 54159 192000 100 129913 221607 222174 123698 128986 221456 100 100 100 100 3122 100 100 100 19351 100 100 5360 100 20652 100 22746 24884 51212 13356 6961 15943 41174 10629 10309 5362 27499 10846 43518 70995 75677 46638 74655 137659 131103 117673 122906 114196 57458 144203 129900 233053 264686 171299 181641 144186 167255 253924 2880 100 100 100 100 100 100 100 2585 100 10146 100 21356 6333 7202 15902 19809 13407 4472 43309 4792 24243 16951 61015 49421 57264 121878 90634 115109 118413 103209 151887 148240 140633 140837 137499 140998 143272 144409 139015 139611 140113 145881 134416 141506 141308 137013 141582 (2R)-3-Hydroxyisovaleroylcarnitine 1062812 1718304 673496 1616459 610188 1161796 1027015 1890427 1087350 1167233 23891 28294 1388987 792943 1572207 998878 20257 1662577 916053 892429 1429946 1381753 1273555 1160049 1171742 1106037 1304249 1725379 1752021 1542997 1273097 1189632 771835 1540296 28449 670038 740018 1963113 995093 690584 961213 838071 1771540 1332243 1006450 727791 1012681 998976 1611433 838558 587867 784843 741934 2012461 33525 748595 1177635 1170929 14042 1226807 951988 20408 1079516 1266222 960007 1303548 808787 828155 1655378 1230804 709012 833177 826328 1465930 845666 18642 1078087 33868 1073354 19773 1681271 1724181 919544 1521710 2479000 1434390 1038763 1218706 1452448 1494184 1100267 1276486 43739 1663550 2074854 30234 1974200 757470 899662 1087107 780443 1016087 1044680 23748 942231 1185695 1296350 1027283 1201023 1241152 1080825 11066 587220 880430 649594 38223 460329 987601 37351 634728 1110805 791939 26418 617516 670582 635673 669301 33098 1003120 1032197 1011756 1189709 1185542 41274 1223726 1102355 1242863 1029156 1241895 1394451 743949 1619949 1046356 1118329 871124 1541651 1052940 1033400 1094667 1024279 870949 982073 1044191 29891 1348060 20108 911290 1024697 1014712 977850 1102734 1039263 1063763 1118026 1096156 1036470 545731 1027534 764608 551422 1128666 1093187 992479 1122864 1142788 (3-Carboxypropyl)trimethylammonium cation 4247130 4226711 2240054 3241636 1839973 6024635 4015397 4415817 3802480 6604393 4561548 6013512 6297848 4453610 3499562 4005624 2018709 3048391 1876978 1974060 2297481 1863668 2532143 1975154 2877377 2155070 2712876 4321358 2465317 4256553 2836717 2388971 2024114 5232916 4945099 2720054 2532150 4623871 2910492 3140658 5260611 2988008 5257263 5535379 4314509 3961008 4107355 3106856 4322686 2479276 1953854 2389495 2893562 4537891 3223730 2418749 4309907 3642135 3348387 4106634 3681505 4265170 5770750 3606547 1239631 1760388 668497 1431660 2369374 3481379 1348237 1104514 2022829 1077033 2220732 2329453 2245913 2009611 1594186 3021427 1904913 2051925 981581 878633 1932006 935033 521948 1319311 1927720 1188280 1313790 1714747 1003029 1865937 1435756 1389864 1636047 409622 1701188 1400745 667082 788335 1544148 1846745 1245355 1065601 947183 1607554 1577682 1697726 1217381 1474776 2296153 2350964 1625880 1558499 1689457 3084153 2526843 2124741 4714455 3768146 3660662 2671550 2231904 3099947 3008122 1231942 821078 631768 626785 657520 1205041 1646959 1076104 1188014 493972 1179218 1123094 1364974 1028148 1636194 957632 2833270 1651028 2573836 2023268 1802739 2702636 1841381 1971185 2491363 2288735 3273444 3204248 2576614 2375635 2536429 2653378 2696267 2708916 2781572 2672908 2745447 2722689 2614299 2784812 2735115 2664495 2724379 2779171 2599054 2720905 2734054 2732610 .gamma.-Aminobutyric acid 3172159 7492871 3422848 4596112 2884417 6254358 3121175 5769216 2011042 5212795 3994172 2859325 4871496 2945273 7091378 2969379 2940452 3574967 3868996 4024069 2684725 2788836 3511495 2667588 3120427 4435438 4413383 4090689 3119798 3737237 3854496 3137521 3831565 3597329 3413495 4489302 3625202 4321757 3356844 2873337 3337099 2907742 3740554 5052351 4344113 3848905 3051791 2415612 4333007 2715707 2170240 2678238 2456013 3758433 2876900 2334036 3086415 2194634 4078454 2604611 2643533 3445152 4899513 2244248 4818944 7422190 6069103 4544983 7067690 11836075 4562713 4007975 5486607 2573744 6330712 7006897 7788844 5949449 4183199 6453601 4610091 3356681 3413336 2089761 2906831 2165267 2616830 3285916 4026188 2942745 3324521 2280568 2346380 3792883 2687871 2847300 5267476 2930289 7347408 5365871 3513138 5820309 6798909 5425940 6040320 4731330 4079873 5512049 6622111 6414116 5491322 6285837 8842989 10159142 7876513 8519443 8806369 11294021 12727727 10185325 13233603 15640031 13590472 11581332 9360991 13664974 13356216 3489367 2607157 2260249 2291435 3266960 2860695 2832526 2220705 3573144 1885220 2205996 2806162 4545563 2300404 4442588 3163088 4865286 3252311 4959600 3921803 4293400 5827387 4809469 4008522 5357821 4507607 5287634 5850831 4597135 4954386 4679135 4031910 4394777 4542298 4464331 4537040 4606492 4404301 4513424 4451191 4474657 4622280 4545216 4535031 4549363 4446267 4513382 4544563 1,5-Hexadien-3-ol 678402 696112 756059 678757 811855 795589 658953 660395 766530 660383 600415 666236 663996 591232 614177 755111 732991 830678 690016 690389 612844 820079 682080 636629 605360 619517 662829 613857 690572 633288 679550 609730 899588 639330 718073 735148 781967 745930 724834 743369 601834 592378 644727 563235 745626 593974 750431 633500 703779 706581 569447 782366 833997 642500 655069 749093 607544 684673 645655 592025 840485 733809 550980 690678 841837 571584 759340 728970 753059 658479 745857 727250 784737 638275 612720 663625 616789 620879 781626 570395 758940 797606 729098 688002 676862 708427 795504 744625 648216 618172 674874 695995 779918 663646 675819 587188 686574 830371 767795 691241 661981 771595 640253 815276 627177 599261 825901 676423 621187 652856 532384 580066 539158 825932 601003 721877 552428 842130 668434 729396 576380 602946 699857 571213 545853 625896 713726 760625 786051 645266 733436 685454 617573 725620 774631 788498 821929 676976 772999 719445 552623 728278 721356 704331 583937 742600 782664 592249 720164 786312 747687 570930 765503 753733 667595 608477 566101 756960 737388 789810 800911 841137 807982 777266 845816 836844 829836 872196 861486 814904 806385 829305 890607 784306 839795 1,5-Pentanediamine 876188 763431 1001354 594315 315464 896457 919759 881390 2166635 980003 598513 922592 842193 1066378 750942 936765 1151257 914384 1148865 1115399 778605 826169 849745 846042 1075297 1307779 1121323 1097674 929859 1442439 935744 1188418 1024555 1036717 914617 1239586 1307478 1343769 685266 1463542 1292766 891179 1348453 1191962 1250438 1016495 946755 1060236 953406 1170685 740455 948050 953587 858574 769742 712343 927261 763324 1082211 913901 962400 776161 1098407 723585 1336840 1486594 2152210 1099993 1623448 1748190 1325741 895427 1234137 1328054 1766643 1724583 1952544 1458616 1226431 1556575 947756 915224 1253753 561545 1034976 602755 1350984 861232 1494905 756026 1113712 626233 1105282 1486508 827823 930511 1183405 1449304 1838610 1378566 1608407 2531086 1766145 1349211 1451237 1451444 863505 2110174 1302676 1479732 1332291 1594703 1509999 885656 908876 893721 613536 1068127 789425 1184824 1374334 912582 769525 1131268 800111 866646 999554 1348665 892611 1145879 1334323 2001142 1340214 1737983 947339 1020581 968447 979618 1426295 1425473 2210447 1249949 1535966 1329565 1073668 1404420 1259968 765012 1334154 2014594 1398453 1132799 943824 1341354 1139336 1344106 1214185 1210059 1398290 920097 919156 855323 860621 862814 853090 850501 854416 865735 841604 883122 857882 807932 904165 865568 852775 10-Hydroxy-2-decenoic acid 302843 311734 297326 352093 375721 306523 302262 295820 351372 267170 333285 321007 325191 310271 309561 296346 316140 323531 267738 308260 309284 324244 299587 341018 274011 304237 327796 340163 283804 273616 357278 312560 293647 309053 305303 274070 305077 284898 313827 283559 279409 310512 313936 264787 298078 340734 323485 324623 303053 308643 387010 279736 365909 312023 340010 284466 309329 309498 319323 264246 262271 296885 346843 319756 321894 333455 313886 346749 296922 271430 353702 342739 328798 326999 299473 286799 307066 305905 303917 302179 310156 317005 339062 410066 328454 338711 291672 313659 246436 315387 332164 270645 318873 296919 303829 311118 295534 316388 263570 303627 329685 281126 264693 277581 294287 292413 336437 287965 290874 306410 337201 278555 284748 266452 449467 345767 356015 315869 326883 287932 272345 271770 318879 366610 335546 304396 326209 315542 312818 347201 326357 286078 291047 282027 321315 306803 340975 313519 334464 302945 261295 230887 327517 301754 343741 329184 315739 314786 332720 278224 261459 287258 282018 314984 275313 311665 300262 310701 351558 314032 367418 396372 394186 372844 391117 379921 365909 398659 394401 362209 372245 380423 357776 371913 367769 13-Keto-9Z,11E-octadecadienoic acid 325606 311852 370724 315080 296316 241919 264559 251583 262804 273395 177782 304574 264604 197931 223098 272671 281134 240870 289051 268605 296315 217213 251880 338029 224453 291507 367286 257457 250745 242571 250461 261126 292990 256003 270116 378199 259332 246849 286537 275815 300194 220967 285512 205149 319587 280516 206722 186758 239754 236513 293485 380964 450206 247491 213964 279899 262336 227927 255713 227079 266362 322155 219769 186045 287804 322466 238529 22706 286943 224176 270549 331217 255407 273361 225361 215731 285979 194461 243493 236349 282216 236524 293700 314661 11185 281550 245115 78376 275594 276981 246307 273940 279785 191241 275919 181019 214930 338376 295965 190716 356438 250432 226166 272877 160281 233670 292696 255136 227982 245056 152338 220478 268235 481118 681287 320001 514752 12866 271239 221100 344757 261212 269968 354800 199063 207229 295110 19407 281381 268148 295805 266985 232295 279557 289485 229605 234686 223559 219416 183300 601063 248199 232493 253880 322006 226882 343647 314076 164906 281693 266806 217560 180371 230262 239343 315021 165611 161571 311319 407283 385554 366168 355343 391472 420589 371105 377200 381206 402010 376835 84688 370685 360869 366717 413301 1-Cycloheptyl-4-piperidinamine 101085 45578 230539 217587 68798 60678 28788 12902 4153 21615 35935 21202 31042 28342 28160 45534 130690 36048 132713 39307 42573 50609 38103 246444 18714 12018 42665 71830 26682 39541 30207 48459 177490 46383 23936 52412 44872 94300 84267 41535 19552 34264 19633 26325 109682 48676 31525 20445 55333 25495 82329 91306 131252 34852 76911 44419 41479 25261 27917 32948 223303 22718 17089 35914 13840 52134 43237 50383 69818 48287 72295 10117 49224 17545 22507 15773 52416 43039 41656 33432 20689 41934 85386 103112 21845 63696 64020 101864 41481 51484 15467 23907 17558 33607 59595 39281 32366 40940 44907 41353 109329 36530 37226 88539 41182 40174 19240 27868 23542 25211 26183 10545 95884 147931 40059 92784 149461 113194 45981 49851 27403 46216 49954 48396 41042 52311 26365 130592 20818 61100 47564 47663 38832 40626 26942 16185 35691 30124 25423 51088 100 25626 16002 12269 36719 53918 76081 96432 45816 25391 170531 19042 45743 22103 15091 19249 40588 20657 35642 605173 606876 536672 531057 532398 490170 528979 558672 564743 571371 540547 545808 525899 530918 516412 529339 1-Methylnicotinamide 961188 1391342 1250483 1122833 760853 1215254 1161418 982767 766832 1624496 882840 745094 926778 606047 1123734 846913 430822 424923 512140 573751 506854 446352 471135 12758110 473068 503945 427066 503220 430970 382790 880087 503539 1797055 1030168 1007889 1427052 943106 858193 970397 721686 1054437 491777 1118130 573935 940564 950184 941410 544544 3523466 1970294 1285267 1421089 1163452 1813356 1828337 946233 930278 752902 4154170 1331016 1171885 1210620 1990850 876801 892794 1131603 1006149 728623 1046143 1598969 768096 741102 826703 435997 720460 994301 1127658 647295 699588 738211 606368 666614 512208 363001 625312 438282 523141 498897 652322 589116 444377 537493 335922 643327 423138 523066 443041 341620 519540 566805 460155 444286 529836 603785 438045 362469 377073 542825 446034 523955 463417 475887 1655718 1729939 783463 1713733 1003986 1508335 1450944 1434859 1392509 965105 1350688 785355 849924 710102 1000662 415330 388336 414473 359454 370448 586757 456959 414180 459924 510346 577635 440720 447486 331027 413555 281773 640846 493627 575385 550950 566245 690579 486002 493982 641316 444270 529190 747708 524540 488426 420063 564344 737856 750920 749371 764682 764201 801727 746864 787907 754908 768058 769122 756215 814809 760021 777016 767538 2,5-Hexanedione 1699950 1698971 1789234 1799408 1941904 1801596 1862952 1860995 1952867 1904779 1837048 2178019 1813800 2417583 2365017 2219800 1879985 1772826 1922759 1867449 1906895 1765539 1832655 2094219 2158291 1823354 1716252 2159270 1900827 2217416 2136474 2293422 1663985 1904636 1976273 1760503 2159235 1971719 2189897 2169650 2087295 2181754 1895702 2356780 1816193 1916880 1768883 1925039 1860913 1576546 2570326 2047997 2161037 1406283 1888996 1981476 1988677 2167533 2053152 1802856 1934583 1940417 2175589 1972410 1784872 1995040 1733509 2531223 1739272 1692549 1863012 1774809 1742520 2074928 2257020 2110014 2089097 1880451 1859321 2185823 1314938 2005505 1339812 2050018 1867654 2613633 1766868 2716246 1846044 2162424 2069266 1851102 1325000 2312781 1779962 2026454 1843941 1827409 1759830 1718730 2333181 1639739 1215824 1976431 1909649 2193452 1873305 2240471 1881030 2003259 2153443 1962894 1809067 2024106 2248680 1713780 2083363 1906605 1938438 1722005 2139364 2146527 2207373 1769184 1962282 2192383 1926984 2538586 1712111 1866886 2056117 1802766 1229239 1782384 1853486 1850956 2156873 1815222 2072436 2134741 1597190 1834483 2089872 1808961 2439514 1758984 1929549 2611933 1260939 1543511 1701669 1975035 1959430 1894296 1932542 1881998 2168789 1945491 1931243 2035839 2046324 2043775 1937824 1955153 2084959 2013419 2066005 1683164 1950452 2036631 2092359 2021088 2042652 2001471 1987115 2,6-Diaminopimelic acid 233281 319062 143757 195631 81097 332758 224129 294180 463435 457969 259031 629997 838275 471570 294894 261353 147750 240847 226694 293885 155065 262636 174164 232798 193807 147891 178376 151228 472124 173344 400642 388975 160680 377136 259591 166534 208924 363258 215247 255368 392114 153570 246478 264798 182871 201382 268841 360505 226316 155689 95321 81457 129165 239997 163265 124172 222567 274902 181028 182006 114139 162033 217636 171591 189513 182647 176543 144754 204078 187343 269092 186305 435174 1180351 290890 304605 242590 210446 419605 367023 704978 1003705 910647 744798 823619 1289315 901985 1712962 1873340 980201 1180829 946203 973015 1178017 911020 1183554 233953 196424 425486 436410 231145 240581 501820 605179 390019 610109 665624 316493 276448 543149 215262 427545 126968 216831 207879 138644 188368 270403 184934 147499 571017 366762 216306 207032 176619 188862 320317 1221770 459573 891970 951562 426584 742194 778579 474364 469362 739469 1129428 790497 1023450 456629 1781562 721507 402172 195091 301832 415519 352094 385688 271931 239407 621800 252440 804904 1324979 535357 519946 991604 853941 230071 208255 211453 220046 213500 203445 218613 207656 206343 205934 200353 208200 213551 204189 207452 213875 2’-deoxyadenosine 1013 973 1014 1050 1107 969 1013 968 1024 990 981 1003 996 989 976 1000 1030 1064 1009 1014 1063 1006 1064 976 1054 1026 1046 973 1086 973 1047 1078 995 972 968 1010 981 989 966 1022 1021 993 998 981 1010 994 996 1008 952 1005 1093 997 1026 973 964 1008 1001 1000 986 1005 998 1012 976 1004 1054 1049 1045 1111 1097 1001 1096 1107 1114 1049 1089 1010 1013 1134 1103 1031 1006 1044 1009 1078 1092 1120 1008 1083 1057 1093 1034 1100 1011 1029 1097 1105 1081 1132 1030 1033 1115 1051 1024 1104 1074 1069 1108 1069 1035 1039 1036 1020 1003 994 1058 1081 1067 1045 1035 987 1012 1071 1031 1000 1059 1062 1045 995 1076 1008 1000 1006 1050 989 1074 1152 1071 1103 1055 1024 1001 1028 995 1039 1061 1012 1005 1097 1032 1046 1022 1031 1016 997 1005 1084 1015 976 988 974 1023 1048 1037 1007 1004 1018 1061 1100 1134 1071 1121 996 939 994 1027 2-Acetylpyrazine 54150 60521 84183 61192 48643 54881 52061 60531 286205 33249 50556 63387 58483 64283 61032 46562 60081 75233 37621 47257 56881 29222 54831 65115 38214 62976 68133 195214 57791 74449 56733 47427 67565 49012 62575 70832 56140 73264 73474 52406 82924 32100 60858 58420 30545 43665 48435 50427 40725 54517 64112 42989 87481 70662 67442 43733 86274 54973 56594 53563 60939 50031 75915 34977 33932 55643 69313 78604 90279 96307 89862 37458 51128 63127 81957 52215 54515 57700 40867 66139 80136 57369 61445 58858 43953 50870 85501 51961 86665 60167 54172 61860 39142 70487 33106 61549 55213 54594 68036 52827 53037 98118 95266 52854 64310 58902 61876 65574 62497 64606 47238 56550 49587 35091 60975 54369 52121 51174 56443 57615 66218 38617 52947 52381 53656 94139 55108 54479 57314 59869 42118 66084 45160 86798 41155 67799 55846 58220 69342 64073 5398681 60531 78759 75283 62148 43164 51379 56765 84126 96195 59210 54802 61872 49237 50202 65112 166859 62946 72383 54440 67071 71951 57046 61189 67449 60401 55735 69483 60764 63080 60891 40067 70993 61455 68111 2-Amino-1-phenylethanol 2268391 2331993 2025513 1211194 1048339 2423920 2120009 2805036 1648268 2248544 1994291 2255444 1821870 2764765 1933512 2333510 3382708 2958750 2704037 2737159 2256698 2339917 2464463 1979244 2709099 3063566 3681173 3337141 1804824 3291322 1879317 2199360 2733975 2334470 2024668 2845297 2869361 2551979 1731987 3578169 4353043 1716457 2426778 2285838 2742965 1977571 2038526 2609894 2385310 2524089 1408882 2367678 2394702 1932751 1744461 1655000 1755576 1323956 2351964 2173296 1809843 1481652 1948508 1698381 2397390 2920547 3974999 1866540 3558598 6621849 2930770 2299249 2515962 3250642 3109948 3624767 3472364 2692876 2570743 3630526 2352597 2170378 2875924 1152733 2939995 1704205 3919661 2001705 3209568 2088783 2980757 1783092 1691514 3938951 1742748 1821231 2551832 2702776 4019741 3323401 1745595 5518546 4081097 2358183 4015225 2705867 1536879 3930951 3904985 4147370 2812281 3351161 3102111 2040357 1697665 2261535 1403029 2365236 1824492 1493569 3861822 2237906 1271102 2178441 1329374 1675459 1978442 3129609 2531452 2851942 2795673 4618842 3621463 4366633 2214027 2040135 2433183 2066843 3257852 3708429 5423116 2441541 3297036 3600369 2637031 2823079 2739861 1840516 3419427 6225828 3316038 2558735 2148374 2734088 2710120 2329089 2501586 2165033 3020416 1918152 1695059 1832600 1737745 1790942 1751288 1833800 1882595 1747531 1818966 1687712 1788224 1735672 1868639 1785617 1760763 2-Aminoethanethiol 195486 189572 181730 148546 138648 229147 166464 198704 163698 220994 218650 205038 229877 140247 177997 174808 203670 189382 172516 174889 196497 186465 196937 181418 203164 199479 199706 250798 153460 206474 156291 144422 169082 198977 210446 197927 155857 186862 152804 180861 209186 130178 210894 165816 195020 190614 171012 187656 177067 175244 158289 185216 185367 235108 210052 134462 178415 132035 182565 182802 154186 132695 194950 171873 175282 213213 156013 182015 196031 220945 176861 151266 223091 174675 181898 184409 156639 226920 170378 179281 212702 225864 178583 176299 209813 146168 189478 171453 192972 151636 198069 154127 178085 187184 210284 187297 185946 164276 217751 164583 164456 169537 209859 182985 191297 169950 156232 170009 185104 195476 178386 168680 181451 168019 164854 186768 156235 228529 189010 159838 242273 191281 194718 170960 162324 213631 185165 147528 152057 199230 126492 177813 212301 173314 165302 168509 127261 186754 161103 166784 139422 146351 166380 193862 199621 175807 183016 157300 191910 228500 168210 184870 149434 181776 182157 185519 199136 205238 187250 229460 232644 244993 233075 227810 238115 232450 231262 242952 225198 217725 241050 241301 223224 234356 242118 2-Arachidonoylglycerol 17865 50920 21627 15126 16440 72411 18710 45831 2236 13677 61016 100 25097 110063 146146 6063 18542 41748 29822 14422 37170 33866 54780 36914 4636 51597 11594 6522 14005 1927 100 12298 44196 59329 65924 58823 11144 72054 21600 26177 10803 23475 14728 43141 16583 10787 21661 3177 80285 27448 24919 25674 15086 39269 39106 25085 100 21557 16827 4209 10218 11933 1911 2977 23033 94325 33492 47159 70485 68575 15612 43034 42439 21417 39935 11602 5773 41614 13822 5531 51095 66342 15884 8894 52213 7196 26354 18521 19892 22885 9207 100 4931 4621 30869 100 53495 7766 27306 85355 10166 23264 42622 6657 52698 12756 7268 100 3990 100 26553 100 54621 28914 12379 47118 27047 65814 34998 38281 7942 5671 4996 5147 12523 5468 21842 38323 6591 24459 25126 10870 89138 43971 22412 24087 7176 11670 24192 100 1632 18704 100 72750 18918 27712 57227 14976 64294 39457 27931 22109 43620 12347 2255 100 49748 2991 9749 100 3277 2203 3685 2651 100 3793 100 2947 4292 3226 100 3470 2062 3738 3109 2-Benzothiazolesulfonic acid 78067 79492 198706 325442 65426 105748 60242 38669 89164 125794 167027 81279 178710 124473 132703 85411 78071 42314 123810 224113 45706 91139 48421 220143 59176 26243 133959 89169 97150 54250 109779 86091 349642 62899 45412 546868 146300 46627 89189 90984 48398 62382 174135 53351 64247 108952 149083 66096 148896 196522 49040 294647 198168 79452 51516 160467 92357 67111 125036 61845 37803 116902 193976 92504 88277 173829 114253 72666 48782 88794 98684 40857 82078 79129 71473 107200 89899 45556 61683 54469 64792 36108 496349 78788 49191 40048 101369 36673 24977 70598 126710 106054 88834 45888 20882 147606 43878 84051 111050 47528 55943 130984 45512 58061 30319 50738 70022 112968 147395 73985 97031 42560 88941 99787 36691 75842 68395 57164 44691 120364 61317 84800 84049 126635 183127 435421 50415 89646 63072 98269 31417 90526 68071 40423 237038 77904 87152 156221 101374 67702 24328 43042 75332 61050 47634 60012 163977 92041 57559 75075 115418 72809 87553 110957 53655 108250 86236 44862 39749 666770 1054898 961358 1031748 854989 883266 768585 563282 886181 895031 979711 1063476 997877 968352 736442 724049 2'-Deoxycytidine 108398 96475 51863 55666 31248 106356 63733 134570 44879 112940 95306 71093 82279 73940 71146 43197 91900 168913 31320 39635 277306 8031 113392 39376 14813 189359 140939 68782 3679 35042 13836 38157 70532 189584 140894 54082 168905 135436 100181 92758 247057 108304 92973 130459 85663 82235 66155 79372 128833 147970 76758 66635 98879 140309 107822 57806 104932 89954 95306 101347 65410 88794 136783 86767 22194 47939 75780 16049 59068 57300 20567 22260 7136 13809 15047 6638 20374 23281 4393 26011 47023 50533 38363 10600 68116 18548 70032 47083 7650 9449 8803 3255 11110 24759 95747 13707 119382 39391 193813 150914 14027 60890 90164 11699 131219 4559 4681 43958 114817 46322 45724 46533 335305 176860 220232 265937 191771 375761 257312 243729 306530 301453 262263 345789 256057 275814 174173 28464 7593 53157 6621 30994 36748 20138 10308 1525 13406 100 17122 44115 77693 23137 29636 69076 26154 78201 28793 26749 58113 126739 40333 40741 32994 27592 12161 10050 39924 17537 19049 154925 164570 172432 157760 171659 161200 172064 166211 165187 158650 161892 170652 167963 170477 166825 168975 2-Methoxy-4-vinylphenol 182391 132486 391301 88664 100711 91799 475090 41112 28896 6717 45517 21996 15896 23205 42135 27375 261596 60752 288038 210378 50496 118694 51591 143701 7625 54289 38552 11066 15858 100 5074 16570 307438 32941 85925 171142 354875 33145 372072 499611 14867 43381 100 23634 111773 9907 28032 31630 95884 127383 88916 58007 147843 61595 58462 65567 40073 22054 21994 7888 42920 31957 20395 22066 213586 148636 245394 107740 54551 84527 164332 49654 52380 24811 19078 28812 32746 78891 28200 11923 17020 32790 123352 125142 26773 128600 66968 48391 17421 17506 28550 11452 22538 26198 46046 14743 49370 74719 435730 127051 134258 335982 149202 145636 101631 31523 23456 32473 42139 29730 25373 16418 156664 339928 116873 81174 211729 170755 132845 203737 6705 18930 39330 40397 57407 9080 26593 54013 57483 56065 81737 85663 39777 53869 53796 35944 22877 21833 30738 39822 29026 23911 30482 43792 146083 70236 86190 208156 51988 135908 180481 38687 42352 23375 13758 21413 41761 15941 28449 21337 23847 21288 26687 26872 31292 18914 15503 23417 28558 26871 27637 20207 27326 20585 26175 2'-O-Methylguanosine 110919 76574 120746 91250 160581 84888 76350 84432 152881 61919 130713 60647 80783 74427 56226 81687 79027 74279 77721 109140 72075 58124 75987 91088 69023 100124 65602 88578 50354 59460 60949 60030 83541 87896 91413 111848 97401 68654 116335 78268 61118 83449 74975 73357 74481 57493 64810 48639 92380 106101 101234 170654 131763 103576 80647 88465 99401 80688 64897 117563 73861 51087 71425 111151 97156 81248 67375 168313 89047 78328 80958 97125 84460 52651 75587 68434 76129 87141 44399 93255 92420 69187 114189 113835 66651 49709 99841 77083 60981 64710 53383 48554 57683 63652 44854 39517 75094 176452 78383 75535 136662 76369 78824 84288 63406 86133 50458 62127 92350 89240 66683 64333 183140 80312 89163 100445 151873 82552 85888 108200 83339 93312 71978 78502 72066 99437 66546 93724 88520 64465 54535 84589 84682 77742 106983 78155 63152 65716 79743 65369 78551 61502 57296 76889 70212 87900 83528 77684 72942 144464 81148 66646 71394 69740 73571 85849 75553 93362 80561 77971 59009 80787 99058 85816 87533 82103 78638 70559 70394 85515 84403 81397 76102 92444 83390 2-Pyridone 60096 46112 49483 56256 55456 49783 58268 56785 156272 46379 52777 230824 64786 367378 391600 180025 49962 46740 54764 53778 50408 43342 50914 53352 233274 54019 333023 242036 45255 270677 195958 439993 48415 59310 50539 43048 55338 50991 63376 58469 230360 290317 48919 328924 53206 203658 427637 147679 65425 56457 50712 50380 51366 61513 54656 53578 192955 368212 340858 201879 46249 56498 220481 177305 43698 51474 55908 53611 49875 51268 52137 58854 49185 318468 354439 241138 251912 50650 51165 210109 50730 54163 53052 49754 51518 45906 47513 44509 49682 361524 403723 170934 42098 197864 53465 205119 55020 49951 47056 48683 52531 47366 45624 53907 49629 308272 48857 246464 174077 189469 449639 234097 60558 56018 42383 56650 53880 53842 52148 56060 240049 241357 424431 148518 379797 395422 55020 47250 49619 48801 47384 50092 55420 43319 60993 55599 321330 49727 324396 196682 143337 52572 173702 48899 45117 51181 53592 51341 54492 51729 44442 407351 56723 50245 218137 186203 413155 179985 51689 104042 112895 112076 105147 108057 107823 103109 95097 101246 103111 102242 103617 107928 107181 108959 103775 2S-Amino-4E-octadecene-1,3S-diol 365919 407549 409443 646828 324224 453043 630090 370147 671940 839848 571335 725070 1167597 646374 668231 477520 702805 302476 752862 351770 431695 517836 282634 345499 475790 714419 830629 408659 942408 720887 803303 673167 507600 526941 441837 321473 440521 408974 76773 462210 743740 636444 807565 712952 674277 393439 926695 597857 509886 402728 433845 440808 541477 491928 478559 496018 687221 899937 558269 701949 335716 791074 1719409 446862 640433 467344 413358 422228 454556 434633 506249 511245 907152 901053 690762 827230 935395 720200 1020627 1019699 89580 122112 270055 276736 133013 319602 310484 221114 1172912 572037 813849 605616 774891 504257 321650 641476 572131 611017 568801 531049 381687 517029 347418 554259 626284 788146 1515881 847040 516526 963221 918382 881165 475923 451060 179225 224294 193082 304130 269274 290960 287258 446459 356635 318612 397503 280406 338245 211423 675579 305865 339106 275801 270585 607040 683169 630742 675401 1185556 1103045 1111080 1831630 1279834 1011613 363796 638324 761979 551480 549495 215011 735538 489797 1190579 796538 1512502 769368 1199857 1016016 1039139 1012401 1796920 1777754 1618974 1695883 1644023 1658452 1722308 1645207 1743789 1700696 1796234 1730575 1653266 1595897 1577547 1649200 3-Dehydrocarnitine 76913 93681 75625 105270 97468 83249 84342 85567 77584 90129 91958 68980 84628 84595 109511 91104 118807 120603 114971 113966 140178 123169 114859 118005 132508 110130 130987 132362 110915 148951 130487 134465 90510 91447 87655 79343 73684 80478 90897 90200 91503 83642 75985 81010 91494 73039 85127 80660 93598 68861 82537 81617 88110 93296 95860 84110 89467 89818 85984 98885 101329 88869 87062 101135 90888 97548 94628 100998 96535 103178 86761 95546 99978 97915 100389 105791 108211 97389 95993 95126 140230 111270 91488 95571 109921 106564 101891 110581 115098 106054 102589 107638 103369 111851 108733 94280 106748 102673 88362 97892 95636 74701 97586 106418 98942 98199 93920 109764 99434 100969 97994 94032 87514 85077 89367 92860 89050 86709 92211 95878 109351 95889 114591 88120 98067 171819 79621 98375 107609 90102 95194 90267 113091 101042 105477 110360 91855 96078 109102 117287 87365 121020 92361 93502 91247 90685 83633 103740 98868 72615 85201 106892 90920 94376 91743 100688 101440 87829 93763 109985 107895 107148 110042 108878 107854 108608 109659 105911 109438 109767 106199 109931 106734 107268 111024 3-Hydroxybutyrylcarnitine 1077502 1406062 1563225 1199966 765382 1965952 1186533 1754613 1239177 1479093 1528595 1559531 2019294 1580136 1433342 1150573 764372 1338973 633972 2516930 2174545 825766 1047643 826317 1388618 985132 1103072 1980792 1326560 1754596 1416564 1314062 551801 1411118 1443150 652448 2235199 1145245 916850 419365 1110186 807527 1055051 1015523 879384 722967 534338 725169 1599844 2586469 576704 907249 773289 1546867 1165738 931285 1240499 1065622 849946 1096012 847390 997684 1323937 1139998 765074 1052879 2214248 724970 1893941 2043426 820956 797090 1441773 1177701 1742165 1616813 1696759 1362479 1407251 1262846 1504082 2467392 718283 1289405 1912968 961496 1883499 2127042 1185818 1613524 1225480 1448326 1298308 1460510 1098642 1270058 1304677 967273 686072 1746003 1136892 2527951 1297785 2576345 923140 1625392 1952653 2256574 1020801 1093031 1540255 1259091 627497 511603 548043 2240847 388268 618861 548023 631591 1131361 523821 534246 461115 512388 720397 683611 1418639 1032084 705491 928923 1917631 1299029 1823319 1309665 1230402 990516 1423212 1131571 586507 865653 1505069 1028220 1585785 704937 1772370 892191 905865 935314 1893687 716958 1405419 947969 1439062 1887274 1170986 829598 1376338 1414643 1048957 1106647 1001128 1027513 1049263 984345 1040100 1066085 1030784 1034014 1053574 1056266 1053103 1042286 1013340 1029968 3-Methoxytyramine 1259920 2196540 426727 124243 122971 1622251 800441 1335293 633865 2375829 1577395 1710671 1919563 704132 415654 737522 100 100 100 100 100 100 100 100 100 100 100 2836 100 100 100 100 17391 2712 2257 25522 100 121789 2052 2657 9496 42627 25892 22716 3012 8290 5208 2489 100 100 3630 100 100 100 100 100 2233 100 3209 100 100 100 100 100 3494 22557 3237 40195 43332 27618 100 3583 53835 100 5925 43121 21397 53736 4530 13824 12077 4751 3031 100 7370 100 100 2615 2998 6111 100 100 100 3584 100 2627 9834 2938 100 7792 5379 100 30891 3380 4863 100 8427 7308 100 7938 100 5056 6065 16566 23075 41856 24583 30291 46187 18796 92476 11565 45474 14479 59726 79722 41936 6433 3348 100 5193 100 100 5084 7690 9490 100 2704 2691 2448 4993 6561 3562 80555 2804 229148 45766 94755 97472 2322 100 18813 34024 14941 105678 29619 15710 44735 59022 219446 215770 219408 207763 212946 221689 229903 205697 215969 209561 215554 211840 209225 202973 219817 209136 3-Methylcrotonylglycine 333473 1317194 768785 674036 654371 747142 630743 814382 75930 222095 759695 70187 208505 572197 2491130 41119 685937 335354 751733 264959 182418 223207 240274 271143 143866 440314 972731 198307 195034 203259 173142 702674 1153953 840237 579244 1080132 1823147 500036 1148156 583849 126650 643748 613379 1231525 1067391 82762 818183 65392 612481 206010 430714 375310 676756 371609 504566 395995 170288 564680 1057745 174989 535480 254197 232882 94187 808446 1576488 822785 744750 743275 975478 796600 869547 475192 700431 1495415 285182 240334 747316 402965 188239 325796 255260 349909 249097 275354 249858 177808 720352 150727 708772 901839 155077 102314 175254 244704 92845 621665 300151 1345924 947155 665217 955519 651044 666293 616520 1294274 290577 925441 77892 201971 1850054 736761 1069700 1018855 728828 938783 984764 823363 787988 1390626 469629 191761 3453958 328876 2559822 3634378 386183 548255 286810 175132 225024 203310 384368 282369 256881 370236 1384869 164908 446270 79939 82479 199598 150474 502584 368313 568210 747468 581063 614580 1444879 356821 1216982 1094390 417396 220277 148012 1000701 172374 324077 286178 250760 213691 361170 258894 304266 315098 227477 237391 252180 249958 245001 225174 228675 253745 259254 3-Methylcytidine 223158 227173 165424 121390 93377 174543 193714 184281 108969 178786 162597 181186 190295 237588 172928 138118 119656 103993 122763 138051 92251 62611 120217 91308 73088 141264 104838 78406 74030 67961 74490 94853 140897 123635 82760 124626 110790 117076 96976 101922 147125 113849 104888 127028 85331 77481 89398 87221 102883 206527 130016 136816 167959 127208 101270 155853 112573 157066 113844 104072 117928 155508 137927 113052 133057 169325 140688 93027 112771 137579 126664 100651 130839 99393 125435 106474 120146 160575 138160 143701 115405 140642 106179 66071 119480 88692 127766 84216 106904 70627 139379 74908 68333 80691 120324 62793 181739 126778 149551 196288 127067 138451 253606 147113 212537 128273 140943 241864 201324 203672 163319 171176 173898 177565 153181 169500 165044 225753 156637 139329 159519 176182 137802 139057 180518 134857 231225 122607 83733 93224 89753 100828 115707 145108 93306 110734 79953 79631 118659 143579 83675 142706 115512 200199 156124 147551 180883 135914 188182 170359 136653 167802 184768 201607 100341 139924 177783 124166 124197 140490 135494 134524 142908 136213 141899 138795 141660 136154 133228 140560 133749 142247 133822 137041 137593 3-Methylhistidine 520607 657235 977249 606985 494442 715561 534388 693929 891238 1371562 893578 683670 1170306 1654956 1372695 623818 438414 676224 549657 1253226 670758 565747 720462 480067 582672 887662 1636081 1186120 847419 650797 611768 1400594 612767 675142 694814 529044 1332587 696994 546078 531813 874007 1054247 1055791 1403786 853499 909266 701837 558258 904924 1265056 473181 454068 528484 665112 600357 449853 607744 1298456 1529573 630172 718341 969143 679639 945184 461567 601067 1227833 490075 638523 859036 485719 569235 914293 983071 1388932 1088949 582677 795794 871813 692596 692223 579415 475649 457320 636572 392403 799354 508915 1046731 1086418 1410779 720247 776914 601328 687400 447616 521333 345183 478817 580680 445808 910144 718376 521337 661772 1056883 702073 552503 484073 527704 1210634 741758 550310 673581 632484 1164684 554144 689732 822724 588496 1020134 752953 925943 891069 1309488 1684017 1221999 494809 339013 371197 395303 762512 532431 546791 452359 652203 841159 863372 973369 456990 418234 967886 638008 581589 371471 555061 503208 450864 639997 1068141 421350 1236730 716653 1002235 888224 439380 1163620 497880 1086404 524221 536880 532358 519251 510717 509074 513334 513960 544066 536738 522984 524461 524226 530698 533743 540508 3'-O-Methylguanosine 74133 66664 74795 45897 34299 66933 77845 61116 61569 82289 78293 83161 68083 71002 76117 54876 76850 89242 97868 68733 87605 45599 85905 47411 76394 126838 77426 109313 48816 68674 60461 66961 65706 76993 81582 81733 78214 64219 75998 59228 72443 94266 72687 78735 105653 56630 72457 50409 62711 65475 58529 56006 59633 62144 61557 48858 73891 60691 55323 65887 55016 54735 71944 47262 101851 62739 75007 77153 63938 95009 63512 71257 67239 60695 74101 114563 119673 75858 46754 160499 57125 66988 63761 30441 61866 46850 75573 68452 67523 65399 65332 53332 38372 58866 47427 50725 85233 77308 122012 96860 34175 95652 83498 72106 87801 64939 39480 80207 148464 79719 101515 102056 209430 65429 69570 82421 79618 84050 86089 116805 95626 104996 84996 92132 74305 98565 68509 69432 40335 60306 42614 103061 84854 94621 70626 71968 58135 47696 93406 82975 153470 78788 82596 107578 65243 97239 93674 65477 82913 161843 133520 98449 108279 102254 133989 149954 119342 175765 68379 73265 76587 79401 79000 82245 81855 74947 77456 78685 82443 77487 79081 76312 81910 82755 77805 3alpha-Galactobiose 205282 172008 233585 256890 169699 246901 157414 139526 452234 117421 168130 344404 170554 165119 243810 416759 117961 115953 90563 172836 258504 117263 209037 161631 192530 119763 291712 208242 163160 229343 258770 254033 194086 233184 135286 126847 150894 115642 115933 201543 390357 221047 141965 193578 148399 304143 273457 357919 171358 200884 123904 154960 195143 140113 176912 198977 412096 527538 433329 417231 228960 176094 688761 361418 105760 123156 140127 143865 133991 291071 127823 145957 178692 155265 157904 221824 303146 130425 119209 215635 170922 221151 139747 221680 258808 170627 214606 152874 131537 162269 211105 279525 186274 350924 223975 423823 201760 104002 118196 128299 115313 105003 175241 155388 129292 134715 147852 320288 362722 271540 147279 243742 213124 350536 261482 380545 208720 186459 222676 3272897 492784 270146 352998 312701 343649 375944 208651 138618 116216 147868 125668 120828 176076 150461 259175 272535 176578 129060 224798 243365 246076 155290 308221 222250 168951 336650 171505 158688 194631 133763 137207 216248 155513 186839 296918 471459 145331 268184 127862 238760 162087 172985 164168 185394 163383 180980 164507 164483 173527 171043 167739 203347 189537 182207 165263 3'-alpha-Sialyl-N-acetyllactosamine 638781 613798 593764 406208 341712 497850 497641 641610 398128 1440025 459317 735927 926435 245530 827153 957216 56102 73180 50448 39678 53632 66043 77243 55693 227797 67376 61290 169901 77080 306871 65955 29367 855839 266302 449445 1046664 345797 776844 355880 481530 868344 326678 1151201 542117 648001 1234133 475417 579695 778000 618201 297640 506546 343021 566440 713992 504292 744716 389042 849674 717708 267405 840359 579424 518833 363757 449374 235628 304099 650441 524936 290460 216562 695742 5031 431639 758081 764538 406839 445301 867717 100 100 5637 2920 100 5203 3289 100 97010 100 100 53225 10550 92716 4729 96464 111663 180853 101983 76453 77471 182493 73484 94179 65846 138983 103664 141160 262578 297706 154319 283696 586223 492995 379244 447418 468761 210664 586569 417583 812241 958749 622297 689591 527270 591786 884597 100 7028 100 100 3219 100 4657 11723 47360 100 86939 20552 93785 55383 67687 63987 94389 123196 44256 134202 57431 110221 112974 246027 208329 216882 444517 311160 346768 364413 385635 590741 489653 464864 479581 484511 477707 467565 487907 485580 475264 466579 460294 485003 476958 478759 478412 458725 4-Acetylbutyric acid 208861 172631 218496 185984 163749 198577 170657 189112 256239 214927 219590 209260 197313 220594 264941 172512 166787 234084 165599 206586 234758 186207 196660 232768 182027 219598 240829 184334 180576 185388 226409 232089 170880 164673 191864 239823 218878 172532 185381 217098 195003 247932 174519 192201 187714 183397 200717 234579 173184 171916 314152 248171 262276 211018 238968 252733 197411 279825 254423 200927 207135 219319 192768 174724 186761 203033 211590 211668 434903 217900 338680 191176 288256 302904 277072 186432 175463 185447 181843 166988 169184 179386 343576 309464 188755 260454 312411 520292 191901 345261 257808 232727 266803 173523 168283 188694 183929 183427 163163 176812 204574 164762 149359 206685 256105 317725 242817 169273 193899 183664 250864 166189 165548 195933 183334 232065 151885 260607 202149 194398 166790 201522 228703 175821 235566 215395 191225 443364 186206 228299 534709 230924 200283 214299 242217 204905 299580 270740 244408 180627 218637 172975 232841 207919 454977 242297 264549 294441 170724 155009 204372 229053 212621 197853 187381 263072 214347 217816 185522 368531 435892 412603 435734 405980 439221 421674 416612 421632 412400 407387 411166 363710 379237 438945 445201 4-Aminobenzoic acid 1524324 1772093 174634 2301212 1376520 2179580 1461947 1622531 912731 1451699 1499383 1681528 1580522 942222 1400145 969148 1894179 2408658 2423607 291791 2551700 2153667 2153672 2374330 1531130 1926539 2243954 2348954 1866059 1891547 1445493 1732205 1033530 1322066 1157363 834412 244265 1052166 1005136 918524 922388 664429 1022624 1012549 913309 701919 868384 737206 1541719 230052 829636 1112942 919343 1451717 1141848 863305 1044682 1001335 805335 849511 930730 1036704 1168869 787810 1991837 2265313 204432 1638031 2349213 3040959 1479278 1405959 1279336 1190005 1897171 1984466 1778422 1849645 1328581 1557190 2711081 2544698 1788279 1515623 2430078 1919086 186285 2283969 1809586 2112532 1645714 1374380 1280762 1564971 1858065 1852580 1479823 654333 1687787 1350057 1039955 206408 1289943 1638967 1071030 943751 860765 1128564 1095016 1075460 989515 974103 787085 1120128 391375 152001 474848 869693 575691 790974 636764 560006 669260 612870 533720 471417 577067 1741705 1376723 1433006 1575363 148076 1577981 1670953 1317696 1493464 865075 1226155 1295652 1284259 924576 1692811 1213970 1660477 1094989 2001189 1312718 1773065 1762047 236305 1225180 1381353 1459220 1457548 1567429 1128741 1219973 1268219 989734 3490876 2676952 2699934 2640054 2682770 2593190 2683110 2608807 2634239 2619916 2627153 2641850 2614794 2585575 2619376 2640184 4-Guanidinobutyric acid 2046391 1891603 1194734 2334273 1304288 2694286 1737358 1764016 2382713 2977524 2632726 3046803 2934228 2650902 1969084 2640389 2183362 2605928 2343037 2423324 2176490 1880457 2685435 1922060 4285617 2953849 3311711 4960960 1875051 3815767 3057256 2689512 900961 1647852 1598395 1351474 1180816 1637227 1151524 1557540 2549550 1311468 2016445 1856787 1330785 2583404 1697151 1836158 2106043 1560864 885766 1091125 1428942 1698521 1635117 1384293 2319226 1899378 1556183 2639692 1381484 1525580 2742706 1983931 1706363 1896707 1277314 1350838 2388609 3174738 1639496 1631535 2657075 1702361 2772830 3677413 3195911 2309701 1717389 4313854 3766417 3002543 2380669 1778618 2306272 1864627 1539088 2689636 3546263 2368032 3103104 2746368 2012977 4510286 2095608 2988809 1816871 1466971 2339386 2201192 1293302 1415083 2631890 2363232 2348061 2114629 1588169 3819132 3489443 3425215 2038160 3056296 1617722 1835029 1043912 1335398 1354247 1834738 1579777 1444154 2933762 2311536 2079002 2771917 1502051 2439781 2287460 2803072 1833564 1757173 2061964 1748257 2477798 2949268 1949830 2529251 1930055 2257137 2073263 3398448 2062998 2581451 3034918 3824190 1727394 2484316 2473075 1832166 2674312 1688837 1770187 2661649 2613647 2953371 3821648 3526575 2850187 3372879 2711488 4001795 3622919 3558892 3839378 3682633 3667449 3682741 3649790 3721310 3876533 3770503 3751897 3732159 3579589 3972989 3750697 4-Hydroperoxy-2-nonenal 2582518 4526821 5625274 2223584 6373800 4762413 5478340 4167875 3013635 4869113 5090962 7344881 4234511 3516440 2076454 5745552 3313894 5788098 2870989 5045053 3809123 5018096 4113902 2168411 4854012 3555221 2822430 6786234 5901336 3323634 2888058 4164406 6384588 2832743 4190066 3211058 5977056 4209396 2407595 5260399 3000793 5157551 4739855 1901320 4883749 6755382 4091532 6343758 2545979 4421321 2737045 2469619 2177851 5758526 3725082 5173441 4529587 4131779 2974931 7454247 10490117 5015487 3573605 4894765 4393381 3270441 4994410 2597376 4837394 2612447 5993483 4156481 5643713 1859383 4196538 4078432 4879316 4100016 5746554 6365033 3977764 2453247 3182125 2276799 2685194 2603941 4829470 2857440 3903099 2355152 1356051 2664281 2788856 4230858 4527077 2970127 6719023 6017331 2249369 3899688 2882744 3800658 4189557 5492615 3894198 6608385 3961345 2971033 4659870 6852482 3287862 4735644 4192157 4253815 4174376 4701309 2774920 5864119 6256185 5138174 3356488 7163901 2656705 8131776 3366605 4623006 5678216 3814846 4682098 2215410 4134963 4356706 2388285 4109923 3519259 5407710 3450238 6228488 2441757 2173857 904374 3005578 3416490 3192856 2499599 6347092 3068727 3394251 3997812 3438262 6571060 3599531 3961431 4224728 2119561 3446828 3495953 5710155 6408782 1868603 1702119 2501164 2678987 2537660 1819276 2139173 2458840 2414858 2375264 2373662 2520859 2472331 2110192 2649856 2551896 4-Hydroxyhexenal 4930498 4655023 4568677 4613921 4679705 4860794 4492669 4473663 4674451 4423688 4759849 4790958 4364290 4784765 4764351 5336885 4296422 4154394 4727310 4657487 5004406 4450182 4172861 4710307 4147182 3965812 4390596 4811361 4474380 3899069 4586603 5012823 5033372 4773899 4868564 4417493 4886031 5087276 4577293 4950563 4435885 4662155 4437184 4571584 4551867 4618301 4779568 4437917 4527881 4433518 4220930 4380303 4979809 4602286 4389067 5153972 4860120 4490390 4885219 4831589 4288281 4306983 4758438 4768376 4246373 4351246 4741509 4134749 4165214 4037574 4739549 4870755 4141711 4565820 4016650 4234986 4717244 4555612 4488605 4372609 4054957 4645874 4461877 4542181 4282968 4499852 4669432 4017413 3685352 4803220 5226640 4922313 4109037 4302723 4371727 4955667 4443846 4521090 4345181 4661028 4373373 3475245 4485119 4362922 4744614 4295755 4470635 4980478 4657922 4503949 4428089 4221600 4359194 4681862 5070270 4348066 4791142 4559901 4521907 4897470 4751543 4782816 4703177 4508339 4784224 4811780 4421946 4239176 4651866 4303450 4250003 3760736 4926639 4451654 4660414 4503621 4490004 4332216 4589666 5028915 3806382 4227563 4505522 4712797 4170485 4292142 4467832 4364513 4571602 3781986 4650826 4657908 4843428 4512617 5037836 4911336 4570321 4533171 4076543 5047128 5157092 5076005 5021980 4949109 5072814 4974191 5045059 5134590 5044724 5107015 5079548 5109365 5197647 5105619 5064959 4-Hydroxymandelonitrile 1039935 2227936 115255 60387 35984 1128476 476684 1073726 14040 1483198 1820116 9983 1719312 511778 192660 16718 14609 55200 4861 12834 41032 12582 16836 7592 31003 29956 22145 28259 15081 33269 26131 16277 31885 34766 19558 16721 12606 39848 25907 2933 36831 6386 32829 30685 22279 23396 12253 11337 31517 10454 2153 6297 8925 57493 20124 10133 10651 1865 1998 18248 6290 9304 21275 7282 11212 15704 16610 13569 52216 66424 21262 22198 68661 20177 18936 29649 24260 35350 29853 19579 29015 33888 9253 3022 59071 4450 8206 18417 66063 15439 10486 12930 8379 25742 22192 17907 34963 7527 27957 53506 15760 10472 33174 18020 19750 2240 19688 16571 18664 22015 13247 17584 35523 39174 32192 32004 27074 53451 47395 52241 49669 69023 32154 38546 30867 60363 33621 17601 2793 10199 8429 14718 15670 30491 14826 19201 9123 23879 10241 19919 13366 37286 6095 38749 12829 63185 5659 26511 29732 14326 6344 22808 18171 29312 16039 11532 12850 9271 39437 18622 12808 17944 16067 18089 18991 19661 20021 18858 12118 18412 18245 17239 19924 13336 20000 4-Hydroxynonenal alkyne 402626 443933 1274368 416294 724773 738911 551339 499692 543913 637252 482888 532206 490436 590212 349936 608407 404171 842099 409865 525454 516710 819372 486669 404404 604820 1074654 408525 576532 483402 641337 473995 644350 1311984 572276 560225 753963 666971 582240 410869 779829 538161 506145 703076 492303 701792 614679 418853 623486 602006 486562 414043 445776 397551 488310 466190 674326 561783 528092 431656 782329 1353625 752155 464358 662371 458461 400433 524728 391766 696028 895021 986485 436031 789981 559171 559194 488514 538826 492612 661370 544363 390756 701775 471616 416098 531002 656083 585253 633292 998514 378319 427531 490704 442950 750283 611094 473086 684280 745882 639376 378137 419953 463945 792807 755621 601658 741701 424429 450900 496568 578069 602897 582591 401423 582406 641449 721034 510298 1202972 504809 499102 540946 593464 531182 576434 461187 416590 1025400 611417 521561 423044 413127 873027 516387 797368 432139 459677 622220 778782 464250 685030 389429 881994 528509 423880 347804 636065 506525 452147 689426 563613 695334 501433 304277 689105 518610 499287 559457 655822 705625 708621 606556 545680 551708 725192 493265 548210 565769 630906 597005 633498 569675 605849 571654 745957 724287 4-Imidazoleacrylic acid 5791373 3388786 5862647 2345474 2122183 5615166 2261420 2672907 2628522 3539908 4286814 4020101 2794059 3787227 4626125 6181322 3215036 2301093 4585323 4379651 2742470 1344650 3909271 4706096 2225447 4509099 6986818 3546110 3624849 1937224 3236663 2924885 3629972 3228423 1678074 1522409 1935750 1492040 1829788 3905746 2067487 3255537 2242659 4719630 3139439 3552492 3701941 1039223 4960958 4542285 1699448 3775895 5515432 4400718 2010013 3824547 3516932 5255153 4484385 4423995 1905053 1908275 5259449 3688243 2452344 1797232 1425977 3317455 1773515 2091665 1381821 1259301 2532594 5907397 3419905 3439344 4413915 1233393 1075839 1222672 5962030 1977778 3764726 4381132 1808348 2268050 4595792 3693519 1570472 4362811 6189894 5594438 31016381 11854746 2148693 4088410 2204434 2918892 2599365 2761789 1723931 2270674 6348642 1910277 1745399 2204167 3166362 1648366 2617977 3511393 4776485 1556395 1995747 4349038 2585523 2783947 2527832 2286765 2798037 3697167 1165968 1715194 3245332 11944349 8673180 7876513 1786393 3917647 3033236 2940134 1001813 2191227 3963820 2100457 4309617 2242689 2878404 3901966 3056965 1780026 81612980 1666879 2116199 2491941 2329727 4257410 3171542 1841476 5158858 1377726 1580157 4028240 3797537 2687040 4523409 3656542 6358052 2374237 2285306 2403614 1718079 1698004 1758645 1694210 1610585 1695785 1621749 1644584 1627801 1678880 1653695 1469980 1511628 1775606 1603568 4-Imidazoleacrylic acid isomer 1562699 2126466 2483573 677496 862918 2068469 1013659 600099 1220156 1429873 1710969 865322 914881 1007626 1145102 1593346 1556037 912423 1501827 1961501 1305384 622547 1093911 1972397 612753 798332 2353037 1152655 1255249 1540616 1291439 900866 1454729 828398 701443 1005840 1018768 681602 796708 2142010 1101783 836319 1005478 1740127 1399973 894830 1089339 517570 1940538 3185450 697593 1333201 2020307 615119 885954 2328279 703301 812123 1490690 1729921 567919 858272 2308362 1118571 1381957 1055550 854886 1167179 1060764 976017 1122251 726731 722340 1345924 852461 1004964 3160771 858586 442167 498681 2920910 857592 1877196 1920452 846338 826816 2200100 1863567 638192 1524963 1797369 2747150 8278567 912607 799193 1104067 884701 1270735 1458788 2132903 1001402 1464998 3004598 1005662 1283289 748281 1516390 1555233 1043193 1632777 1758161 545652 792246 1567558 690603 1264311 1293858 823578 1372154 1699198 536882 759147 966933 8111893 2242453 3475651 1437891 1566805 1068229 1260723 573070 1533326 2626663 1222486 1738527 835579 870278 1481796 1010745 866102 20244968 852873 790031 1621976 1059276 1160173 1838599 798184 3334941 1186488 933599 1065207 1495716 1145652 1307274 1570494 1548419 932619 1098315 1329260 1119453 1099487 1215883 1061328 1346972 1231895 1267927 963710 1058174 1238715 1167195 993872 1043029 1039274 928644 5.beta.-Dihydrotestosterone 725886 318231 204256 191264 179198 190368 231554 151058 282340 294192 137821 203589 82250 233536 197279 230601 258080 160179 217270 196090 238064 230249 106264 151815 190809 196796 464548 139239 181595 321908 246481 339090 289999 177073 211746 379373 180132 199167 258456 244378 259469 189434 231792 216953 174653 267060 275966 252683 77199 352546 275053 401304 185885 175451 215455 332245 409799 255813 171855 135602 202916 261368 171642 303338 184457 304673 182615 207154 126087 185330 203304 207910 272190 323151 142372 246061 359415 103614 202166 173379 272441 39307 200766 231024 205276 140912 211278 126674 185956 377993 275902 341900 255555 234080 378863 458010 225772 210783 114945 268684 412664 258605 227310 198571 154302 276875 192165 202487 351157 451919 175126 443877 320120 75495 306096 339459 272432 519030 380595 174616 304298 239251 188912 385688 265692 292644 156742 117841 206047 160902 148217 301178 53334 326833 199897 173942 196063 165894 195771 448889 179406 152121 290553 196392 319347 131346 235436 170816 166806 358117 131942 379274 106585 164370 741724 409508 247606 283842 187325 300163 235846 201475 267414 254539 186924 229924 229036 350248 280882 261522 267192 280844 247744 213052 131109 5-Methoxytryptophol 170250 160679 162137 142057 156731 150135 145948 150151 188176 180917 166626 196469 166978 150681 167486 165392 177223 156004 143993 133348 127747 179892 156921 189364 186784 174028 127903 165591 173617 137943 179372 136972 177602 166251 179554 161292 194309 128267 150127 202089 156459 171415 194286 151537 183837 172343 206696 166791 153172 123856 135700 159578 141858 180279 153188 148374 153885 166306 158416 165755 171626 140198 173467 161505 180720 140493 188423 197966 173761 119182 177074 150547 167856 192812 197917 162250 150587 156434 141598 168523 170097 140046 174174 89425 184026 177459 159342 169659 157834 221198 165664 170923 160302 149480 170577 185512 184007 187746 187067 175559 141706 212592 152342 151023 181340 145289 171892 162370 176304 136070 174881 187086 242634 198480 163749 152523 145398 160384 188467 137041 172576 173804 149131 168331 148104 127344 161114 161070 173334 165805 256431 176545 108513 153550 133941 189046 173646 167055 176632 190367 133713 193902 170543 162173 265151 155105 172940 107888 157820 203745 166514 161025 174591 157838 169879 174103 138801 187940 157133 126573 195703 142720 159776 167824 188169 180733 179566 180777 175570 162398 186729 165805 160949 185931 175550 5'-Methylthioadenosine 4135415 8701689 4780611 6331783 6355035 7987536 3884722 7644075 11248541 10871408 7658653 10953783 11536000 4235184 6965795 10569095 6332703 10580085 7297547 8988582 8768476 6470472 9215751 6830240 12691501 7934849 5041199 16722428 11763358 15141213 14616917 5736109 6889698 10083927 11112593 6644669 4701131 9846097 8868490 4589488 10027427 5010763 10263305 4498851 7353729 11786363 5358083 10374032 11494718 7301986 6678823 5265020 4765125 9809248 8015554 4931405 12317733 4982582 5016597 13384238 5779144 10641275 14180459 10600053 6860414 6634182 5585882 5732465 8352107 7172489 4922758 6855630 11202279 5692614 3906345 13229792 13562486 7253935 8806628 14643693 10924552 9620924 5755668 9351735 13951845 9746637 8629075 10606501 16742567 6579940 6841697 17562880 11733047 9551653 10548251 11940627 11676862 7004876 9428963 10720429 6407049 7518876 9122454 6728654 9731386 4132365 11266815 13980603 17490981 17635673 6311302 15585407 10630908 11028492 8996336 12360991 9645652 10504797 12850477 12948147 25996247 23418703 12347403 16911345 7568101 9949324 18042560 7500866 7091816 5404473 7117451 9123915 10589268 11502068 6519127 7738722 5682370 11967039 5469135 16028504 4434595 16062823 10765136 8302433 9006116 10328608 6742820 7801549 11152839 6599859 6198768 6066935 9164093 16208822 15779586 13447481 6014572 15253699 13313199 11756078 12475882 12259221 12390092 12178493 12297621 12255260 12063415 12494406 12200417 12620759 12432608 12279482 12583461 12136678 11747077 5'-Methylthioadenosine isomer 1102182 2279394 845741 1490963 933033 2357882 988717 2266568 2133569 3502396 1668875 2156063 3126882 1040450 1654432 2903495 1516623 3973408 1633115 2091793 2418920 1488227 2395995 1287554 3065711 1862128 1602448 4913877 2772305 5544026 3985901 1775832 1432846 2167752 2252957 1916035 998955 2612203 1521040 942297 2839217 723533 2605834 1258683 1390828 3324040 1029136 2017536 2950760 1561062 1089435 1166764 891342 2407160 1826241 1221866 3012180 1289341 1546182 3118549 1162213 2554296 3290706 2357708 1231985 1630359 965760 1044408 2308039 2446094 1012003 1164333 2605855 1261984 1020794 3139885 3527713 1381287 1597778 3946923 3627642 2753632 1330146 1626205 3372966 1644340 1583236 2638604 5043929 1249006 1356273 3707416 1986831 2814175 2008444 2348910 1987301 1285831 1730740 2107079 1174170 1630646 2824417 1525838 1881662 1039830 1708098 3907654 2921496 4122612 1055358 3577205 2251395 2399193 3504964 2300150 2208461 2906561 3554533 2806170 10238764 7496994 2528741 3662053 1972870 2477896 6061767 1783279 1071016 968910 1363987 1496666 1954540 2070903 1099251 1483673 1022860 2210298 1004118 4236014 767932 3433186 2417191 1938711 1607008 1832024 1460976 1376668 2454915 1301003 1093526 1070026 1591848 3865831 3807129 3090800 1449843 3765187 3416621 3445056 3451587 3426372 3566848 3440296 3563812 3457377 3277250 3338225 3337736 3358803 3268582 3243502 3193393 3336436 3403265 5alpha-Cholest-7-en-3beta-ol 94011 47820 80100 52703 11770 80270 168141 104577 62435 233730 64620 114031 403223 197621 93302 9522 57552 57243 79236 115838 64693 71311 152458 78739 55722 46838 118017 86128 279956 125498 483110 178014 76210 130111 62429 30259 39233 56243 32756 82068 135825 82332 113755 181057 41863 54544 110581 46200 91238 77555 29626 33232 22468 49055 59772 65612 513508 106650 93188 73644 49941 186940 262107 11520 213961 63702 55952 36670 74827 80175 77430 32265 198273 298789 116890 75118 58070 45995 209517 107596 695658 327635 116686 198849 301682 456254 191201 391349 290716 655085 369905 93929 728978 154373 132148 47040 59550 48076 118535 110985 14317 119740 92588 71162 81671 141180 208259 208730 112723 131751 99404 482162 37188 46945 7888 44271 21419 58517 24801 56425 107943 52291 134870 12852 134756 94958 95228 245576 129880 125699 284180 56467 188599 162003 64607 60568 248791 270477 197254 122344 839287 437963 69297 270013 163425 75235 127513 112003 219580 181340 34276 176549 101180 449867 127080 102123 144069 309450 142665 2495742 3245743 100 6628235 100 4470842 4655008 3513395 100 100 1677520 100 3812756 9807123 8712322 13304274 5beta-Androstane-3alpha,17beta-diol 813413 2052140 3701540 3087237 564603 1387002 2174115 869022 828687 1167351 1012942 1162216 967420 1336936 2154923 2136338 482647 1296827 2239018 1214598 1604290 1984023 1436061 1360925 1294916 1480484 1479581 565457 1322763 1302488 720712 1944560 770952 1099970 2025086 1803256 1026774 1628508 1445909 412230 877512 346381 951145 1783978 743760 1018813 1603639 545993 1319888 1188560 2141614 1857301 2878764 734550 1374534 1122299 1209620 1712979 1379427 1294015 1975753 574468 1197666 1099388 948992 1385761 1284704 1262133 777341 963631 1421300 965776 1114307 983996 1210099 1091539 1877194 1327598 1043545 1531693 823211 1097196 962844 1544952 742115 1320734 877842 1278992 799478 1265260 666602 1047876 729665 1250263 898740 1456799 772797 892548 473243 1117289 1679902 514003 780641 1003637 932352 1041777 744783 1484758 461779 648670 1453181 885871 796403 736954 889518 1651337 2294564 730367 836839 1140371 749127 1349297 1072765 528459 755877 772607 762018 899080 841948 825106 1894700 982561 873818 1477529 1322078 794241 1157424 728148 1304364 1828387 876525 1140879 1231609 546550 1587925 837625 2157714 2841012 875796 407051 4603461 1196197 798170 852745 638841 587919 1193898 1104929 878721 753940 677930 645321 580460 725617 510052 524842 498361 327128 344427 707170 694988 632667 620664 549592 663616 9(10)-Epoxy-12Z-octadecenoic acid 31980 555253 158634 147235 266549 583249 559631 656950 435265 111061 639950 427861 564784 517587 440733 451503 590134 126252 123760 775743 104868 145783 105725 123134 355324 570431 480391 413887 678022 369320 383014 548201 144687 148081 657077 149579 454286 91579 629501 174031 529386 408000 135078 387241 149858 573394 568697 285695 120828 797942 156011 26832 33211 116558 108578 671946 372020 546446 572403 400403 102302 36105 497942 454932 681260 447394 175387 587032 109202 500820 204878 39151 99094 482644 478302 509367 607482 615517 135628 435756 652572 134580 210480 646311 186070 121059 941049 567511 64873 468987 587804 384010 502148 378993 598018 394135 194575 173533 124362 617984 141847 28574 108828 132012 687027 355273 682040 452838 564799 433202 486302 471601 119342 106246 36106 543661 88776 105005 656640 32797 459985 429097 478270 326879 443493 500343 529900 98731 639178 200751 605281 125031 246277 157154 736031 579416 429959 672935 566451 367870 489542 93863 363396 674793 606055 119694 146590 118921 565350 409884 258263 547486 607884 141939 470894 387447 494305 468307 107356 242909 258425 273089 386986 307050 210237 234361 277955 265389 307742 299384 286469 269435 277703 335997 314716 9-Oxo-10E,12Z-octadecadienoic acid 10677 4359 14331 6204 4413 11279 4239 3723 3487 4466 1786 2053 100 4780 2335 3152 5221 4375 1917 3430 1953 3716 7945 70912 2195 1770 12335 4038 1018 3157 4742 2072 100 3824 2275 3556 4560 5094 3823 2295 3924 4794 1532 1157 2128 5019 2550 10177 1540 7186 4250 2324 2254 6134 1552 5260 3496 4009 3574 7346 3198 1336 8877 4610 2339 962 1561 8555 1780 1805 3933 2278 1718 268 818 5865 100 2703 5800 3001 100 5632 1593 3168 1685 1936 1473 2463 1285 2333 1482 4153 1424 2997 3772 3849 2239 3326 1452 1314 14551 2597 1408 6408 3170 1424 2114 3265 3796 4447 3568 2165 1314 3351 3926 2509 10796 11102 1958 4318 3485 2215 3036 100 1601 6572 2956 13637 2433 1251 4585 1224 7262 2436 5393 5104 3866 100 2355 2921 681473 1482 5763 4385 1243 1683 2935 1890 2049 1232 5288 2562 3436 2131 9226 5206 7448 2443 1161 10550 9204 11418 7718 100 9187 8880 7138 8599 9623 7637 11780 7186 9693 8554 12031 Abietic acid 2240 2173 4108 936 9482 711 1902 3865 1878 3338 850 100 412 2065 100 3436 4970 3228 3844 100 5819 2990 2030 3546 3241 7289 1374 2959 4118 3394 12131 2009 3852 7340 3082 4838 100 2206 638 5480 2895 3447 4661 1264 6869 1226 535 8723 2483 2727 6271 2801 100 1514 5745 2785 5069 2644 2734 850 3212 4355 5108 3850 100 7002 6457 100 8422 6077 4198 9755 5194 1890 3528 4794 1319 100 6143 3467 1218 100 3372 4266 11541 100 8998 100 831 4800 2120 6000 11680 100 1866 2091 5004 1417 100 4265 4203 989 4529 1041 7302 613 6265 4072 5666 1582 4596 2823 3372 100 8580 5407 100 100 100 3029 6031 5745 3894 335 1589 784 100 13757 5615 100 3735 3666 100 2887 4269 100 3500 3070 100 1559 6585 2069 2585 7589 100 9861 100 100 1539 100 1553 6534 1622 6131 3969 3013 5895 10281 5964 870 2174 3725 2648 3600 3310 3050 100 1950 941 2996 2761 2511 3371 100 2467 Acetyl-choline 5070742 9302316 2976358 5450422 2923931 10430284 5876613 10716791 2751937 13979308 11440515 3957384 14053916 3678887 11361604 5949562 1069619 2511286 1131283 1415284 2577089 892097 2275824 1220348 423003 1506131 1203034 854600 1513706 820048 934084 1167707 4993370 7759160 8955087 4042451 3401294 9018265 3362138 3189549 3159936 3871739 7526154 11895667 4029297 4859247 6675870 1635663 13077191 5009759 5286337 5726478 3306373 10993394 11641003 5275589 3500591 5816952 9229247 4250506 2689855 15210826 6716350 2830171 5447544 4979153 2443789 5495183 7376969 6872851 2174924 2317559 9198787 6176680 5165095 1758431 2056516 5445271 5026416 2384599 6996122 6803032 2199069 3662826 5353263 2784773 1464488 4809686 5188601 4299212 2538596 1852489 3871573 1350528 3805103 1804525 4550653 2710325 3733966 6685618 1716512 2264435 6544062 5034136 4947268 5064546 5680100 4719278 730148 1867412 2670762 2972340 3623162 4789119 4972370 3032710 3084377 5332259 7074216 3511419 3246831 1234804 11689161 1043837 2955333 9263953 11413468 3908748 2314487 2228626 2175836 1072267 3436149 4169227 2763809 3400032 2130106 5430332 3435148 1569970 739431 10183293 770536 4889803 5838799 6710552 3849615 5251308 5480380 2776228 3919200 4907339 9443613 15200029 4374372 2488697 12126695 5203248 9480372 5666437 5562354 5570902 5318600 5658139 5312676 5303823 5513326 5621086 5595108 5554333 5510121 5615586 5604362 5710951 5677042 Adenosine 2906236 52081163 334391 1622817 1203082 24384924 772807 8813667 100 73364581 26604472 100 35193674 100 100 100 560280 6976714 233636 297327 7454248 375572 20600067 337106 11158 386287 100 100 209204 6241 82453 100 1079485 5770475 4226544 605325 635764 13754789 606439 86092 608058 100 366052 100 67105 100 100 100 2677440 50242 189640 264676 450239 1939409 939160 682203 100 100 4034 4849 368078 910481 22367 100 29140 122605 67386 36432 322826 306986 93422 207541 208198 100 100 100 100 263662 454025 100 5142592 2768885 217397 715831 891406 163672 90512 767581 227861 100 100 100 4439590 100 889732 100 227813 95155 186680 753167 85568 117659 502349 116995 403252 100 28228 100 100 100 100 100 41812 904712 5973156 510456 2557748 886061 9627914 239933 100 100 100 100 100 9953 7088595 80476 40008 234178 48316 76884 1056977 336104 298279 426405 100 1209333 100 100 100 429012 100 290319 11876 201161 90462 41732 325826 177888 146711 100 405205 128192 100 100 100 100 514598 8552843 8516441 8760061 11146677 8327302 9472718 9345013 9315227 9201575 9087406 9216830 9272644 9531009 9038486 8664341 8709081 Adenosine isomer 524793 10556179 48540 310699 208866 5362085 151216 2281591 100 11453504 5264622 100 5215945 100 3611 100 139410 964294 31783 58659 930416 45329 4406064 37149 2559 86914 100 100 42455 100 7356 100 230913 858093 880497 137981 127994 3191446 131623 12657 118831 100 58402 100 20032 100 100 100 614631 9743 27315 46996 106234 330130 206592 143718 100 100 4550 4394 65824 134444 100 100 3137 20984 11013 4894 67125 76304 16986 28758 18751 100 100 100 100 65214 74408 100 943708 461209 17167 113203 161914 44555 14602 137915 68950 100 100 100 798770 100 158562 100 37433 15330 32480 143971 11397 10462 132577 11641 76533 100 2924 100 100 100 100 100 8593 168616 1442171 109552 595301 208581 2025582 55918 100 100 3224 100 100 100 965791 30506 100 24216 19507 7734 161764 32743 43033 73131 100 210923 100 100 100 75771 100 65159 100 23596 17197 4804 55609 31783 20032 100 66878 14614 100 100 100 100 84228 1814270 1568798 1545344 2021304 1435195 1724944 1714683 1531936 1511422 1582983 1485785 1506001 1528043 1578544 1541463 1468459 Adenosine monophosphate 114541 243636 132542 1139356 1029051 299350 169902 381546 293504 161862 483169 324304 270208 89267 327938 889367 249768 976168 157612 381538 738825 415405 1421497 188138 864214 108494 334937 979820 320204 1630747 1413899 740400 188584 738221 1129489 174592 268696 485768 395965 162402 336381 154530 176013 385440 92937 702979 355558 383278 1470357 121452 230033 185633 281419 1209572 1362670 430084 1318370 524558 652400 890307 286350 200924 492873 1148499 143816 191178 97716 168409 360189 190052 167813 425524 368417 200333 226052 350529 344432 202904 245771 529290 768193 836280 184473 1473132 245052 392408 101429 1281470 166132 866607 330544 962495 776396 654021 339104 908657 127046 249130 116759 139588 212148 114129 174918 334802 110238 385988 262690 211295 120455 164538 130590 140360 92998 243420 202240 299743 170183 233584 301040 117886 549045 265810 203135 156692 295395 268025 368117 185010 152063 116707 233987 45093 120388 129376 263313 313947 332384 605504 176308 155215 117225 133017 206427 170567 207398 118994 193148 156347 185016 108096 102983 133974 137485 187016 705730 375364 172404 534171 469132 808176 883306 835841 821791 834100 841269 839983 847994 837301 846393 849235 851709 834851 821439 833142 831458 Ala-Gln 85469 150269 115060 157593 88273 194470 125278 227019 80385 295037 230717 224323 196192 103323 289229 189825 72628 421794 106984 134039 196112 109687 252285 68675 512939 73564 144704 387153 169675 596742 274627 170493 92523 153996 172912 115478 106092 307851 118715 81250 345282 81638 170440 216202 81534 138430 162804 107731 273160 117667 14407 43576 43834 290178 170580 75321 229429 162994 170169 185138 37440 122304 192028 121779 80980 100830 92281 40972 216963 169374 79858 83827 128343 128314 213163 200060 250486 79465 128131 220204 337441 310043 101274 153673 243498 125934 115605 268257 366692 296763 189509 196449 140648 392376 112912 273389 115680 92320 138544 153981 55204 154068 137491 116840 91999 165709 86415 167857 139425 205893 146197 254591 659519 978703 1085184 1277744 682952 1064305 2022304 1303244 5878094 1757602 2942962 672388 1644075 2673198 2603472 154907 65681 94876 95937 125582 155305 247342 88609 80636 189989 148232 128013 187182 177696 224792 131914 106161 93620 149032 66102 62170 102437 110237 51882 139045 63482 174052 218060 121359 148499 163455 171488 368780 372811 361975 389691 368481 344999 384001 367813 372868 368587 380936 370047 375824 361624 363933 398708 Ala-Ile 8999 1765 21469 17881 4981 8041 19293 4647 113687 32199 4811 151459 73783 135168 103489 37217 32708 157916 28460 12754 9819 36926 21943 24978 8269 25771 55886 25749 121201 16930 63784 95006 31852 24428 8939 31521 28619 12695 18772 27905 63735 96078 36872 107587 7077 31850 96871 85909 9242 8832 6603 100 9861 3443 6750 16762 13713 85166 95165 16858 8833 16122 37875 59812 29756 30626 41721 17435 34541 17674 49400 12734 66010 89560 96121 74289 13426 24729 104190 36446 16238 102275 31252 62315 36951 48879 86141 174013 38074 116361 120432 49236 164515 53498 45930 73940 18660 21340 46406 13537 16112 41637 32914 28853 40083 100261 92679 41484 2766 9118 49460 7792 7165 35275 9746 3092 2451 21983 7554 13052 44407 10003 49881 6515 71626 48176 25897 76513 15519 35565 60442 34445 26858 23002 11791 7770 79331 64766 105000 66278 47979 98299 81701 23748 5771 23306 27366 13403 11846 32437 38642 67711 3470 66342 18854 24309 111972 28279 43120 11050 9159 8530 8921 26411 23470 9789 14373 12868 14450 15690 15039 10930 12052 16448 18309 Alanine 8698865 10089151 7941321 8746222 7130832 11196886 9984388 9924764 8751261 12302474 9792293 11061416 10530312 10502145 11027118 8925814 9526583 11655529 10081034 10254085 11208731 9642774 11539845 9302879 11203523 10761966 12041126 13206957 9490502 12369688 10750384 10871797 8185303 10790278 9826351 9150480 8575270 9818868 9041992 8804178 12383950 9730949 11525577 11962370 10599503 10982307 10436759 9066389 11564534 10244394 8410996 9543018 8762356 10682762 10090019 9719371 10549084 10415925 10986037 10440940 9587983 10196245 12287381 11366599 7942269 9306933 8909997 7541098 9342842 9016590 7947750 7680109 8966229 9994695 9375839 10427905 11094286 8458415 8268875 10468310 12315875 11225096 9106118 9390635 10246644 9731166 10037806 10759258 12168818 10359680 10671585 10161800 8422324 12853146 10191131 10905450 9021602 7067100 10798460 10581367 8088683 10440642 10682693 9976931 9583466 9596731 8381316 10472291 11069558 10976152 9950019 10475298 8393719 9340480 7308023 8299615 7361566 9718434 9768832 8356931 12085088 12071469 12221950 10240482 9728437 12130875 9791146 10180789 8577376 8334026 9512089 9449465 10221194 10483487 8353306 9149657 9547552 9994236 9411335 11837831 12423248 11442204 10627449 10282597 7380599 9714574 8510525 8451368 10235829 10608210 8032541 10344922 8959517 10311412 10642521 10139636 10401100 9852622 9861024 10002915 10049775 10092675 10132548 9998519 10197779 10017375 10083986 10058220 10203988 9880558 9928923 10176411 10050228 10094003 10102070 Ala-Ser 30345 38728 17139 24254 4818 24104 13863 38348 48901 91477 26973 90926 136784 62688 157743 83614 2534 61872 47297 34830 12368 29229 31773 20298 224464 34381 36723 192838 101801 424507 127965 71227 28275 42889 29698 29852 16016 38035 28509 29889 175011 48878 80056 107687 25087 71204 89457 72229 41923 15201 6728 4589 8778 15110 20337 12751 107598 82034 62983 80266 2216 58741 63184 40560 42501 53292 39337 15352 59299 50288 52071 36224 70732 85625 90661 111460 148065 29024 115617 164193 80896 96775 39762 56533 75006 62114 69540 93520 180239 92518 81915 70256 107370 245174 62128 138981 24029 38193 81542 87840 9037 70352 52605 55302 53311 84620 92727 104935 84223 175736 60850 172230 16098 28155 7271 5118 2678 23543 26375 31866 217934 46263 81088 37763 52298 38499 83022 84281 19231 56791 55882 61400 86560 82122 57598 32852 97277 88530 65223 132529 139961 147566 100100 59937 17603 55943 38728 32496 58857 61152 18433 64069 20972 112751 107744 71341 73522 110105 73517 8802 11495 9612 10775 10075 9603 8892 9681 8217 10669 5401 10235 8165 7630 11943 11131 Aminophenol 208744 163551 149300 126884 119027 140215 138140 138204 92810 121392 192807 100002 166540 65033 100255 79304 270293 162556 352274 164780 109988 282037 135512 199440 123909 182732 76645 81775 307092 145303 90684 76529 156088 193147 115683 214082 136504 117703 211482 129344 147344 109617 186553 66539 349928 168265 39257 141992 133129 178361 197665 214065 113900 193878 154937 141104 142560 86223 89477 168626 253045 270954 50907 130067 337162 303395 210612 157900 227286 275613 233107 174237 194578 97858 69325 125000 82767 196546 194734 128105 114683 130308 161409 106906 138897 162986 155203 122643 193317 84195 76321 70271 147020 142591 140227 95374 192516 158106 218584 170429 203988 92471 99130 98503 188404 68745 211626 109222 193394 131273 107172 161523 401834 124550 122370 156774 200035 129888 141622 166956 147454 129529 80573 199555 81613 121983 184194 160653 194144 183957 164494 150827 81858 173181 154423 163732 80377 185692 80168 53712 74781 230404 119406 204287 276910 161040 159655 222445 181275 78393 176682 104064 103803 236960 98805 98424 95491 84373 139151 151938 160928 135461 151683 147440 125833 125283 125348 143108 146276 134375 146581 129546 124547 140555 126645 Androstane-3,17-diol 80945 33202 33534 26751 41606 40073 40138 63597 61800 36371 39448 43643 59274 66692 32740 54965 49744 47994 43783 53448 28081 33878 25201 22453 31602 42666 43323 41032 42047 39904 29957 56299 59265 27863 45805 33838 59543 34728 64923 43628 60385 56601 27781 33748 39059 47589 42611 31986 51562 51106 30588 48498 53946 66051 38837 43540 13476 44951 39995 47495 23800 46617 47395 43534 45466 33898 32178 47933 42257 45936 48434 45250 14190 37542 55417 34680 49395 15919 35027 24756 37746 41953 44685 25064 34564 48057 33485 51893 46907 31777 51978 39777 38947 36592 47241 37179 40112 49722 78918 27892 49387 56310 36744 39587 20671 57057 37747 37591 30624 44474 55809 42402 64864 50070 54133 41488 60500 39017 51677 72105 34586 37220 35372 64500 58087 52997 63010 47947 40539 57933 47265 35863 57041 39525 48400 58407 42525 29931 29585 44325 46681 35709 37401 38567 14894 27308 47311 46331 40974 50342 32970 39146 38316 37302 38058 52867 37035 44624 32371 62734 72410 76040 80544 84480 93263 86125 80549 78269 79236 83717 89642 79302 75913 82861 89116 Arg-Ala 120232 140529 178868 102201 74495 140463 147940 126949 247212 297923 114336 362886 565077 312267 635379 175986 160125 181071 221022 165305 151328 172011 151468 157627 1122561 178000 251159 764685 768285 1431318 496854 519791 211203 140945 136478 164839 180694 132558 240481 146885 565032 354168 280522 523608 176579 199441 574647 224806 131021 112725 92934 88498 101640 119966 97415 165637 225436 338993 208164 158004 131455 170221 198589 131978 175169 175644 199388 139448 143571 137814 218920 165241 342764 716501 494855 378632 394260 150940 555232 363084 363011 437026 318301 283166 348485 337293 347643 463415 1575759 703087 618194 907798 1285288 1361584 266231 752799 165789 191411 281062 263381 183428 214113 256790 246408 195590 588553 667748 458513 407935 671486 462991 693267 150101 264561 124441 161867 103365 157571 114117 175365 395825 146683 381594 125087 334748 162151 239171 428358 214464 425441 421678 410674 357919 311205 271067 213783 854564 804486 573288 521069 956691 1113297 614247 261667 129930 304084 192527 228065 189465 139211 169497 393822 176133 603086 501833 301941 438343 603502 311549 112660 114760 118256 110434 116628 117734 117537 117263 128073 115464 119895 123274 126593 118172 117301 117458 Arg-Asp 12988 32303 10527 2285 100 43945 11500 18255 19777 57891 17380 66202 31968 56487 38562 14046 20766 30298 47781 52145 62833 35371 19288 15357 134276 22406 112864 112491 90335 93594 63840 49681 82315 12105 15862 50076 54390 32999 64586 4136 99864 10970 66226 32837 115710 48988 47788 31178 39632 30472 2754 43002 23014 25834 14070 37170 50825 58020 65805 45069 68198 55267 64299 18422 78958 25146 26808 4631 68146 46915 35477 47024 55075 184095 141750 155080 159376 28349 85606 108018 94830 57025 48370 4114 47005 50848 54729 39047 495533 60843 142866 113441 55549 134251 15788 99571 30896 102746 55883 93651 23558 89078 74980 63375 38914 100508 68433 225605 169831 113935 224082 131886 44954 33037 4648 43183 2963 30651 40842 62182 92321 122283 76795 50396 57539 56538 26520 68491 172990 65953 68892 110112 127993 113692 70175 68948 105852 110261 159364 131558 376318 85106 268174 72221 55608 85568 24957 42585 56278 5450 19967 161565 68576 75838 179419 98976 65894 97441 65450 12545 9989 13755 15109 11496 10640 10836 10719 8635 9255 12845 10655 13167 12618 13195 12813 Arg-Glu 100 100 2527 13611 100 100 100 100 100 100 3334 2171 1750 5000 2657 3159 100 100 100 5077 5591 100 6625 14093 3157 100 100 3370 1229 100 100 9584 91754 4659 100 3380 100 7686 2335 100 8149 1358 56713 5417 2432 2599 731 3358 257271 143757 100 7022 44957 49471 89569 2519 3722 3970 2749 100 8916 10230 3041 1491 100 100 100 3744 100 100 100 100 100 4080 100 1676 100 100 5455 100 100 912 2419 100 100 100 100 1929 100 160213 100 45339 606 451 100 1162 100 4086 275634 121280 100 100 100 2524 8189 1018 7208 12649 100 9415 53597 14338 2840 993 6017 10893 13918 3947 3389 4740 46870 3451 759 100 9134 46919 1125 2754 5644 100 4720 2077 100 100 15022 100 100 7718 100 1505 1549 100 2113 8169 4400 2346 12704 3455 2483 5560 9180 1523 1138 100 168169 100 1466 10003 100 100 100 100 2111 4391 2306 2676 3887 762 2287 1775 1454 100 3175 3085 2284 Arginine isomer 423176 406829 390271 337605 151015 510609 641062 350683 318277 523286 505755 511192 621530 404759 314070 261915 712177 421392 836388 642828 418153 509640 352984 648483 330616 436101 566831 632559 532605 428335 393643 496742 296386 454178 336068 359239 404278 361559 409057 403375 489564 317360 582967 383843 445732 297719 549845 393104 489970 567389 194495 448688 335364 474036 329503 302813 421352 595076 463952 391941 234847 582126 595642 282088 642507 564581 917330 477475 485823 737136 533954 340030 490576 731871 545203 708174 796658 640191 408213 649267 598764 669317 539714 365165 708829 605606 760971 638467 1032824 529154 818234 621363 322645 707197 736871 846153 597653 471012 1043695 706620 417711 1252244 677725 453175 772140 469834 443631 755874 789590 628331 630948 727848 581943 375429 126258 203897 160454 303220 233561 467258 495001 354226 247731 291642 247937 288625 315037 608462 646569 643722 658186 914392 891516 850098 403997 576797 379936 444209 732609 910016 1030650 907659 871473 874230 678478 643154 525432 443206 748904 678208 840103 871363 510647 674029 973236 695566 617282 655690 559914 207127 205140 186711 199255 191240 205696 209449 184164 196980 194871 197353 208548 210716 203645 183215 200542 Argininosuccinic acid 214827 316316 258637 202416 77237 294721 287379 187591 102725 371799 248521 203542 180471 181640 175678 42640 386912 235083 541269 494956 323894 362917 360692 469035 218059 517469 309367 326487 341141 183324 280757 183140 356061 219812 250281 323878 261193 223438 371106 286213 147694 142034 468893 168327 404578 177532 185030 185069 284871 348458 144068 202734 149959 263310 154617 123148 124456 139327 177031 126337 186918 297097 473743 113662 419454 515724 566182 226171 306230 928939 302504 158557 208513 208145 166832 252753 417347 263374 171315 244785 586022 495098 403500 255889 495477 523617 515618 436697 373571 235890 296419 178538 163239 283467 362832 288379 388567 324028 1072899 488787 309664 669711 387598 267347 574968 170432 291272 255822 465680 344557 286475 477464 373981 370382 74028 108927 113223 277550 195802 255358 168851 319846 250085 245234 67439 172975 142761 459306 352998 367741 383586 777643 452677 430140 201667 258370 108972 198198 356044 623903 204286 495055 295076 525774 849090 393508 349263 370846 515066 365920 521365 347138 383158 697426 225250 282857 262659 258408 257092 107905 108616 134291 130348 133552 134024 127276 130274 135642 127959 129880 127454 118319 125358 128065 134685 Arg-Thr 100 100 100 100 100 4318 100 3152 100 8359 100 4512 143 6942 46203 100 2678 6585 3869 3440 3919 100 3221 100 61825 4552 27157 25073 15785 63484 2039 20911 2249 4839 2569 4584 100 2392 2323 100 38313 1522 3551 25502 3595 812 29634 100 3662 100 100 100 100 100 2759 100 4657 23003 16257 100 100 100 14380 100 3648 6640 8509 2884 2699 11371 10280 100 2726 43807 42402 23896 33530 497 9855 12598 25096 18156 7877 2498 16802 9954 4175 9111 108028 53712 60167 28926 21822 71012 6224 26074 5994 4622 28236 29358 100 24812 16809 3458 6635 36308 11203 31089 21569 32684 55829 38930 100 837 100 2427 100 4969 100 5818 25736 2496 39896 3402 8224 4642 100 6976 1207 11795 7109 24459 24673 32086 7237 10366 34572 31645 42481 21764 71378 58284 22856 21886 100 21186 966 3428 868 5627 100 41298 4783 17483 36235 821 30287 20098 8244 100 100 100 100 255 314 100 100 100 100 100 100 100 100 100 100 Arg-Val 10477 7403 30373 11518 8112 7915 35301 8891 12737 5843 2633 23492 33834 20984 79568 32637 16115 4512 15469 2036 8711 5138 3177 8041 46372 1658 24184 100 31866 1177 9222 24989 25691 5348 4547 14248 15607 1890 22284 9752 76248 48805 24624 55709 2887 27884 64413 39457 100 12283 100 100 20269 5552 6731 38632 24208 53181 49535 100 5487 13253 8666 16491 7388 17861 14790 13925 14784 5154 34371 6704 22380 28147 53720 29428 6701 19392 32126 4376 6704 7743 11068 6261 2056 5068 5370 5191 49989 48243 28965 18024 49525 10259 2458 5551 1969 14977 29376 9578 5167 17341 12430 5688 18467 45117 24927 27861 7482 3657 36339 100 5282 44835 5840 23332 7799 3911 6315 7791 23691 2574 57495 3154 59150 26848 14266 7538 2298 2879 4268 7595 8574 13203 12115 4736 32594 25196 29606 4189 77273 42534 100 2519 100 3519 100 5762 3142 16505 12309 33756 1837 24565 7129 2423 49078 9511 12562 5549 5093 5689 7829 6431 6133 6231 7527 5649 5601 6810 7103 3902 5522 7739 5641 Asn-Arg 100 2462 690 100 100 788 929 231 100 380 712 312 2139 100 3073 100 100 6469 4157 100 13872 1497 748 100 81519 4520 5367 17641 10185 54515 2750 8922 5765 100 100 100 1150 100 4130 1123 12463 1295 1751 3393 1260 924 1809 100 8412 100 100 100 100 1642 629 100 2488 3942 10901 100 100 100 6495 100 6918 2857 13268 100 9510 18598 10644 100 2530 15705 12087 12924 15282 3684 100 4593 2859 11075 2561 1190 6046 2270 100 4265 50224 6832 4909 2931 675 17790 100 3984 1879 100 24544 25321 1191 20385 16513 675 8983 4625 564 9559 3254 6050 16455 10526 100 7045 100 100 100 100 100 4589 6337 100 13522 100 1772 1250 1310 1696 4 95 2057 3881 15347 30657 1849 1919 1272 4949 12302 5717 32437 11122 3736 9088 100 20472 100 100 3980 372 602 13096 100 1423 11072 100 1559 201 388 100 100 100 100 100 100 100 0 100 100 100 100 0 0 100 100 Asparagine 1275761 1377553 1257033 1372619 919459 1494003 1719765 1351964 932827 2482310 1548866 1286688 1911074 1329534 1824371 1277695 1204282 1027473 1819832 1210792 1055694 1642668 1042199 1205472 806011 1295980 1589986 435975 1943982 369208 1069718 1539913 1644360 1288484 1177632 1876186 1303366 1347521 1684206 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107586683 94051508 92128639 70879792 90303386 77608987 76139457 90608309 86136106 71772184 92124139 82136415 100617992 102359113 87432185 94883369 89754233 94542041 94654028 93802505 91886965 92314320 91363860 92531524 93422895 94427425 92924827 93226870 90382970 92132072 92540086 91772898 93571537 93524287 Creatine isomer 28703 92217 54722 76258 6928 177859 50224 63965 34445 44604 88668 70365 72121 46978 44533 51459 106899 244414 157822 132612 248837 281475 356472 177158 322507 179497 202938 489559 261628 376697 421098 290546 77557 157228 87899 10084 77195 41645 105059 4752 52107 46185 159530 1435924 52595 68500 165561 22545 204942 70255 67731 53410 36912 84783 59156 59173 63961 110888 57975 45791 77749 62658 141242 57483 35619 22161 29338 45995 63317 90226 31080 49293 39855 120328 43416 45156 32546 27664 56864 25794 395653 183468 75866 36419 323164 127328 63676 149932 138266 209236 117799 256980 54466 105992 121410 157294 138359 26618 92075 85186 74466 62396 86205 164654 125036 57444 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100 131672 313242 100 103554 100 100 100 37507 150466 38324 10949 97109 12629 142947 28407 100 101914 100 100 34003 100 100 100 257598 347235 319909 131939 242416 446328 168555 157341 100 100 109239 100 196040 2111 100 100 326763 125041 27610 48825 75192 222148 196120 145145 100 100 100 100 89429 29727 100 100 24075 31551 2706 4642 129892 98325 75047 64320 68865 100 100 100 100 152937 64325 100 132586 93914 59239 23852 51009 20204 21107 53688 79751 100 100 100 19386 100 56258 100 32234 28977 12937 85636 29515 4731 149881 59013 52414 100 25666 100 100 100 100 100 10834 127042 113461 55189 63971 88315 66063 32749 100 100 100 100 1761 100 52040 44272 24279 28516 28299 4211 57405 79285 84652 77231 100 59006 100 100 100 33853 100 132873 19584 72673 48118 21511 109803 9668 56229 100 124801 55092 100 100 100 100 63935 100 100 100 100 100 100 100 100 100 100 100 100 200 100 189 100 Cysteine-glutathione disulfide 1478077 2019924 1042059 1216890 651270 1989128 1745556 1467337 1471705 2592836 2013601 1940363 1506292 911159 1145541 934943 790008 1749434 1751979 663136 2412430 1742319 2346500 1157289 1651056 1117600 802598 3203285 1898035 1498209 1132476 1220200 1207729 983005 1311698 1350080 908512 1293233 1731777 446794 931623 943545 1646827 1239226 1445174 1337688 1072777 1307267 1447157 562708 722519 933239 856226 1651724 1258734 989967 1283036 827406 973451 1454473 1297166 1267690 1566671 708956 875197 1770282 74710 1098831 1320712 1307350 660628 1134006 1830889 840195 1359486 1619968 1737266 1101284 1512945 1197046 1675240 1555303 587698 923868 977593 803454 313384 1397887 1091370 1158757 709855 1072612 1098182 1291207 1305087 1107003 555691 535267 89976 1426988 858133 81432 1026342 771874 670520 717824 1241391 1086945 490511 1275682 1093675 1128812 749014 1598867 954045 1322841 1028871 1645531 2183208 1410499 1399920 1118720 1654451 881015 1027564 1363902 1630880 1059136 779177 437384 773438 128308 955123 646195 817716 1290622 785454 1565220 482873 712204 159395 1126997 854450 1057348 752589 1257212 889093 1257536 1188171 55465 286407 652712 1485540 1939751 1701563 1044914 932542 1636661 1536096 403135 409494 389196 438552 411152 421805 428053 411563 420254 368859 407673 411010 383824 395586 394546 395188 Cytidine 5'-diphosphate ethanolamine 419027 547632 386639 376603 275752 608959 443214 464073 388415 661330 608904 447043 547908 410898 606152 317661 289653 284979 352743 250803 365228 314108 340872 265376 270167 327923 324949 288627 321006 266923 324493 322088 515115 381783 408008 493936 375491 415359 491533 270720 342507 301836 651975 466646 522577 367120 428346 340568 500274 323357 303786 398638 318369 468412 468437 360454 337111 404085 386355 334022 365986 418053 387439 388691 394816 437477 135332 309453 407783 465661 288910 299705 387271 263800 390551 391198 401021 397254 323195 356634 474447 436862 239440 283558 427058 312164 134658 376190 347670 353728 296172 331388 224175 325063 300362 294865 227106 182257 200533 396754 306116 101630 317282 317598 304738 298608 381842 294019 139019 268561 219937 354257 69897 440126 205251 184558 202285 294773 335580 203070 294441 316694 470154 178740 257592 297244 312334 372134 234707 216645 295020 125002 389514 346196 265604 348670 216126 363986 227140 292184 119972 425227 295845 410709 354840 383662 341288 376742 420076 108348 217063 397718 393560 485519 391597 315970 362402 356127 365287 402144 431822 434239 401091 407537 407326 421493 414983 417852 428057 450926 418964 410400 412802 414878 419589 Cytidine 5'-diphosphocholine 437490 647813 449392 382816 258648 570588 558157 464276 294173 570452 405025 470318 473027 348854 553983 379762 453480 464792 578484 550571 462509 493137 585273 548813 426746 548096 462558 602869 510195 465004 551126 496449 552153 465401 473606 570118 466104 518067 532880 329313 393497 347806 470407 612986 536919 543960 466343 314027 432604 327041 328085 429033 292742 383191 377080 326115 315072 352604 445020 266715 295662 385228 451173 306791 404516 487935 160761 352175 479022 700133 331182 349898 341723 284704 376838 413958 503792 373179 276340 396348 711780 587495 412273 412178 545329 513683 173084 514543 396712 423995 511011 486737 385561 467916 413422 406251 325621 234263 248488 470488 384115 158586 380470 446073 338605 318593 458239 378279 222085 323824 264507 450849 183573 567969 425802 309083 391381 566853 713222 335947 518425 749061 714567 361585 452523 495075 696267 519004 321977 236334 379518 142516 399225 373215 346992 344449 313027 348409 309112 360645 150958 424790 392231 399294 372344 398305 365570 414563 464512 149913 303275 407309 463779 504396 443723 288851 393170 415648 386990 471560 496546 506035 505582 494579 493149 510650 508589 503999 511497 487356 489377 506779 504367 494939 489550 Cytidine-5'-monophosphate 19652 67329 34282 96868 82761 84057 23149 65275 98954 49401 100468 91998 65274 30198 115922 107805 100761 126716 111662 130643 97242 112052 167971 128716 175679 100121 180846 241704 107148 241313 169213 154131 70380 98782 110096 26577 15962 97683 48143 9765 114450 36809 32687 122240 32630 161977 100580 79162 146354 46925 31089 63481 43004 111133 124630 29082 183380 113091 123599 165008 49205 57024 112757 168266 62030 50316 90280 43725 82364 77487 30297 33379 39231 76709 70677 154744 172407 52317 28870 156847 126584 94840 31472 69704 86684 61025 93703 69827 68653 119721 104109 113561 38848 225924 114241 143818 42006 68301 111172 55281 37354 108214 57121 18968 64764 49782 22307 116279 113558 149710 79971 140779 175686 83499 60973 58124 143457 60974 76148 173359 296332 160802 165321 85292 102851 212475 66753 34003 36779 13565 28172 140994 50693 59709 27547 14556 31565 32323 76313 99398 76648 57255 112388 34009 48531 55524 26977 50339 49098 20296 37916 111493 54541 27330 143613 121385 97874 130855 28621 68482 51138 64026 66122 67837 65344 54479 67815 66218 60742 67532 64284 64568 60569 63246 56331 Dexpanthenol 131575 276520 214393 70064 60895 147302 55778 180538 268740 206450 290019 135465 287729 85677 242654 98573 329521 129884 137167 260825 101599 195477 303289 204580 111598 70368 438391 267544 166462 206193 251633 125627 289644 179540 112078 309962 127431 128131 136009 197519 139351 283367 111070 107228 309759 142894 288465 80083 194028 393129 151864 53919 315829 1115499 307570 222960 161161 128832 201765 201579 190441 262891 192979 124445 60788 74661 125601 108977 79266 246610 115251 112541 134265 247893 109602 135412 162137 84087 113326 44896 543356 119293 608959 202636 147782 146511 245603 80640 138393 128024 175672 189263 963318 194544 87464 131297 83053 174092 237236 193919 58193 260464 1395950 339350 152206 97543 90153 117513 120263 209122 152667 85240 108862 217554 64433 324165 141561 188792 245056 165612 66347 226398 147861 191769 244342 379686 211884 123914 87455 242514 129577 177429 2257671 199185 214052 233554 114103 150507 191896 93111 589955 193281 141597 234311 199792 190915 309325 77045 1086409 107694 188550 175833 341259 331780 139447 119492 166127 105980 165810 128893 98408 61255 108511 77905 60160 82752 80914 119429 72823 133920 71100 118409 75051 117032 90598 Diethanolamine 261122 216952 367622 221033 328076 308864 200499 258387 502554 249725 517775 394884 166814 423311 357738 292249 216163 455541 210434 209488 229292 256549 304561 312649 326652 364121 339883 352808 263620 197859 470800 320913 370797 346322 269170 229201 206952 183434 193458 285672 441859 641516 193336 690030 386907 394629 483407 723278 384329 267388 229229 214305 286290 313816 817049 437765 537151 282243 325400 400362 790955 269308 460708 512753 365159 238526 310293 348992 306626 487917 298565 371637 338934 379988 309880 1032715 449321 575272 321960 249623 319379 235204 166377 204186 308205 145439 278172 171635 248779 329222 375183 430458 303560 423454 282882 619530 426544 352276 231433 1326014 318834 276176 490958 340950 470869 342492 340620 290516 394958 405156 679052 300504 446317 301565 268139 264771 279140 346125 233399 513473 236284 209552 303095 482321 548590 421460 255358 259448 215446 191961 174195 286365 306562 339717 394602 279432 369843 419898 522402 1118741 929323 256306 407960 286040 235922 333402 222159 175932 442557 202774 238135 410803 492208 309773 451754 389173 608472 338524 312781 278930 248161 276786 257504 270494 269093 274691 263363 260023 264614 305822 298200 276966 277401 292788 279312 DMSO 559913 786929 1058293 545359 1081027 603951 755331 606161 12176056 1007654 876239 9986559 844235 41819379 51258871 7384598 600342 668442 713926 469462 439586 468970 526945 890298 9885586 819825 48852869 11721836 599156 12489128 9531897 52549831 773187 863948 805876 591979 567299 587629 1037532 485769 12638601 48325128 575168 45788159 832406 9246296 51499639 7863470 799376 538867 769460 624369 976301 993783 835163 796580 11184087 39521017 48238216 9034557 785392 1321730 13020505 8702182 833236 711720 1201889 1285481 844613 471049 647040 1119610 682279 47858439 45263086 9587603 8524847 545719 608415 8467992 602388 530511 628109 531878 975413 1075433 513537 485427 508500 47306974 50985524 9334002 560133 7783611 525424 9185679 759495 673191 1156567 545371 743553 395181 513018 609604 554836 49096223 1100401 8693434 7708524 8639981 46106802 8232973 1003547 809820 648087 926934 600022 623402 1081901 573739 13514327 9373226 56075376 11104023 48162651 50411808 659962 474293 710652 358488 649068 581410 581732 702823 2078643 505923 47992606 596613 46426325 8053259 9324901 592806 9022791 623728 668196 812446 685958 630965 603757 566377 702112 46501671 544218 705459 11709931 11552061 43086312 7575045 611305 232193848 261239288 246462451 236956815 257208769 236928904 236796623 236911342 239181398 229526313 234691131 230758487 237794145 229695819 230809169 235861486 Dopamine 100 100 100 100 100 100 100 100 100 100 100 100 258435 100 100 100 100 100 100 100 100 100 100 100 100 100 100 2572 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 2859 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 3066 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 Epigallocatechin 108035 157800 113945 160086 137671 223507 71260 109401 165924 186356 176176 174390 169164 109479 259337 170024 27891 106198 109764 11771 197090 133132 222345 70876 354765 53007 13749 223291 294872 227881 338006 114098 89218 80368 124914 148234 49628 80282 166294 29502 120261 107389 351271 140773 160671 186269 198417 125799 207699 18282 75583 146390 59579 153090 178856 87574 243869 127807 104264 202717 115900 230785 256158 265660 36491 99918 11667 84764 68441 63507 23896 158441 144269 58867 103499 141510 156540 111580 112518 71618 101127 106294 58066 89511 19600 78490 10575 120338 99940 135683 97791 131843 129384 47268 91136 123532 19757 26881 69129 85987 136644 6985 33484 111622 15480 140999 228312 138350 19977 54702 108452 78629 47718 132588 110227 199106 159476 136512 227164 163177 110237 153691 331710 127212 279193 225346 197126 78346 59567 100 59584 4200 78121 3850 150737 150562 99541 165336 87079 91830 42471 91165 43989 50657 103124 65145 72858 92355 82904 4440 100 107445 111999 150070 126542 122873 94800 96708 146692 172844 192745 187175 179926 185589 190323 179006 190217 191171 186555 176474 185305 178381 187287 191927 183396 Ergothioneine 897646 1357995 581622 916062 414370 1107215 863657 1323495 559541 2920310 1428588 1393353 1225706 1235654 1140321 1093072 1849300 4024830 2318706 2073625 2277402 1612263 4881452 1675483 3894857 3643613 4360186 3157702 2279775 6016265 3854040 3118085 801743 995497 1382347 842461 747531 1042896 735297 558472 1265086 730580 969070 1244180 1189116 692336 1259862 763434 1295950 523011 323051 531750 504873 826376 590277 398044 752976 828177 840891 929783 633995 598537 1212581 342530 853326 1275922 939919 686410 1374231 1351853 788322 870486 1806309 1207286 1214444 1166680 1837383 1393771 799077 1566971 4079572 1923993 1300997 1118813 2137217 1398683 1135432 2016393 4109666 1868722 1519027 1080252 1029069 2682779 1787956 2110368 1308549 597758 1383847 1063629 906763 1114151 1639082 1271022 1380490 1168433 943194 1327350 1657017 1708342 1224344 749990 683082 990404 446607 701417 508182 830779 1210457 580252 1413798 1368634 1317149 544571 753273 491925 1245914 1512055 752324 1058747 968260 1332167 1711194 1210308 696676 1287628 470072 1811056 1395027 2146001 1332964 1369185 940644 962296 528344 1214588 1035679 693786 1344207 1080244 956345 1422212 1439555 1405893 1145856 1326331 1231702 1175865 1824796 114168 126394 133441 90390 129450 127408 128016 117022 130067 114750 119180 116876 119263 126820 122017 110729 Erythro-Sphinganine 85977 82043 99432 144865 96266 77661 142678 72014 144463 116251 75995 102619 169993 96121 98587 153840 146767 60976 121385 100663 83821 115840 55194 69842 104690 153796 136168 62653 153826 150553 153152 109656 138649 57841 68360 143838 110270 102414 121608 106040 190291 128532 140248 161255 163651 112101 142594 147092 98308 126689 96073 109646 120048 118843 93095 127276 139708 169217 160186 130922 123120 150664 159096 114910 115570 122127 102324 102092 123488 90369 120040 113593 151322 171841 164832 176482 176443 137520 193474 221208 42765 57593 89772 69705 50785 70051 78520 84163 163872 98034 127617 103113 137772 138456 70104 119653 113273 140864 115114 80277 107719 124294 36511 158236 82290 181689 254284 200617 114111 177399 198397 213143 102085 103949 102291 86853 96586 68860 82975 139151 167683 120792 117234 98800 127835 111163 142186 74151 116689 85737 87956 84611 47406 92158 103267 103657 126846 134643 186917 159690 398179 152431 171236 77193 170361 115876 129035 92976 79522 147839 112650 168290 104993 213008 160410 208670 181896 218079 200606 286133 293845 271599 286690 273255 287900 264358 250950 275284 268458 270502 250783 259980 240787 257840 245673 Erythro-Sphinganine-1-phosphate 1059 1098 1067 1147 1238 1104 1076 1141 1165 1061 1143 1056 1043 1063 1272 1124 1021 1098 1004 964 1086 994 1102 991 1406 1004 1009 1092 1094 1436 1108 1022 1104 1108 1119 1115 1159 1146 1123 1068 1099 1051 1059 1138 1052 1134 1062 1056 1089 1078 1181 1098 1183 1124 1177 1159 1139 1110 1116 1130 1166 1056 1064 1135 996 1015 1010 1082 1089 1005 1018 1103 1128 1100 1047 1012 1042 1003 1068 1013 983 1007 990 1087 981 987 970 1009 1670 1094 1115 1023 1118 1264 987 1052 1009 1021 1158 1003 1017 1142 995 1006 1000 1036 1016 1008 1031 1022 1017 1025 1079 1039 1214 1156 1152 1155 1109 1073 1098 1026 1103 1092 1127 1126 1137 972 991 982 972 1106 1056 1120 1005 984 1047 1100 1100 1069 1520 1576 1034 1004 1011 986 997 1002 975 1073 1016 1026 979 1027 1172 1010 998 1002 1042 1006 989 1002 985 1004 999 996 991 989 1002 1006 1006 993 999 1006 1000 Erythro-Sphingosine-1-phosphate 114544 90237 16353 67683 28447 112966 26997 55182 54324 7590 108601 14923 78762 85601 19409 100 27205 310894 72354 203232 244050 145018 331438 203260 7445 88447 69295 112801 25016 61027 136651 112420 100 105210 97283 100 100 13147 3367 23109 100 4311 100 5313 100 100 8165 3455 78503 17052 47373 3144 100 35222 53241 9702 100 65324 100 7703 100 100 8569 100 55664 15317 45259 63893 6362 4305 17523 17911 15437 147720 3450 5115 1611 45891 100 6168 356558 386211 157761 332047 348272 164574 215125 231815 116715 163832 200926 178212 146208 123559 258199 111112 37571 17350 23808 65067 12963 27509 56757 57700 76320 28634 18452 100 6234 14009 4415 6549 100 43743 100 100 12585 59546 5324 100 100 100 100 100 100 100 100 255538 97992 247353 220281 208610 318755 193701 93643 161954 121926 90374 121391 92599 16540 82591 55605 199662 102700 120957 163996 162982 236422 62804 39603 78173 144562 25387 137512 65678 56425 87701 17263 85183 94954 87125 83998 82537 92192 82550 89741 85653 74568 84822 79684 85721 84425 91950 89723 Ethyldiethanolamine 1131628 1175021 1223422 1436166 1330131 1293323 1550891 1233622 1329402 1893475 1395759 1645146 1553930 1095824 1367737 721330 1028085 1211052 1189244 1281184 1033719 1255371 968313 1055320 1249800 1294101 1070574 1229230 1842784 1075555 842832 1139732 1211960 1209235 1224581 1047889 1318789 1344440 1363450 1294995 1406912 1841675 2023843 1157391 1733955 1425654 1433976 1548385 1474736 1358508 1452820 1190543 1122977 1499115 1680044 1295138 1118349 1463582 1337562 1049904 1147655 1947901 1535308 1551011 1066471 979353 1485692 1116352 1272460 1103914 852659 1349162 1463713 1354346 1372473 1616179 1281318 1373300 1620766 1337203 1010768 1066357 796514 922377 1269718 888674 1260659 797175 1395764 1385874 1167138 845435 1604213 1049211 1119407 1270774 1589678 1277689 1055630 1241921 1213998 1329979 1257218 1295790 1209248 1274726 1751170 996884 1611573 1115555 1434807 1291077 1670147 1109246 1512024 1687430 1032544 1325637 1602139 1573882 1013893 1366610 1256171 1949379 1507114 1462387 1586349 841630 1047631 871019 869678 1457913 668731 1346241 1579146 1422705 1452657 1771448 1235318 1029907 918016 1699250 1191300 958932 910706 763012 916158 983066 1234850 954762 1269808 1265867 1032417 1584429 959850 1140831 1302939 1131359 1500279 640790 626244 666521 709802 684792 680748 688145 699580 705082 704648 662827 670844 660641 718625 552578 513261 gamma-Aminobutyric Acid (GABA) 14488467 33098425 14406855 18214715 12537857 27234189 13435553 23677667 9530605 24959210 17267057 12921555 19815915 13340026 31254616 13765073 13268127 14663786 18313206 17495352 11497136 13180229 17770408 11647340 13844108 20826295 21184207 18166063 13145421 17182886 16099248 13816105 16921247 16282574 15360112 19163230 15574986 19095246 15438382 12500987 15451583 13729049 15765082 21657147 18356615 17503875 13886869 10562189 19942194 12451349 9150750 11775661 10817242 17218532 11783514 9664977 12116745 10328266 16595738 11680512 11977966 14367659 23216691 10522065 21242503 34420400 26241833 19872460 31427345 58606445 21614611 17302208 23815876 11646676 26857776 31505841 31851622 25083210 19219056 27781952 22448019 15372304 15123027 9207330 13695379 10908082 12782741 13617857 20151287 13593379 14285875 10202688 9830912 17422998 12176997 11523470 22950018 12708077 35046173 25975246 16789214 27490566 32227929 24054762 26945853 20734374 17887041 26777483 32574487 27388961 25142293 29552976 41577892 42812824 34415099 35382256 39857269 51334811 55629316 44320721 66261095 77342994 61653993 50452193 39997561 60084272 60377533 17589052 10487077 9209274 10962125 15797533 12777392 13312526 10702735 15933292 7679959 10102089 13207848 22190791 12572567 19517119 13599930 23772167 13618120 23528927 16865921 18532024 26691733 25728816 17621322 24478108 19686583 26205519 23810312 19867444 21728339 19684018 17980093 20641599 21040518 20978822 21112262 20866647 20730963 20440428 20888482 20985634 20956135 21045282 21144173 21218125 20529164 21230726 21295808 gamma-Glutamylglutamine isomer B 175305 387986 217254 189027 110168 291814 285345 307810 35881 216339 277121 48542 224480 185522 688684 51101 208505 279470 248846 158175 164356 172483 243514 187799 80369 243727 206358 100249 262056 118916 59267 234136 371079 467425 361919 292620 246046 278291 529113 172975 189954 152580 286448 348906 330275 55279 415354 50402 520482 149650 173365 196256 155362 313232 280893 158628 70571 276165 276257 66541 193944 234884 53489 45042 329924 324236 349353 184633 384101 423283 343847 251196 230012 199928 343729 78251 117853 409723 261935 72331 343759 293674 252389 191436 243439 261862 252799 262615 719671 438381 267088 38040 147366 118149 243170 53904 235372 296269 857638 467611 190741 487960 356196 299629 486429 265063 218644 112891 41417 73771 281704 59715 199660 441157 175335 168751 163026 289502 305678 264679 121392 44984 547494 37684 310993 205056 257778 267139 243668 185798 213604 237736 300380 407070 257285 231755 263359 253280 246557 69337 80817 425983 52769 290948 217296 268993 166655 190537 369412 294661 290518 199023 158777 375132 36716 70648 235135 70667 170559 71551 85140 79636 76638 86078 79334 76070 84929 82555 83840 82848 81478 81865 79678 75676 80295 gamma-Glutamylleucine 598726 619525 398012 491601 306607 587410 563281 535163 466597 786877 513691 513512 597743 802314 1038657 581543 1072375 1287357 1201307 1434142 1218016 1079607 1553007 1023830 1498149 1098792 1414450 2157172 1494122 2098107 1415533 1298765 347532 365656 357205 445950 506186 461735 377742 351677 717777 358158 298645 767616 404782 414020 488658 291865 545199 428590 232371 286242 294126 433472 312182 281727 446045 545176 661842 432943 354368 411732 463975 325498 395892 597669 509057 351672 579742 868735 389161 298638 547565 643963 769896 632065 690457 570645 486309 796203 892266 837615 874338 701910 703551 596852 578936 750031 933186 844705 897581 618881 522058 1065074 561285 682632 498295 445367 717518 544192 352330 490626 831359 590467 584809 751000 508633 841031 604999 681670 658342 611956 900540 1081668 934786 741352 935339 1031650 1376834 1197511 2833649 2087703 2207214 1143477 1485127 2224959 2076193 802730 497783 570630 608336 614879 686969 778007 392140 590346 557428 559434 656286 780413 598505 741473 517981 484433 485015 459377 465739 513886 579655 519849 459721 671505 498326 592953 620205 579036 716496 596142 779192 750203 728380 732293 734152 717670 720087 736342 713899 726723 669540 700396 691203 722464 735862 686721 685863 Gln-Ala 213657 208877 286845 177630 95033 207332 199005 306149 44695 182125 219861 59395 237787 356050 1057130 47915 203516 199203 260723 104588 60721 159004 157331 165157 74716 245270 181128 24711 416331 48082 54258 407053 465616 465956 264478 281579 308570 265429 280207 298084 355010 478520 245435 790848 256740 49011 744082 67944 261378 186574 137091 111945 171209 215059 334973 355652 71682 435979 456271 64621 121909 283178 38188 38219 350528 320999 435585 205633 378605 233677 500282 276590 373053 264149 694472 94910 38831 333647 513383 102129 135427 226732 230294 111791 191212 143923 177581 192824 635297 568523 348602 121450 307502 109811 182097 85861 225472 434162 627679 404477 154817 432329 320869 241358 483885 579902 321159 69366 189665 150511 394486 181435 145685 371717 215973 122011 148601 183071 140464 176511 118214 26826 686208 11385 416135 206290 305835 209731 209146 236557 169612 175557 276007 301959 302830 183610 446529 300713 356918 150723 99995 471042 119033 188185 79576 256315 190220 144850 241392 460102 300772 321342 122510 379919 163535 88264 488354 134965 236306 88199 99394 87558 100165 87604 83757 90747 86811 84137 67441 80224 89121 77690 79103 74870 76447 Gln-Gln 72881 85648 67043 80511 22252 97176 93651 178516 13066 161275 85400 11936 114223 139146 184446 12145 62548 256579 90043 103281 81512 126918 113120 79957 49686 125101 106950 56260 183020 51036 12185 152041 136786 128876 91534 94288 91028 189549 129264 95844 84542 96207 113597 135148 112279 5423 147019 14600 103792 68185 38170 48224 75303 189729 86460 72588 28333 118122 144427 15020 48805 98228 17869 4832 131694 131171 130575 94350 233359 149122 208775 140117 178129 125041 231438 37848 33119 140718 244841 12957 98474 107249 159706 57797 196476 93607 94453 99389 550551 163951 134257 14084 145375 13186 102362 11015 147086 119807 183166 145090 78954 137717 170298 143517 155293 219517 193295 20402 3268 16459 152487 10809 63449 114255 167534 96606 97886 103924 114531 98217 40879 11023 138847 7673 84277 76888 113971 132635 112430 144399 117153 132221 131605 292941 197425 133197 215937 209116 145793 9984 42557 214801 10262 108233 131854 193788 89692 64538 85093 136017 143081 94883 57028 140875 10060 8709 117202 31625 161575 80543 70718 71990 67661 69542 70500 70993 78866 72420 73336 74139 72295 68599 68828 69749 72911 Gln-Gly 41264 55890 98030 39064 18148 92660 81910 93266 100 94502 58016 7432 109427 70253 147242 6527 58729 60533 82029 45289 16118 64542 51547 66123 14191 86949 77258 4908 177381 16961 2454 87630 125383 79962 66978 109355 66679 79981 95168 77366 42267 69807 140909 98119 120253 4219 108296 5757 89628 55725 33642 68344 54724 44346 71367 52658 4707 65351 69130 4514 70101 85900 6492 2050 122793 77408 178632 50476 161835 174219 159725 114437 141190 138831 113278 15942 11719 115498 155095 10498 78329 98042 119145 52440 92638 81840 110192 95252 448365 182180 166515 6278 181334 25943 76203 12154 70673 123409 275218 155286 71922 206800 158945 132125 119823 120893 125157 11093 2393 9358 98746 4988 42455 85373 18342 25789 18159 35834 34487 49436 9927 5691 76338 14521 53672 32842 48346 122366 83723 101262 99535 148920 128756 178956 120744 88235 122122 209941 99708 1811 76892 280873 2506 131859 57519 132475 54600 52481 70164 129348 107382 104097 58067 124906 6615 1740 109111 6356 123464 30224 32297 30366 33091 34724 33727 31704 31935 30824 32453 30655 32985 31103 31008 23518 29778 Glutamic acid isomer A 2426461 2728382 2015901 2054604 1721324 3190867 2885444 2890071 2311879 3664237 2954270 3288114 2878147 2141815 2862617 4181408 2289475 3234061 2965929 2756516 3147260 2845434 3445440 2171521 3536666 2709938 2884324 4162808 3338546 5226640 3139475 2604032 3114150 3145504 3157716 3539769 3337145 3870729 3402367 3646128 4888744 2119986 4009093 4020818 3297023 3805235 3005714 2737179 3880169 2866550 1930199 2566334 2300028 2786663 3087645 2818270 3074892 2617446 3578999 3259947 2697764 3593245 3219028 2702309 1866252 2033534 1481245 1775141 2828763 2743574 2168750 1752361 2496142 2211275 2267340 2417419 2725497 2091524 1995510 3354811 3194310 3093430 2263203 2270542 2394721 2414093 2150064 2616802 2479359 2129473 2559032 2786960 1730886 3333270 2507277 2713208 1518495 1944612 1919843 2098421 1550799 1631660 2887977 2730578 2023579 2395478 1840555 2868438 2031108 2629134 1925444 2422021 1619025 2761631 2064925 1884936 1663336 2529906 2506750 1985179 5125498 3144464 3013828 1833191 2581008 2610195 3623077 2725771 1853372 2160393 2434437 1709040 2167645 1972649 1564754 2159477 1964740 2067603 1982025 2880519 1937992 2333919 2036706 2177282 2305976 1647398 2411058 1931092 2252772 1798726 2085850 2161332 1880245 3078333 3338085 2788528 2979751 2896328 3261574 2705135 2565941 2577290 2517906 2512656 2635386 2550783 2534209 2505870 2533509 2583568 2468944 2533071 2522879 2499764 2581259 Glutamic acid isomer B 111889 173488 109133 123648 102709 230616 156883 162070 117549 190594 188608 168058 165921 122597 158823 169075 113716 215586 125855 143875 256996 146418 191068 121100 213112 133055 226498 307656 172150 260101 184188 187062 155380 211860 206214 145009 160758 205223 181475 125652 230193 107167 210870 181339 160662 168983 167258 107214 352831 137110 92709 131982 106013 280910 181201 150010 315100 268387 300937 185252 145168 159371 337102 128998 105075 114155 76105 82124 129402 160611 98334 94992 114761 138552 115932 136935 170022 131895 92539 158007 217753 223226 110504 146969 165144 125728 95643 190483 148625 179500 125986 136697 97816 177575 167615 181500 106958 109207 126942 120090 94951 66735 137138 158902 128478 145011 114028 153000 102685 131680 157427 114505 100616 120987 99396 88848 104482 129609 114072 146377 253864 147931 150138 79549 146946 135279 135503 134634 109239 93483 131457 84286 133420 173448 75778 148510 93508 175347 117555 138100 106291 125288 106685 138981 110318 118528 118200 117225 127803 65137 90735 151096 107437 153175 169459 123543 144227 138887 140667 117316 125623 122967 122232 124377 124634 120557 121862 126215 116030 118933 128583 122854 129134 125968 123463 Glutamine 199615019 253245893 176933942 190700459 139612965 291707789 226484853 355835495 169293345 290042731 212969126 214998196 271595443 196572447 235408369 170515620 197752175 335304348 201581653 242958833 242590915 198920883 223829422 178345326 190925136 201612785 222040817 237822507 219135824 253462738 197657961 213430583 222835017 206955525 189723061 176199970 207838459 340492907 213387237 184766174 195036516 152552336 241987164 220137476 200384629 168170610 186761574 148787756 245819502 201293152 129014654 152946629 161216098 354061791 186408068 161518208 164428028 187913326 182470169 170115212 165411522 203081719 204553517 162457599 185223580 215241257 204172819 156264242 351433804 264122933 167486480 151137279 193687902 154513399 198513435 181017130 204705863 172674181 156067211 197468714 224363843 194231058 173278629 165311931 343733939 170982264 160668269 188206241 242798435 188168228 158543052 142727404 126041298 162176113 155924248 167682515 320228743 111423074 209743969 193660821 129765318 183598586 207915436 203531106 181613701 168900439 142252883 166787454 153545757 163768239 169957829 148409169 167771127 207355582 247455624 166189142 160406444 209567852 206499805 193204817 225253751 207786845 253830456 155822173 172746720 207776570 224197381 180304739 149315952 147119695 166355087 153941003 170344083 329541426 140278210 146135913 122674096 171681463 150770306 158078138 129954149 207635410 123093733 204565812 152645346 324219649 159353128 165514513 210442363 179271213 169283635 171652121 162093466 232798312 172305865 138087604 198490881 142633855 186599498 199374995 192305420 191946423 197754007 193949185 196393439 195482650 193538341 195506317 196061992 192920786 195145746 190377795 196489051 188505275 194362276 Glutamine isomer 10498480 8093208 9461289 10207142 6884121 13401906 11382101 19741849 8787758 11346317 10597137 7682242 11940608 9628709 8858580 7711469 6504191 21579737 8318293 8941261 9978255 12499060 12204932 10665076 9189877 11655776 8759093 10613392 9631191 11985572 10761634 11593647 10402386 11211973 8150380 7734325 11965106 14298876 9264732 8766160 7940021 6983304 10879888 9406224 7622156 7442581 8561515 6806483 11298251 10243516 7309143 8196901 8685893 15149781 7176868 7570072 7704528 5658461 6738965 5638710 8723726 6854945 7957142 7158342 10162078 6998269 10996891 8096042 19019640 13762163 10522942 8023050 10334501 7980245 7153451 7213475 8100545 5671218 9201738 9933964 11266870 9181290 8976180 8067002 17505108 6641627 4802758 7910137 9495335 8614618 6312215 6260826 6548220 7568850 6817619 6992755 19576122 6035159 8003303 11082564 6076032 5884756 8477632 12899774 10874494 6636348 7547511 9683808 5500866 8221743 6653583 5680224 7112612 10308150 11952371 8092153 6698921 7184984 11001038 10563083 9372179 6590954 7013429 5919053 6856629 7361469 11221283 10189470 8305836 4223169 5068469 4454344 6677235 19577595 7432226 8905305 6592169 6891008 8640108 6224628 2067809 8050168 6417712 8156383 7487041 19975543 9164713 8992153 11587325 11298546 8451949 9274834 9704059 8205414 8857143 7917462 9475603 5657007 10650719 10017800 9970835 9912109 9790046 9402715 10062256 10154113 9645929 9884612 9916832 10105479 10080572 10111840 10135689 9532141 10025790 Glutathione (oxidized) 177789 395067 186509 321786 264401 481279 158125 190259 343834 479880 393238 417529 384351 174900 540115 296031 70381 165449 250495 43536 385529 237079 401916 180058 700187 111336 45145 486482 668975 511104 656533 208777 174405 152620 243379 276298 117145 129370 395130 91595 227849 224965 848248 318233 355653 367799 367462 233872 427053 45680 163449 295934 114991 282534 409386 181629 466117 214604 185854 388999 247070 508988 610813 500357 88251 196829 16453 180940 106315 121220 74636 204070 288542 149514 202788 300817 301913 229187 257876 94836 205357 176041 112864 183891 79272 176862 72751 212071 207893 281866 194978 270667 276778 94575 184071 221743 80573 102390 155131 175566 242242 54569 110841 256460 62913 245183 457695 276227 55850 125356 193137 153455 78637 243384 241424 414551 326812 253045 455793 373006 205617 309422 647460 242642 505829 469477 327045 152167 168028 13100 169508 37534 162953 34728 207617 320477 173891 325702 166753 171380 121696 212263 136676 91233 202268 124685 148498 208242 153976 41202 5075 199463 292191 287476 252691 252325 212724 208837 246916 305055 360273 340340 362136 357465 336426 344427 355798 362770 347621 354361 350011 361776 354001 377228 375976 Glutathione (reduced) 525035 1099072 360141 873328 1721290 1355570 900889 994918 216943 186564 3180856 338122 495153 263840 252371 176638 485310 517238 380354 117075 467990 416577 1223458 322913 188504 353918 217362 243581 219699 346459 159214 178912 976186 2641516 2891398 1082759 579135 758109 2179901 267534 166221 193761 554382 233276 2411247 283357 188615 164327 5414812 205630 907280 1622389 534936 522230 2003275 499616 207006 224727 379589 161852 1298396 379630 216616 211709 150235 254333 133690 262338 289724 236315 223948 513813 163154 139933 193518 177649 160438 587335 227078 195864 463615 599165 385767 815756 214584 401761 210620 454129 123665 400502 157824 141077 220612 164430 261761 120452 159108 244974 209545 237384 635538 169785 530803 792595 198135 337266 362394 220076 141895 163307 182675 109746 208032 409446 393938 402538 323985 326813 343512 342329 111488 214970 197792 99691 265014 292831 204343 423620 264699 232526 421589 139704 268431 240484 525062 678307 144095 133404 148211 257299 124142 131784 171144 229475 515571 160451 318675 351784 284480 154188 184110 309733 710748 156833 151016 131596 247182 148859 223775 40267 132756 126089 124181 127374 137094 128599 122646 123264 118067 145472 143473 132635 105506 121972 130301 Gly-Arg 5657 25973 23341 6345 100 21844 3988 17010 15873 58027 21410 53673 53121 33844 47468 25780 4198 15357 41105 29496 15412 17806 6859 19604 125037 23661 36152 73764 87965 107588 56960 39996 14349 12068 9855 11027 11753 8830 31216 10856 67938 23170 38563 34402 19518 28436 48708 34353 13968 12908 5334 6783 3639 15043 7313 2357 28170 35163 35685 17969 11449 19675 47291 11291 23805 25611 53683 8805 15982 32436 36331 8560 43309 97164 53296 60742 68249 21999 54163 44224 46216 50618 46944 25489 41918 41732 46323 60956 294344 78329 99301 108858 106610 173162 31548 95545 35082 16960 62154 57029 26072 60504 48460 28998 44296 54041 76929 69898 72412 80544 86230 85874 14688 31668 4326 21556 100 16741 9808 23009 67151 41598 47180 28456 36322 27050 18090 55216 38708 59733 66250 67897 67389 57657 34594 31097 70798 106283 91378 77915 200314 169600 84061 44826 11857 55980 17001 30181 38750 25263 19643 75967 23971 78722 86679 44110 55938 67007 55432 14397 11962 11813 13885 14460 11815 13739 13673 14450 15262 12443 13196 12540 14106 8642 14742 Glycerol tricaprylate 15913 44360 111833 7471 11820 16163 8640 16396 25688 13100 11490 24396 3351 11050 9431 5181 37822 27549 8431 22745 34156 8112 10140 22118 3255 3741 19784 4770 24345 7617 21893 25744 63118 19574 14925 33648 13731 10649 10442 70546 6391 45498 8077 20551 13998 7167 515416 18614 8394 109142 9304 4951 51956 68010 12952 53348 34896 13186 23633 18002 61801 34444 28327 15701 29118 6139 17795 14629 73401 20959 78112 19831 56463 27205 34837 20005 27396 10171 8811 18297 95007 16794 26684 13180 30412 15002 21480 24470 24434 84596 27234 20085 22983 18778 19718 21613 20463 28845 54291 37304 12290 619447 747778 34690 44532 22555 24737 6032 19405 13572 16227 14355 4846 111749 24356 10825 9696 26238 25071 111120 11758 6076 23125 9137 22139 97943 38483 24405 19343 31443 19965 25278 186060 71857 23252 14186 30184 19589 12760 11576 49646 18680 18282 78112 9747 37827 35968 24110 323178 2607419 80015 16544 16020 13028 16814 12595 21876 49754 9884 30575 15035 11805 18003 21652 27284 21252 18556 13950 18219 8470 8646 17135 14812 20088 14330 Glycerophosphocholine isomer A 26342470 53553630 13012309 43552579 39601798 57457217 16158617 37448683 39256984 29886943 51477043 45883298 51574906 23125333 51249355 45909937 13068348 34667396 20136114 7513829 49322335 26855403 37113467 14816807 48971647 22553335 25415588 50699745 39439909 47069310 46407237 36952839 28867087 28163310 31435109 21816730 13352255 13924075 28130443 5617020 35576657 12980601 25707894 21589067 28352031 25677882 24691901 24073400 46588094 10035686 15220454 22332108 16101357 26877058 36443787 15882293 30392169 33240698 13420747 34695968 27360162 18993375 28053681 29784243 32421767 34146098 11694393 24829413 55600326 66522439 28002520 56830295 56026794 21502727 60384152 63859042 69600497 48300258 44811141 34193264 33955610 37123609 12032219 17431802 15981356 15332154 3060773 30581399 31235890 36943408 23045577 30907272 32998310 30742854 30712920 41930062 18109079 19266129 7884556 41307845 28794163 8891045 34655408 53541644 24692439 37942700 44192850 50398005 22657341 34595942 36128731 39725850 10308471 16697471 19570290 16071355 14551633 14318307 18506907 11960944 38267429 11093029 28239376 11421040 24218329 25397245 13635701 21314871 14913419 8932971 16544532 2576601 23738718 17314349 36359415 38199377 28431289 41821355 20501318 16459272 20111092 23232772 24427710 32821368 13263851 24953658 16047523 21552606 26096589 2242861 12216997 34345216 30528496 26089962 51409468 42973367 19620034 36484488 30446535 35302795 33903782 34356388 35111247 34744276 32839900 37097980 35813048 35107268 33658638 35425683 34683392 33889291 34864313 33790080 35691178 Glycerophosphocholine isomer B 95996 150627 91827 140628 129281 181724 92858 125342 113926 285702 145692 159743 189905 149201 118364 115899 86174 159469 117394 92668 248760 123774 191070 113339 126753 130674 161153 254901 115302 145318 178876 140654 120846 199931 161091 129664 102330 141575 124038 100842 222767 83682 263588 120174 150303 189083 121960 127245 176839 121714 76927 85019 67389 135250 164817 84137 151113 123629 107180 136757 103280 194691 218524 110603 117636 150769 84490 86113 127004 246779 93184 110562 186527 124520 111282 180086 191495 138572 91420 211909 248811 231431 88958 124513 115487 113171 54506 143339 183025 160446 130110 149417 131606 164781 139213 194274 91505 98394 101202 136289 90730 96694 180082 158440 114469 106775 106219 184159 205702 160731 157082 160825 86599 115550 54791 75917 77138 91587 119121 105066 193438 174315 120036 105240 95367 98485 160368 99230 101174 68929 88210 36731 94503 70440 108640 109506 109344 126025 99445 180584 106040 118435 153008 118528 73036 85546 90432 119151 123838 39031 78897 143932 140891 204429 136152 138856 138464 138868 143080 122246 105142 98820 105746 105212 114115 101950 107876 113046 107933 103135 104752 104306 102292 121322 104863 Glycine 4033861 4943794 4033544 3722278 2814605 5204524 5416461 5620944 3232005 5676457 3927096 4371951 4814334 4904184 4545846 3926403 5405443 6127439 6506118 6667469 6814330 4974710 5550565 4983022 4926687 6761166 7729850 5824481 4558537 5094957 3700851 5567899 4607238 6001445 4839111 4530093 6568805 5080437 4714490 5290713 5622274 3453067 5280250 5465106 5291157 4093892 3913454 3668844 6028898 5603030 3196695 4081124 4182040 5627828 4176670 4433943 3854300 4005608 5113290 3854641 3967961 4594911 4918015 3215575 5211337 5697035 5585758 3520258 6098160 7276654 4721091 3440827 3903355 8250331 4737863 4906553 5285837 4354562 3397454 5826798 19079002 15520289 11403883 11547085 13561823 12825665 11084962 12812511 17289783 13541536 12836105 10971595 9933184 12538976 12109458 12555409 6403953 3834562 9527019 7246424 3821167 7213709 7330342 6958056 7800230 5274839 3961539 6094691 6502785 6321405 6079619 6089385 4023414 5917520 3936646 3680413 3004542 4829321 4493983 4282100 5738012 4369288 4352106 3824325 3567244 3626749 4474769 9354624 7856810 7827208 9172440 11351316 10280619 10617494 7039572 7439163 8305427 8639716 7818058 11770360 11135630 10811275 9064276 5733366 4198946 5773722 4699131 5015433 6143244 6446904 5027955 4716135 4916846 5267083 4734234 3960295 5236270 4785145 4365205 4256634 4283295 4400029 4421248 4053361 4385121 4321594 4479740 4428747 4301370 4403354 4164830 4368171 4443842 4412163 4402843 Gly-Lys 5154 12936 11170 3174 100 8241 100 11029 6780 36731 5131 24547 32563 18804 28642 8647 12212 22464 25443 5970 26085 31032 19889 15476 100133 13982 32492 72135 61675 118856 58086 47250 16585 100 6150 4175 10531 3273 36478 6493 42247 13349 29984 30175 10615 32714 34825 18344 8075 6270 5354 3096 6792 9838 2991 3242 10952 27693 14907 16441 4929 17781 18547 4272 14324 11460 21394 2440 10646 17036 9584 10184 22040 31741 34420 34399 35362 10242 34790 27055 16108 19727 16618 17579 11666 20868 18691 28649 81255 34006 37306 34472 38213 64690 13354 39428 5184 8047 26677 20487 4020 22103 15282 10615 21300 37513 30878 39552 32320 36084 39022 40170 14264 20232 100 20462 5700 15982 6272 17110 45531 28466 33571 28855 37004 16441 23133 22711 12323 18118 22675 24241 15593 16635 10393 12468 33462 35741 31164 28700 62784 51341 32806 15950 2794 15805 10598 4460 8787 4490 6052 21753 5609 37198 34934 17751 24103 32485 19598 3402 5535 4019 4061 4266 3250 3980 4034 3778 2754 2612 3460 3661 4149 3781 4107 Guanosine 5'-monophosphate 28784 297587 59631 1135699 921550 492275 231539 622327 380829 486374 942554 348078 438202 46808 773116 763298 660081 1189359 394963 762712 869635 938714 1487624 645369 1566203 162195 854840 1610705 588809 1731117 1514025 1087615 535206 1211842 1501647 247395 271082 1064307 741704 149291 595207 151183 296151 578085 68976 1253860 671054 426489 2355017 289051 466433 309961 542024 1504826 1702755 419106 1647223 889216 1373313 1274267 493933 428549 1063540 1335575 132445 404991 65763 506570 874461 480780 232491 760732 653220 273708 348777 938637 652471 389508 324717 941327 777273 825474 147613 907482 358603 464217 38913 1038876 121053 1116387 323929 682643 670184 642838 409823 882133 140921 206596 29082 163637 271331 52976 159125 263484 34805 416658 249788 205347 149721 213426 159618 214260 14804 304814 327547 349718 219596 199372 264329 91152 794057 280982 304117 183716 325982 388400 162624 144733 179375 95763 266372 18553 188641 144274 322464 276107 315269 611290 190331 81030 67918 70292 157948 296337 258528 244499 142048 174562 190554 5520 26063 174183 261673 166778 1055237 406151 185985 708387 508686 925986 933541 962260 918776 915320 953695 960664 919528 938394 934697 921435 937764 942635 942567 901746 916199 Hexanoyl-carnitine 2898 16440 12011 6563 9490 32477 100 25365 39119 3824 10219 73710 14514 100 7952 15719 100 3757 4811 100 100 100 100 100 5774 100 100 100 5312 100 100 100 100 2606 100 100 3580 6290 5884 100 14862 100 86209 4992 49610 12422 5911 7463 8124 100 100 100 100 4730 1473 100 100 100 3850 2950 100 100 100 100 100 100 100 100 21704 9248 100 4029 4754 100 11324 50588 7118 5164 5941 100 4139 3923 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 4181 100 4827 100 100 4818 9001 100 100 100 100 100 2254 100 4280 100 100 100 100 24432 9327 100 3282 100 5709 100 100 100 100 100 100 100 4411 5213 100 100 100 100 100 100 100 3456 100 100 100 100 100 100 100 100 100 100 100 10168 4740 100 100 100 20172 22097 20722 19714 20130 24205 19277 17002 21371 23953 18883 22233 22159 24711 23920 15112 Hexose phosphate isomer A 132637 87358 59538 368298 122626 323722 74730 215984 246399 37890 25178 184606 123852 355446 96036 43916 723116 299209 261339 373488 443266 296399 225010 417580 567593 298703 576824 316490 519368 362760 350556 447187 154697 115304 25043 12419 92573 29394 51794 11710 154743 48870 52018 10315 64931 54387 42328 56866 1013421 946708 480100 884542 963974 1077703 949930 835903 1250255 1107496 1029550 893366 756745 1218543 899101 865830 481267 407311 596397 283019 459361 587846 486425 518803 577499 581874 665385 647251 581572 621075 515795 518086 312829 434341 321866 358487 532964 578019 272847 290055 668914 494257 485221 601963 439094 391419 802577 683523 596401 511058 324469 488509 576581 552863 435243 397154 419148 472391 569991 496033 590026 578354 736462 545159 535842 104803 344834 455390 252178 110465 212836 983310 240926 89470 170514 245367 274499 265391 175895 293299 755206 369732 456045 471318 511958 623050 585688 781226 395756 604993 513831 307249 583673 624210 557006 397328 304079 603057 158599 361439 304527 82781 229556 461218 467191 449909 487165 507204 275331 306267 344428 235562 269110 263084 257970 266951 267952 272580 279493 269638 264542 260120 256781 254629 256667 270278 265457 Hexose phosphate isomer B 47353 37447 16821 127276 8081 133934 7490 134228 58521 7658 4332 54992 43680 256041 57472 15386 198277 134380 92676 198067 166960 93515 120527 150210 207266 128590 289242 147746 165914 152292 150528 261881 74300 45282 13375 8022 25477 5593 2370 3057 43258 8268 19509 5648 26379 7469 5779 4565 492398 338802 129487 255722 265810 432445 374756 325399 455500 546809 502484 313456 262406 315322 453024 199960 294324 266891 276498 110273 304110 382472 200731 154256 207910 256499 311579 261045 272918 244461 168479 168476 208082 316181 196712 156412 305689 338697 185616 180740 276443 237977 246801 170787 154322 207488 380917 228806 282210 243565 219982 284943 177006 265186 248436 165512 253871 208369 191385 248028 335464 233785 334903 248540 369325 24595 146904 156404 71482 55957 119468 356423 147637 20228 117440 49329 104700 87936 83640 247893 243318 221943 226055 284230 261848 367605 159122 286033 154297 233499 236141 204387 192473 252578 212345 209607 121090 269884 118357 123878 184090 63542 111512 183988 140878 184290 174906 174391 102901 116127 117620 58120 64268 60742 65487 63479 62258 62443 64675 64639 62464 62646 63064 62446 64350 61080 64239 Hexose phosphate isomer D 59892 36072 9688 162003 27341 161076 23119 106036 86086 8176 2285 81247 56413 194018 56690 11745 345149 123374 115471 220104 206859 120963 101324 168238 368245 137563 398975 186673 266813 245963 169913 295485 59344 50748 23437 11839 40010 3487 18039 3798 98320 3741 10653 3314 16199 21082 16260 11429 573483 525324 187643 380101 442680 606974 459849 473486 833103 764444 728480 493252 359022 616516 631451 390261 270830 231657 295953 117970 305322 380413 267943 225546 299959 340772 441987 396923 383461 313481 266902 330874 167287 258113 212775 168927 281055 314889 144915 137739 391657 242938 273610 281977 202207 285633 438182 369616 295952 287506 154057 282466 248202 299842 289374 228855 227660 300198 275161 368368 374108 349450 490801 324932 286260 45959 136598 193649 90541 47107 89138 476689 162592 42371 77504 107988 138128 103609 91746 180416 402195 199845 243808 230752 258511 398679 263627 425149 190892 315746 262761 174212 292408 348906 295545 209121 151097 325793 79935 155954 159581 44438 108045 234312 194934 252012 247591 275575 138531 150408 181066 109644 124821 118869 119822 118191 120278 124198 120881 120802 122095 120760 119252 119808 121882 119319 118472 H-gamma-glutamyl-glutamine 746132 5339727 1070757 997729 595970 4333098 993290 5464793 852723 1022886 2428489 1116934 883571 939424 2495037 1276042 755351 6403210 946263 827721 4699552 899802 4512066 883726 897079 2756877 2360267 1586101 983302 1681781 1999665 2098857 1740470 2617672 3622276 1109831 991373 5361950 1267024 909239 1484587 619454 619125 2172108 2126693 1068351 1101642 659285 5014855 733049 311866 630945 271768 5740427 2022846 625325 408676 1118943 1071885 718324 1226977 359247 1446639 499104 769454 656201 203974 1072936 3867386 2662089 499050 1001984 427160 399654 1157849 970611 512028 1598692 365112 431629 2499507 2109783 208157 310455 2553947 290262 129308 320841 211828 836682 514544 260349 220720 73453 1018526 183827 1615425 372364 107682 1612896 577849 52290 1910158 420571 1000164 653917 329112 1623322 84485 217742 537913 138142 568274 759014 1839281 572748 437149 1264501 1437384 629722 344040 190893 2221730 64877 508852 2146614 414735 368735 382368 198157 283678 93450 715172 1326652 644610 681312 414576 273886 426180 74384 25296 223906 20503 1501093 229455 2412969 689598 600862 1996270 54117 377692 944812 1148735 889021 650530 442970 1571438 622044 471059 3397994 3631288 3821026 3690090 3942885 3597958 3620801 4025003 3983280 3991475 3927404 3866518 4035065 4105710 3955689 4048117 His-Gly 306102 220059 282001 125241 32399 196350 186031 210768 100 262954 153063 100 225240 414669 187737 100 445192 151200 307213 422499 63999 287610 104132 287363 18274 282436 414707 27797 312840 27576 100 311847 136657 248995 139209 137758 270162 259851 197900 279393 100 226934 357481 262239 231354 100 288789 100 109015 215840 181931 114138 126788 143027 100255 86571 100 237329 176737 100 171319 172594 33819 100 330133 258929 841108 247673 252409 284362 372288 182184 261876 744450 370662 40929 38855 262620 378508 100 414071 394303 643902 261188 538297 503350 1079890 384555 1065417 272807 716724 100 337218 100 569472 8525 497372 430235 1047960 588556 308224 968498 900064 765061 753212 563280 397512 18166 24593 100 723692 25457 224724 249819 51133 92564 44295 176092 70365 118659 3274 100 127925 100 98649 30004 94282 640543 759927 743762 571689 1058797 618270 742766 337661 473859 335302 514383 926317 100 103998 704860 100 617010 631680 523055 369008 386940 533192 1102067 479011 689227 453676 574939 4588 100 428964 100 530857 132451 127873 124980 134172 122781 133873 125106 135416 130852 126626 134940 131262 133688 134069 128279 132914 His-Pro 81853 137633 74400 92442 87376 64276 23451 51509 58985 38825 83805 62936 51439 61841 151562 71883 45439 42928 69404 40472 46608 23397 60710 55611 35683 22818 97956 53859 39790 48157 42021 59198 60498 64396 55234 27975 29982 22521 40295 51160 54908 50596 31420 57320 36524 33056 83085 12379 75387 37859 39648 16463 48299 52058 50282 31782 48285 110113 92132 48612 13307 33213 58741 58789 55864 64702 65055 61957 131827 119065 49611 103190 78480 70853 124775 171655 122310 91105 54551 48952 131545 59227 54377 32786 54422 49151 52725 56068 32814 114431 74945 38511 1134543 47604 39746 72666 32985 44613 78487 83201 34679 34066 94475 33930 44988 57581 66547 43748 42343 41335 66757 46850 29957 55232 17767 30138 26475 18536 31186 42400 39148 18578 80566 73067 137783 163036 27988 31063 39520 36111 22211 60103 74636 53562 67868 46467 82772 53361 72789 44140 766775 40522 50335 57686 34687 29495 48756 26845 114339 32416 49037 83844 44331 36174 63216 57674 98153 41113 21402 53752 60143 64390 60260 63442 64928 61214 63578 66836 64694 64306 64184 69993 63923 63905 64949 Histamine 110174 339813 110065 148095 63841 325296 102486 249844 10892 232081 259767 12326 234422 101296 156795 6255 7716 8167 28535 25080 63286 10591 14704 13211 12842 9614 27412 14107 15701 8915 7345 28652 77126 44618 41443 30211 28563 54947 24342 113603 3078 31207 32916 39108 77126 11151 54973 9665 74422 18356 14881 17657 28283 52692 47801 16587 9746 22843 28373 4922 15107 21067 11432 6538 162100 158811 159662 75351 711227 224224 141138 210592 429686 63552 307925 53716 11507 240499 229088 11135 18836 21616 15444 19681 22087 8554 17054 30214 12800 33757 18394 11984 132968 6969 9979 15818 71373 42600 42923 80239 32162 52508 83638 157236 98619 82736 74911 5481 9150 7893 74213 13131 13291 27493 591910 17406 26067 7552 21587 11730 3363 9701 24441 10460 25173 43877 14900 26601 33389 21185 15129 64048 34227 43646 72369 100596 43980 127723 79543 9870 33784621 96296 13231 88801 37219 317426 28391 79722 85458 33427 31522 85647 94218 106742 14672 15949 160478 4013 52583 92997 94813 93962 97224 91783 95906 97204 96043 91067 102089 95359 93859 96226 93474 97716 94521 Histidine isomer A 7327694 10740790 7709542 8795220 5771447 10353473 8993159 10516524 6219907 12009556 9014500 7145883 12182113 9412283 9148071 5075935 8916034 13367513 10883713 13056480 10543042 8773330 13077515 7570590 6061083 11868535 13619942 11190771 10538285 10374865 9640936 11976691 8172086 9064875 11045347 8868486 11040479 12168548 7875181 9207724 5800077 6842240 11103711 12188211 9545861 4878210 8694208 4555496 12360087 11218060 5755996 8028537 6727205 11373731 7692494 6616216 5949587 9206830 10063706 5585990 7848769 9962538 7093059 5757676 8210219 11574014 11446623 6245152 10954417 12685243 6551553 6554963 7957403 9759866 9771260 6065062 6494357 8692211 7301072 7047982 14130602 13104590 8491585 9913665 12696947 8700556 9441432 13500231 12197453 10591613 11523963 8706772 11191499 12299042 10055057 10004949 9214074 5774964 11721053 10665095 6470917 12399546 13791090 9888180 10716966 9056324 8246095 8352326 6803680 6740268 9640830 7496895 9487992 7343758 6700288 7073436 5712405 7713203 7461529 7491471 5135115 4942529 8900205 3890497 7720515 9042164 9507531 12048731 7017455 7547369 9303360 11191017 11330489 11358077 6148229 8726293 7553405 8600863 10146964 9581007 9474486 14044379 7574012 10852493 9147205 9659066 10158442 7583601 12265799 13836449 7603157 10282932 9955524 13526585 9818518 7713362 12363746 7322848 9848604 7471013 7652494 7974516 7679067 7843780 7664888 7683797 7720604 7687236 7622982 7712872 7640036 7731374 7730328 7677289 7684994 Histidine isomer B 36617 65379 44834 47318 6390 59312 88295 76379 1895 143173 69547 16333 123731 39279 51144 2642 42188 94562 94902 65206 76659 55179 88259 48248 21511 55936 55490 53172 69830 29217 28885 55630 45821 53087 56290 49245 56437 70838 54989 48501 5179 40410 99165 53014 72814 5507 49902 1459 86466 49332 23261 35892 28547 81175 44096 32919 7729 41573 26726 8248 45125 52171 20364 2235 49378 73293 68090 36819 69706 86127 21370 28244 53354 40240 52770 12696 17033 51442 43952 10404 88113 75772 25316 46013 78427 48387 53249 78620 51196 53962 44317 19080 70361 22418 60739 21892 21617 21460 42064 62897 23196 40455 72776 44969 50868 36805 21987 11278 8296 7111 49457 14613 45470 53647 20365 51655 13994 45853 53009 41318 9832 6598 43957 1770 33363 35357 59592 61374 27355 34097 59207 49208 65990 52250 15787 43819 34666 52542 36105 10974 28541 73835 5716 54303 35929 62988 50637 49131 71710 56443 40489 46983 55029 94040 28118 6626 62896 14882 59266 16359 20010 20041 19351 16070 14972 18496 17844 16306 18808 18960 14198 18894 17413 17644 16456 His-Val 108559 147986 121789 167325 63342 202663 62766 168964 8965 393565 237036 100 668695 159498 247078 100 98637 195433 127033 96243 282261 200467 159540 130867 100 137188 179712 100 429298 100 100 318723 73735 439716 368612 122716 126982 278595 126010 160128 15509 137910 475290 198016 188527 100 171995 10398 219351 88790 74673 52973 21357 107759 156356 45239 2999 283842 113710 100 48184 127789 100 100 158294 165255 144804 80143 227066 133458 133544 290498 628885 739349 280779 100 100 185519 977673 100 517844 658306 351742 291812 397549 363330 350422 646110 2219075 662469 475101 100 1028923 100 364522 100 190066 127070 128436 638555 163840 149777 274643 415835 267730 344866 748941 3725 100 100 359410 100 34953 118595 30833 51384 49176 111904 78798 21256 100 100 123364 100 100222 64850 168510 391151 230014 397456 446820 201517 629328 487230 490640 285140 600680 919199 449911 100 51788 773730 100 358383 80034 275213 137735 130262 232647 87409 115920 262712 165694 529122 100 100 174754 100 362583 41732 42532 44737 43983 45618 44361 44824 45348 41877 43956 38391 44482 45458 44515 45220 47390 Homoarginine 327944 398619 279049 211955 203805 433533 458430 358702 348905 685553 468558 383329 468214 362741 439327 341035 145357 236456 202479 221807 194974 172564 206648 164296 215524 150640 186888 297544 221077 305101 231862 180011 340323 421189 367484 383569 400839 427029 475043 315645 479336 269849 489983 448117 434251 477179 361182 299995 416913 332006 242421 298574 281411 383990 355717 256008 406669 291291 359075 314912 288711 366430 363474 325398 174562 235710 154571 212667 229125 227241 197314 170898 194034 128947 193372 227279 217043 188906 178609 282289 197896 187980 121495 94350 153674 131005 113216 172938 166881 137225 123913 137414 113836 138025 136449 108162 173721 176299 218769 211704 127333 165081 203664 165939 208847 167545 175809 221605 274176 234994 211900 247157 260124 382596 247199 234984 200427 342123 297585 288833 466932 371412 269012 229505 318991 322752 395694 140575 114481 90610 126433 102883 140977 137280 131085 120887 99959 140202 128177 170520 140465 203197 132212 192473 231791 154215 186514 172050 232039 126809 151886 202134 175979 326189 267213 177395 222047 250472 238185 218028 221784 216021 210437 216470 246691 219182 213555 233597 221657 225763 223799 216613 225966 208486 222813 Homocysteine 2672721 2768196 2615750 2755918 2745334 2959722 2876859 2881907 2364133 2582545 2738252 2978906 2705255 2632215 2627268 2512012 2697637 2313323 2410749 2545801 2800499 2758462 2376750 2030200 2776053 2573234 2713078 2640005 2755327 2375948 2547247 2776828 2805662 2326576 2534460 2440028 2373112 2274477 2406453 2505026 2933605 2684597 3370099 2374763 2651163 2818171 2621881 2315240 2666416 3241178 2653924 3207676 2955774 2729661 3094712 3216698 3466813 2945574 2781583 2590152 3100321 2781894 2513402 3102323 2870893 2811636 2895946 2552146 3003930 2657595 2630126 3033438 2819408 2767963 2982216 2629045 2560959 2536274 2837877 2659576 2328935 2922781 2269539 2815290 2763498 2793138 2668687 2957750 2946109 2657554 3056873 2597441 2530917 2693183 2707388 2622170 2691359 2843628 2805207 2763306 2673246 2941101 2815847 3014167 2627173 2630202 2566781 2652173 2361198 2665504 2445967 2499654 2829818 2253539 2866038 2678994 2755006 2387351 2683886 2767209 2453658 1983699 2420207 1900666 2731864 2553004 2395161 2458319 2428549 2680127 2850359 2471586 2628529 2970527 2395962 2420157 2735554 2951152 2637835 2636777 2771279 2776520 2790746 2931261 3131132 2559572 2568477 2827147 2609686 2621402 2742161 2896144 2747435 2947793 3168847 2846570 2852826 2662248 2764009 2775777 2647225 2709501 2710502 2763122 2741946 2677049 2684177 2741669 2613243 2679016 2849762 2658726 2601716 2654825 2700751 Ile-Arg 55424 30480 65920 35375 57399 14729 91031 16926 65851 93071 27537 103393 106551 435376 1389474 111102 62155 116760 82557 25689 87887 36478 105556 64622 386384 92539 258063 98021 262113 136041 226542 441982 120157 68300 45828 52020 53393 44417 45934 53021 175509 622374 87316 1157643 22281 165902 829984 138680 24029 17935 69414 23947 31496 14810 43876 71201 76855 489305 232520 5212 7200 38234 141310 129319 80114 90100 107259 49154 65168 23505 96248 32590 117323 245588 779448 160928 147624 36726 176611 40137 61478 69185 76307 44537 63077 67593 95900 96354 183269 628507 372417 90656 201833 106176 76162 84374 21402 69143 106907 58044 41107 67174 45915 35174 83911 551699 135383 150034 53187 41173 431871 18773 35873 127539 60456 28299 58353 34023 29029 28580 155841 29513 432219 40202 307509 160008 77063 111720 35472 61307 69232 61228 63146 57570 35167 21757 373744 126429 310372 80251 212617 264782 48931 46627 10847 40787 38519 32101 39320 63287 49733 315861 9261 175299 60291 43095 477716 61342 80725 25770 20572 27259 23546 22334 21154 25722 29532 22339 21376 24593 20848 22759 23881 26843 24256 Ile-Pro-Arg 345348 143841 379040 91540 23800 120476 348564 144474 132737 363465 96545 361951 391835 423152 160353 51645 279925 107580 365483 421824 33624 178610 31226 276684 81071 179900 246748 110081 215704 81033 132354 153269 45108 237897 133428 115457 169239 184918 59464 505865 216564 227101 355452 142435 187126 103119 327485 278965 70405 296402 172356 184292 135843 90995 64336 97041 105800 142661 100419 91369 147927 204562 182066 93709 504753 319026 981943 271214 250944 304777 395096 211987 320892 382684 317940 310167 405668 271672 421420 435617 338792 339406 367034 98850 488059 428917 1183595 296058 897072 228356 501768 163602 273597 536225 319497 394823 507619 565317 1054435 544813 301065 1641193 542502 471663 932159 347630 435183 388434 513925 531979 437037 610016 201946 186866 17157 11053 13955 116137 31334 107918 108976 68311 50616 18895 42308 19598 83079 688810 533702 692444 685912 1401732 719099 799071 399651 364801 307925 406233 855688 1005282 1112269 912813 762093 723109 807510 305290 492037 280943 613884 1444549 680413 445167 396742 691085 376870 363370 449613 503021 501143 96057 96332 97119 95640 99437 100927 98089 96343 84092 99653 98332 90192 94598 95590 96490 94831 Inosine 5'-monophosphate isomer 305706 701474 434925 3524000 2092127 844084 528061 1387045 718731 929909 1574910 796913 1032453 141227 1193407 1815704 1320165 5202455 755391 2143966 1512178 2243400 3571557 1877849 2820782 547347 2113278 5605855 1314627 5465823 3971916 1763943 895954 2481122 2492342 548980 561479 1709313 906568 542404 1410445 532602 701418 1357305 332931 3127612 1839481 1117686 4171480 261398 796069 734069 1013257 3367479 4463571 919429 3440816 1281117 3183988 2593773 1246413 1046517 1869392 2574417 495586 720838 219250 747122 1364247 800220 371986 954268 668887 383312 498205 1131438 1250004 595742 458456 1611590 1462066 1589069 248156 1448543 776564 928660 121285 1278243 199690 1310564 505524 1319252 933765 1297202 1008116 1723132 399438 426535 226128 422351 230131 188063 266564 351910 381707 434472 293863 246357 407622 347830 277672 434859 304754 994127 569224 753265 501609 819317 860172 97786 1341502 1187512 718131 623611 855875 802164 568996 239661 254190 250404 358577 110255 334521 216948 448958 521050 367933 820596 316870 284576 164510 224032 350654 386472 312110 331987 383172 372476 594398 248853 202030 317297 320188 292866 1791040 740620 372896 1326476 1017288 1066811 1057705 1042688 1113774 1056730 1035218 1061025 1060655 1053469 1064117 1038595 1074388 1047855 1058565 1054346 1064712 Isoleucine 1644349 1541966 1917525 1279331 801421 1946362 2019574 2018380 4381332 2470251 1335164 2102748 1730618 2082631 1834661 2195763 2235093 2093525 2574717 2383285 1877715 1806517 1903334 1964663 2626376 2987632 2666526 2314814 2152472 3072080 2026329 2319602 2349104 2396880 1954916 2899931 3075926 2625958 1627447 3057283 3105322 2222907 3016221 2941340 2932269 2303432 2243839 2260706 1915818 2585601 1475931 2118091 1898601 2076769 1550993 1412608 2145429 1830071 2789433 1984575 2142434 1762916 2417498 1576594 2746669 3108370 4455280 2362079 3566791 3694629 2897269 2123670 2704005 2719932 3923658 3364754 3902813 3027735 2781578 3792081 1932932 1943995 2472693 1106493 2227435 1424707 2615032 1696012 3548848 1703790 2477915 1421972 2280551 3144626 1795398 2181570 2540123 3043451 3990511 3045343 3737620 4995448 3719768 2977717 3046670 3027922 1727314 4500213 3200309 3065288 3188673 3455450 3305550 1719478 2119762 2089970 1252826 2219050 1846153 2479452 3386789 2379270 2017640 2612087 2028855 2001375 2478506 2569072 1962955 2515224 2799231 4105336 2991849 3604071 2301250 2243093 2371996 2186869 2709309 3098940 5089162 2305681 3110174 2866323 2478090 2772771 2591337 1609969 2533852 4295892 2858247 2670473 2137722 2381510 2305566 2593127 2549001 2683864 2679761 1910555 1753968 1724193 1750832 1803564 1778518 1761679 1716870 1741032 1738202 1729602 1731544 1778213 1723227 1697370 1764818 Isovaleryl-carnitine 645184 678801 412143 630843 491400 1128069 463154 990944 891806 795867 890414 1074929 1467041 667064 472268 597437 220618 808323 237162 272697 675147 328737 400894 284723 785596 416535 423297 816175 517223 718006 495811 395949 248473 753533 523123 241816 411063 859423 367362 219864 677540 377199 591907 308529 387300 278017 307803 354415 607980 413699 291305 302685 292956 911115 496774 291077 447306 616989 278163 674919 427321 411809 539347 427404 248726 218301 273925 283508 527110 550211 241775 272842 454234 467992 432329 431293 493087 447277 407959 405486 728203 846807 214451 445734 1011851 307208 218563 522038 696141 604851 448523 737392 662089 753024 896335 803293 461400 207939 170781 451230 194243 319229 343407 454450 274907 235126 318320 385150 216643 323747 324854 262455 292784 261836 318532 485048 178244 305166 238680 305664 751357 267156 254393 297796 312476 335491 309619 375810 327452 274773 327381 269870 548208 900969 531143 635037 411024 711068 441489 282756 456540 700412 412548 715885 337001 891861 322877 462340 506537 237229 257508 602790 518633 579265 913126 691456 302450 597763 562514 524720 524972 549004 547428 520079 532426 534939 565724 536195 534811 560318 543568 553738 531935 541518 539010 Lacto-N-biose 63989 90721 78997 87404 63819 111814 84569 97595 82266 98502 105567 82580 94486 78407 87669 115618 63355 64366 72229 94988 81718 61155 68863 79078 60457 60903 65428 102869 66720 75952 75878 74559 101439 124189 105725 95778 120521 101673 91244 103877 102071 68042 100186 82978 76733 106680 90169 105539 77553 100795 68269 77536 63460 86013 84797 68677 76819 66580 72567 54522 51779 63424 77490 59695 78811 106234 82054 65750 86728 109196 74028 80851 73910 129330 83282 105606 98846 87184 74862 97762 157200 159191 158296 156450 146137 111678 102437 130950 137530 135041 129033 138191 99991 155632 135586 144053 107652 80791 87223 112398 73075 106208 156745 105573 102352 97106 96685 98845 85661 106092 92681 85527 50453 78409 48589 66054 64753 69388 58213 61345 69158 70474 77077 62327 50455 61305 76562 116664 91282 95476 106151 107897 114213 130637 109008 130660 97967 123923 132397 166453 101232 139748 129663 90783 101373 108282 92766 64787 115683 92434 94289 86769 99553 125801 121497 95001 107685 109697 116752 94704 93061 94373 91848 95176 96213 88225 91250 87043 97050 87838 90207 95888 91581 91623 89653 Laminine 6947848 7632798 5758540 4992292 3660973 8398307 8501562 7035877 6160626 13479456 8757107 9623160 10768549 6025021 8232998 6243250 3242007 3553972 3557439 3328988 3891574 3475200 3503174 2464963 4412279 3434084 3728535 5205195 4170366 5455858 3918979 3090624 6715736 7018630 7399403 7778824 8175894 8362013 9344517 5549803 8785642 6209623 9877998 9609841 8455526 9131795 7367668 6312730 6731189 6720954 5012617 5741564 4549008 8026766 6605024 5211875 7438045 6037945 6988445 6775308 5411006 8181161 8299964 5463951 4076072 4727280 3279772 3854820 4261461 5931624 3773377 3085166 4656255 2342724 4003036 6073145 5585951 4041388 3566806 5969373 3672152 3258197 2081874 2042324 2627154 2690725 1846894 3287914 3627974 2605107 2932964 2863533 2264586 3426052 2520042 2617646 3416907 3140111 4056936 4426186 3384108 3248431 4835664 4469487 3797113 3160770 4408543 4490363 5042470 5089895 4288027 5244732 6117977 7228007 4608345 4906742 4976679 6722023 5927581 6256059 9046546 7864548 5165008 5444617 5886635 6685829 8205192 2743192 2325150 1852285 2142324 1725192 2457040 2558858 2238458 2614991 2201845 2691656 2375024 3030339 2669062 4055039 3041865 4357924 4377974 3366640 3458984 3517335 4259477 2694558 3520340 4441564 3733792 6512368 5208484 3414801 4851056 5170555 4875846 4285873 4393837 4416838 4405963 4319569 4442969 4413658 4315812 4406094 4359085 4557000 4470656 4463406 4548136 4336882 4348558 Leu-Leu 22090 35206 22134 30867 27116 33601 30675 58163 83063 81359 31871 95967 101556 324160 846936 111670 39455 59027 56192 7145 39275 36266 46570 40484 78752 35309 227090 56079 150668 78307 85754 334763 61842 73918 41346 43862 28032 28746 45549 44204 235364 278301 112994 521883 27140 87256 473979 83777 35500 6500 32435 12896 16212 9515 35647 32059 39531 328088 243189 2383 10803 50252 75923 82016 36424 54354 47443 58495 56345 27709 51450 31757 84807 369416 689095 131048 92288 49367 163859 58251 53681 63074 54191 35723 52794 48004 50750 81291 206833 490660 358864 35066 93467 107612 40077 91282 26133 36739 89938 65627 47653 53860 44436 49522 53917 505023 87129 111469 16471 41332 458758 41577 14810 39855 17793 2584 8932 10954 4793 28891 132993 35606 459495 50885 245648 156070 104297 83454 26198 58041 58403 35276 65260 54464 43436 21820 500268 108847 501051 82745 186331 199875 97008 35746 17613 43760 36098 25436 30086 51010 47742 376606 16717 102365 49286 39082 338744 57425 61007 10732 11793 11961 11258 12949 11911 12727 11656 9795 10405 10918 10128 12658 11983 11354 10855 Lidocaine 18550 17676 42464 25106 31628 66140 44536 46066 393802 46719 33309 483308 36476 540260 270659 310373 34313 40624 17992 29714 3924 84244 72644 51098 161699 26895 306653 1108120 48632 177903 481765 647611 26184 39058 42313 20251 77777 12662 57713 53427 113353 404690 45552 223517 49942 409418 710191 60637 55687 15859 28605 3145 36730 52509 19643 11045 234614 439266 184354 79286 11810 42285 1273369 466261 35009 13973 23712 3320 36923 33023 434159 13337 11746 360563 395292 748495 437459 34860 14617 46884 46935 84469 46470 11258 43300 39788 30641 28342 22381 450536 507772 396316 9344 102919 43930 581341 33168 62071 67080 20757 3910 54938 50332 62283 36888 465790 20553 358830 344599 149377 1079958 99097 27301 61304 7500 8697 16134 23285 20833 61763 106268 115201 545810 482859 553431 444715 11486 21499 23928 37975 6441 44827 5825 17892 56969 25937 291832 12745 265600 382728 343479 26897 551395 44412 10640 47164 17835 38258 26345 43214 52894 577990 57128 39119 477658 342617 603863 259545 6714 207732 278858 280004 294166 317090 295329 286983 235290 306227 322559 309459 332065 316156 314559 349175 326910 Lys-Ala 95296 55658 78377 50571 56358 97591 94593 41903 105844 134734 75456 139119 178778 101026 219513 109947 67618 41369 77832 86087 80453 64031 50331 61552 138119 53634 73247 84579 110331 150636 93562 94455 81441 65938 51557 59596 85467 44389 102783 81615 305093 91221 111725 180249 73852 188168 192362 100227 63756 53186 27484 55097 60993 45811 65608 88242 119807 124751 96879 90342 64531 116725 139081 95234 77545 74199 70775 69950 42776 80068 85174 47035 109713 155130 134262 143175 145637 90201 121459 138639 194567 208596 151647 165039 76831 194947 114159 225747 211274 211282 194645 166800 203961 174637 194841 219497 46368 91949 149650 116418 90004 116896 107656 73513 101990 165212 153910 152887 132578 151751 132167 160274 93952 120009 47687 94801 70717 84789 84631 126991 292055 124287 171899 63963 199494 112281 151256 171103 131900 112509 152858 106300 146361 84588 118241 125973 135393 181247 148601 220845 122405 220803 159497 163063 125629 67456 116411 134213 129714 67096 94373 136260 112393 205868 183088 135902 170031 182682 142939 91893 87889 92005 86481 91193 87233 90309 89883 86383 90389 89461 93037 83179 88964 85452 91572 Lys-Gln 100 315 100 100 100 2031 3309 2741 100 5140 100 6735 6241 1833 45118 100 3918 2631 4988 5321 2206 4831 100 3769 49811 3615 22940 14243 36586 48291 1307 34666 1383 100 100 332 3566 100 3074 100 49610 5078 11496 20818 847 3152 34326 100 2746 100 100 100 3505 2438 100 3171 8180 42821 34923 2836 100 12002 20438 100 4202 9644 6925 100 2814 11791 3814 100 13190 45608 48270 10115 22780 111 8193 1620 12604 6654 6695 3225 6729 12807 8976 7359 116497 42855 42447 3410 10390 24797 14805 6895 52 3190 30566 19906 901 26705 15601 355 8950 31958 16438 20852 9889 15540 65072 17445 2860 4861 100 4029 3762 3409 100 10340 39727 17223 62219 2807 20794 10896 4201 4597 29652 3453 4801 41610 12673 37873 16894 11925 26906 19498 37527 2214 32836 55381 4677 19772 100 21670 3785 3524 4789 100 100 34475 3787 27645 14464 100 25319 6301 3532 100 100 100 100 2 100 1 100 100 100 100 100 100 1 100 100 Lys-Glu 36554 55522 17630 16511 5856 55145 32024 38410 18858 33004 33205 70199 28916 20581 45190 46842 21800 34002 22436 26486 54306 12549 32566 26086 54121 35638 33487 29668 20479 46470 23691 24720 37355 31583 35525 23983 26170 39033 25420 20024 77402 24416 26373 31050 30189 79709 30724 48276 55427 34424 6235 13809 23839 44524 32053 20097 102735 41225 44695 97266 27465 45547 43315 8343 36880 25946 21920 16142 43899 50089 27115 24712 12802 27808 41701 67945 59094 28776 22286 69447 40574 51051 18385 5718 27058 15818 15132 19654 36216 28167 18279 34650 58499 29125 27159 20285 30019 47984 35439 47659 13072 38732 36201 8897 38689 22266 20257 37453 39164 34371 37172 48368 38521 40709 22629 22979 14636 27916 32365 29307 98898 88251 36238 50662 31631 33564 35303 15939 28595 11155 16344 24229 39541 35221 28268 23458 19737 18560 23048 21199 98337 32220 33756 43016 24757 30209 23603 14621 43390 6442 22777 22388 27187 29590 31669 27633 30272 44965 13640 4364 10276 10629 8360 9314 11281 11263 11451 10469 10948 9647 10592 9547 7963 10616 8983 Lys-Ile 2244 3568 2318 2725 26680 2861 29562 4697 19542 51829 5829 40630 40325 196449 1832867 104727 100 26109 25702 100 16814 6574 12481 11098 186381 11057 59439 40133 83622 43938 45970 138645 9037 5962 2374 11534 43580 5055 47256 21556 122378 461244 45139 1190925 9157 41452 326305 39390 3044 9600 20169 12238 31968 4173 100 34828 97508 429067 153272 2110 9751 25693 30454 44151 7304 15038 4968 28135 3418 4037 50543 1748 43350 59708 229339 45517 28164 25172 147965 7169 14237 13200 8306 11692 13346 17618 19056 41118 112157 160561 124673 44403 51076 42826 4560 42419 2359 7666 19827 6248 3153 21466 2466 8425 17087 113510 26348 43660 20390 11868 132507 100 2946 5761 100 100 13854 11855 100 2791 54579 13568 344328 10360 196265 92414 33418 31804 3366 10123 21326 12216 8887 7181 3087 100 95692 41364 58209 18374 45661 94488 13566 9263 2138 3717 5380 2881 3521 1681 1905 65866 3622 42388 32788 4642 148808 14759 16704 3193 100 8606 7729 6582 7012 5844 3578 100 8023 100 7089 6307 100 9697 3331 Lysine 12646419 10760685 12440641 9731580 8203782 14377935 15192005 11302976 11195982 15781349 11372235 15706179 14174596 10284592 9679225 10456292 13018917 8856849 13846153 10570245 11207402 10865088 7858455 12681615 14108231 12286774 11655048 11307667 11223805 11480500 9198872 9993146 13730208 9681958 9339951 13254325 11842244 12426582 14027098 14405587 16764641 10436373 16280202 11958825 14335435 13413780 12602811 13136062 11605810 11652771 8218428 13324338 12911337 12445851 12660940 12099221 16416936 11036521 12358279 15264057 12544711 15396175 16025281 11071254 18248975 12939602 15610855 11957684 15689809 15603983 16580561 10912183 14966525 14182716 14237004 18390586 19468399 14220198 15207610 17599538 12041101 14566411 14270112 11289385 11056806 13868177 13576667 13388591 17416803 10449984 12565147 29379712 12781687 17058940 11094711 13226960 12271927 16181288 21761003 17090721 11417601 16815312 11486548 9630138 14326781 11292207 13241171 15656999 16151709 17353367 15038090 18931609 13229160 14079237 8152045 7899341 10271617 12960720 8275642 12173391 14545282 13635080 9432112 12269874 9923016 8512285 10337464 14730293 15354909 14792663 15260235 17901401 15623312 15898012 14066546 12208077 11123001 14202249 14230252 16665990 20438069 17859696 17469160 16271956 15957821 13887957 14160485 12645751 13061480 8061536 16125490 13434250 12856509 18371368 15282004 14030418 13762147 15216758 15503881 9466162 9674032 9604735 9747172 9762348 9584968 9601261 9870366 9702520 9773747 9789907 9662791 9973899 9525280 9526388 9676219 Malonyl-carnitine 352888 275507 225280 218141 184553 388813 343310 326298 195270 480803 316697 386047 412689 302232 197718 166339 704889 737193 769850 735139 756795 687421 695344 771534 555206 699190 757251 816428 810683 755862 666421 629955 131682 313064 247721 225519 225902 381298 228232 231767 239722 198517 391897 334227 216992 236673 260174 194738 267003 270767 179087 216469 190550 252369 200011 186979 269767 252802 219923 239142 253149 370337 308387 197391 188990 241457 216627 156672 190301 263785 197262 129355 177548 283121 160554 177509 229003 186094 161357 307991 551900 673611 422352 499006 676554 451868 347523 512599 405485 344328 439552 342730 340384 419466 397359 375506 317874 177205 407132 298690 207733 265246 303711 363281 259009 228684 227107 265643 327606 345025 235964 191171 157251 212176 108342 125904 135278 225971 147556 206735 216315 250257 235167 185897 145078 208214 211799 538434 351307 361786 413559 305407 390240 394528 254971 338877 261726 285985 323578 441714 293559 544086 285276 324290 338009 274265 280232 369107 356349 246898 245293 306063 310718 408323 288801 266603 287315 270477 269317 208365 203254 204208 214025 206894 210185 206618 208091 224474 207680 226068 199099 188592 214048 195621 231307 Methacholine cation 9608713 12493837 6741602 13782752 9122899 18825829 11434954 11496241 10983251 8425946 6770063 8206023 9885606 4760981 6256277 6935214 11191524 15100321 13508565 11752891 19380359 13081811 14177101 12002279 9285203 6223521 7282984 23379895 8378150 9035879 10847997 5492602 8223347 18306251 12997895 8069636 6449812 9672523 11224809 8540619 6477945 3927172 7912779 5177423 5725024 10995685 7423960 4708462 15999379 7998438 8286314 10060670 7975595 12055165 14544496 9163574 6613113 5118413 4640089 7174224 5023888 7359103 10209169 12023572 11098596 11169388 7953663 10148958 12867935 17406535 8007487 8256988 5750169 6499678 4664383 15378092 10059595 5387332 5169691 7106954 21743530 29516630 12665277 16248287 22562108 17576824 12866662 18547466 11120228 8098875 8551367 21821461 8054315 10376809 7986759 12658736 11432873 6755596 13089383 14000037 9153564 7116877 11221797 17261497 5479293 4285090 5637573 8779485 7079880 7360221 5431882 12920465 11714452 11277093 7289526 8131970 7679577 13742342 11716152 11826796 10474777 6530713 10041131 11502370 4273717 6880790 6139376 16551806 13466902 11674451 13585422 9650962 17143650 15203957 15470131 6514427 5014080 7085753 6210193 11941816 6048139 10398606 13382419 15544192 9643091 12858449 10448742 13657859 13661256 8165328 9414910 6458498 6090902 8204503 18345537 8602815 5449055 7116580 6442091 8637475 8581253 8585331 8389691 8406025 8400857 8262017 8585398 8612641 8577742 8475090 8784145 8395264 8747994 8178367 8755736 Methionine 4125682 4587104 3930749 2922993 2037953 4935584 4741781 5645269 1733978 4863215 3495287 3885117 3563561 4480062 4144147 3788369 5479681 4995105 5790845 5688706 4567371 3872475 4948282 4225451 6010156 6174007 6137694 4684009 3680928 5313958 3035772 4870942 5556753 4378467 4382252 5840109 6202660 6211167 3892764 6544975 7007869 3400961 5374577 5882241 5041123 3615813 3595896 4266150 4472789 5169866 3825282 4188210 3553710 4482046 3024678 3582812 2493758 2977164 4812350 2556506 3327986 3045672 3449257 2615224 5225709 4959004 6840007 3731242 6747356 9271813 5599419 3949483 4993698 5664100 6267727 5119330 4870425 5332018 4199854 6146736 4727781 4685798 6655691 2735330 5413254 3788278 5724845 3962029 8351613 3294994 5628936 2728580 2626920 7215250 4213029 4072741 5024616 4809496 8462705 6369092 2893146 9388141 9456830 4519086 5803592 5898670 2709896 5593660 4602215 5233775 5136270 5188640 5078164 4369193 3453091 4026551 2554050 4359776 3469150 4313207 6351141 3797835 3090650 2839507 2396379 2022911 5604916 6054322 4255802 4862386 5085703 7893220 6437327 7334015 3776254 4370110 3218190 4476818 6220924 5774438 6408343 6047507 6072171 6347640 4292830 6570471 5705833 3749140 6211002 8604328 5914723 4935545 4364502 5190738 5240890 3810177 5245363 4586579 5592421 2168184 2077220 2056851 2028889 2186983 2066688 2076581 2043664 2099656 2164106 2007768 1999688 2177198 2101328 2167101 2185025 Methylhistamine 1096828 2281981 998142 2957554 1327546 1395966 943082 1907154 808604 2396053 2052981 984740 1996541 1183230 3901983 1132964 277826 454677 494873 255654 731017 387561 289252 331077 273166 705826 481926 411840 774866 288840 263669 658229 1630947 811128 846955 1202069 641681 964558 624832 495421 962618 719048 1324957 1045299 1520685 835156 1340084 371489 1461675 668850 857058 753873 549785 1203891 890845 647261 742732 1329249 1179296 831543 1110549 1170875 1205239 719364 2038211 3051583 1968381 1631794 4207820 3489079 1776910 1932585 2846845 674490 3411873 3103833 3685231 3741715 2693280 1925259 447698 282696 182294 300586 276039 239201 228574 426754 432076 243801 363645 263660 599677 272649 354386 270921 1202871 461456 816074 843201 582939 707563 1776170 1689044 1497826 1023770 775232 1729787 658843 1033887 608716 1062526 688969 1047616 3150194 1047202 320685 503414 531702 644439 1248397 549115 1153546 716337 878966 1116687 792700 593633 444802 396327 367301 352089 548728 508845 413932 1241508 368688 649596 981741 549252 314090 1487208 474986 1462468 824609 2517574 578281 1239638 1308968 706778 546592 1438467 1781575 2186095 1160437 956024 1504567 1305990 1161367 1381803 1329888 1376239 1350499 1318493 1346462 1355534 1343178 1343189 1325241 1348015 1378310 1375541 1369695 1347306 1312775 N,N-Dimethylarginine 1030776 1022701 1156144 807054 485037 1077867 1312593 1318432 932458 1590408 951356 1399622 1540812 1171400 1169754 757745 1162505 1908315 1613138 1640595 1757306 1354574 1454587 1112143 1930988 2000728 1875628 1944252 1884157 3126278 1364969 1371958 1189658 1033121 965585 869395 1114692 1421189 848566 1650662 1458529 1547770 2136083 1312988 1389759 1261600 1341881 1169660 1056700 1262567 615859 839705 815796 1110869 771376 667693 944248 919362 1049952 961338 914490 1407899 1372078 942819 883634 1591897 2225998 952342 1244915 1425847 814999 782084 962917 1140101 1033372 1421727 1415465 938901 1019383 1656363 1512765 1140253 851625 656499 1683149 904474 1637409 1041283 1391929 938902 1428127 995856 930432 1106614 1078624 1178971 2001871 704707 2271068 1277672 776978 2573504 1403547 1235189 1753178 844978 1020939 1449654 2299063 1796901 1635167 1823599 1916906 1058169 1275648 1245373 768431 1322751 1398358 1787364 2055324 1699090 1416877 1238113 1516435 1455971 1336820 1146856 826902 907173 897689 2317233 1135121 1467939 746594 834450 645339 907203 1417383 1748556 2686774 1964161 1175672 1637935 1770848 1485103 1213079 1141045 1645037 2582417 1515425 1614535 1356225 2435651 1646235 1020754 1790852 1194623 1228668 570503 582066 578712 581528 558590 593923 606582 587822 566998 583739 586496 601016 584835 582525 575221 589521 N.alpha.-Acetyl-lysine 137034 139914 98484 179839 81682 210616 166949 169396 125071 162019 199024 185235 175188 165837 150764 147713 173735 206182 186264 164845 250622 148094 219579 172236 184018 227000 190574 191501 149897 170992 188109 210247 145259 221601 178986 134647 148654 190844 168464 170788 205699 98771 147625 164091 171889 142477 167569 141540 180845 172839 71833 110878 137813 189625 185809 108613 141801 152477 144265 151551 129346 139245 170699 129011 140898 162594 110003 100703 163197 211989 120629 79542 134313 96289 134221 155030 161689 139332 107885 160149 103117 144113 96214 103662 116351 90861 88971 149215 125136 86123 126574 89709 79375 122561 92853 97082 98038 60236 147473 132707 69779 117866 156948 138230 126078 90024 63180 159626 113817 114002 88121 109035 233280 260529 204234 182607 182480 303781 257047 197055 290915 275146 273064 174340 215317 245646 277875 137212 75899 117576 110777 92365 135101 104431 105907 85874 96063 105743 96850 134044 313442 113563 87073 182428 99866 140268 129867 125192 160480 140811 99803 119526 121696 118101 151197 110233 127676 120163 135620 174119 180865 171358 172264 179631 181147 175145 177080 165070 183480 178054 168296 178556 174795 170487 167684 N.epsilon.-Methyl-lysine 1619281 1596229 1312953 1947990 1374617 2119568 1544528 1508426 1828036 2507348 1853848 2449749 2809697 2047755 1709454 1531462 2566820 2765811 2903817 3284832 2711767 3321041 2645390 2698130 3007969 2351633 2795180 4333197 3032826 3284864 3410507 2772588 1379468 1190046 1573158 1248036 1569413 1589089 1794400 1355122 1698187 1513204 1806760 1701817 1495997 1394204 1662964 1585896 1957391 1267544 873810 1250648 1349987 1643763 1392618 1248901 1532679 1717786 1250531 1655897 1333803 1658617 1835436 1397433 1665024 1779166 1400587 1609037 1638081 1938386 1668150 1547665 2027412 3094602 1750252 2167690 2534199 1566575 1754241 2176112 4986789 4436158 3426170 3643489 4007856 4000267 3054237 4321898 5003157 3791027 4127115 4625222 3824148 4468559 3512042 4749174 2248385 2174152 2798790 2442786 2172818 2603835 2971217 2199597 2476847 2398633 2847664 2707620 3115375 3048700 2513999 3100482 1001144 1423465 865437 917084 1003065 1110755 1167560 1366297 1454489 1454963 1626048 1194398 1271470 1405920 1508264 3794581 2853704 2686122 3552613 3501968 3430159 3355861 2651579 3134410 2832179 4086690 2715875 3968737 2997202 4083277 3392495 2448591 2954010 2513531 2497442 2531589 2488938 1312106 2072715 2415794 2379044 2803265 3282569 2787444 2544223 3046528 3245921 1788875 1625353 1660948 1644024 1632654 1669507 1657844 1677407 1676317 1666795 1663959 1699049 1647036 1613976 1703355 1609818 N8-Acetylspermidine 680661 363989 430895 454342 383056 699349 451943 518614 753928 1519847 535546 1260643 1405377 377838 1012246 847123 443657 506879 530200 691192 612937 505138 431819 478571 1327091 504958 779253 1619531 1267563 1206421 1040167 634749 418219 363641 315268 278347 362533 407622 375515 270680 903209 339882 1200458 450216 544531 634058 569416 604551 641964 567564 343514 493974 478187 939268 544544 457095 1120798 624165 424710 1103666 733568 1284184 1022486 884221 389983 295239 318630 371788 598803 550904 375005 430470 896490 919806 572023 1120634 1233287 667406 711009 1057395 890451 812541 429777 605215 774461 471205 588456 581685 1353737 890832 849785 1217146 1160044 1078602 691473 1254657 326316 237873 283413 465960 329333 293424 428264 479183 475907 506108 786200 670454 711268 760901 423569 782800 606480 609981 522707 988940 368064 696099 822096 658091 3880968 1710747 1902148 1139797 1066916 1842906 1853438 514369 508821 540858 678566 530961 784823 681267 590309 782994 636260 1196980 729549 1206729 707345 1514372 1032235 465485 280274 492497 269943 379295 347547 223514 343761 477630 500155 945426 901014 686344 430387 738960 671403 443169 411172 430172 414367 424896 428306 427620 428591 419000 421551 427499 448289 425795 447777 422425 414129 N-Acetylaspartylglutamic acid 3198157 7568549 4368096 7723737 6429833 6326457 3631332 5680189 1761427 3065608 4030062 3107808 3268574 1895831 8173363 3571797 9373258 12063714 10930307 16529984 13862066 11385293 9808180 11137615 7062056 9615825 10916990 12700533 7949644 8286799 9494333 8997819 8777134 2941547 4004927 5325606 4266033 3902907 4957987 3069418 4181527 2367688 3169780 3086952 4480443 4237538 3718956 3184855 7793507 4498650 3149486 4304180 3186362 5923908 5638150 3101899 3122433 2970610 4452818 3585478 3581485 3440491 3965926 3305843 10522549 12927423 11086550 7671359 13078871 15607049 9680849 8244571 6589283 16942156 9515383 10540139 11576044 12324228 6569623 7818472 28260831 30907959 23184578 30135650 25783581 26762804 21405944 31636143 12079719 24700152 22295423 19050890 11402076 19855550 23583130 21264280 15412991 14228380 15796806 15870660 11116525 13114083 16077272 13778447 14176037 13342448 10868573 15061145 12910198 12682472 14471760 13009751 5736329 7205530 5793064 5035951 5399738 6391289 7491392 5420261 6451947 7140814 8311990 5805425 5597634 6765568 4975329 24507390 19490508 20204486 21212376 18065809 19932777 20952033 16627569 16163495 14586302 13250027 15731713 18154546 9811402 12514146 15308021 12491826 12914695 13549828 9881819 14579424 11940315 8362113 9062827 12512873 11450869 8843136 12595494 10911319 11193994 11831686 7661010 9908075 10034817 10088822 10071557 10320420 9761508 9990695 10095850 10197193 10213979 9996032 9856949 9914475 10189175 9967398 9659432 N-Acetyl-glucosamine 111852 124404 105039 125001 96565 154277 116941 111135 114736 123180 150613 106176 116026 75185 96917 115965 123673 110602 133460 124090 136231 141868 146751 116002 142837 117530 93846 185139 152299 145112 141813 107129 134958 120550 131740 122589 121136 108713 134429 93945 113841 58850 147386 81176 111970 113690 84972 121483 133884 116360 85189 111920 99094 133230 130969 104107 118375 93932 66007 131010 113393 131932 140346 110710 91194 146204 64014 100513 118947 130565 142179 114450 122596 85696 61281 124424 118866 110531 119088 105598 137766 136927 148705 158406 135938 138927 80631 148901 117951 129070 130622 115585 107372 140065 97414 135341 92145 90767 89867 125292 123066 68507 132381 145599 103541 104157 124829 140540 72110 138275 72910 120960 37899 160720 114845 121268 111587 144056 147841 103077 185198 147314 122075 108074 114014 94258 129397 165297 106236 100895 131845 35417 111141 124576 119577 130002 81585 128047 96916 126851 66983 109485 120110 88005 138338 104657 125940 112932 111423 65190 77255 66307 106482 109781 115773 115290 78836 122221 111108 155342 150917 146490 149590 146464 152846 142175 145751 148219 145941 143525 148631 134915 146535 148459 146725 N-Acetyl-lactosamine 193265 369400 155756 266792 103384 306983 233951 320366 149649 247259 349442 229123 313789 157308 310641 243600 136792 190560 173127 190120 272583 138576 183144 133698 150496 179618 239162 240989 173129 203639 192536 202896 277663 307812 204165 158886 207697 263992 153438 160006 231505 119792 228408 198390 180083 151640 169384 146672 291571 222675 96747 134871 126366 254328 220189 126779 172097 166321 217675 122283 175075 184292 241201 176792 203454 299386 221251 172768 301968 586517 195081 180881 230155 225132 258315 246855 231392 259397 188955 284271 727994 621700 344438 325252 538570 385142 346868 488595 702149 580707 477911 462746 531565 473507 504559 497532 227405 100266 272677 260802 99612 245556 366758 245969 266694 200930 180359 255792 202944 200776 224769 202910 315424 468732 242731 315484 238348 375336 416980 373781 591039 387263 419744 279358 381239 432082 535956 334308 183162 181576 221256 287609 326060 271268 195657 193433 210707 291812 241136 395780 177005 416668 310164 243937 102048 204579 182132 135344 218575 195263 143973 231448 154530 298712 266027 178442 220154 215892 222449 313089 314169 297821 304429 312528 291713 309319 306795 304515 301223 306952 296412 289377 293506 305293 312266 N-Acetylmethionine 116411 187543 131573 219930 64765 265783 139789 315226 28543 264410 167056 114870 162860 127772 399789 187516 194406 292479 173341 179039 314006 148726 275011 143158 263747 259454 213987 230133 156764 397685 208185 271502 267454 350346 293512 212403 249923 258727 146713 220287 545938 127064 221750 448447 201198 181893 218048 104111 380331 200056 148356 180955 166067 323653 253995 250693 202395 321320 189210 185172 189190 183569 271367 154639 174571 274801 198141 145052 328454 347413 188591 189831 207755 103724 283771 171840 226556 261869 179719 254439 221351 280526 244084 99110 204854 160278 201901 160340 274960 180988 172630 98019 162558 155497 171489 125406 188810 147190 303155 293024 158043 274781 314109 273770 240103 237983 129773 201078 172838 236665 187169 142535 147026 187274 177775 200544 152318 277780 157562 187953 350753 211796 357136 113109 312072 139334 227947 257827 101707 195657 119199 221070 260776 277787 185539 170394 146471 178097 106319 236258 129208 274245 77599 217728 127248 186628 204888 107857 214617 362146 179140 129772 147499 255705 168741 137802 291486 176754 220342 81917 81039 90871 80449 88299 85988 81594 83708 82147 85435 78642 80721 84044 85764 86316 89582 N-Cyclohexylformamide 173388 251901 143871 201712 171588 212009 174519 270530 164168 213376 171789 147085 135140 198212 214899 188497 182686 132353 170820 222772 251418 193736 257167 159900 145294 146958 175339 204580 249740 133202 193603 182302 170339 257387 190799 138454 221772 131830 193476 216628 127911 225395 126595 170368 147343 227703 156560 159651 262050 280299 275019 173739 153230 207808 244434 245596 197199 183747 225843 184862 158388 130596 260684 198763 172769 179780 207250 187228 148907 242572 154054 347217 120378 216496 175419 162949 237399 195084 133188 161745 209905 190830 209555 132379 245828 191642 167479 112806 167600 201596 189431 157494 143653 130317 135566 208522 163936 210735 153349 217098 183172 230143 229467 200267 149562 173579 143836 212915 178322 158064 232029 189320 158239 140238 181554 246172 281059 226944 261286 147441 142355 164242 181706 410255 156940 206133 126769 132098 187957 238195 177385 148296 117698 124967 256062 189492 218842 159145 206411 187707 97305 111288 155427 202374 253289 147458 181970 256538 224118 228953 150444 225397 162093 116286 152175 284307 202424 139470 156842 589534 635205 602270 620595 610298 602700 596998 632441 600891 577777 628950 646453 623854 634839 585062 602389 Neoabietic acid 5641 164611 67103 11121 198797 28835 33700 49945 46553 26373 27949 54792 22674 129741 21431 68326 78236 32981 28314 10405 257905 69510 27252 275289 46085 15841 54060 173050 102925 15915 291704 60618 71980 140823 64710 216797 11628 63689 20932 92172 28907 39902 8866 26087 146437 64657 41833 98116 45367 66900 114688 114643 21695 26579 22135 192094 18786 55404 106140 45102 230449 124381 270414 28370 39353 16499 147809 19700 116099 23871 40870 287446 50236 48201 246603 259354 38793 31072 137584 17497 21202 48431 7842 152015 380683 55043 36997 207518 50797 117036 120872 399482 23275 38855 51632 62265 146778 26149 6066 25802 213882 4302 11436 44431 104711 18759 14451 163555 19295 29158 231207 21867 52751 198952 29262 98910 20983 40640 48311 5693 52095 157358 104677 33657 39380 17362 35170 289375 260730 17817 15814 69896 40748 62450 159821 19569 100862 48131 40082 8450 53859 65593 12596 244644 26896 80693 23330 37481 26197 22615 34214 607685 23161 145795 76326 163265 53280 227472 162273 18774 32841 39960 24102 25179 8796 25965 22491 16873 39499 43223 44384 23599 24268 35982 35733 Nicotinamide 271353658 317299316 267437519 243481463 220111962 330051165 264545315 352830656 221751697 366353840 345898546 296748217 308700224 255517773 298733991 260535778 313780648 343306486 255563025 271916868 300854523 254906609 315979546 284453591 317876762 292791494 290482589 359725355 240237187 388584720 227824246 248286258 301978008 337673061 353977284 284455556 277560239 321674412 233124874 264170921 325373492 219824966 352430688 279845249 278584678 272873884 256543731 246770919 322288932 273081189 242996550 307707422 263645176 337156638 311716386 250468664 270600972 227145505 274472422 285384753 245780624 232904265 293929587 245539888 271645607 288033892 250458393 265238713 304908793 386287936 248530554 235930447 292236827 277665809 274073530 292253129 269245021 298805087 237885709 301809547 391409901 354381736 261720279 247315749 323290570 222274290 280850365 289269882 314750631 292837702 322425186 239463952 246700788 310332287 277005094 262589639 294375205 246571261 294924782 314849290 234208204 270041222 314931176 287876246 288172433 229922074 207142439 284905223 271543803 287454254 288665730 280482355 285680216 298766338 237639122 314113371 250261436 323222809 297425280 261892244 420919867 325704723 310455108 250298028 236177106 292218783 333619316 301218413 201934837 241973748 216131180 255604848 337544703 289539729 244687811 260526831 225131433 295907043 265885352 261484170 212954478 272591139 236046629 334978431 274273719 310169987 246481347 238911214 301896243 293298671 239077882 283468776 289560109 269721353 330732742 240032402 289280796 248624597 295118765 328175887 328202408 328754923 327052156 331236002 336244318 327526322 335623088 326082164 330136547 336711351 328655922 327218146 336217202 332256542 331819224 Nicotinamide riboside cation 250014 378571 337928 103120 165904 266774 241926 255244 109764 385783 314526 189205 222010 172363 218057 188491 82839 283255 209643 237732 282303 167483 248004 149548 227720 236651 215428 365188 210470 328449 184343 245478 371864 284455 296236 167680 317017 219511 404007 301364 430703 169803 394647 361813 192517 159580 224368 112718 192413 167136 78370 64346 114546 186211 148440 122086 179271 124815 194080 152912 121502 161971 178941 65643 110118 158907 124825 118541 119328 195436 145043 96230 134674 159620 160245 156952 109988 108697 106020 130001 195131 137424 151405 160409 141976 114857 154698 177272 203724 158959 197682 175934 77120 231609 165107 185644 154381 133252 284638 222864 116236 153565 247185 188653 198869 151181 135553 200477 93398 199278 218891 158617 229845 288029 288514 156843 173371 244249 236184 272139 396633 137876 356970 105413 269775 239636 329732 103091 85240 88977 112303 79769 194878 155772 130708 89270 164598 159139 161332 165076 267249 205129 158867 231888 169401 151674 200506 166508 257748 219600 145313 271711 158903 193114 230241 125180 302644 194648 217343 186187 188838 191431 179417 189437 179860 188388 184174 197114 190388 189755 189731 188975 189426 191205 194611 Nicotine 978837 275694 232709 644647 869226 699489 710280 456245 984891 583118 816932 554525 955065 887491 750562 916015 845913 699727 1012463 564244 691334 343116 758838 1102121 492701 516523 236930 286640 600686 625540 970082 699162 349732 372137 397256 983251 589659 894459 1153194 1197853 777199 434277 456651 891017 663731 8193309 911310 723560 792978 362333 951409 612251 742275 551755 403197 201119 527208 704334 834375 743166 864424 464028 844009 368315 402516 928184 617977 817686 715590 318037 285177 335196 715241 1036615 852690 947651 811983 459123 349926 405970 794320 857851 663136 981324 967851 1097635 863832 912610 770232 1054501 883282 863982 754838 433635 208091 729419 354811 491874 418724 718673 728797 365594 878464 353048 405807 954689 526990 983996 787138 433983 870373 651067 1322674 400838 870292 194697 664855 330112 789654 323821 938098 215415 460303 9628810 392562 872856 986339 1000875 314128 890991 859050 511055 12277 770331 953690 358170 570675 568989 937802 348057 442405 398728 914022 467243 854192 409443 733716 1142189 902099 785843 1052475 488056 227433 921548 428965 461010 288157 398906 335760 524468 427411 1450728 1835674 1446157 1414328 913811 1078452 1482925 1501290 810216 1289415 1356225 715725 815969 610937 N-Methylalanine 418615 552479 372539 284913 194207 485886 322534 599354 251357 454074 531489 372037 618361 405350 483552 250790 248859 590778 172717 341205 798371 184224 407249 319797 139992 456275 268592 324100 249096 173535 256289 352279 328383 734131 674023 225413 482992 565866 255099 565131 326777 176834 232699 381078 363178 195010 255741 242935 599477 620062 152035 169729 271214 435173 506048 467229 180103 325551 218375 158200 279879 184709 226808 183038 236764 220227 225981 195930 576223 638680 356509 358664 281186 194396 302965 287697 269138 488601 346413 205484 674243 813054 304790 244344 500469 222997 176203 462193 290423 430957 311406 259643 312936 535147 449478 372700 292124 320278 273943 493665 166377 200695 600296 181320 386941 278233 220781 308533 84531 139215 166997 184536 179347 486436 475581 337094 309596 570884 350840 185129 454047 131070 346143 176781 225232 206725 460344 239674 185334 270117 241285 146545 540173 379659 316030 293137 311084 347557 163891 245993 129914 434951 311063 631530 72267 307854 233618 172553 476595 161139 309577 234450 333186 350678 286092 201714 353026 327832 311802 198295 204289 190887 189111 186486 191271 189161 189896 183363 189322 194570 198258 181764 200932 210609 202484 N-Methylanthranilic acid 70363 52390 40092 59956 52917 50848 67483 53429 57875 53516 52833 57869 51380 60549 53955 55629 96448 59666 69037 55540 50475 67603 48358 93584 63187 50295 58488 59041 40002 53490 60262 49211 53546 63702 37670 71385 44277 47604 42810 61602 47864 53978 45473 60172 50793 63716 82546 57221 41715 48199 65097 66061 62569 55455 51627 53268 55879 65371 52737 48605 33632 38249 68929 45393 40633 56052 66316 67321 33221 44524 51625 64038 52861 54120 55400 55903 56204 51377 46208 53933 65257 55612 82973 76587 52584 73487 66185 56927 35024 63591 68496 48414 42730 48570 44063 59593 41726 42952 63199 49123 64500 56874 38426 44942 50474 40628 34538 48712 58284 56064 60140 52584 66884 38162 43743 55046 63245 28294 62223 50722 60682 63198 63736 42263 65158 41064 42314 62875 68831 55129 62015 68477 42928 57930 63686 44537 36407 44190 67075 59159 22523 38197 48098 61247 57332 42484 52865 76275 52315 58020 58994 62675 59311 51148 49950 43908 60814 51802 41640 43061 45528 31891 49314 49921 37660 39806 42946 44581 44664 37573 47920 44603 33220 47511 37201 N-Methylglutamic acid 1612134 2140898 1351542 2133759 1305511 1967323 1583064 1032690 934538 1503887 1728060 1221925 1707413 900346 1973474 1693663 3386945 2470934 3249390 2653385 5252858 3447263 3169298 3202583 2749680 3511471 3930479 4050892 3265482 3854303 2687448 3097861 3529041 2813263 2589417 4288363 2590389 1866006 4163341 2919590 2064499 1121802 2808570 2264488 3529684 2226486 1644793 1578049 2707565 1659349 1299889 1567946 1281525 968259 3473979 1433864 1194506 1016888 1725447 1021018 1621247 1955927 1653286 1094913 2348230 2531003 1658552 1671758 1590457 4477732 1970845 1426611 1746939 690633 2127436 2561813 1973018 2647855 1327026 1818239 1532272 2199867 1567409 1272052 983903 1581106 939851 1323198 1123498 1217239 1337649 1339638 1181606 1083554 1455858 1167079 609377 1658899 2152115 1663604 1418879 1378804 1647134 1819849 1556329 1090426 1140860 1377225 1346763 1159401 1258989 1671528 1839249 2481670 877465 1358479 2036239 2532973 2376983 2212170 2960721 1445689 1822092 1363362 1435544 2048900 3447145 1282693 996225 968007 1094571 740578 903160 484248 1081616 1130153 881503 669572 755275 1067787 484616 896586 692865 1503750 1539916 581474 1228973 1528106 1182514 1144061 1268600 1022462 1195517 1535309 1157936 926217 1229075 877184 974624 972189 949408 885181 915051 901651 927718 889186 916082 905473 836836 894631 917363 832829 915095 949819 926396 N-Methylhistidine 341447 590767 974274 378358 318015 391881 367623 467905 549836 1722771 824380 609718 1055853 1497929 1808861 500659 311188 465678 385912 1646360 319205 319741 495516 318386 497051 713791 2134952 1099270 879509 623685 465008 1519579 380232 416826 525147 367091 1587688 546827 380380 323142 875770 999749 1064727 2015214 787878 669252 789178 427953 614698 1304599 302082 320260 273816 458807 288788 282187 485843 1291569 1652716 537228 608067 795996 637095 582910 313730 417216 993151 268703 444799 397568 280105 333741 1068137 1036168 1375073 735614 544817 636096 622931 611387 611780 328759 362530 301504 429483 300220 946536 359197 1219456 1109272 1459673 543859 467880 572433 572471 452532 357176 249008 316238 289759 286420 1033149 610850 330589 631031 1130612 520304 584919 425525 456366 1245946 546385 376458 414895 354601 1202597 322972 354461 510390 343258 979944 682369 1151432 711991 1430942 1794126 1229378 378415 229331 272007 242317 821332 394045 364464 221408 482220 785199 810277 994020 386061 313576 758197 495502 315447 263112 416492 370368 270730 482917 1169055 271765 1282561 590971 868431 804092 383113 1207267 409341 1112269 323586 316500 314505 306865 319039 309913 314158 310358 305594 316599 322927 318592 310018 312838 313854 306563 N-Methylvaline 2557969 2985188 3406398 2190858 995598 3223143 2663785 3280665 10770982 3543432 2470337 3656731 2912543 3044741 3262513 1995587 4307289 3561482 4930001 3151921 2948034 2877691 3007486 3463597 6347994 5031946 4589055 4449213 2763773 6011780 3082501 3937725 4389129 4672690 3400992 4391193 3297144 3868252 3024513 4177952 5242462 4101916 5080073 3717080 4774215 3330967 3378505 3425278 3355796 3373623 2464229 3173204 2828008 3030747 2278328 1856147 2891136 2991763 3398548 2947914 3242896 2721578 4223561 2198082 4969771 5971298 9235259 4590002 7363501 7476709 4946388 4014046 4314651 5728415 6368375 8172910 7886592 5164718 4741575 5947272 4115621 3859880 4139490 1519794 4074176 2706792 6516712 3090862 9106717 3504801 5011339 3476142 3620559 6139938 3435558 4112059 4053287 4648459 9337209 7186213 3579625 11923559 6298205 4430485 6770115 4708097 2975270 6248622 7887960 5794970 6932880 7171585 5542910 2883717 2261846 2548133 1873596 3162191 2339268 4142851 4444328 3850964 2990181 3598720 2441873 3411033 2506189 4817244 3337513 5309325 3473651 9700156 7983019 7210241 3945178 3620581 4279112 4042305 6140714 6707412 10297087 6100930 7487156 5953199 3879439 6131969 4177696 2902731 5923440 9070885 4904421 4933915 3489748 4844281 5291137 4456585 4066532 5522814 3976941 2876644 2697260 2691987 2702534 2525860 2661779 2612811 2639542 2713010 2679440 2599862 2696033 2790698 2676508 2657261 2651606 n-Octadecylamine 1957 3056 80863 14711 10733 5002 6976 2195 6549 100 100 7444 1705 8451 3035 4575 4252 13918 24538 2056 100 1570 26818 40037 3194 100 2026557 3976 11451 5619 10952 30190 12237 6604 100 26680 100 5956 3923 25311 100 175865 100 16478 11153 4179 12701 100 13125 5628 15297 5301 17838 1427 4728 2398 8036 2884 52056 9426 100 3840 26652 3798 100 22915 3098 10451 100 5011 26067 100 11161 88907 2914 62334 27788 28555 7471 3233 100 70265 55081 29006 7755 27918 9767 19426 7403 2279 27612 58450 14315 31371 3640 20479 100 23979 21860 100 2069 20306 8621 42635 50285 5426 3229 8373 11778 1548 23723 100 1755 6321 68942 53960 19835 3048 100 10802 14820 100 21496 21136 17868 48503 9315 2595 100 24055 120587 24554 4353 22911 36962 2849 12034 6389 9323 4160 6106 11772 3696 4810 8173 3669 26296 40393 7938 1630 56111 12383 10385 6784 100 7386 14567 21209 100 6845 14512 5447 7257 11101 7426 9695 9733 10435 7623 3689 7653 9068 11001 13049 11898 N-omega-Acetylhistamine 12772 6911 14953 11448 3751 15769 9626 21344 6297 8110 8542 5769 11369 5817 6334 6517 36778 31762 19480 22000 15632 13907 12710 35753 3378 20068 9586 6395 2053 7331 1936 4815 9415 7463 6189 6156 9811 7393 1498 9610 5198 2790 4490 2896 12588 3953 4803 7593 4299 9824 7239 11604 16231 16161 3342 8708 11988 5906 3720 3929 12980 7946 5955 8250 11752 11527 12809 12632 18526 20466 9808 5329 8009 6539 1497 8763 5543 18613 1577 7211 12474 9478 15880 11157 10763 20332 17063 13027 7738 3919 4459 3576 8042 6371 4822 4984 26762 8299 16475 8848 10058 13278 4109 18917 14381 4931 5247 5480 3228 7624 2882 3497 2296 10218 5624 11231 4457 10422 8711 6365 2614 6917 3764 6056 4051 5719 3438 10043 12625 9905 12918 12476 5772 23287 8930 9878 3176 5303 2510 7720 7787917 2876 8036 7724 11513 10914 10188 23611 7041 16614 10098 5084 8978 4722 8425 11024 7220 5653 11529 18877 11799 12485 12013 14339 10966 13351 11443 11048 10354 12035 14175 8776 10912 17213 9818 N-alpha-Acetyl-ornithine 388143 710742 294493 571430 241209 572022 516287 842549 541574 941111 557853 704214 774946 583622 759825 806531 431101 752758 439518 326465 575503 320563 547474 349827 500783 494401 678189 655337 527923 474510 574622 687936 510395 517428 580433 513388 359751 859465 379510 433128 781132 409550 686079 637260 571983 578644 541291 491726 662931 312525 272549 430275 363812 809311 403476 402868 551119 611192 626155 665952 462456 548697 819542 563267 483732 621028 300640 336552 810353 722566 379495 424099 747987 371045 808891 717275 901403 531608 483036 665038 490125 451677 321097 303219 657307 328068 234571 549890 659891 513171 569318 448276 415660 599089 376025 574383 523489 298974 388623 397290 301642 269631 516408 409779 437351 542554 394306 642548 405279 586641 414918 506638 557845 535706 632213 325135 434518 497786 662891 345794 971680 659689 807269 518868 628888 614679 662946 431343 287274 287752 313889 230655 437974 586823 281623 362613 453777 505132 376857 591925 11233635 502390 402540 422289 299659 689649 431444 302788 553915 310650 333644 469645 401181 596383 528995 528020 598735 483704 690259 758984 733837 713116 733524 717481 717042 707299 706264 681542 720627 691646 664142 697409 684040 710322 698806 N-alpha-Methyl-lysine 11519 3858 8017 20873 26904 7189 15214 5324 13371 7360 10405 8326 8854 10987 7713 13858 7204 11559 9700 11527 7627 25273 11969 8838 9635 6751 7908 12713 12933 2338 6126 11959 6826 14187 8733 11224 2502 14505 15436 16272 9268 14765 3133 5383 5442 15150 10564 33823 15393 10517 11640 13858 13478 12209 16965 11478 25279 17723 8513 9771 12491 12382 14786 14944 13965 10996 10947 21293 8292 11901 6507 12935 4533 8104 8667 12179 7874 21982 6950 12334 10083 12190 19394 15450 10128 5671 19099 13630 5171 5949 3126 14766 4434 6016 10788 12778 10582 20190 8124 8587 7414 10343 8063 8362 7082 7655 22746 10662 11917 16201 5058 8432 10180 11749 16382 6575 14818 7571 12716 13244 8809 13150 2810 13251 5776 4180 10783 15350 8893 16548 14136 10603 7903 6514 30574 15132 8888 2876 6478 6597 1311 3426 11144 14627 12345 5359 24743 17177 7898 9651 18200 5784 10602 4920 8112 12386 4876 9386 7661 19437 18822 17798 21866 19051 19765 22810 20475 20958 19924 25793 15710 22081 20704 19383 23511 O,O-Diethyl phosphate 22740 11968 60579 9681 9380 27604 16448 25904 36617 29156 16489 33292 17487 35673 26115 9805 14908 15502 5252 35571 29920 22547 22902 27915 15013 34194 9820 11956 28035 10674 10356 30724 50443 5465 19487 23337 47815 15691 24008 17645 48795 18659 15460 11840 9384 37164 36778 27936 14917 36666 59381 30800 10140 35774 48662 22485 58873 23566 19341 26939 18533 22557 28898 7343 12852 45933 7972 34874 26091 29099 42248 18527 43844 23869 38407 18771 21397 21843 3284 13575 6455 7199 17620 10131 16652 13702 5037 55161 36261 18379 13185 29604 15930 18912 10073 18529 15930 5151 6403 15277 21358 71879 10978 13088 29925 21195 9860 14792 17946 12105 13377 19444 22461 10981 28611 15879 9311 10332 21939 31168 28436 10874 14197 72877 27380 12865 16926 11429 28671 13900 16730 14342 100 32393 32128 33880 17927 22039 26721 16306 7432 14133 19042 23153 15662 6420 30648 33011 22604 43520 46005 13046 8881 18640 13128 46387 45629 4636 12783 13706 22055 18571 17817 20163 19339 17105 17675 17664 15090 18250 14698 20416 17785 17670 17343 Oleamide isomer 50211 2631817 1082095 431647 5019159 5683157 3408129 5524929 1598449 3271754 4928233 3196715 2791015 2582248 1438810 2671900 606291 6049827 421707 3245417 4784143 6069585 3595518 158047 5326452 1974197 2071359 2358675 2313206 4396994 1740369 1582259 2451108 3970143 6006379 312489 6001360 3191729 630905 3602249 3138936 5134082 4534528 2105677 2454360 4831420 3347870 4463173 4047704 4103525 334313 247883 89705 3602418 4560948 3474957 1797962 4604368 2242092 4539717 1538157 4192310 1757570 6641188 3165132 614898 6172969 228684 2326316 3712462 4912634 2659023 3856704 1869671 4050827 2268463 1591967 2361447 5294715 5113647 2956084 4392415 860139 99963 5224365 838777 3376539 168181 3986794 1118104 1062090 2968213 1569603 3002178 5011782 2062708 5220548 3732845 934779 3549252 217480 4526839 5663307 6040924 3316417 3926130 2209832 1778465 3058702 5158699 2852468 3977319 418808 67380 1676088 1819512 383378 2699955 3745012 2598656 1778442 5060514 3271151 2389892 4010656 4891016 2039836 218067 5542886 402346 422873 5908141 11246573 2262170 3399677 4645360 3839385 4760169 1626271 1793654 1756257 6798568 3882718 3386960 380703 7055494 473074 819744 4452493 4653987 3455149 2600036 4983857 4600985 4184498 2065443 2307606 5119020 3829108 6164821 1367485 8238293 6917870 5988411 7422800 7942683 6977846 2420655 3149787 6780073 7085112 8408849 7699560 7690243 7784782 Oleoyl ethylamide 123249 56571 111075 252470 203386 127790 68398 71187 66940 48039 112027 45057 69511 64959 237320 131212 137559 114814 344936 55006 86218 191159 95347 125411 80242 90080 54207 61293 119035 76621 93971 94994 173709 85309 97902 49511 86040 117999 102674 72021 70083 80147 71385 136594 113680 141500 136856 137391 92938 108898 638190 89280 26035 74604 81027 118986 107007 123311 77476 91746 51829 54466 90521 261638 86325 77378 141371 701709 106319 79800 123039 77340 75112 41653 95872 85288 77185 109769 172002 98122 40190 97320 170027 166768 176163 159708 98679 176638 51611 96226 86283 63560 53635 254294 50453 147483 119014 38516 91064 81099 188155 98996 89565 144993 180252 72936 91677 129248 152752 66048 184910 79368 40768 10330 21529 149463 71738 355912 75085 96622 40135 119642 60316 149280 184885 146792 195340 102179 119551 260991 39942 69828 315685 47234 81706 113519 87692 85940 58429 182209 26489 122029 87118 49023 141355 249487 32381 137700 135510 97198 145218 83537 306246 104188 92102 93025 184409 210847 50277 142318 148500 128497 110229 104165 108543 121542 110843 65046 54974 88206 91186 83223 104800 111612 88294 o-Phosphocolamine 3137709 3090828 2881327 1577083 1901539 2883753 3512979 2867231 2540190 3742404 2762444 3009829 2973928 2561454 3041531 2187792 1197696 913972 1298504 1495990 756984 1120976 860247 1247556 1073076 1241370 1443359 1136797 1174572 1085075 897384 1045277 2867084 1695832 1999979 2675358 2102166 2044555 2606907 1861440 2641592 1758603 2571428 1694554 2625992 2196999 2157464 2130055 2078335 1612568 1592527 2071427 1744961 1864332 1737842 1542048 1936165 1727234 1676637 1771449 2045966 1780410 2049915 1604238 3075413 2745933 2677271 2375584 2588880 3255340 2350799 2141899 2166612 1694528 2298432 2727804 2777838 2518296 2001763 2569437 1810362 1536359 1189389 1255059 1711909 1420350 1513251 1547559 1754192 1557094 1494553 1224960 856092 1488204 1598117 1357631 2054325 1850654 2490396 2095736 1935278 2155930 1832507 1723389 2406955 1848067 1606257 1807305 2940322 2371132 2327170 2153300 2404404 2036744 1044039 1717350 1729272 1826204 1728121 2101613 1995973 2553668 2261278 2353174 1703977 2116594 2077530 1614287 2002053 1157566 1644965 1891915 1557934 1737017 1517192 1781819 1010049 1403441 1654382 1793096 1460891 1706723 1649245 1992647 2441487 2078481 1645525 2318569 1954643 1156812 1803288 2283257 2076662 2365230 1963692 1848129 1975655 1880666 1684972 1803803 1763519 1812096 1841411 1762971 1836386 1809066 1765354 1815038 1791435 1769134 1823380 1802379 1808105 1797475 1786808 Ornithine 250690 212798 379254 289693 210881 234003 266045 252849 275809 309890 272116 232893 264204 238206 214539 243212 282157 195055 276054 337049 329094 188789 246160 359524 145148 354141 459035 210150 262311 173252 218671 221293 205931 143326 176152 206672 199316 190232 220557 266731 220581 234001 257599 286174 326636 196013 241169 191072 271624 270808 175282 301968 300742 248009 206064 343788 227847 283484 264637 323030 293511 306354 496624 254409 287012 252249 273127 269611 285622 307613 172155 194356 201690 232099 253407 225736 362777 231657 187730 229590 248024 216121 286639 223947 250228 230699 289575 303681 202307 272498 297702 248428 427331 1095049 241804 225190 207933 243599 252863 214295 193334 286135 247254 140308 212755 175626 244699 201711 253059 252806 269884 178928 414410 420976 234336 352158 262697 280612 404357 398862 333958 300362 280158 1218172 367972 471785 413464 254887 186025 212737 151554 270572 279270 196145 224351 210821 204054 254882 234240 246145 2815343 237733 210379 238613 231265 321158 243667 182945 257458 131677 195946 199374 259973 289563 192695 315805 401128 160528 201393 282749 280325 282470 296886 290031 293076 283867 285041 290084 293755 286430 290255 303941 305209 286804 286692 Palmitamide isomer A 216096 1471127 1532882 267698 1361002 1413592 1108710 781734 1070983 1437141 1372679 1586688 1572376 1015578 516114 1116269 347185 1765265 399840 1471212 1314245 1277668 1055066 333315 1082649 1250631 752086 1906222 1716873 1573495 1050298 1228801 1995071 1195310 1224435 465361 1471278 1348120 231803 1784043 1871890 1127244 1417160 812905 1557320 2129486 1419086 1509107 1220689 1431585 97933 317100 371781 1312652 1660590 1969411 1521888 1201672 1301516 1615749 1718164 1659082 1351080 1374812 1430169 396729 1245387 71738 1538533 1963381 1721845 1069231 1518029 729710 1086874 1425959 1049656 995931 1333736 1737707 956775 1198231 698839 239478 858684 450601 1542697 468853 1590748 830918 537887 1422991 634186 1223371 1702200 1165486 1120661 1654290 1053492 1446826 132841 1562879 940106 1680382 1414849 1434983 1095694 1051623 1865546 1759159 1379338 1545323 258379 980098 987393 986404 319006 1478962 1425656 1165506 1474705 1628032 1979096 820407 1340056 1167364 1403809 739095 779938 203794 350803 1855897 2713145 1263383 1683418 1479725 1559737 1473365 545932 1010154 792754 1226512 1218545 1553901 255226 2018698 199758 468958 1198040 2097343 1829528 1192219 2626254 1805214 1376819 1085190 1534331 1355400 1477904 856100 750288 1096130 1092710 1057091 1060631 1089157 885213 963701 933118 1023394 1052924 924780 1029591 996198 1041224 Palmitamide isomer B 6650 25583 79411 6485 5350 189635 68206 5468 12507 2803 51911 11247 12523 48489 33381 39356 14164 18884 7180 152951 6113 4374 6580 3312 14084 62015 4200244 1821 5883 4269 8498 77109 7677 8138 105048 1616 3269367 2203 45064 3043 2909 20245 3135 8412 9814 32314 74969 3874 2372 4816 6189 2515 10313 24176 369763 23083 8042 27011 21995 3932 9088 2684 8334 10083 2235 6244 20042 6115 19063 52835 8197 2579 2076 28957 84906 9125 27737 4170 2581 10201 9772 19101 22371 33521 145840 24961 5166 30578 7049 32986 24522 4736 2182 5580 83661 14063 100 61142 2139 2222 4876 6752 145305 4038 7185 57302 19412 4949 13436 18442 73442 4123 13236 24573 60122 1858 143970 109315 5513 2457 2807 2213 58789 11157 41281 22348 10211 23174 2061 1682 5371 257934 7879 28780 8858 51901 45560 2999 20645 25893 2902 9961 13422 90244 7173 11676 12628 5270 139750 2238 12967 31827 4891 3046 3680 6401 48331 5255 2697 29561 28750 33737 33459 27959 26126 27281 27045 32461 28495 31031 34698 24466 32071 34091 34915 Palmitoyl ethanolamide 12158 19850 21879 78824 33959 45522 45756 57457 11091 44177 50618 16809 47319 55446 32326 100 156446 64248 87343 65295 32396 24712 43665 25412 16717 91120 133390 22378 46201 32178 50420 77267 37753 75539 52900 29491 68774 14397 37234 78849 66735 48121 24613 37882 30489 14489 32999 15602 28103 45063 13471 100 137945 17840 5820 54909 33042 49441 49506 12338 6138 39386 50964 24681 26960 53852 71839 15782 24978 75432 58509 29192 67671 110428 50940 32622 51717 39120 70282 58280 105110 139404 80283 28333 125090 39930 64656 46191 130095 65516 81950 44360 52993 66373 69795 15273 60683 17458 118920 80409 30750 71315 86023 57354 86183 52684 54034 130928 45291 55330 64614 85568 38057 81004 22693 8852 18312 73877 9860 29266 13276 5206 34890 30806 33377 38239 4666 63008 77742 51292 43095 68823 172981 98446 47161 50042 79527 63002 98588 76824 915436 147701 45873 120316 69988 91184 175770 55691 106606 104505 63816 108454 77810 125452 41493 47482 74150 100841 27738 23419 27071 31196 19959 28506 34119 31092 30145 21782 29429 32385 25387 28850 30418 30436 26209 Pantothenic acid 670188 1320790 664487 817094 410776 1339196 529729 1329818 285142 558638 389852 316104 475027 326031 722943 302930 1253795 2915460 1318855 2510511 2098836 1193979 2050620 983368 1031902 996700 1305378 1389318 532683 1651503 935122 1165871 703769 920112 815986 566510 686973 1060519 488490 417969 518893 243056 392127 435846 415678 374421 370742 201964 1046658 802490 320888 488333 362632 1209187 634690 301481 287231 343385 357060 332619 266189 208076 269908 287349 654398 1168864 1175345 579531 1749695 1881188 560780 722080 407864 447728 686658 657684 783027 466546 233246 500172 1301418 1074873 470879 432776 1207899 467530 717202 656081 567893 406392 436067 381217 189795 432274 365337 376055 770084 406175 772690 862226 371351 1235119 1238706 1041806 428475 352781 166486 543365 341843 447063 373450 397618 1936141 1470844 2373335 2493752 1182395 2746474 2883367 1709018 2751850 2320668 1881919 1097358 1613798 1883760 1527842 737357 377329 406132 470977 820869 711022 898747 476133 398322 297205 342304 419594 534271 208024 359802 314173 891330 476556 951163 449252 526718 920660 1039640 379126 433863 296818 336813 538243 347949 438311 335738 359575 609302 657350 655036 644680 657450 640763 642075 634625 624877 592070 639274 623777 630691 623399 648536 644516 Pantothenic acid isomer A 29444198 52093121 38405957 44059940 24948159 53659760 24183754 52880934 18218854 26302882 22456117 19599305 22556679 20796639 35894352 19115073 53091848 94047180 63162966 87851329 76514004 56272494 81214858 52551678 50450030 47713725 56730745 65623314 29088457 57363692 47883194 50697307 35548391 44340435 41783463 29533063 37358498 46865688 25576454 22908192 26698294 18894375 19277220 26072523 23563547 19012423 21062328 15099122 51461533 41323779 19998934 25777334 21410196 50238962 38868273 17877269 16015438 18225146 21658635 17784662 16080954 12210509 22162810 16543603 31997004 50791482 63441504 32176177 63918685 70620846 30055664 41491488 22439430 21706890 32799853 31479705 35506544 25435850 15198746 24914214 50676110 44543735 25487656 24471603 45895321 25153682 43159552 34835963 27981635 25065453 23947127 20727969 9593494 24490271 20302994 20123022 38720229 22406656 37474585 40968385 23115663 50749489 46983481 43347859 21379391 21727808 10890103 26646960 20551945 25090979 23675719 21252730 83282355 75934888 80404961 118838010 61441417 95423040 101863475 74108990 97275776 84207739 76887239 57148867 68656808 75542985 66222700 32393970 22447681 20636563 21269969 40470908 35309197 39575240 29654634 18464638 19332320 18077010 22087246 24090942 11023392 18345415 17273559 39086432 22569106 44055086 23817950 25413494 40700377 48640270 21893656 23955787 18590193 17333205 28076287 18928732 21483797 17844613 18958694 31071992 31657276 31885495 32137692 32140388 31688693 31872054 32078686 31639273 31869062 31965967 31998550 32820138 31899638 31711118 31062564 Pantothenic acid isomer B 223488 385746 207971 218367 133302 407907 171534 424361 96282 111340 120148 132216 136830 117339 203131 139993 405968 896153 292516 715600 595920 341533 637633 313703 303500 214595 424714 413743 156641 453439 300247 308727 223644 264969 265651 209218 205937 306334 163324 129113 164123 89991 116494 203671 115873 114973 116548 87585 230937 205459 122996 180010 139755 331840 229006 103282 117299 104160 127118 102641 84800 70008 127940 88842 221041 304034 360817 183807 449830 840554 201857 219451 124774 127286 188249 190787 260517 153075 102293 190128 273563 307438 214416 144869 373234 134841 247242 265367 198226 117625 136191 131466 44949 115294 102671 133874 275995 123642 218952 287350 112455 365456 422724 302133 127318 147653 53243 210620 99679 131797 104858 100015 658938 432221 538944 676834 355491 879236 927322 559836 950695 681208 479459 360613 524351 605725 485936 255874 145066 120009 161092 211629 170251 309021 169278 116834 104872 105960 164227 173828 75203 99205 93062 234851 135935 283386 163361 184108 206011 244871 148870 130140 95486 109210 186609 130186 136445 132060 128446 230301 227274 209310 210881 224298 222181 208786 225433 228251 225514 219949 216734 205733 224994 212586 225486 Phe-Arg 2897 12287 100 100 100 2898 6311 3405 30179 11332 4348 23898 21192 269272 228192 100 100 11958 100 3809 16260 100 9791 100 42656 6778 87492 100 114343 10102 23843 187620 14262 7490 6157 10023 100 5548 9242 2638 119396 193864 13768 210630 4838 5993 138526 19858 3442 2784 100 100 100 100 100 3301 3262 124721 55807 100 100 100 16525 100 2593 100 6640 3880 8412 100 7104 100 38322 1089537 173154 42732 11013 3319 49440 2570 5919 23469 6113 4857 16535 2046 46486 4143 187867 530109 700708 102532 163793 31266 18007 15099 100 5643 8854 16123 100 2197 9115 100 9391 445771 65354 28451 4865 7548 236107 4149 3686 6760 3123 7027 4543 100 100 100 8766 100 69955 6822 83082 16866 4621 4062 7271 12931 4876 9071 35138 32016 13344 10243 1090121 121143 927576 4281 95338 156113 77858 16085 4444 14337 100 100 7217 3241 4705 358131 6378 24473 16814 6446 148276 8055 14271 2031 100 100 3568 2203 100 2366 2342 100 2629 100 100 2995 2156 100 3264 Phe-Lys 17212 33952 8019 13744 100 24266 16102 17315 73063 107234 32458 107651 191931 155670 411735 48391 37990 96254 91878 45353 80433 83050 69290 52548 127221 79108 132375 11632 373501 11829 167328 288431 6438 69792 34826 14269 24862 45666 17650 10039 91029 252590 124481 395177 13700 65464 271080 104971 30246 9108 8225 7753 9401 16550 22591 6899 53268 210428 88387 2795 4887 87398 60225 23346 16808 35619 30503 13852 24436 7360 15939 20985 168742 358023 258125 62053 16216 16675 210147 100 125384 157556 86581 77507 110351 98550 141593 155182 710074 424228 336970 301752 290936 116010 94620 112588 12584 35643 55557 59416 19869 46628 36663 66366 58739 256246 224709 113324 58632 34504 227891 5996 14051 18888 100 12512 10722 20230 8197 17885 61541 7390 228220 27227 157176 65548 77215 131616 81573 151645 152958 154431 163221 113317 73629 57491 312126 288295 291135 38814 133224 443372 19478 91834 15019 73162 14285 17164 50277 37014 26593 158522 36584 200762 97475 27357 182143 61814 126612 9208 7662 10743 8589 11051 8698 5487 10263 8313 11982 12322 10622 7964 7030 11342 10279 Phencyclidine 619316 385848 749061 576290 332044 259093 367488 247476 412102 217888 233882 175846 278823 663026 423593 305317 335464 246254 520869 499322 361264 196170 327847 840311 163718 167637 311054 139427 211779 147231 246070 313185 544876 304176 264914 422270 234481 564383 402529 459454 219582 178902 227428 477601 330802 137596 269499 210108 397913 407447 522873 538495 860157 204632 631304 388640 273286 512680 385121 263019 366894 539097 184090 309014 642603 417126 482647 344722 221647 320612 485797 218556 333739 418267 525138 237713 174099 297855 193098 215299 300479 237198 398989 964705 295704 244137 320282 424693 188968 515992 380706 183935 191400 387653 249658 324465 191667 280228 476096 373797 434727 414981 380238 336881 321356 331107 377574 348854 216995 155081 368808 233707 273447 492670 391197 306965 980678 305752 234658 294577 264051 167478 404532 100575 792383 617881 253779 438580 527981 481456 321352 238731 381664 293671 345744 255840 405427 207561 407670 307750 98138 206363 452046 182836 306176 210108 430291 327172 442373 235215 294241 342636 199539 235340 214047 264339 438910 286632 206698 3355166 4818319 5297975 3332944 3003204 6105396 5835473 3376063 5838960 6175980 2271013 2441633 6117168 5645813 5206631 5436427 Phenethylamine 19743640 19441152 21794029 21679398 23309960 17657605 19055865 21859544 22258316 27132363 21896465 23288816 22166913 22598130 23677286 25849940 20414898 19039941 21345719 19179253 20370227 20429018 21359370 21323040 25082544 19560159 18811983 24738722 21877980 24418497 23243389 20489363 18836836 23146798 22700732 19597713 22284191 21421525 21415840 23770809 21290072 25994056 20332531 21460532 22514300 21927480 22532144 24365097 20572964 19377946 21771680 19059399 23044075 19321247 20654812 23527731 23144770 20154278 19673666 21248467 20785366 20829109 24435119 25014201 22320091 18453573 21581773 20326211 18314203 24756903 20291486 25985021 20081397 21191893 21385322 21962976 23493848 20607040 23605640 26328118 23793380 21755228 19619147 19517844 22456748 20671063 22398291 17440774 20692013 22558457 23402318 21443868 21508388 22264098 21421321 23075532 23502552 22526023 23899130 22020453 18092618 19453273 19047392 19160685 21253531 19615734 22689916 23272704 24582037 23632851 23163919 23966610 19980681 21509317 24445453 22458963 25910634 21202204 23034084 19277799 22307292 23082287 23805245 20795470 19684648 23833106 22086485 18523313 20721530 21707667 20785024 24168704 24426078 19731700 23865098 18901215 21484678 21304117 19683188 22714504 21009718 26155876 23326914 21924327 20654888 22344501 19191064 21393743 21025408 20097871 20601218 23668145 21602888 23304950 25411496 21276245 19204688 21348989 18443010 21793203 21723994 21284344 20386069 21616445 22513024 22055348 22587015 20981113 21938139 21771185 21879193 20582076 22436028 22202146 22111951 Phosphocholine 12399651 11503026 10089702 8979061 8098861 11427250 13603154 10204140 7933514 10465977 9444309 10894140 11342522 10623879 8195829 9047651 9821594 9142208 8841686 8367990 7047256 8651309 8082719 6628435 8035060 9070167 10175376 8997885 8542406 9884524 8104744 7888441 8837098 5621066 6157567 10079488 7954661 8751840 7228404 7894577 8996549 6358636 9003960 9640711 9382645 8724865 8095689 6810423 7728509 9672858 8060112 12030441 9540784 9336815 7630582 9466515 10751633 8603876 10200333 8771397 9570795 12353188 12100221 9689241 11214618 12151410 9172650 7347853 11445113 11604004 9213526 6951532 8291962 6488805 9686422 9851845 9636161 9532280 7755791 11586136 5704686 5741903 6264596 6708385 6072491 5751721 4380950 6966377 6623680 4672537 6014173 4648778 3900485 6604390 4875334 5126665 7245746 7376287 7594430 6895714 5980067 5399458 8123067 7634503 7511751 7494869 6159879 9470545 8523990 7753975 7962791 7247094 8494600 7361471 5723033 4455654 5672740 8513160 6484324 7082632 9436852 8385172 6376208 7289884 7227592 7135089 8919244 6220310 7339011 5684202 6591330 4401840 5469371 6013448 4885981 5490714 4635715 4873212 6770605 6312406 5259198 6579567 6279560 8244430 9160939 7611327 6911756 9103905 7274192 4655593 7011823 8577185 8160388 8338385 6874174 8168400 7458572 6338799 7145102 6087087 6064385 6216406 6100226 5912467 6063160 6147769 6099083 5981056 6021072 5950484 5922050 6013991 5933229 5817753 5919993 Phosphocholine isomer 256820 424374 246510 119090 24094 249488 872973 166523 117220 979830 256449 654780 600895 39200 274092 3364 389607 225186 434628 76045 70488 183708 71489 219379 260692 226243 214034 810834 212878 185585 166613 39932 271789 79056 56929 39895 3512 12494 75563 100 32000 63134 257376 3574 194016 104021 137877 45239 206308 98937 109155 367854 33685 210996 109341 36254 150523 127163 192992 131096 230570 577449 528203 116848 407753 298872 218136 106648 220890 781404 40049 61232 68802 85622 56106 262284 272077 168067 20369 77955 62621 41442 100 12828 103759 46651 14578 37228 93632 18202 43237 21401 100 5512 37718 46826 88154 11919 156691 120963 25497 90602 100 57938 71077 2815 31208 27175 258251 86944 147664 107631 202663 91175 100 10353 25664 42926 42136 80652 22901 99704 100000 91354 33424 93955 2411 8048 76006 100 44662 32162 91158 64748 7612 33630 100 11964 115807 46538 117119 94088 98112 105291 132619 160807 5868 240691 128741 17184 16161 191776 98718 197420 119741 27770 94600 62463 3965 100 100 14967 5790 51234 46054 44089 43784 45046 49726 46068 44965 41217 45121 45338 44306 Pro-Ala 125366 188541 79988 65611 91711 83288 122095 106373 112189 76011 181420 50889 33064 271582 245374 688165 78282 12279 185068 94701 82668 113757 163834 272793 93356 197207 133286 301114 46169 50629 115246 11404 247742 132552 88089 488407 50882 314282 242683 87296 190347 170711 354788 64574 37104 124260 126066 35515 118877 193545 208878 201706 262527 120865 255080 240747 128238 29874 74437 116346 56372 130804 124156 57607 388882 209719 21769 72343 299370 321548 55136 60562 82283 41326 250941 73929 60513 392342 214911 90709 58378 294461 70738 254322 167718 49748 140108 68099 33395 151242 81988 222156 66472 31167 101220 53335 53586 61220 42555 242414 125346 110225 366013 64696 69054 43875 198945 187236 149680 267046 235915 106335 109894 28818 210908 272753 157851 249464 133915 157444 98945 240407 198186 136410 41967 102102 63401 228824 42263 75529 121641 247467 187138 291038 230543 278608 153459 160769 105630 160752 214132 100192 120195 36005 77664 264659 271164 151538 52573 31748 221912 92541 251258 24978 136117 105575 23522 169825 296428 76662 142221 140270 75480 130314 140364 227894 100901 130684 139371 144399 161376 167326 178321 123455 123864 Pro-Asn 112480 341784 96292 115876 39121 294334 68252 241093 110302 241916 199310 124357 122331 134243 352621 181117 82643 181828 261260 131032 127063 169945 165272 97005 123897 217384 211357 171067 152493 143161 174065 224682 249179 233573 272618 291512 198910 330582 258507 114500 151952 89841 188045 208226 266307 135094 126282 88455 351396 84420 99564 126004 117524 211702 176297 94663 133646 265571 290624 90044 187132 185795 261820 100114 207344 316890 248424 122264 338299 513656 243274 172197 244535 219686 435252 311455 298422 283269 190846 154377 255198 233628 215084 60994 163499 156514 151645 134877 338976 207589 202308 123586 83139 219392 117551 137483 141427 132567 327144 282626 128898 341755 324191 312311 248287 274447 217635 291899 96257 142735 355587 147536 143049 185490 104914 229319 170427 313175 185625 229719 167584 225297 271122 106123 169334 166507 214289 281791 148514 194439 176993 241531 258947 302823 163955 186165 125739 190536 270653 202921 136921 167574 177809 250113 157405 234840 147661 125405 270004 252186 157036 258824 166711 237176 159240 185021 183284 144854 255581 109310 126819 123451 114684 130842 118802 117088 125974 114434 125841 120300 131260 128989 121280 120103 119086 Pro-Gln 492164 910032 610331 273778 182034 614935 325478 689090 228444 1034711 407802 309908 559049 611046 778556 519774 440702 474473 1221086 790450 212801 511153 341047 483264 540878 751101 1053564 434771 436108 583145 372869 503328 711922 546533 546648 873859 639907 962467 530557 830913 746450 576414 1134137 771693 928816 480006 607572 457312 748111 596380 521812 552125 568541 567662 399737 355031 439003 652854 1319216 300216 673121 760016 705501 326556 1134523 1145551 1850605 645930 1304429 1384110 1316895 565165 833841 817831 1225745 1069972 1248851 1001325 832480 858635 866154 620790 907284 237911 736568 743291 1263237 433712 1479017 587424 807232 316341 332284 642754 382828 511693 890401 860845 2902303 916930 655447 2739738 1248130 809564 1164671 780948 799781 910521 738184 831183 1431448 847397 861060 784295 357581 830249 515622 1008006 571955 850181 555656 1214206 633641 587595 693038 496944 820146 1019643 772116 977357 747513 2088110 913028 1481331 552490 662985 520777 581548 1259306 1245842 919656 816392 720463 961047 1077921 1004572 814030 653174 1103618 1720119 1241399 889924 798305 1296100 553071 573883 1065078 723008 1073103 375843 354914 381984 389216 368665 384532 389341 363891 372688 371172 385356 368849 369822 389026 377770 386705 Prolinamide isomer A 18111 16562 25980 14460 6007 18990 7061 22087 13838 16785 12940 11655 3741 31157 11882 20593 12268 9434 14093 25170 10067 8748 16423 21655 6054 33887 29433 7669 12449 5520 14711 6716 38262 16122 15435 13164 4478 13271 5380 45953 13734 18736 9477 39172 19830 8801 5997 8722 29848 23616 18879 14700 23319 2530 9205 49044 11080 13191 27113 33878 3544 5851 20132 12901 17537 13160 8671 18293 18820 6079 5878 9129 8234 25419 16384 6823 53642 5593 9909 3824 11884 5204 20569 45146 2657 3118 33067 19719 8837 17665 42998 23984 36317 38724 7299 10590 15647 32790 16765 26537 8259 19037 58880 11333 14317 16952 9376 19708 6390 20821 14766 5492 6617 15374 3216 4951 9760 5266 35550 8025 10027 8202 9649 50507 41430 43592 15126 38288 9436 9775 6085 25979 16230 12744 13877 3640 6238 12464 13435 9261 303708 3216 2158 16827 14031 31559 23329 2309 36976 10649 25817 12326 10718 18837 3906 28057 41704 6031 32886 18539 12416 13791 8965 15067 15934 17877 10140 7495 11108 5355 15739 13321 12461 13585 18006 Prolinamide isomer B 47090 35624 71824 43430 35808 37992 39726 46627 39009 49751 56735 52068 45064 41317 45954 50103 50101 35341 37661 66487 66281 28629 50538 44806 26535 67429 103447 30827 43758 34377 37513 47791 35371 21683 16880 33066 36966 36436 35231 46946 34746 30202 44961 54204 54818 39482 49339 40070 53130 39352 24683 57688 58216 53297 35056 40775 39169 48135 48118 51331 39359 37142 99797 39852 69176 48153 56849 51380 44051 49210 38788 30845 50169 32504 60855 44480 73656 48043 27628 29407 63669 41114 38883 58529 45390 33776 55222 52688 38502 70599 70320 44622 108213 225692 64670 58309 40989 42997 49202 41414 35448 63881 47383 22908 44987 37817 42740 30287 50253 46193 41587 33993 64691 65558 31265 52121 54494 54282 73036 75139 67381 66340 57749 229559 69543 83125 82690 60143 30794 28258 32447 48953 52737 30384 34649 38247 41469 34641 50200 57642 651019 49034 55388 44815 32455 60990 40196 38542 43329 14346 39644 40947 36478 44443 31897 64116 73496 25905 36157 54654 57970 62881 59573 55497 60043 58024 57163 60790 57373 57733 54391 57228 61050 57788 61818 Proline 881274 1199460 1171972 1005332 225196 1438485 1697652 1598095 759694 2156173 1027629 1241054 1389754 1293569 1700957 1045725 1752431 1868870 2359748 1823204 1331738 1359537 1546772 1773247 1519264 2360130 2462338 1880348 1399813 2125273 1403915 1365528 1417249 1554849 1434336 1911534 1664730 1971909 1484755 1946456 2053467 1807018 2049191 1957143 2172607 1885780 1771465 1279927 1717289 1731980 764872 1474963 1207258 1529891 1110807 779130 1140371 1177891 1822135 1245527 1156307 1642935 1904349 1126837 1669281 2494270 3186628 1551143 2044543 2670424 1537080 1044512 1418358 1948392 1734184 1935931 2034961 1590257 1210403 2012813 1772410 1568416 1503378 568199 1794360 1124150 2622366 1022209 2892011 1101422 1661216 1575216 1036219 1828519 1433888 1286201 1713268 1294291 3975663 2008324 1363221 3915385 2427891 1861797 2333987 1595935 1436934 2221043 10923198 2037410 2149250 2167960 2777399 1782559 1704945 1560584 1395834 1861442 1923461 2037622 2890761 2576106 2066185 1862342 1693939 2288378 2020713 2233620 1208017 1757865 1628253 4611547 1969757 2142601 986200 1306567 1013995 1032479 2067767 2733067 7636927 2433942 1862585 2116250 1736683 2127189 1728640 1421089 2215460 4697629 1953854 1839523 1720762 2395854 1478295 1758236 2336243 1676035 1701564 1456921 1438927 1525238 1320158 1412979 1413235 1480211 1415746 1506828 1335036 1491917 1392003 1420983 1414134 1483403 1401890 Proline betaine 135390 132031 117588 244677 181087 145214 149572 175742 133848 139574 155190 108730 194976 71535 150433 100829 175046 348305 179093 85709 128441 153185 139353 159080 149254 176956 133926 192538 179656 149768 149909 132655 122375 158978 127574 136200 28626 160186 126538 123584 124882 71373 125454 94781 134387 118120 106312 84628 123029 25556 155044 156030 169321 192080 296983 130415 139256 103566 62804 119759 154645 211358 167938 105909 193311 261255 37789 189484 329412 236592 205374 196094 176599 126982 161043 233325 255320 191970 174332 110905 301705 162305 173023 182358 299552 175467 32758 277215 192929 151466 201475 191832 300502 281759 190648 173111 165898 124408 156802 126799 139229 52962 157007 199841 119794 86801 114652 112767 135792 119284 88483 108545 274937 209732 268040 79988 194784 190715 210657 263544 224499 167608 173730 197659 158432 173366 219904 223888 157252 153845 155636 46245 160970 514976 171399 159990 108176 160424 145414 164498 382803 212048 143821 198350 192481 227504 195249 229898 191762 26343 142829 127869 156573 234811 321056 161681 169066 119683 156281 775773 826069 803907 762969 800108 794362 810774 785870 818500 791532 812608 791899 839041 768965 795302 849758 Pro-Met 76176 108903 34855 28088 10505 119314 16721 50385 52492 71454 82939 44858 42071 167061 68176 107879 35773 43967 52828 111460 41001 92793 35921 32802 67406 73742 136005 33256 74388 30529 65951 200776 7113 77269 71551 43481 112024 99395 63975 60945 89341 20921 49208 87944 61076 2613 49355 26400 56598 43935 30179 21679 58317 35195 24447 7265 12907 127374 61513 10775 54472 56701 22422 17473 49751 31441 28604 36544 48040 64853 135122 77792 116697 330297 178638 95450 51365 106310 60781 35376 399544 141590 312500 95708 170433 177718 96887 146165 443013 207671 458997 127817 65471 171910 48785 122601 67611 38502 45679 103802 84129 36787 371623 257344 65803 474393 121970 145687 19842 56785 131392 20747 28858 29673 42201 19357 18572 46318 9469 37440 31039 8077 38089 100 28657 4038 73543 176806 281675 324896 172304 107074 201211 277119 144503 227248 165354 188309 387073 71705 94120 36264 95952 183057 94983 121242 126762 103588 188224 44831 71194 255972 136041 69595 216204 161608 104934 123846 309863 50339 42756 45567 46413 54629 47756 46621 48001 43361 43877 50676 48798 46168 44734 48123 44105 Propionylcarnitine 480382 735024 758735 1186108 1091516 1211626 614683 1167064 834943 1855211 1055061 1262355 1519738 331894 924043 769987 1045204 2466381 1303593 1041629 3647765 1521519 2418174 1463315 1397140 1836287 2566797 2956013 2330817 1966201 1829154 1638600 647573 734787 792557 663677 501633 569218 580103 731995 609413 636525 1761723 1174557 1071202 872277 1400778 1215140 721269 424117 294644 400243 319342 726524 570300 329129 383618 487359 326616 395461 592268 849802 550509 653034 785485 1641107 418690 484066 1676173 3063876 653210 1145997 1223905 600435 1282733 1628218 1505520 953629 922553 1018039 1140627 1649650 324039 850720 1246533 507115 277498 1181649 648076 1930724 836139 1323126 1014613 931229 959645 1339382 1311775 415247 466520 959613 611248 305225 717899 1107781 486167 592965 818684 984124 1103621 1054669 621661 687643 806413 570816 644362 962663 485199 1008347 1569350 786423 1492747 1794233 1136308 1159462 832448 1700289 1511789 598546 394527 276932 513311 269702 890406 803356 1027453 808851 1010589 1256569 561153 453293 595884 867828 688321 1014875 441286 1244739 438431 556393 576095 396745 296111 809656 1274472 821387 1164441 904662 602032 653086 756014 1479559 1474709 1438456 1466354 1463039 1483903 1480068 1474117 1452090 1494380 1433515 1518400 1393076 1504722 1467561 1464455 P-Toluenesulfonic acid 164598 231912 190953 83967 217988 217082 209594 152448 425484 210677 277210 1776977 253262 139157 266957 670729 135967 232752 781097 143671 113503 196006 95064 116714 376758 151093 139123 528528 352870 808048 361731 230374 129794 134331 128992 94179 117320 129996 133713 108328 737264 253547 466431 142588 173522 179705 242789 253064 87006 46685 96268 127399 72938 88057 109910 74224 164821 109740 82573 182512 548445 101637 217346 261450 120790 87328 96936 209946 90189 100701 108933 187668 85858 249149 239172 360005 387761 157952 71868 336705 357573 150296 116822 227626 218413 188372 113953 188505 141932 362440 249910 465969 102982 467052 241370 685231 125754 204729 168526 116749 208002 118041 194350 206959 131275 243604 175123 344057 187729 291958 329971 238445 110702 113509 91266 293664 123683 112300 113140 151101 503315 185900 200522 336040 206489 184439 90361 130062 252390 105311 137220 97587 109432 158482 176735 254224 158406 249186 248539 268457 217538 143083 326254 212018 271633 279856 235247 477599 188260 105795 126814 361588 358638 208595 682743 464439 438429 411252 342836 186682 192963 201228 190944 202923 205950 192106 202942 197091 200047 203328 198490 207755 202734 202718 207420 Putrescine 521897 295413 610093 540743 546399 419239 477596 431635 845442 629982 391837 895385 1047063 333824 493423 643624 677735 446175 488193 772446 585497 765125 333719 647603 746179 390433 789619 746667 1054447 838408 751200 630840 319038 344177 324571 346865 484031 319840 379876 402936 942434 368011 982974 424206 507785 694108 568557 819752 334956 636926 391995 543100 498662 572606 438773 427398 741064 537107 364944 692236 645371 788792 383872 602086 468797 328100 529802 479923 449156 385987 591862 554817 995942 729575 590728 764322 779857 614927 925366 1040331 634086 689242 731203 681607 665535 735247 798372 641034 1320488 802816 1041465 1461298 1551965 1389093 692983 1487858 565784 462590 489493 499944 633690 672180 593598 602172 512945 659686 1265048 793744 1018905 961599 562455 835586 758941 721436 676725 1135098 638775 646415 823199 864023 2664860 1492246 1375871 1241626 1152548 1245560 2067239 690951 814958 716531 783918 567772 628429 748474 936095 823967 709259 1262452 736842 1013674 1418662 1331269 1231989 565252 452653 748424 485753 566652 420423 405578 681553 571115 475505 988476 1049393 988161 604977 846131 934593 555373 524545 560180 567187 571858 587176 581786 591989 554592 559228 613227 598336 577630 564923 552282 557523 Pyridoxamine 142176 223670 155922 525654 412924 280225 241910 228773 4684 268912 320069 100 236207 174009 44529 3820 228265 163976 210388 177494 879187 151463 230907 181917 91489 252900 38249 18050 105963 51968 135395 438470 531028 665223 580028 370186 574507 842674 737401 392001 621181 3982 138202 376894 248640 31584 172523 100 312871 848600 215551 105959 355198 352327 309111 291187 41662 459354 248743 40439 101987 58009 239107 12003 275904 403954 149433 131928 331997 197595 322141 212630 211497 365778 502858 37365 18175 180201 247042 22786 296491 474263 291554 438604 257842 507081 191878 889236 357429 358179 306743 134680 231293 18902 259898 37395 184616 199205 187381 513852 206369 173953 539885 264144 213675 312516 93054 557470 100 7450 186288 10743 293160 275621 632982 229669 149576 225143 278807 437958 19205 100 28415 100 20115 44914 203684 436525 198227 168698 198259 102929 307656 209089 175299 109237 643954 137445 118690 2528 73826 176872 71493 620208 89306 372703 472604 215733 243214 174219 196862 76413 186330 184748 3625 7880 81768 8366 139544 325726 335924 334250 296160 335308 318853 315989 340752 361004 327265 323048 332464 323402 316515 325027 308455 Pyroglutamic acid isomer 1614862 1828157 1344975 1651735 1129631 2229467 1861971 3285215 1071642 2248632 1823445 1621787 2220932 1399548 2005921 1563664 1502770 3689640 1588302 1726700 2108017 1689762 1964172 1574066 1827213 1458572 1794625 1940283 1785046 2179697 1507674 1813073 1739380 1655389 1808413 1418903 1666483 3288152 2007391 1409305 1737027 961208 2250473 1810960 1666032 1180188 1479631 1132083 2396313 1564979 1022893 1136526 1361283 3434213 1977846 1159763 1295039 1454818 1621372 1266055 1395730 1460550 1461956 1195192 1573798 1608050 1505190 1153189 3376577 2834578 1299778 1302030 1580660 1160360 1580167 1528499 1513387 1342476 1267973 1632086 2032411 1904814 1430030 1213315 3170316 1415440 1190046 1600645 1967191 1883929 1638658 1230197 1123522 1423661 1334661 1214518 2230189 918193 1806379 1492641 1154387 1397340 1960970 1754213 1437727 1286477 1168853 1485872 1100046 1111818 1515293 1089275 1030654 1652156 1356189 997115 1023918 1350597 1390565 1794715 2035339 1395131 1645042 872149 1178670 1636905 1672330 1389944 1064354 1103159 1278376 1084970 1471610 3221285 1239353 1306396 1093548 1571443 1341276 1101011 743014 1658278 1037899 1890611 1057627 2985533 1079822 1247278 1650855 1438359 1206317 1463346 1428958 1718789 1471021 1095415 1563788 1103387 1672469 1471915 1512966 1465673 1480719 1473522 1426664 1447809 1444022 1476932 1414231 1460487 1505314 1499124 1483096 1466603 1464183 S-Adenosyl-homocysteine 2082665 2230068 1971874 1797624 1296874 2106557 2569514 1928688 1343478 2314471 1782162 1831614 2122982 1875568 1658218 1351569 2213020 1787246 2609173 2061381 1359978 1754866 1914871 1494054 1260719 2028842 1959738 1766402 1384531 1447681 1718747 1640853 2631096 1846971 1410679 1595438 2537440 1637166 1605064 1747225 1218831 1508834 1493762 1396563 1387467 1785084 1250383 1255416 1372435 1762937 1447158 1284027 1718111 1177624 1247449 1467613 1094389 1185947 1331631 1204349 956891 1156130 1817529 953570 1940296 2409859 2288613 1274994 2133922 2413992 1601761 1502142 1995245 1738629 1566086 2005713 2475982 1408655 1427341 1630647 1703446 2002676 1818376 1698506 2016253 1471178 1724027 2199941 2059009 1399091 1744109 1142155 1328879 1663987 1409082 1545907 1725745 1081346 1549034 2149532 980786 1638287 1743682 2144476 2078312 1298943 1122772 1943329 1988695 1812990 1502371 1544720 1820172 2027372 1725219 1872247 1430752 1646434 1684878 2055195 1692219 1868920 1412849 1881148 1602122 1519880 1762859 2060975 1361582 1397653 1507787 1587192 2004072 2145344 1383654 1186581 1217842 1310049 1971399 2001732 1335600 1684747 1890691 1807263 1426139 1550019 1687032 1379168 1830127 1754045 1475647 1774218 1694068 2097258 1801691 1504346 1566666 1397176 1588527 1304066 1319719 1305446 1353165 1322364 1294892 1318032 1349671 1344510 1311979 1301265 1302954 1273218 1337789 1285281 1290147 S-Adenosyl-methionine 96236 150400 84195 160275 132354 169738 103756 170173 115041 142575 190852 117854 123258 73322 165323 71795 99203 199352 148051 138223 175095 149024 149961 131833 117598 109980 123008 196882 138867 120301 148473 135211 147111 184867 171686 129406 70056 149839 211295 64508 102910 95096 156831 110020 156763 93929 149429 77666 254854 107040 106496 132207 68100 223649 210602 78853 95669 150080 121242 106658 106676 129486 230794 131538 89038 103442 93486 115201 129302 131547 78060 90026 63178 103879 70493 133250 136816 102180 62698 85977 281069 216631 81378 148907 267134 153614 136887 193462 88291 193344 185811 131007 106241 73999 171127 165429 161534 86169 137317 192840 135280 129148 123565 130616 120101 96242 116499 93910 102775 73604 165723 138885 241907 209312 134971 218140 140753 170087 273720 284988 221992 189420 363114 145627 219951 394410 157964 139212 110731 108009 158860 133508 200626 177923 80348 126627 98297 149009 112205 99623 60402 141004 84854 173771 130975 171749 127539 123463 158423 88220 84782 171741 131584 127726 145029 87000 147412 106500 109751 39808 42157 44379 41569 47064 47396 42249 41484 47922 45925 46334 46488 45560 43000 48919 41195 Ser-Ala 181711 226715 280476 169620 69133 285868 264188 280823 115078 336259 189379 309608 373671 317403 732511 222865 242611 245020 346400 274753 195780 274698 236722 272493 708484 397942 272580 315805 511101 658101 323601 443757 497645 452759 316408 409622 333624 312744 372665 437250 768503 276567 613857 580359 544167 274336 409101 316383 386107 215201 199102 228483 200133 203425 252716 238676 244081 308757 405611 258812 252908 393718 294346 156346 450187 364018 469130 167333 593217 697775 511180 351769 576944 669137 780418 673856 772525 446719 607611 601853 446729 586399 545936 251067 393721 412223 448695 523851 1783521 666353 683143 353330 317548 950201 413401 364233 262102 306432 1000418 901870 190785 521346 739896 565380 572337 655107 428912 810283 509939 622589 618368 773891 186159 327605 146841 124167 83917 183422 124396 237821 611029 124520 428969 94000 234951 184557 250707 598058 331653 507080 458823 632083 825478 690112 420022 476760 453333 649947 636154 569663 403893 1009628 434909 622233 258257 462662 246751 205280 440900 456270 343998 477833 236047 669062 542740 277885 371136 514441 479297 88809 80306 83037 84328 80988 80468 78305 83149 83002 86770 88394 88730 82455 84483 89507 86649 Ser-Arg 36630 55033 42195 18153 100 71701 26233 53861 42103 57420 36573 67686 77265 72649 131108 14461 41351 103052 67408 71202 113937 42933 66926 70658 221960 60794 98665 129378 123580 249060 82624 120660 44233 56627 48495 26019 14112 44304 47153 8522 165371 30325 59671 80772 33172 34696 95181 37182 69068 52637 100 15377 12836 53063 49749 54963 65883 141796 78880 59728 30387 42962 61889 15121 39813 40529 65344 6159 70211 89364 71447 46204 68535 315249 102040 80959 83571 75334 67786 97738 158089 202061 111038 92111 168084 124546 116347 174125 827693 223443 236720 174473 165642 378635 159770 163238 61173 52173 133889 125972 28371 100247 119148 54129 90628 126687 101805 106873 74822 114831 125577 133764 27995 43260 15268 33496 17098 35644 53218 49472 81949 67600 87819 49937 38251 62321 49386 108640 92743 142470 127659 117652 210954 190147 101587 106753 181705 152363 185627 133252 254001 232333 121309 145046 11574 121183 45779 52902 93380 53113 37992 122612 58747 97847 158592 63180 97864 110590 55389 22173 15443 14887 9568 9674 12825 10969 14930 11583 13307 13584 13928 13669 14618 12229 10155 Serine 4106868 3909361 4368982 3051725 2318633 4178745 4953348 4088198 3353295 5000397 3978653 4966842 4785248 4683834 3815457 3820984 4367046 2981656 5593064 4458700 3536585 3879627 3366504 4173984 3585893 5180444 4896316 4040767 3375507 3557787 3210178 3674859 4354123 4779221 4272005 4448694 5304492 4169455 4894063 5203168 5352766 4020010 5713143 5247843 5319866 4351504 4309184 4299864 4887364 5386414 3717529 4106058 4385611 3916205 4238532 4221692 3936229 4113515 4249202 3984681 4593740 4390480 5095556 3875980 4531438 3975320 6384109 2998848 3118622 4564825 3606899 2370305 2959388 4337541 3539338 3741755 4236499 3423948 2960807 4032504 3767970 3648357 3900971 2549868 3532403 3419299 5540100 3105416 5835664 2871337 4723916 2946702 4731866 4991381 3336831 3176188 3340040 2757098 7820303 3919467 2488859 8295712 4445792 3132129 4788021 2883223 2572069 4163228 4754071 4395457 4011541 4291725 4425933 4128961 2048991 3125523 2619106 3495332 2916092 3907303 3881456 3417995 3258602 3841114 2764659 2986196 3287291 4627201 3883845 4691224 3964980 9689986 5040625 4912562 3112165 3244505 2766997 3091227 4883046 5347511 6920140 5165906 4680875 4764134 4003852 3930695 4230894 3694149 4702256 7642332 4743694 4342802 3830835 4441242 3810595 3693048 4162763 3706273 3823140 3068429 3004570 3013354 3056299 3141147 3005575 3045990 2988195 2966308 3049971 3021383 3035326 2994329 3011187 3024605 3025533 Ser-Lys 7831 30652 13655 3142 100 42823 13503 20010 13594 46038 12511 46984 56155 64060 155932 14826 11219 49980 36004 49150 55882 40546 33968 39658 116630 27685 90208 70347 97118 138878 66294 95297 6465 14634 25447 2309 17279 28046 26231 5367 75691 35434 43730 74763 18721 16869 84233 26685 27790 10386 3245 2803 4959 13525 13280 3566 20741 82647 29312 24874 9069 21513 24536 7262 14509 16848 28822 5648 31086 32119 25015 19484 42886 161900 58326 45760 58842 27136 41927 39352 122767 99311 89739 39430 82068 88003 116052 84709 273379 120312 202771 100446 86921 149073 50389 89468 26167 20738 61714 73499 33043 43192 94294 42190 41768 90186 80172 74268 38094 70130 87106 80224 6783 23127 2730 24825 100 18209 5221 12173 54725 34811 54743 10881 30725 9829 17714 85313 102349 94802 103931 96504 117828 174883 70167 112137 114394 153466 142506 85933 101545 121566 67430 86792 35975 122189 25381 36906 61003 22061 19956 94986 38629 65038 141736 56425 51829 82122 73387 16982 17880 18372 14262 16833 17875 18618 17008 18993 18700 16495 17376 16367 17860 19982 16807 sn-Glycero-3-phosphocholine 149088073 288992698 58575370 257216414 184975579 329851187 92178168 216265630 206557576 263251508 263684802 276919723 295208879 127534429 322690601 258377790 86342269 193901966 145937015 43653878 295492861 143304653 221744511 92259979 300312703 141469677 144557624 389129170 230844964 317935875 269369932 204038588 164985309 200239428 200817108 128788214 79935893 105870173 143857533 34128352 264960608 44003693 186187746 136912985 187655791 154078618 134472804 103255467 327096015 56421077 64568101 113596051 75413182 203465329 223319320 82338881 195205182 164658538 84127153 238363948 155362066 137510025 230470021 168877734 186984653 224424346 68880140 118626077 358547227 431084047 180429830 250632741 352655431 108965432 326263033 421694193 452449697 308348523 283928174 258937413 197715346 234587619 76513162 97389319 105687399 91869445 14420310 188979201 195463091 196199387 109894695 170291510 159157685 206165766 162689589 259650671 115161429 103874623 78523723 271807208 154797608 67614304 250095005 317316933 152474563 237214883 248187262 350910507 169714895 225505368 207670975 282706677 46613953 88733793 93706586 55657060 48597248 75514421 91293098 66773000 247925047 78318649 176952808 67453997 111757142 145802772 90633546 125983202 84828706 55828811 80211990 14457903 128332165 113959838 171236683 221029443 125997698 232647411 100573842 102941899 122987719 140158115 128366119 173714117 53604552 170144232 87226430 117979118 142472393 15368680 68818157 180395070 159406182 184388196 322019466 245729828 117945650 243159460 219347813 201924937 203806971 207672022 204017527 204976783 199727450 207390744 213953619 205475113 202364163 206465396 206904733 207209131 204339553 206584289 205713200 Spermidine 76727 180812 119336 206081 149186 79929 50818 232802 163017 84132 77182 153512 43496 163634 77950 143746 36572 129861 120073 123435 71691 57400 314559 155344 72744 141249 64855 129664 98863 147721 49367 132823 54462 210002 31398 63582 101972 338488 93226 127621 225958 59687 43047 99875 108537 127882 119986 78126 201255 108644 88689 135483 77484 256703 158393 75472 141865 59860 43033 109200 197829 108994 69608 214484 85822 98462 71042 134326 135084 5213 57750 164997 314381 94012 105869 125410 169239 84002 214888 58125 70138 83016 83026 130133 94685 250194 101378 136168 108182 185350 37542 372520 92135 124928 78147 49631 70147 80379 135440 87385 295600 83536 78703 138817 77453 77864 95147 176749 124945 188989 114719 82157 394956 176091 67985 196250 597757 46306 338814 48809 45586 53141 335246 170688 127318 36005 79416 46244 55456 96167 79654 69530 84691 88597 78368 27910 76527 81946 232763 88671 112956 49090 247047 119010 117368 64124 197783 107928 169110 41707 158318 101957 154049 281347 90783 90947 84202 138570 333956 100 101587 131874 50144 97412 89948 107848 69635 88290 116694 131208 97377 98109 77587 88771 81799 Stachydrine isomer 607292 921066 529076 575911 422930 836007 608947 568256 603463 854973 708181 849690 929130 607856 540853 606742 775240 921303 792654 842675 807094 753340 947432 708097 931264 763436 901048 1303717 767043 1193014 900068 790799 379297 328579 495801 400049 405935 509112 449428 348015 541296 332922 498957 535207 484544 480966 447347 376580 617967 368275 239766 377096 322613 514219 432727 357647 519728 451509 408147 507298 369800 490857 576763 426810 581053 657256 474822 464101 615254 703960 509367 474686 582049 833424 561778 682140 815018 471835 499941 767200 1366514 1261450 903998 1068081 1098035 1132992 799335 1248348 1253720 1088309 1044827 1012459 822521 1380215 945868 1161800 700678 703328 914112 882015 725493 714530 971029 718513 813403 832352 847805 994408 1090001 1047176 875956 930757 610401 637805 424806 545184 501668 646328 791200 684885 937830 1073626 1051386 687085 723698 1007377 759414 940333 781438 666342 795483 708363 843027 859133 598453 769486 682623 921503 791741 996462 866983 982609 865548 721617 864159 746995 663008 672223 823078 384586 531336 815822 713805 903429 1026508 871195 849887 920699 774037 514923 517849 524480 508091 499297 543091 532914 502783 509661 515180 515120 535468 523040 519205 523652 527285 Stearamide isomer A 62005 655865 561976 80771 349129 384946 340561 264512 397895 324579 357330 431307 588942 385807 181311 231566 116107 472570 161166 472905 361680 332954 305196 187176 409306 329895 420673 465950 562223 579331 432744 393277 672522 351224 427551 118519 502859 383406 42786 407299 315003 353262 413351 284423 591406 495199 348031 419970 349806 404700 42160 281051 195718 430895 336510 296723 735956 390237 493993 390854 477434 405215 461201 433281 341040 255345 387096 41593 693400 489088 508419 383511 457673 275964 267253 489589 344220 453505 563704 417754 336972 386549 488895 98315 329077 197474 520903 151591 407091 200568 180495 593475 408770 549385 474453 384319 338946 407759 455981 300205 37156 595964 417386 528499 450283 343758 483158 375362 368507 457550 298558 441062 70264 323465 255862 242028 138882 417501 405849 368344 464917 407355 387093 336723 398996 393091 284318 325835 383331 99375 245041 459596 1223578 385820 652762 405177 363461 433145 161435 437683 430435 334928 320245 293928 216960 794859 85441 215354 372311 370356 312463 340754 828829 480618 355579 593510 453309 315522 386323 445750 420174 425164 441730 545903 480481 485019 393034 505385 504750 466605 399231 396172 363303 419012 445431 Stearamide isomer B 825236 886383 701445 309799 206775 993428 1867429 329826 1972290 1250878 696820 441889 1034500 2012838 1063071 725878 2483802 351619 857921 1039853 443105 320722 544082 629940 244262 271490 5280144 957822 1016398 658862 1012284 701966 623717 599766 435098 1800850 150813 734977 272258 897561 212658 535567 1549326 735328 736852 589608 1215454 168774 973324 1451174 1945189 557345 14709 3210603 469452 337069 709956 402441 714190 245270 405680 5420173 1728040 951306 557107 558640 486576 452533 635778 522042 518815 372318 809484 650857 470814 777495 547552 928145 520882 221098 997271 322085 776028 2094726 779545 694910 404895 448588 612620 354739 1102952 901209 1375394 748599 140794 1159577 331760 559555 527393 570421 212205 1162921 2374627 314998 1123214 431010 1206971 568708 1089212 415614 675049 277936 216815 1227351 283120 293097 879804 303944 728036 680517 281008 231658 821214 1506912 1198171 5879374 653101 1075313 497222 434962 217616 334692 2932740 397677 962474 516520 657607 864082 968443 584927 923234 732172 637232 825451 577730 821264 662973 1451196 1355370 465114 2041567 606978 756565 1011493 731313 818886 761807 464053 349425 734281 398202 686517 578716 588091 566155 577547 420787 479990 526516 596024 574128 526475 465016 559237 497898 Stearoyl ethanolamide 100 100 6133 100 100 4718 100 22118 100 100 100 100 100 100 100 100 9014 4630 10605 100 100 100 5791 4867 6568 13299 19257 100 100 100 100 14923 100 100 100 100 5237 100 100 100 299026 100 3950 100 100 100 4837 100 100 4365 100 100 10791 4657 100 100 3958 5331 4421 100 4188 100 100 4042 100 100 100 5103 100 12215 100 100 100 15298 100 100 385774 100 2907 100 15376 14233 5687 100 17742 441243 100 100 22424 8872 4926 355785 6817 100 11991 100 100 100 6121 4580 100 100 6501 6441 100 100 100 9284 100 100 6859 100 4934 16329 100 100 100 6618 100 100 100 100 5919 100 100 9805 100 100 48681 4665 100 6455 15739 9137 5833 4058 15785 6572 15971 6219 553191 7072 6494 9813 27595 8077 21499 5756 7019 100 100 6134 13446 17132 100 4239 7260 8230 100 21720 21244 100 100 100 100 20117 100 100 100 100 30482 23477 17148 100 100 Sucrose isomer A 528018 525980 830260 919887 649530 693013 487034 417021 1637466 1129424 592632 844434 1021115 1142031 291678 1274341 209352 174866 257282 310195 238188 211348 281422 476361 153820 178510 717398 937938 345244 121883 356140 291816 254463 437184 304565 250225 529029 518441 242325 386912 1681499 871407 168829 635896 581046 513864 204662 554515 151271 3454856 439591 527213 832136 898862 491519 807341 1437684 1418444 432871 430353 679754 907480 1840488 903851 371368 503912 382936 2490335 1386608 2094673 784577 386540 544679 853275 452917 202202 449850 712595 380918 604925 216343 957844 1168611 981829 671221 801677 947565 973588 152898 232184 517486 1755349 682158 960259 729280 849203 685426 617209 564267 341538 664110 249347 308798 853912 593660 1229051 620430 1239541 928715 1228636 1286605 511457 650409 1255245 456103 930191 525491 370305 803971 1106492 142549 1375320 506021 541341 678392 1655042 238444 1008449 552292 825836 742193 650545 833933 872626 3006127 559198 423217 1740772 1190675 796560 1757631 543371 727524 2334094 751247 490317 1384674 651147 252644 177494 592666 410182 403826 832180 484635 922658 540540 615803 463784 1976796 1268427 1166183 886574 1117873 766555 743391 591556 1127668 1059813 1166674 1204316 908912 1056403 645991 1132694 Sucrose isomer B 301702 237305 338640 280101 211519 533144 301147 236620 619039 330222 208360 526512 276169 266985 268408 609848 254415 246044 215530 306583 347536 216712 304832 282798 268903 239193 525604 293050 205967 339925 450193 420878 285203 397771 257885 229562 300796 213596 223817 250783 651917 495744 371816 357043 348613 565664 409972 644073 234224 316027 218559 346146 272985 268157 308913 344165 627678 789333 880376 564099 328673 373158 934171 574296 183858 172214 182858 190077 150823 302968 175349 145843 175058 253350 277454 284909 332720 174051 157405 474505 271182 298214 263301 307544 333326 340633 353730 263381 207375 257440 306873 534650 184040 543683 322114 620094 312638 190519 228764 180553 164793 204588 230305 218575 194511 208772 188922 519511 572829 519427 303349 458762 406544 497070 414240 644337 277594 343640 372048 5154901 826876 630953 628418 541537 522645 590796 323242 214072 181637 213579 209586 201970 277295 239396 333416 364556 251690 259975 307017 403237 499519 253731 517133 687258 243645 612383 224295 237216 263888 157098 239228 421470 291788 374108 412211 710808 340094 406541 171866 292958 253058 262768 246620 280716 262573 263636 264824 266925 280966 261955 264813 321104 301452 280886 253854 Swainsonine 27688 31979 7628 55824 2392 130549 2770 54231 100 3913 17733 100 29028 1714 1402 2554 7749 31795 16459 40127 105674 14624 13339 17838 100 20464 1108 8284 102052 5117 2561 1305 1656 2549 4167 4045 8545 5167 100 7409 2189 100 42948 100 13774 100 2998 2940 60483 9964 2662 3816 3850 137414 69097 3561 3232 2828 1706 3908 3113 95526 4325 2242 24609 52573 33794 8739 47565 76235 3761 13622 93242 100 1414 2845 14788 55170 27202 16060 37260 16282 19956 79414 4195 35441 16318 39036 130648 1520 4356 100 22480 8289 23146 100 58414 8022 39448 9070 6588 43347 12325 78121 31833 100 72083 27559 6513 3328 100 10976 78507 39618 29454 75914 46145 88017 86493 58461 7825 100 2911 3557 6243 6093 165492 17126 5244 100 5853 18148 2581 16192 11374 32192 100 88315 1884 5798 1973 59316 2063 14166 18119 36511 14950 20631 7504 29408 13280 1679 42485 76621 7858 1698 3386 2038 106370 73973 67727 60243 62071 63838 64808 64412 65144 62221 60662 56507 59466 54894 58511 60044 58171 Targinine 983474 572069 1265303 463544 161794 521831 1777934 435189 523674 1289928 466366 1270693 1183306 989974 543166 214079 1401956 663048 2549457 1485216 457372 1144575 467173 1319992 638499 1581131 1545577 853832 1154682 843882 648901 937914 664766 836371 550922 853938 749111 691172 713957 1046283 875493 1452162 2177590 713643 1631905 680014 1293998 1143012 444356 1114952 531139 985344 602472 429109 372575 362040 499127 687672 575009 434727 823689 1195146 866455 391331 1817416 1456016 2850310 890637 707375 1452789 992418 632071 783916 2144209 854940 947362 1639713 968391 922545 1337600 1375372 1241866 1281393 503335 1621203 1278118 2899448 960519 3136460 827729 2388151 1054073 874135 1917003 1492050 1294045 1678681 1527196 3807455 1784727 1128279 3780274 1901708 1321426 2299699 893803 1002670 1386283 3255442 2142153 2218638 1878587 2693075 1089959 229737 667217 345452 791207 478541 1184724 531071 1015590 509754 968420 587854 497554 561135 1883084 1888095 1621858 1861943 4412719 2256806 2106628 1054122 1218557 959530 963027 2554529 2916893 3393061 3500310 2254914 2498248 2678149 1650693 1484599 1649719 2298153 3433547 1929835 1989776 1896517 2827453 1401384 1215146 1884083 1467894 1183216 312241 293630 300566 308528 306895 299494 310325 315394 301516 318149 311184 309235 311176 310689 308387 304578 Taurine 9178389 12759212 7008983 6012634 3612303 12807624 10226503 10674039 7905252 14586752 10405092 11826308 13183306 7926840 10967064 9819288 5793509 7199484 7549764 6699935 7469818 6874552 8945328 5833038 7865861 7621852 8072084 10223750 7397002 10522830 8308879 7699246 6954235 9104870 8827147 7921122 8289542 7665763 9726047 6282770 10485573 4356827 11446890 9324310 8702744 8650166 9553318 5997581 11454342 6456287 4768949 6550446 5545508 8150084 6899401 5983113 8471452 7270171 8345731 7996743 6871789 8399324 12173369 6876610 3444142 4292484 3190822 3486953 4011026 6074304 3007287 3021296 4379661 3734007 4010342 4291803 5790877 3820200 3227722 5149749 6413329 5382168 3181927 3544098 4384717 3319492 2793880 4030522 4996991 3142033 3479810 3668255 2720559 4369820 3105072 4030374 2825315 1532672 3977332 3557445 2611699 3195687 4624930 3984580 3532596 3313632 2816292 4565545 4041582 3871504 3528433 3259696 12356235 14809475 11097875 12507677 11638857 14901034 17398621 15351877 24131229 18620300 23859403 12759191 13992115 19320027 17423386 3899220 2866853 3143868 3336910 2855275 3826072 3727680 2379075 3340726 2869077 2930815 3326316 4444575 2695244 4609361 2849778 5505030 2887187 4225013 4509889 4533372 6289082 4560858 3641960 4979952 4359126 5853613 5823979 5143440 5557540 5032695 4811751 7074937 7051098 6993509 7268533 7347457 7147820 7242418 6947888 7186887 7152599 7001900 7196952 7400672 7005295 7212884 7364404 Thiamine cation 799470 1554871 602540 1162936 991898 1526367 1014890 1272737 435085 2111117 1187505 1033062 845005 868025 1436263 815038 1723252 1515588 2123140 1226799 3221089 1053782 1706919 922426 1366991 2673138 2552810 1537397 1197402 1252301 868247 1574966 1828834 1885350 1979652 2101166 1538426 1853524 2514141 1385212 2831240 896992 2046381 1973106 2056889 1630533 1172881 909741 1541885 1354816 782165 1042914 891672 1393372 1232144 802639 981144 996964 1381906 809380 1091011 992345 1617122 580245 1394682 2054879 1416373 823771 2800111 3144914 1420989 1625452 1808906 1294979 2252098 1830296 2220495 1650569 1440800 1516320 2036833 1723728 1169656 1041363 1236433 1629869 927673 2050538 2486200 1261498 1556555 856767 809283 1695611 1188670 1098401 1428528 1495975 2314137 2957854 1025673 1328387 2790330 1659468 1874190 1270953 1067649 2223743 1833421 1504744 1912969 1693099 2204609 1370206 1139275 1103299 914705 1748142 1563915 1667509 1531162 1163649 1715612 978447 1205538 927072 1445870 1439199 908699 814572 734352 823210 1756965 1891785 1085820 1008087 1356406 1218843 1322559 1707289 1138185 1501284 1413822 1977544 835991 1896753 963260 717390 1305820 774970 1012126 1272889 907719 1370980 1156839 935354 1074191 1079680 1068935 1160194 1138520 1168175 1135694 1220736 1203884 1149815 1149181 1202961 1178319 1149165 1238493 1173762 1215207 1168056 1163739 Thr-Gln 12932 35073 10806 16046 100 39536 25883 49485 15021 103018 28610 51350 61347 49635 253420 40231 6036 37481 36104 16734 37263 46404 30833 9637 210450 40254 53450 112983 90002 293218 73746 102690 42686 76756 42665 31458 10162 51424 91477 28658 114785 40317 82093 125105 50060 45363 124611 42057 75738 9924 4090 2650 3845 42292 23493 100 53885 75695 84868 47063 6447 45099 39982 41869 71443 63145 53279 9980 123397 92903 51594 42320 77545 88080 136586 127488 157244 52113 94531 65037 93065 101561 44151 32639 59174 56764 43246 105764 510536 169226 131566 42801 48419 93506 53265 53438 42813 36925 117198 145843 22755 55958 55583 112083 56431 108166 62624 56440 64010 58609 122061 108236 7835 20879 100 5105 3239 5217 9731 24106 100739 35643 136455 13193 45300 50915 42413 74818 22982 52753 59687 57702 86287 123541 48305 41826 92541 91609 91981 87885 91359 210478 48124 67741 25499 63605 20888 25041 49914 55251 29657 86612 17535 112565 115134 36079 90129 65138 45944 4761 4457 100 4457 4240 3581 2709 3897 3960 3795 2443 2819 3385 3613 3800 4073 Thr-Pro-Arg 18091 17909 48040 58781 48534 13304 37562 14807 55671 27541 27191 51163 37335 43003 2379 100 26828 24438 56295 34518 29480 43206 27763 69652 17803 27219 25011 18374 55901 23423 42960 39794 24554 46890 28048 17212 10823 14695 30212 38324 14820 65279 45716 4745 37954 16361 42538 60280 100 34480 34545 37091 100 20958 30518 100 16230 51012 100 21890 41074 47656 28933 29071 51618 37730 145465 40416 26944 30547 65233 50925 56914 74493 26252 36823 49733 38434 62513 64126 95641 109065 108447 35058 119496 156217 241249 125206 159524 76083 73082 68641 123116 130747 128115 72501 72245 87768 183707 138969 73988 201314 171362 26801 135233 26450 80687 34447 64015 57006 57774 100181 19797 25225 5265 100 20608 8135 22828 38117 2114 17102 6488 23580 11333 100 11244 178518 90102 146627 125705 182128 147559 180395 100139 90163 74200 79444 141959 212741 147482 214458 151340 148896 62159 85730 95224 38430 119812 183294 79429 86347 65556 109766 127776 62470 51134 117975 104524 15081 16496 6081 15420 20201 14223 24331 19874 20054 21664 19858 18810 19400 17806 100 21587 Thr-Thr 69748 94140 82573 62874 18719 130310 41801 109629 69118 175497 91549 138189 189068 225624 352014 103078 105570 171305 147774 151397 233930 128667 139094 150889 391880 132534 235722 330841 314048 468484 230902 321582 149884 276633 162525 127004 157463 131483 190232 167713 496463 161718 226720 279520 159155 110519 286892 124802 155651 64712 61032 44796 50050 85262 102539 102126 99789 206760 152360 128313 51110 118430 103118 40867 152991 159809 131674 50791 230787 222636 185366 159224 227230 454432 407705 321933 433856 178173 255104 282231 402937 538313 351323 128064 329944 287355 286470 376873 1575267 588308 490220 422486 259216 1383979 306189 439892 91353 129803 405522 499402 110044 201992 333165 256122 261890 448971 280111 356553 263303 398668 296520 508983 27688 109996 26220 8137 16118 70690 14764 45207 240918 49100 160965 28504 90781 51292 84826 374647 130846 427078 294628 298261 608103 341154 187613 208117 346513 345762 380646 586561 385651 985513 434646 263092 74238 191306 106730 87984 238014 216648 131087 268400 87497 362802 425382 135718 307505 399954 228626 16524 15986 21434 20375 20448 21466 20685 16991 18360 20333 20596 22270 18845 14713 18836 16960 Thymol 213415 350716 200760 245032 297915 217516 234095 306789 321414 276893 357623 212955 185015 275618 266652 326607 221064 270570 201321 372719 236173 202672 300100 248861 220557 279935 171263 266816 277571 209744 325604 272785 135411 322008 254267 233426 298378 279581 296665 190239 234783 212777 167765 248588 226594 171817 184754 271277 308726 383961 308859 193116 273125 312853 309181 169289 268662 336334 272744 311154 222938 226678 391293 296251 220038 293546 353359 320070 350470 215192 142663 315382 267385 296346 287613 245330 216845 309309 195345 290246 212976 263759 243566 166429 396034 212837 331989 337508 194241 240446 334940 230807 268917 290823 291355 374272 364651 207490 221103 234364 251226 217573 248163 162400 347579 284314 230267 300670 254218 311224 294907 257825 228116 200153 286597 289066 347529 360182 370676 117905 220161 240878 241313 224160 213369 147641 286311 287677 208256 226830 262501 213943 69115 287819 259621 250812 334789 256723 332603 237198 374093 151582 290645 298527 234457 262397 278637 325984 318799 235696 201356 349963 153735 227178 216628 306348 254511 227613 225518 215492 227676 238945 273074 257427 200253 231825 236216 274051 276587 232829 222442 213409 214322 246022 237879 TMAO 145471 355889 98376 255755 184412 173548 375015 281345 305804 740599 847862 541940 619344 297136 296353 304742 335877 204968 256043 158046 170905 233059 317851 149545 409592 367139 278685 444625 437592 391388 213789 128823 157065 182024 299877 253627 102103 264872 197744 257231 513268 333646 621698 310467 672420 480394 245692 296125 328503 109897 203125 241519 151929 282783 150239 271481 370876 306249 259162 340307 456446 460187 275852 330403 263246 263066 85891 217591 207481 220121 143722 235647 329499 404748 246861 423863 268137 435079 382131 379459 535909 192998 186630 251391 265331 443874 128496 375262 487223 384063 371139 417431 359967 414831 519731 298151 207677 290728 164695 130134 238697 92732 340712 301782 428435 301656 403070 284372 424620 418066 387014 443728 580828 279787 642560 307409 484129 243957 763054 604239 3116811 2205826 664006 1150275 729563 935443 3080862 288416 408828 156123 264536 134722 418299 235910 146948 592131 227575 417251 396863 262327 237331 562301 379725 148279 349079 236062 205648 308282 303127 92823 150597 383219 469089 595827 585255 333225 352330 399375 433923 512012 519484 477328 483656 498493 481704 486696 466046 468512 472590 469543 473486 604066 599387 478418 477421 trans-Nicotine-1'-oxide isomer A 11121 100 1069 538 100 100 100 100 100 844 100 100 100 100 100 100 3717 100 1792 100 100 100 100 45833 100 100 100 100 2262 100 100 3148 100 100 100 3401 100 100 4640 100 100 1727 100 100 22160 228767 100 100 100 100 3723 3897 17562 100 100 100 100 3637 100 100 15673 100 100 100 100 2310 100 100 3711 100 100 100 100 100 100 100 100 100 2069 100 100 100 3500 5647 2090 2039 100 13669 5384 100 2792 100 100 167 100 100 100 1931 100 100 100 100 100 100 100 100 100 100 2330 2007 100 100 3366 3926 100 100 4253 5472 1657 100 100 100 2474 317934 100 100 15096 32617 100 2886 2086 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 2412 3047 100 100 100 100 100 3470 100 100 100 100 100 3294 100 21390 24093 23908 100 100 100 21219 23344 100 100 100 100 8461 100 Tributylamine 307545 215206 253094 225511 300513 279755 251446 286758 202747 235886 217306 320123 223883 190025 275008 301479 275841 256446 304761 276287 236449 277328 268395 262736 193581 362162 282083 136009 215615 188595 233368 253342 215804 221254 280229 255697 319817 301521 172885 187961 296498 263779 341964 190252 262331 119800 137668 261578 276106 316598 364606 206471 302692 277185 214446 160242 191543 252993 268815 168017 198020 385613 204834 164654 278035 214815 281921 160958 271503 234545 304832 234607 264561 217565 284843 159074 217373 233763 279294 259708 289232 351702 282146 503669 258074 259141 299151 255609 227728 250598 299887 255147 303611 307756 273068 215737 266103 314382 284211 218363 176838 79042 171639 263501 178409 291719 358459 299630 287063 231410 223718 287153 167084 262237 323754 254662 309791 379508 311173 120709 300461 309485 325923 139715 171699 278427 272894 212138 289746 271913 259533 400823 26953 273962 302122 304138 280975 253929 255832 215680 186492 227936 276007 254263 196300 249981 270654 185053 162389 84016 188342 295603 78660 220168 357060 286908 204658 440668 272128 330031 350278 329112 326220 338327 340958 341476 336559 301115 311179 346201 360015 320869 314763 308191 323386 Triethanolamine 1665362 1239304 4991665 758729 2336758 900737 1416378 1086295 1384463 1519800 1066064 950390 1593922 1350857 1316716 1359324 1451628 1002031 1343733 1066897 595863 832275 841556 1441153 891762 674313 2408223 1441877 1577925 3067453 3456667 851462 1582366 1172588 758741 1732276 506914 461681 1054323 3838808 1130085 1770580 1969335 1746659 1011182 1231531 1778483 1441933 1046512 1130678 1008206 1205210 1116235 774970 825186 4023642 1802298 1256007 2505420 1663292 919453 1718407 1863778 1294516 967208 757957 766070 1271433 2684785 679614 970688 568600 1128149 1309033 672867 1888665 2648693 598208 2270473 630271 1364979 495546 1363821 1707324 2376462 826969 849214 2232296 1576374 1304500 4819504 3432805 1599009 905605 578936 1668105 1561128 737681 1130803 1302610 3652597 873449 3051674 1142544 2441822 926926 2476026 1178353 1385153 949087 1010609 467787 1519811 2447284 775883 1293271 1007291 987022 1378552 2013357 957836 1065116 1049155 2304352 3060889 8410158 1027130 962394 1316213 752002 510874 710578 1498749 515089 889681 542635 998180 1258498 1170308 1447049 2018560 796611 1227411 1755331 693475 2059498 893418 1068133 2225798 781108 754907 1406207 851429 1498636 1414581 1804960 1738075 1291103 1205517 1022908 1015060 1722128 1306640 1642753 1170129 1181619 1071164 1314252 1301875 1352427 1328693 1146020 1140582 1166086 1154023 Triethyl citrate 2491230 1032103 731234 2539658 1087044 1353196 2101813 1139158 1721847 1033648 1731722 1260309 1237244 1426621 1607054 993198 2816332 907857 1856989 1447060 801664 665211 1291864 3269025 839452 1174378 1520219 229306 723996 689960 2693292 889593 612774 1438228 962508 1399441 1245847 1207427 2299103 735444 1185616 1048822 1052514 1695992 1119841 902088 1328735 1050642 1360991 1324497 1762610 1713005 2466493 1177875 1284434 471198 604184 1222506 1785931 1067776 191554 957522 419975 1154127 1166028 2413893 1162216 3417211 1044898 799440 718585 759714 898979 1706797 831424 814308 1554638 1323573 669893 938417 406520 2001845 1872953 1811804 1197392 2940694 844235 1405207 758923 1209332 2081174 1153723 1182846 1045779 1004263 1090582 861857 1122096 847986 1687461 2569432 1281500 926870 1122454 988490 902677 1145211 1496666 1024090 984409 1813380 817502 2379389 966919 1050125 1013960 2030835 1116935 1299239 371566 892785 759664 413475 1258110 1619316 404689 1011399 1123879 774233 2531832 1274531 988006 26614 735140 1510830 1138678 962630 1163171 2059517 1286569 939040 829663 1426448 1272058 2388077 1072862 1833500 3073478 1682633 1031798 1421324 1543550 884040 669124 1368472 2025435 1212727 544432 821021 652358 713953 457990 503296 411204 407273 407215 567590 545962 665204 388040 412487 451989 458484 538278 511916 Tripropylamine 416822 280680 467663 453922 676791 190524 335537 164361 417923 320808 433333 312815 254290 202054 263182 286126 387323 299598 532313 270240 173200 392156 173414 705052 246924 270973 178187 536675 508193 288566 533188 380759 591977 235476 197388 664375 169245 284383 437086 343546 330293 286345 272848 133499 383154 296805 143402 275580 268114 274359 544156 808090 741428 272895 346115 485028 453064 242328 199782 267976 575062 264154 339652 283482 728184 526257 182985 860926 258571 297947 327429 364416 231796 447942 163157 367697 324916 234358 307153 240618 304429 201227 396700 376606 356473 573129 274704 794952 335389 450281 294120 349219 455826 298691 348792 601940 229000 339420 643002 419897 884047 121878 148915 204364 235774 257047 665509 277170 342761 286876 196773 446240 604283 484663 222916 291994 474599 275775 304848 70601 326597 240732 224342 724635 94232 278755 367091 917092 525984 437483 704663 258430 49326 314359 324540 262253 257116 638170 258807 146605 341927 419246 303687 257874 751312 217950 535334 840418 222137 145487 226052 448539 109299 313771 277653 357924 260048 238542 306500 344945 311292 334399 339787 306416 308297 304018 306663 319149 323187 307270 334335 315085 309013 299839 315210 Tryptophan isomer 1212886 1198411 1059288 507284 465656 1463256 836227 1478046 405751 879975 652338 436956 680323 1468674 801434 296115 1331105 1845129 1311043 1998587 1081495 945289 1371317 864906 448611 1184440 1519198 778815 576740 512748 302349 1106838 833521 1174528 1139399 991221 1602446 1322298 1118697 1417826 606267 832815 968855 1029797 662295 421482 696027 340830 1224485 1290268 688355 841063 804760 1268520 1028820 625035 302510 715022 836516 723044 543284 455106 345841 235961 895735 1170417 1777791 826530 1516788 2023504 959188 823088 835609 1243553 1243513 692492 577710 823430 786254 647199 1477971 1555988 1107408 648740 1580438 738631 1701969 968879 1239765 803821 1358937 852200 794771 897176 870944 426316 1165656 882122 1481547 1512442 624501 2089070 2013882 1193859 1255082 1097468 550061 583785 592857 712764 1310430 728402 973850 761860 784370 1090812 538063 1435697 865441 825721 920855 503215 594646 458375 671734 663575 819790 1539393 842353 1413262 1179459 2045332 1824997 2074722 952729 875535 961804 949785 1483223 1175655 1870942 1037573 615871 1792356 1167759 1241463 1428635 3492588 1440296 2002347 1488516 1202229 862479 1134536 745899 452396 1210111 508472 1209596 806635 793097 818897 794561 807189 842990 777959 740863 766495 774498 746625 830251 776744 797378 815121 774836 Turanose isomer B 36911 26858 64349 81551 48486 40978 40899 22267 158451 188787 34243 72226 85822 141920 19965 89277 8898 9892 13347 15782 6339 7733 13691 24159 8569 6577 31841 64385 17798 5422 20232 14204 9501 19246 19850 10300 21957 24204 10957 19446 115331 101929 10654 34593 31048 28105 40720 37492 9805 172625 34344 38621 60725 64419 33903 50015 132517 163658 27675 34266 50423 81652 207507 65390 15773 24858 14358 188138 76282 129545 41287 24445 41987 82263 21533 16558 39690 42439 28935 46149 24551 135371 63992 76820 42384 40873 49907 61756 17764 54304 23675 122902 67008 64598 48782 69207 41011 45929 24962 13290 61163 27577 27199 49364 33856 65693 48700 74532 97133 105671 82025 37117 36223 77194 25086 62541 41167 16421 44781 59487 10432 173851 44571 62495 40948 140954 14874 46598 33110 60645 59880 35691 50625 45533 256280 33029 24798 130573 110372 55669 88991 33371 52590 163136 71647 34644 100148 50293 51231 22820 45386 25270 22019 66345 40640 90194 27200 47026 26808 384828 159123 193746 111581 173591 94894 84497 56862 219469 187371 198892 216139 167432 191277 71792 180509 Tyr-Leu 20188 13470 9687 100 2230 18591 2675 20308 50077 21762 31866 87154 49053 108013 99825 4785 13525 9296 3998 4256 11104 7411 7875 5595 1102 5046 10658 100 37813 1375 4709 37355 100 34629 18965 100 1577 24393 2074 2272 43471 28825 11133 40451 1907 100 63848 30094 9750 100 1979 100 100 3664 15061 100 100 73381 12701 100 100 4923 1892 100 100 878 100 4695 7598 1086 2179 7283 14906 72208 26119 3997 1003 3431 34813 1249 23184 47110 32995 24124 55788 21495 60323 26267 89810 155220 134302 2585 72647 16363 56885 32026 12057 1170 1800 23414 1421 100 14688 6545 25808 56674 36621 1096 100 873 25713 100 3476 1449 100 100 1878 1973 4513 100 100 100 23966 2248 17761 11362 100 21292 18362 33207 22389 14846 33959 49421 41112 21360 80012 62439 68326 7026 11493 90546 12354 21205 13055 21689 8324 3644 22693 8944 6616 60041 8153 28880 3604 1529 68863 5266 18565 7087 5327 5038 6177 5489 7514 4574 5151 5374 5626 5964 5171 4808 6468 3365 6371 UMP 30800 149062 44249 389648 328219 197319 75332 247015 196889 197967 245161 288853 181360 43025 215926 343840 226669 588873 134657 251620 467395 304025 563643 254377 630262 88486 375353 814223 260303 763857 701284 367660 126123 325563 389667 49463 82899 231357 153766 39751 330641 58834 102049 190881 48348 475271 235554 225533 766767 75936 100724 108410 174342 620643 733659 152740 599661 289386 383100 589215 180053 164972 370352 655489 67828 77078 33991 89586 172089 138941 53103 156050 130145 100113 96277 251868 262482 85488 69379 348832 241874 285035 49416 207610 155139 124700 22834 202105 70037 239499 106785 359693 221428 370868 211980 352786 66150 64973 40029 89624 65742 19768 91148 73296 45152 88189 74274 154479 153876 156004 84863 176033 40446 146684 142771 172332 96243 103077 178813 40702 666256 338058 290661 183920 200496 410690 124321 37389 52999 43059 53921 23007 78443 70070 81000 117793 80797 190483 58161 88726 74047 56697 111580 102563 60929 93275 39155 55842 83163 18414 26974 94983 81837 57366 308545 188476 92008 268221 145941 290743 284501 298993 294963 297964 300606 290993 289022 287348 290783 294636 289190 296295 289246 293472 290431 Uridine-5-diphosphoacetylgalactosamine 205130 295052 207464 222087 163224 337157 242657 225482 233014 273700 310714 201123 251944 191483 204113 240336 236817 221228 309326 215226 279895 246908 308232 214222 272617 258661 165659 300114 301317 270048 290500 191510 325195 243519 252134 267983 239943 233782 291048 175605 225540 123884 316832 188025 262511 235772 139472 227767 296431 212607 177609 229071 208397 268564 259917 191957 212337 181067 149606 208038 229362 256631 246594 204053 207746 281836 115240 179978 255492 336569 213426 206115 197748 148015 125479 229605 252072 253702 195567 204536 294619 300021 207172 310229 321891 295901 138085 320406 192308 255075 230733 205177 186193 280203 216133 261378 160096 137695 172182 245870 207002 104343 265628 267356 200791 185943 246973 218916 123988 259007 115734 240717 80664 327219 267652 211111 203387 303962 307869 174011 333055 296011 235120 188125 205043 183530 269689 236796 185623 166463 211892 91392 193475 221898 200446 241591 133675 226537 174691 259165 113482 219500 197983 217039 254313 203017 238589 218161 212651 123165 139051 149417 218525 243432 237176 218156 157328 236311 219053 285844 278439 286110 297087 286007 295192 293829 279167 292948 284867 284654 275866 290703 280717 289979 282149 Val-Arg 19452 29177 33957 29215 12825 28316 3455 56466 68716 81004 8383 89184 120694 171531 536729 90528 22765 112384 57310 55170 94641 50336 119894 50902 524940 87748 149800 190421 159447 610296 136615 300677 71119 101224 57707 59684 18750 69719 42016 47241 246104 357418 96857 756623 20306 147177 475751 121828 32995 24763 4407 7321 8762 23347 39739 41755 85367 308994 200443 93908 3383 62964 77969 67843 117927 96248 109945 48196 117130 84382 103501 66000 140976 220054 521410 194544 304141 79435 251702 233683 101238 98063 103321 55906 89858 113929 116680 115076 347682 354388 280834 120597 209085 417145 102876 134293 61263 98077 184309 115185 29513 176183 120912 63055 130019 349698 129805 217748 183287 227485 226064 296652 23736 49018 32489 25332 10260 14982 18760 30561 200413 39905 325561 56836 208719 114992 113423 111667 58333 116480 90774 109087 100623 142232 77973 61253 426038 143849 215562 222646 591221 367130 179345 111892 15364 102137 58343 34012 85081 114322 67251 164346 9373 136446 107538 105803 309273 133284 88975 6547 11639 10012 12606 11244 14268 9019 13098 11255 15438 12034 12979 12482 13712 13500 14533 Val-Gln 15693 30423 14446 20455 100 40574 24629 42663 24363 130478 13461 56734 84644 97787 447921 104734 10319 38667 27433 30902 30097 9308 38105 8402 304773 26993 52880 155017 70212 404191 66066 99144 61094 53760 35957 75835 28010 50794 28671 30213 316915 145129 110645 448925 33078 143376 158126 82740 61326 31571 6562 14339 6150 39578 45017 3821 139951 114931 140011 68130 11567 95986 62270 53214 44387 59642 54204 6536 113814 79754 56865 31767 209552 63663 347179 261300 219283 41482 210050 259668 69381 74891 50569 32374 50117 42386 47213 74465 177748 112626 76135 50150 69243 179482 43675 77975 22561 65222 94798 72981 9428 99135 55484 42950 49038 184557 69669 109916 123470 185701 133897 280028 37101 63920 26921 28516 17263 46442 63849 45832 178888 114495 127245 60240 74946 61082 87583 75989 12399 42884 39098 46300 43166 61947 27353 15393 115996 77056 82106 158102 166713 161842 84069 39470 4408 33921 25989 13220 27558 43190 26610 66938 18818 139070 106284 39630 144533 90575 76408 18882 21213 23882 21700 22664 20820 19926 24091 23354 22703 22518 11712 22449 23854 21966 24210 Val-His 7743 28133 8208 9821 100 29130 6973 35546 10147 51759 17992 42574 61203 33729 90488 39045 7046 52880 21727 5069 56015 27006 54937 9545 65407 22795 18791 17957 54223 7025 84474 45027 21833 43731 42070 17826 2617 22375 54890 7158 39565 54651 50296 59903 28054 39451 58285 28087 56534 3715 100 6076 100 29932 29923 3063 32353 45839 45083 100 6483 18450 22041 26242 27906 31751 25418 3416 54778 40043 18492 57446 42017 36353 63332 49173 22078 18854 50011 3263 45431 69815 25290 21933 23262 30360 29333 54511 154276 70375 45451 24974 65086 16464 36753 21656 21675 9562 35582 63405 5900 22266 31797 43760 34041 46277 60416 31890 24132 6724 46051 1674 4985 12009 100 2465 100 2934 100 9039 18513 4437 45808 3595 22589 19277 9616 41792 8382 36012 41678 25395 36509 44422 75390 30187 50121 57010 30417 9919 87541 60001 4924 44419 10782 41373 6973 7735 24288 13711 9755 37867 19900 53370 21977 8777 43489 10711 25093 7836 100 4600 3922 100 3303 3908 3196 4800 3290 3948 4679 100 4349 5295 100 Xanthine 816813 918723 859469 326547 229823 877157 983100 885983 432995 1043374 443380 726193 598224 689338 740181 313507 870726 207270 432710 580149 221186 277507 192181 393800 210531 492740 694812 253436 233631 242627 114660 225252 1010452 677636 473727 930981 1511560 699065 949166 1039385 595218 807984 999636 874540 1035753 613400 635639 677777 285128 1231132 662854 790912 823635 309528 238280 488484 273134 493539 443344 298798 562567 472482 479494 251104 1008778 1089338 1391714 633110 927509 1803350 689100 513639 538046 677679 793728 689897 824347 760249 455121 736737 668972 509132 805761 405591 622431 426624 912725 659317 955025 310979 790277 327036 244187 608197 461762 333756 878839 792517 1662561 1513723 494051 1477573 1222447 882261 1302101 506791 369228 994052 1446741 1286244 1127610 1036638 3384114 1787404 1371014 2058938 1180336 1652865 2313017 2734445 2504932 2055518 2492769 1817448 1634222 2853324 1854886 950182 570846 579813 555605 1165841 944846 984297 470398 433023 392974 329623 914431 813442 700880 749318 708520 1071067 750154 829471 807040 607193 985895 1864497 979459 914592 721659 846897 465149 539331 946732 591241 459775 426643 429158 435099 453472 433305 434071 441941 447412 434583 432369 442189 453469 441475 443305 437575 424861 alpha-Galactosamine-1-phosphate 69079 85847 54599 15844 27720 163835 128045 165675 102015 178331 142766 144832 118957 131142 194057 178213 113678 165938 92493 120151 180080 104765 109486 69652 190157 131087 291976 226137 39911 266451 133673 258572 97097 255602 157612 120104 138853 237179 89491 148467 369242 206470 146257 378101 182884 319676 239054 99363 174186 170251 22870 91202 95637 184797 117603 74262 185237 172405 339444 182709 132556 49507 188373 170097 105174 89514 122805 30787 161081 218363 99695 43028 49505 114220 247524 229049 217762 86796 47085 275609 118377 99697 52195 33556 105822 70185 77970 44467 158864 161015 126565 45180 68825 147927 60052 99768 81382 121745 147821 144067 16693 191205 178528 126094 124512 173638 33167 195560 178997 137131 240507 167693 216267 145833 52959 80159 62496 214072 204954 131832 392677 327919 552127 297459 245584 430660 175572 105169 31635 49789 26181 76754 147388 120940 45654 63785 53075 71312 128215 89979 469722 130633 106629 162873 77474 126030 49470 27922 87027 162383 103048 163450 39059 123347 184134 117166 196364 97773 92826 119548 126920 103574 120578 120778 112902 121321 118869 116446 129486 127081 129068 106571 121485 115397 117121 alpha-Lonone or beta-Damascone 1568132 550010 956614 2134668 1076514 494655 694846 402843 540790 679941 653960 872646 773480 579425 721189 730589 2159496 717441 2225325 976650 642479 896450 870844 2306490 870218 610991 833396 1174977 678561 1080529 737200 706352 777631 509781 791989 1234789 618150 669497 1470238 854399 777026 618815 710759 492521 1210683 1038905 660029 976758 754191 859925 2106752 2420345 2520338 1057578 679317 936675 1419421 489669 766663 876252 2101169 813345 646414 731732 587600 1315863 677927 2192015 1332041 579554 783830 639396 1005396 556397 554894 793988 1102099 887207 654850 893611 547709 644290 1591023 2348062 484188 1512607 913641 1323097 925774 635335 546325 732742 575420 996443 633434 1003506 749202 774065 751246 527105 3004488 893001 585603 707094 814317 674643 736347 1166618 756909 975650 631374 944595 1102091 1284126 683310 852117 2154759 716354 955076 1091682 977423 1104183 713444 1073955 651961 600851 827436 2122614 753790 1933859 1955768 814131 513388 894248 666458 626843 531559 814984 546811 1340990 3319223 545454 758471 520329 2013401 808071 1579032 1170068 572662 556519 1047775 407124 526445 615142 552766 810348 677647 791125 714166 1007940 1041288 761826 921352 846482 864186 865062 703442 830386 835592 785852 732940 564490 681126 604643 742546 beta-Nicotinamide adenine dinucleotide 33659 123773 68950 26503 115060 58109 101654 84424 46753 141764 309041 98696 126825 22149 105713 120478 5301 69296 62186 20102 50045 26692 39548 32595 100 40269 17042 32457 26401 3231 3852 30077 102424 105733 130811 83973 47432 80905 151022 74303 16069 97699 80952 144288 56038 85569 128126 59567 20474 13998 6105 5286 1908 13612 29670 12033 100 5929 11226 100 7715 7518 4724 1877 11087 15886 11278 44863 14525 5673 22987 8832 8925 7668 8554 4038 5783 27920 14352 2175 14257 25574 3487 19544 19624 8668 2575 11369 1869 24389 19803 100 3741 2729 7690 1651 22028 11092 38410 36806 6985 19230 13659 16380 14534 2512 13085 3168 1831 100 18271 4841 20213 114414 34852 83000 78737 74103 76215 33079 2584 9793 90537 16046 71648 57955 47246 4223 8862 5835 8065 1745 26391 9362 12699 8882 7172 15046 8442 100 100 15546 100 16362 5920 20715 15766 6289 21396 41306 18886 23577 54011 24107 100 2071 57746 2971 30675 66250 67405 78806 74899 73285 71750 72398 74638 82208 69423 81871 80684 77522 77037 70609 77020 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Pubchem CID Average Mz Average Rt(min) (-)-N-Acetylneuraminic acid 14017587 274 8 (2R)-3-Hydroxyisovaleroylcarnitine 131668011 262 7 (3-Carboxypropyl)trimethylammonium cation 134 146 8 .gamma.-Aminobutyric acid 119 86 8 1,5-Hexadien-3-ol 79122 81 1 1,5-Pentanediamine 273 86 7 10-Hydroxy-2-decenoic acid 5312738 133 1 13-Keto-9Z,11E-octadecadienoic acid 6446027 295 1 1-Cycloheptyl-4-piperidinamine 4778241 180.1748_163.1482 1 1-Methylnicotinamide 457 137 6 2,5-Hexanedione 8035 115 1 2,6-Diaminopimelic acid 865 191 8 2’-deoxyadenosine 6303 252 4 2-Acetylpyrazine 30914 123 8 2-Amino-1-phenylethanol 1000 120.0808_103.0542 7 2-Aminoethanethiol 118985556 78 2 2-Arachidonoylglycerol 5282280 361 7 2-Benzothiazolesulfonic acid 30647 233.0051_215.9784 1 2'-Deoxycytidine 13711 228 6 2-Methoxy-4-vinylphenol 332 151 9 2'-O-Methylguanosine 135406950 298 6 2-Pyridone 8871 96 2 2S-Amino-4E-octadecene-1,3S-diol 11130338 300.2902_282.2797 5 3-Dehydrocarnitine 6991982 116 3 3-Hydroxybutyrylcarnitine 90659885 248 8 3-Methoxytyramine 1669 151 5 3-Methylcrotonylglycine 169485 158 3 3-Methylcytidine 14237477 258 7 3-Methylhistidine 64969 170 9 3'-O-Methylguanosine 135742509 298 6 3alpha-Galactobiose 16219440 365 9 3'-alpha-Sialyl-N-acetyllactosamine 102247004 657 8 4-Acetylbutyric acid 18407 131 1 4-Aminobenzoic acid 978 138 7 4-Guanidinobutyric acid 500 146 8 4-Hydroperoxy-2-nonenal 6435432 155 1 4-Hydroxyhexenal 5283314 97 1 4-Hydroxymandelonitrile 166768 150 3 4-Hydroxynonenal alkyne 71684698 135 1 4-Imidazoleacrylic acid 736715 139 4 4-Imidazoleacrylic acid isomer 736715 121 2 5.beta.-Dihydrotestosterone 15 291 1 5-Methoxytryptophol 12835 192 1 5'-Methylthioadenosine 439176 298 2 5'-Methylthioadenosine isomer 439176 298 3 5alpha-Cholest-7-en-3beta-ol 65728 369 1 5beta-Androstane-3alpha,17beta-diol 134494 275 1 9(10)-Epoxy-12Z-octadecenoic acid 12097313 297 1 9-Oxo-10E,12Z-octadecadienoic acid 9839084 295 1 Abietic acid 10569 257 1 Acetyl-choline 187 146 3 Adenosine 60961 268 5 Adenosine isomer 60961 268 5 Adenosine monophosphate 6083 348 9 Ala-Gln 123935 218 9 Ala-Ile 7408078 203 8 Alanine 7311724 90 8 Ala-Ser 1549432 177 9 Aminophenol 5801 110 2 Androstane-3,17-diol 11301 293 1 Arg-Ala 7020333 246 10 Arg-Asp 7009612 290 10 Arg-Glu 6995004 304 10 Arginine isomer 28782 175 10 Argininosuccinic acid 136664755 291 10 Arg-Thr 25109623 276 10 Arg-Val 6992654 274 9 Asn-Arg 14299174 289 10 Asparagine 6267 133 9 Benzyl alcohol 244 91 1 Betaine 247 235.1653_118.0861 7 Butyrylcarnitine or Isobutyrylcarnitine 213144 232 6 Carnitine 10917 162 8 Carnosine 6992100 210.0875_249.0962_227.1139 10 Carnosine isomer B 6992100 227 9 Choline 305 104 5 Citrulline 9750 176.1031_159.0765 9 Creatine 586 132.0768_263.1466 8 Creatine isomer 586 263.1466_132.0768 8 Cyclohexanamine 7965 100 5 Cys-Asn 10328966 236 8 Cys-Pro 3037777 219 3 Cysteine-glutathione disulfide 4247235 427 10 Cytidine 5'-diphosphate ethanolamine 123727 447 10 Cytidine 5'-diphosphocholine 11583971 489 10 Cytidine-5'-monophosphate 6131 324 10 Dexpanthenol 4678 206 2 Diethanolamine 8113 106 7 DMSO 679 79 2 Dopamine 681 154 6 Epigallocatechin 72277 307 10 Ergothioneine 57509571 230 8 Erythro-Sphinganine 91486 302 5 Erythro-Sphinganine-1-phosphate 644260 382 6 Erythro-Sphingosine-1-phosphate 5283560 380 6 Ethyldiethanolamine 13418631 134 6 gamma-Aminobutyric Acid (GABA) 119 104.0706_87.0441 8 gamma-Glutamylglutamine isomer B 150914 276 9 gamma-Glutamylleucine 151023 261 8 Gln-Ala 9813211 218 9 Gln-Gln 7010588 275 9 Gln-Gly 6992691 204 9 Glutamic acid isomer A 44272391 148 9 Glutamic acid isomer B 57397101 148 10 Glutamine 5961 147.0765_130.05 9 Glutamine isomer 6992096 147 9 Glutathione (oxidized) 65359 613 10 Glutathione (reduced) 124886 308 9 Gly-Arg 6426706 232 10 Glycerol tricaprylate 10850 488 1 Glycerophosphocholine isomer A 657272 772.3161_537.195_515.213_280.0922_296.0663 9 Glycerophosphocholine isomer B 657272 258 8 Glycine 5257127 76 8 Gly-Lys 3080576 204 10 Guanosine 5'-monophosphate 135398631 386.0474_364.0654 10 Hexanoyl-carnitine 3246938 260 5 Hexose phosphate isomer A 65127 283 10 Hexose phosphate isomer B 65127 243 10 Hexose phosphate isomer D 5958 261 10 H-gamma-glutamyl-glutamine 150914 276 10 His-Gly 101179 213 10 His-Pro 152322 235 6 Histamine 774 112.0869_95.0604 8 Histidine isomer A 6274 156 10 Histidine isomer B 6274 156 10 His-Val 7021870 255 9 Homoarginine 9085 189 9 Homocysteine 6971015 136 8 Ile-Arg 7021814 288 9 Ile-Pro-Arg 18221866 385 9 Inosine 5'-monophosphate isomer 135398640 697.1018_349.0546 9 Isoleucine 6306 132 7 Isovaleryl-carnitine 169235 246 5 Lacto-N-biose 440994 384 9 Laminine 159659 189 9 Leu-Leu 6992072 245 6 Lidocaine 3676 235 2 Lys-Ala 7010504 218 10 Lys-Gln 196305 275 10 Lys-Glu 7010501 276 10 Lys-Ile 7010499 260 9 Lysine 122198194 147.1128_130.0863 10 Malonyl-carnitine 131770465 248 9 Methacholine cation 1993 160 6 Methionine 6992087 150.0585_133.0319 7 Methylhistamine 3614 126.1027_109.0761 7 N,N-Dimethylarginine 17801140 203 9 N.alpha.-Acetyl-lysine 92907 189 8 N.epsilon.-Methyl-lysine 541646 161.1284_144.1019 9 N8-Acetylspermidine 123689 188 9 N-Acetylaspartylglutamic acid 5255 305.0982_327.0803 8 N-Acetyl-glucosamine 82313 204.0869_138.055 10 N-Acetyl-lactosamine 119547 406 8 N-Acetylmethionine 6180 192 3 N-Cyclohexylformamide 13017 128 1 Neoabietic acid 221118 257 1 Nicotinamide 936 123 2 Nicotinamide riboside cation 439924 255 7 Nicotine 89594 163 5 N-Methylalanine 119 104.0706_87.044 8 N-Methylanthranilic acid 67069 152 1 N-Methylglutamic acid 268779 162 8 N-Methylhistidine 90638 170 9 N-Methylvaline 4378 132 7 n-Octadecylamine 15793 270 2 N-omega-Acetylhistamine 69602 154 6 N-alpha-Acetyl-ornithine 439232 175 8 N-alpha-Methyl-lysine 7010497 144 7 O,O-Diethyl phosphate 654 155 1 Oleamide isomer 5283387 282 1 Oleoyl ethylamide 44270319 310 1 o-Phosphocolamine 1015 142 9 Ornithine 88747248 133 10 Palmitamide isomer A 69421 256 1 Palmitamide isomer B 69421 256 2 Palmitoyl ethanolamide 4671 300 1 Pantothenic acid 6613 220 4 Pantothenic acid isomer A 988 202.1075_220.1181 3 Pantothenic acid isomer B 988 220 4 Phe-Arg 150903 322 9 Phe-Lys 15607820 294 9 Phencyclidine 6468 244 1 Phenethylamine 1001 122 2 Phosphocholine 135437 184 9 Phosphocholine isomer 135437 367 9 Pro-Ala 6347578 187 8 Pro-Asn 7408193 230 9 Pro-Gln 7408109 244 9 Prolinamide isomer A 111306 115 7 Prolinamide isomer B 111306 115 10 Proline 6971047 116 8 Proline betaine 554 144 7 Pro-Met 7408173 247 7 Propionylcarnitine 107738 218 6 P-Toluenesulfonic acid 20307553 173 9 Putrescine 1045 89.1073_72.0809 9 Pyridoxamine 1052 169 8 Pyroglutamic acid isomer 7405 147.0763_130.0498 9 S-Adenosyl-homocysteine 25246222 385 9 S-Adenosyl-methionine 34755 399 10 Ser-Ala 7009579 177 9 Ser-Arg 25216635 262 10 Serine 6857581 106 9 Ser-Lys 16122513 234 10 sn-Glycero-3-phosphocholine 439285 258 9 Spermidine 1102 146 7 Stachydrine isomer 554 144 10 Stearamide isomer A 31292 284 1 Stearamide isomer B 31292 284 2 Stearoyl ethanolamide 27902 328 1 Sucrose isomer A 5988 365 8 Sucrose isomer B 5988 365 9 Swainsonine 51683 174 6 Targinine 132862 189 9 Taurine 4068592 126 8 Thiamine cation 1130 265 7 Thr-Gln 88297548 248 9 Thr-Pro-Arg 18224444 373 9 Thr-Thr 11321969 221 9 Thymol 6989 151 1 TMAO 1145 76 5 trans-Nicotine-1'-oxide isomer A 71751018 179 6 Tributylamine 7622 186 2 Triethanolamine 7618 150 6 Triethyl citrate 6506 299.1101_277.1284 1 Tripropylamine 7616 144 2 Tryptophan isomer 4099458 188 7 Turanose isomer B 5460935 360.1502_325.1128 8 Tyr-Leu 87071 295 7 UMP 6030 325 9 Uridine-5-diphosphoacetylgalactosamine 23700 608 10 Val-Arg 444523 274 9 Val-Gln 54493101 246 8 Val-His 7408625 255 9 Xanthine 1188 153 6 alpha-Galactosamine-1-phosphate 493587 260 7 alpha-Lonone or beta-Damascone 5282108 193.1589_175.1484 1 beta-Nicotinamide adenine dinucleotide 127255362 664 10 METABOLITES_END #END