#METABOLOMICS WORKBENCH nsouthwell_20240306_164620 DATATRACK_ID:4691 STUDY_ID:ST003128 ANALYSIS_ID:AN005128
VERSION 1
CREATED_ON 03-22-2024
#PROJECT
PR:PROJECT_TITLE High fat diet ameliorates mitochondrial cardiomyopathy in CHCHD10 mutant mice
PR:PROJECT_SUMMARY Mutations in CHCHD10, a mitochondrial protein with undefined functions, are
PR:PROJECT_SUMMARY associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice
PR:PROJECT_SUMMARY harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L)
PR:PROJECT_SUMMARY develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and
PR:PROJECT_SUMMARY proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts,
PR:PROJECT_SUMMARY mtISR is accompanied by a metabolic rewiring characterized by increased reliance
PR:PROJECT_SUMMARY on glycolysis rather than fatty acid oxidation. To counteract this metabolic
PR:PROJECT_SUMMARY rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD)
PR:PROJECT_SUMMARY to decrease insulin sensitivity and glucose uptake and enhance fatty acid
PR:PROJECT_SUMMARY utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant
PR:PROJECT_SUMMARY hearts and significantly extended the survival of mutant female mice affected by
PR:PROJECT_SUMMARY severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that
PR:PROJECT_SUMMARY HFD increased fatty acid utilization and ameliorated cardiomyopathy markers.
PR:PROJECT_SUMMARY Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L
PR:PROJECT_SUMMARY heart, suggesting activation of quality control mechanisms. Overall, our
PR:PROJECT_SUMMARY findings indicate that metabolic therapy can be effective in mitochondrial
PR:PROJECT_SUMMARY cardiomyopathies associated with proteotoxic stress.
PR:INSTITUTE Weill Cornell Medicine
PR:LAST_NAME Southwell
PR:FIRST_NAME Nneka
PR:ADDRESS 407 E 61st St
PR:EMAIL nns4001@med.cornell.edu
PR:PHONE 646-962-8172
PR:DOI http://dx.doi.org/10.21228/M8FD9G
#STUDY
ST:STUDY_TITLE Effect of high fat diet on serum fatty acids, lipidome and metabolome in CHCHD10
ST:STUDY_TITLE mutant mice
ST:STUDY_SUMMARY Mutations in CHCHD10, a mitochondrial protein with undefined functions, are
ST:STUDY_SUMMARY associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice
ST:STUDY_SUMMARY harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L)
ST:STUDY_SUMMARY develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and
ST:STUDY_SUMMARY proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts,
ST:STUDY_SUMMARY mtISR is accompanied by a metabolic rewiring characterized by increased reliance
ST:STUDY_SUMMARY on glycolysis rather than fatty acid oxidation. To counteract this metabolic
ST:STUDY_SUMMARY rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD)
ST:STUDY_SUMMARY to decrease insulin sensitivity and glucose uptake and enhance fatty acid
ST:STUDY_SUMMARY utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant
ST:STUDY_SUMMARY hearts and significantly extended the survival of mutant female mice affected by
ST:STUDY_SUMMARY severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that
ST:STUDY_SUMMARY HFD increased fatty acid utilization and ameliorated cardiomyopathy markers.
ST:STUDY_SUMMARY Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L
ST:STUDY_SUMMARY heart, suggesting activation of quality control mechanisms. Overall, our
ST:STUDY_SUMMARY findings indicate that metabolic therapy can be effective in mitochondrial
ST:STUDY_SUMMARY cardiomyopathies associated with proteotoxic stress.
ST:INSTITUTE Weill Cornell Medicine
ST:LAST_NAME Southwell
ST:FIRST_NAME Nneka
ST:ADDRESS 407 E 61st St
ST:EMAIL nns4001@med.cornell.edu
ST:PHONE 646-962-8172
ST:SUBMIT_DATE 2024-03-06
#SUBJECT
SU:SUBJECT_TYPE Mammal
SU:SUBJECT_SPECIES Mus musculus
SU:TAXONOMY_ID 10090
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS HetCD_1 S_HetCD_1 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetCD_1.raw
SUBJECT_SAMPLE_FACTORS HetCD_2 S_HetCD_2 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetCD_2.raw
SUBJECT_SAMPLE_FACTORS HetCD_3 S_HetCD_3 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetCD_3.raw
SUBJECT_SAMPLE_FACTORS HetCD_4 S_HetCD_4 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetCD_4.raw
SUBJECT_SAMPLE_FACTORS HetCD_5 S_HetCD_5 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetCD_5.raw
SUBJECT_SAMPLE_FACTORS HetCD_6 S_HetCD_6 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetCD_6.raw
SUBJECT_SAMPLE_FACTORS HetCD_1 SL_HetCD_1 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetCD_1.raw
SUBJECT_SAMPLE_FACTORS HetCD_2 SL_HetCD_2 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetCD_2.raw
SUBJECT_SAMPLE_FACTORS HetCD_3 SL_HetCD_3 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetCD_3.raw
SUBJECT_SAMPLE_FACTORS HetCD_4 SL_HetCD_4 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetCD_4.raw
SUBJECT_SAMPLE_FACTORS HetCD_5 SL_HetCD_5 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetCD_5.raw
SUBJECT_SAMPLE_FACTORS HetCD_6 SL_HetCD_6 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetCD_6.raw
SUBJECT_SAMPLE_FACTORS HetCD_1 SP_HetCD_1 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetCD_1.raw
SUBJECT_SAMPLE_FACTORS HetCD_2 SP_HetCD_2 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetCD_2.raw
SUBJECT_SAMPLE_FACTORS HetCD_3 SP_HetCD_3 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetCD_3.raw
SUBJECT_SAMPLE_FACTORS HetCD_4 SP_HetCD_4 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetCD_4.raw
SUBJECT_SAMPLE_FACTORS HetCD_5 SP_HetCD_5 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetCD_5.raw
SUBJECT_SAMPLE_FACTORS HetCD_6 SP_HetCD_6 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetCD_6.raw
SUBJECT_SAMPLE_FACTORS HetHFD_1 S_HetHFD_1 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetHFD_1.raw
SUBJECT_SAMPLE_FACTORS HetHFD_2 S_HetHFD_2 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetHFD_2.raw
SUBJECT_SAMPLE_FACTORS HetHFD_3 S_HetHFD_3 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetHFD_3.raw
SUBJECT_SAMPLE_FACTORS HetHFD_4 S_HetHFD_4 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetHFD_4.raw
SUBJECT_SAMPLE_FACTORS HetHFD_5 S_HetHFD_5 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetHFD_5.raw
SUBJECT_SAMPLE_FACTORS HetHFD_6 S_HetHFD_6 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_HetHFD_6.raw
SUBJECT_SAMPLE_FACTORS HetHFD_1 SL_HetHFD_1 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetHFD_1.raw
SUBJECT_SAMPLE_FACTORS HetHFD_2 SL_HetHFD_2 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetHFD_2.raw
SUBJECT_SAMPLE_FACTORS HetHFD_3 SL_HetHFD_3 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetHFD_3.raw
SUBJECT_SAMPLE_FACTORS HetHFD_4 SL_HetHFD_4 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetHFD_4.raw
SUBJECT_SAMPLE_FACTORS HetHFD_5 SL_HetHFD_5 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetHFD_5.raw
SUBJECT_SAMPLE_FACTORS HetHFD_6 SL_HetHFD_6 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_HetHFD_6.raw
SUBJECT_SAMPLE_FACTORS HetHFD_1 SP_HetHFD_1 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetHFD_1.raw
SUBJECT_SAMPLE_FACTORS HetHFD_2 SP_HetHFD_2 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetHFD_2.raw
SUBJECT_SAMPLE_FACTORS HetHFD_3 SP_HetHFD_3 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetHFD_3.raw
SUBJECT_SAMPLE_FACTORS HetHFD_4 SP_HetHFD_4 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetHFD_4.raw
SUBJECT_SAMPLE_FACTORS HetHFD_5 SP_HetHFD_5 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetHFD_5.raw
SUBJECT_SAMPLE_FACTORS HetHFD_6 SP_HetHFD_6 Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_HetHFD_6.raw
SUBJECT_SAMPLE_FACTORS WTCD_1 SL_WTCD_1 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTCD_1.raw
SUBJECT_SAMPLE_FACTORS WTCD_2 SL_WTCD_2 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTCD_2.raw
SUBJECT_SAMPLE_FACTORS WTCD_3 SL_WTCD_3 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTCD_3.raw
SUBJECT_SAMPLE_FACTORS WTCD_4 SL_WTCD_4 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTCD_4.raw
SUBJECT_SAMPLE_FACTORS WTCD_5 SL_WTCD_5 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTCD_5.raw
SUBJECT_SAMPLE_FACTORS WTCD_6 SL_WTCD_6 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTCD_6.raw
SUBJECT_SAMPLE_FACTORS WTCD_1 SP_WTCD_1 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTCD_1.raw
SUBJECT_SAMPLE_FACTORS WTCD_2 SP_WTCD_2 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTCD_2.raw
SUBJECT_SAMPLE_FACTORS WTCD_3 SP_WTCD_3 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTCD_3.raw
SUBJECT_SAMPLE_FACTORS WTCD_4 SP_WTCD_4 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTCD_4.raw
SUBJECT_SAMPLE_FACTORS WTCD_5 SP_WTCD_5 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTCD_5.raw
SUBJECT_SAMPLE_FACTORS WTCD_6 SP_WTCD_6 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTCD_6.raw
SUBJECT_SAMPLE_FACTORS WTCD_1 S_WTCD_1 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTCD_1.raw
SUBJECT_SAMPLE_FACTORS WTCD_2 S_WTCD_2 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTCD_2.raw
SUBJECT_SAMPLE_FACTORS WTCD_3 S_WTCD_3 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTCD_3.raw
SUBJECT_SAMPLE_FACTORS WTCD_4 S_WTCD_4 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTCD_4.raw
SUBJECT_SAMPLE_FACTORS WTCD_5 S_WTCD_5 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTCD_5.raw
SUBJECT_SAMPLE_FACTORS WTCD_6 S_WTCD_6 Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTCD_6.raw
SUBJECT_SAMPLE_FACTORS WTHFD_1 SL_WTHFD_1 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTHFD_1.raw
SUBJECT_SAMPLE_FACTORS WTHFD_2 SL_WTHFD_2 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTHFD_2.raw
SUBJECT_SAMPLE_FACTORS WTHFD_3 SL_WTHFD_3 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTHFD_3.raw
SUBJECT_SAMPLE_FACTORS WTHFD_4 SL_WTHFD_4 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTHFD_4.raw
SUBJECT_SAMPLE_FACTORS WTHFD_5 SL_WTHFD_5 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTHFD_5.raw
SUBJECT_SAMPLE_FACTORS WTHFD_6 SL_WTHFD_6 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SL_WTHFD_6.raw
SUBJECT_SAMPLE_FACTORS WTHFD_1 SP_WTHFD_1 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTHFD_1.raw
SUBJECT_SAMPLE_FACTORS WTHFD_2 SP_WTHFD_2 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTHFD_2.raw
SUBJECT_SAMPLE_FACTORS WTHFD_3 SP_WTHFD_3 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTHFD_3.raw
SUBJECT_SAMPLE_FACTORS WTHFD_4 SP_WTHFD_4 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTHFD_4.raw
SUBJECT_SAMPLE_FACTORS WTHFD_5 SP_WTHFD_5 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTHFD_5.raw
SUBJECT_SAMPLE_FACTORS WTHFD_6 SP_WTHFD_6 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=SP_WTHFD_6.raw
SUBJECT_SAMPLE_FACTORS WTHFD_1 S_WTHFD_1 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTHFD_1.raw
SUBJECT_SAMPLE_FACTORS WTHFD_2 S_WTHFD_2 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTHFD_2.raw
SUBJECT_SAMPLE_FACTORS WTHFD_3 S_WTHFD_3 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTHFD_3.raw
SUBJECT_SAMPLE_FACTORS WTHFD_4 S_WTHFD_4 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTHFD_4.raw
SUBJECT_SAMPLE_FACTORS WTHFD_5 S_WTHFD_5 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTHFD_5.raw
SUBJECT_SAMPLE_FACTORS WTHFD_6 S_WTHFD_6 Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F RAW_FILE_NAME(Raw File Name)=S_WTHFD_6.raw
#COLLECTION
CO:COLLECTION_SUMMARY Blood was collected by cheek bleeds into serum separator tubes. Serum was
CO:COLLECTION_SUMMARY separated after 30 minutes of clotting at room temperature and centrifugation at
CO:COLLECTION_SUMMARY 2000xg for 15 min.
CO:SAMPLE_TYPE Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY CHCHD10 WT and CHCHD10 S55L heterozygous mice were treated with either a control
TR:TREATMENT_SUMMARY diet (70% Carbohydrate, 20% Protein, 10% Fat) or High Fat Diet (60% Fat, 20%
TR:TREATMENT_SUMMARY Protein, 20% Carbohydrate).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Untargeted and targeted metabolomics: Serum metabolites were extracted with 80%
SP:SAMPLEPREP_SUMMARY methanol. The extracts were clarified by centrifugation at 15,000 g for 10 min.
SP:SAMPLEPREP_SUMMARY The supernatant was collected and dried down using a SpeedVac. For lipidomics
SP:SAMPLEPREP_SUMMARY analyses: 180 µl of 90% isopropanol was added to 20 µl serum. Samples were
SP:SAMPLEPREP_SUMMARY vortexed for 2 min, sonicated for 1 min using a probe sonicator and centrifuged
SP:SAMPLEPREP_SUMMARY at 15,000 g for 10 min. The supernatant was collected and dried down using a
SP:SAMPLEPREP_SUMMARY SpeedVac. The dried samples were reconstituted using
SP:SAMPLEPREP_SUMMARY acetonitrile/isopropanol/water 65:30:5 containing stable isotope labeled
SP:SAMPLEPREP_SUMMARY internal lipid standards (Splash Lipidomix, Avanti Polar Lipids) prior to LC-MS
SP:SAMPLEPREP_SUMMARY analysis. Free Fatty Acids: Free fatty acids were extracted from serum using 90%
SP:SAMPLEPREP_SUMMARY methanol (LC/MS grade, Thermo Scientific). The extracts were clarified by
SP:SAMPLEPREP_SUMMARY centrifugation at 15,000 g for 10 min. The supernatant was collected and dried
SP:SAMPLEPREP_SUMMARY down using a SpeedVac. The dried sample was reconstituted using 50% methanol
SP:SAMPLEPREP_SUMMARY prior to LC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY Serum targeted and untargeted metabolomics
CH:METHODS_FILENAME Serum_MS_and_Data_Analysis.pdf
CH:INSTRUMENT_NAME Thermo Vanquish
CH:COLUMN_NAME SeQuant ZIC-pHILIC (150 x 2.1mm, 5um)
CH:COLUMN_TEMPERATURE 35
CH:FLOW_GRADIENT 85% to 30% A in 20 min followed by a wash with 30% A and re-equilibration at 85%
CH:FLOW_GRADIENT A
CH:FLOW_RATE 150 µl/min
CH:SOLVENT_A 100% acetonitrile
CH:SOLVENT_B 100% water; 0.1% ammonium hydroxide; 20 mM ammonium acetate
CH:CHROMATOGRAPHY_TYPE HILIC
#ANALYSIS
AN:ANALYSIS_TYPE MS
AN:ANALYSIS_PROTOCOL_FILE Serum_MS_and_Data_Analysis.pdf
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:MS_COMMENTS The MS data was processed using XCalibur 4.1 (Thermo Scientific) to obtain the
MS:MS_COMMENTS metabolite signal intensity for relative quantitation. Targeted identification
MS:MS_COMMENTS was available for 205 metabolites based on an in-house library established using
MS:MS_COMMENTS known chemical standards. Identification required exact mass (within 5ppm) and
MS:MS_COMMENTS standard retention times. For untargeted metabolomics, metabolites were
MS:MS_COMMENTS identified by mass matching of the MS signal to metabolites in the HMDB
MS:MS_COMMENTS database. If multiple metabolites in the database were matched to a certain MS
MS:MS_COMMENTS signal, all matched metabolites were grouped into a single identification, and
MS:MS_COMMENTS ordered based on the number of references included in the HMDB database (high to
MS:MS_COMMENTS low).
MS:ION_MODE UNSPECIFIED
MS:MS_RESULTS_FILE ST003128_AN005128_Results.txt UNITS:Peak Intensity
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Peak Intensity
MS_METABOLITE_DATA_START
Samples SP_HetCD_1 SP_HetCD_2 SP_HetCD_3 SP_HetCD_4 SP_HetCD_5 SP_HetCD_6 SP_HetHFD_1 SP_HetHFD_2 SP_HetHFD_3 SP_HetHFD_4 SP_HetHFD_5 SP_HetHFD_6 SP_WTCD_1 SP_WTCD_2 SP_WTCD_3 SP_WTCD_4 SP_WTCD_5 SP_WTCD_6 SP_WTHFD_1 SP_WTHFD_2 SP_WTHFD_3 SP_WTHFD_4 SP_WTHFD_5 SP_WTHFD_6
Factors Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:CHCHD10 S55L Het | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:Control Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F Sample source:Serum | Genotype:WT | Treatment:High Fat Diet | Age (d):250 | Sex:F
11_12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha_3beta_15beta)-16-Kaurene-2_3_15-triol;8alpha_13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha_3beta_15beta_16beta)-15_16-Epoxy-2_3-kauranediol;Annoglabasin E;10-HETE;14R_15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z_9E_11Z_14Z-eicosatetraenoic acid;11_12-EpETrE;7-HETE;12S-hydroxy-5E_8Z_10Z_14Z-eicosatetraenoic acid;15R-hydroxy-5Z_8Z_11Z_13E-eicosatetraenoic acid;18-Hydroxy-5Z_8Z_11Z_14Z-eicosatetraenoic acid;19(S)-HETE;14_15-Epoxy-5_8_11-eicosatrienoic acid;5_6-Epoxy-8_11_14-eicosatrienoic acid;8_9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12_15-Epoxy-13_14-dimethyloctadeca-10_12_14-trienoic acid;12_15-Epoxy-13_14-dimethyloctadeca-12_14_16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acid 69905.3969 136125.4911 663376.7699 266071.2197 664097.7318 462974.7428 1197056.2710 3677855.1250 10000389.8600 1232968.7660 1240311.6640 2586171.4890 164352.4483 327668.2683 735521.7302 1242727.0450 452727.0135 581137.4719 980718.3896 1502562.6130 453083.0245 2606940.2850 812674.4799 1277347.7050
1_11-Undecanedicarboxylic acid;(±)-1_4-Nonanediol diacetate;Menthyl ethylene glycol carbonate 1754161.6370 1744161.4300 379396.0738 327950.4678 342600.2131 359882.1564 400752.1020 418275.0208 454438.4869 470009.1637 744811.9414 302989.8302 296773.1041 1310089.2570 1568666.0510 1381940.4960 382631.1420 305907.5534 380637.8093 453377.7656 329983.7601 314317.6607 287538.5585 364942.6882
1_11-Undecanedicarboxylic acid;Menthyl ethylene glycol carbonate;(±)-1_4-Nonanediol diacetate 748817.5292 704332.1333 237784.0103 221059.1707 249085.7099 225918.6027 244564.5838 229907.6255 297331.8052 242982.7940 297535.5662 186365.3532 209348.9393 512105.5391 558074.3662 517373.4044 250992.7819 206210.4161 257519.0460 268566.9551 236206.2451 217871.1501 187762.9878 233228.2550
1_2_3-Propanetricarboxylic acid;D-Glucurono-6_3-lactone 2688726.0640 395233.5371 1048846.5260 4728903.9860 84917.0014 54944.3682 128340.0087 10870.2610 9949.3248 13904.1220 13216.5220 3283.6923 1735818.8150 12867220.9700 8226715.0580 10355.3863 33416067.6300 16332542.6600 559376.9937 10910.9997 325254.5162 13737.3865 1212052.6110 15055.9643
1_2_3-Propanetricarboxylic acid;D-Glucurono-6_3-lactone.2 1544613.9090 321221.0255 369471.8914 530035.0130 405775.4956 187007.9261 264604.1885 310085.5776 121488.1895 428410.0349 428589.7077 101837.8732 640080.5331 529838.8920 764375.9775 1128110.8490 516829.9148 820816.2897 113571.2078 278824.0506 136339.3160 142471.8867 494833.6298 162542.7895
1_3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indoxyl;(±)-2-Hydroxy-2-phenylacetonitrile;4-Hydroxybenzeneacetonitrile;2-Methyl-4_5-benzoxazole;Mandelonitrile 670468.6438 649565.9861 726313.5380 736243.4482 936478.0293 511528.3546 1161489.2570 777170.8375 1190920.9450 980116.6716 406415.1749 371102.9322 644326.4857 614603.5378 154211.0976 179119.8923 1010751.6930 587545.2063 715169.1116 138566.1254 698604.0465 917994.7095 181884.4416 866725.2736
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid 755993.7977 881853.7992 1085007.9010 895803.3368 763444.2641 858145.7108 1148098.1370 984500.2764 1071912.1410 874996.8249 776138.6945 908904.2510 782964.7515 901022.6854 966586.0522 806011.5591 973414.4518 891969.5789 1081747.5700 1000699.1590 1045664.8760 1082425.5160 972181.7787 921626.2958
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose 2557267.6140 2970775.4490 2937369.3010 1955958.1400 6838607.5690 2868211.2700 2934093.0740 4893334.6340 4452290.4560 1375257.6280 1152156.4960 2503432.7040 2797271.2590 3762787.3640 4430776.9310 5638622.5070 3343615.5360 3045208.4060 2353891.6850 2021144.8970 2850768.5570 2501808.9110 2601986.1890 2169649.8050
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose.2 411659.4831 1380682.9080 1000875.3010 625925.7484 1893326.5470 1095332.7150 530404.7681 1310428.2060 1108250.2530 666442.1597 241296.8245 530067.8727 664814.4373 1265643.0180 1184499.4450 1152131.6680 1102762.8340 936814.3343 548233.2352 391042.4810 525953.1031 534292.8093 452849.8181 409212.5483
1_5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2_3_4_5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucose 1449471.8230 1536713.0390 1996268.8680 1679155.8730 1828339.1090 1909175.8260 1239869.6740 1189349.8880 1342416.6760 1107823.5630 1063537.8020 1321071.9030 1681954.2130 1959243.0000 1778599.2090 1729698.3750 1637274.2080 1789706.3200 997987.4942 947548.5043 868956.6399 1102370.5530 764781.2994 975397.1594
(1alpha_2alpha_4betaH_6alpha_8R)-p-Menthane-2_6_8_9-tetrol;(1S_2S_4R_8R)-p-Menthane-1_2_8_9-tetrol;(2xi_3xi_6E)-3_7-Dimethyl-6-octene-1_2_3_8-tetrol;3_7-Dimethyl-3-octene-1_2_6_7-tetrol;(2xi_6xi)-7-Methyl-3-methylene-1_2_6_7-octanetetrol 370274.0498 359226.1075 2101245.7370 871835.0322 490315.1784 490832.5115 867750.1800 216249.8094 188411.4865 329429.5570 285600.8575 474154.4801 1154570.1230 1030269.1260 961902.6856 347483.5538 918441.4232 1368293.0080 275809.4824 226778.3231 304321.1978 299556.2973 258206.2321 314553.4083
1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidinecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone 295376.1652 124199.6263 309370.4312 241875.7814 108376.0978 66902.8029 187954.0252 96785.0240 115146.3379 312461.8711 302457.9214 142117.9929 504215.5094 158242.7203 213797.9294 115899.9291 639877.4504 329346.7962 103801.7817 81953.3926 83630.4862 104711.0929 85390.6600 138377.7171
1H-Indole-3-carboxaldehyde 473271.4133 519589.5751 662369.9346 805052.6349 1002528.9150 432566.6819 1371913.3420 1282080.2920 536667.2517 1322576.7610 514393.1859 254847.5276 642099.1147 404631.5417 136023.6523 214994.7091 545226.4214 738172.1177 565918.5741 275461.7326 689795.0116 907613.5316 100908.5436 994685.5139
1-(Hydroxymethyl)-5_5-dimethyl-2_4-imidazolidinedione 49670696.1300 35200172.7000 47342300.7400 50585230.8100 50492216.7800 47571556.7300 55355399.2200 64297058.1300 50178387.8300 92016575.3400 43085513.0600 54848044.5200 54344220.7100 43276015.0000 38562598.5400 35290154.7200 55803370.8900 46392077.0900 37035257.1600 31614130.5100 31480979.0900 35074917.6700 38367743.5700 36144209.4100
1-(Hydroxymethyl)-5_5-dimethyl-2_4-imidazolidinedione.2 344948.0057 64771.1520 1723680.7940 1638647.4190 94067.7414 42440.2720 278503.9035 36708.1550 35939.7550 63758.6589 2797.7773 164785.4079 991268.3926 550737.8758 654159.9907 34692.8732 1353921.7670 1048533.0030 30602.1568 30763.7907 37300.3040 39253.5335 38129.9988 80451.5152
1-Isothiocyanato-7-(methylsulfinyl)heptane 3304574.7140 1126760.1510 2817579.3800 5778280.4810 523006.8733 90947.1459 1768416.7270 375124.6574 304570.6040 262216.1504 169293.3730 426069.8851 3485874.8690 2276692.7980 1807639.1380 226650.8652 3571238.6720 3488806.8530 273051.6787 74862.9858 208483.0229 229012.9474 278284.1070 687723.1710
1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-2-aminoadipate(2-) 160950.1554 49020.2923 146252.4497 152532.8063 80238.6676 61767.7949 70517.1996 59212.6483 45033.6037 73884.5298 77516.7274 49534.5121 1252622.2360 182045.5135 117502.4020 28834.5199 221400.8958 139496.6814 31633.2010 17756.8474 48516.4981 32133.3907 26253.1000 63340.0459
1-Methyladenosine 14054.6900 14303.7400 11999.6000 9365.8840 10026.9500 12480.9700 9647.5030 9615.9310 8573.0390 7411.7650 9199.1240 8498.8120 8124.1920 12105.1200 14149.2000 11443.3600 10314.6400 11700.5100 7982.0870 4758.0210 5561.3110 7566.8730 5566.7400 5539.7530
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine 619917.2450 480739.5308 781505.2889 873133.9742 1082707.6860 1017143.1560 980276.8008 1439018.9520 954267.9660 2285308.2720 1990690.0720 1215666.2080 1274616.9610 426606.8971 653612.7728 680270.5401 734999.9415 1201991.3790 378652.9138 390264.6505 588839.3458 765483.8159 703046.5731 733697.6671
1-Methylhistidine 5726708.3940 5189099.6690 7517996.9110 5320578.1790 4859240.4400 5527877.1640 5590868.5170 6643366.8050 4817401.7360 6831869.0780 7434970.5340 5957178.5690 5248129.1410 6867897.0260 5468343.9260 5554817.9450 6599894.5450 4582567.2190 4329626.2090 4783452.5150 2923400.5180 3967961.9030 5531596.7360 4450425.6720
1-Methylhistidine.2 769046.4923 1054607.5460 1335981.9830 1102333.3070 876070.1773 1126377.8060 1472870.8730 41581.9405 1645031.6500 1809030.2970 2696501.5700 1515053.7410 877958.8623 314398.8735 1317618.6510 1786498.0860 1144243.2020 830675.7542 1241549.9620 1777418.9490 768374.6318 1435864.6530 1921758.7900 1315832.7970
1-Methylnicotinamide 1184792.0000 1308451.0000 1234615.0000 916809.7000 1039231.0000 1384299.0000 2174317.0000 2083093.0000 1466433.0000 2150761.0000 1959716.0000 635660.1000 1102980.0000 1721697.0000 1016671.0000 196152.3000 1829319.0000 1647355.0000 925674.8000 740003.8000 1283022.0000 1835572.0000 531697.9000 2706280.0000
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine 3538708.7270 2853164.9060 4391253.0260 2266290.7960 2498035.5470 2031411.6740 2895123.3580 2208296.6270 2990400.8810 2571036.4150 2858802.9370 5150852.3120 4142992.2240 2573957.4310 2757497.1450 1707885.8310 3240328.1020 2636641.1660 1608363.5520 1184741.4850 1625810.4470 2098197.6190 1486544.1220 2245750.8080
1-Octen-3-yl glucoside 4253538.1850 4943401.1550 3496111.3370 2132676.9800 2873693.0470 1913559.7060 2431944.7000 1861903.9970 1584065.1700 2001059.5850 2519484.7840 2950439.5580 1475854.5300 1655595.8240 1906884.3830 2156795.0840 1724642.5250 1248929.6700 877569.9913 845483.2700 1048479.9850 843924.2899 787041.1372 950858.7706
1-Phosphatidyl-D-myo-inositol 2206.5900 1466.1497 2321.9271 12693.4118 1489.3222 1315.9844 1515.1358 1371.2183 1250.2258 1564.6166 1363.6215 9367.5231 4257.4928 1936.2269 2044.9584 1171281.5120 3464.5415 2769.7498 1165.1900 991.3568 1110.8830 1198.0354 1135.2297 1231.8288
(1R_2R_4R)-1_8-Epoxy-p-menthane-2_4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1_3_8-triol;Ethyl (3R_5Z)-3-hydroxy-5-octenoate;(1beta_2beta_5beta)-p-Menth-3-ene-1_2_5-triol;(1S_2S_4S_5R)-1_8-Epoxy-p-menthane-2_5-diol;exo_exo-1_8-Epoxy-p-menthane-2_6-diol;5-Hexyl-1_4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1_4-dioxan-2-one;3-Oxodecanoic acid 496296.2519 453503.2019 566150.3862 295973.1815 298397.1080 318568.3612 365047.1260 331515.8844 377537.4818 328913.3968 400593.6904 276819.3694 313537.1009 339935.4265 362191.2505 326996.6250 329024.1270 268605.1933 309256.3122 317044.7666 300609.0650 256629.0261 222128.5399 297762.9997
1-(sn-Glycero-3-phospho)-1D-myo-inositol 684564.4823 119543.8834 932257.0990 3199806.4030 97184.4707 66268.6883 213768.3497 107913.7947 125844.4041 156185.0498 157072.9379 216464.6688 739669.0722 651176.3834 607462.9509 111611.2461 1207186.1720 1532197.6080 196881.9486 110696.7635 105088.2381 141903.6442 143581.3227 246035.2095
1-(sn-Glycero-3-phospho)-1D-myo-inositol.2 287242.3511 253093.4711 386907.3450 355236.5636 285772.2083 297065.6783 288280.4409 217149.6585 309785.7099 102033.5228 114120.2910 343831.4240 352754.3507 449368.3861 398332.0384 294284.7079 493230.8350 390306.8525 375523.9488 234713.5201 239812.9822 293017.4349 247357.2632 181054.1074
2-(2_5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3_6_7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1_3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3_4_5-trihydroxyoxane-2-carboxylic acid;5_7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3_6_8-trimethoxy-4H-chromen-4-one;5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3_6_8-trimethoxy-4H-chromen-4-one;2-(2_3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3_6_7-trimethoxy-4H-chromen-4-one;2-(3_4-dimethoxyphenyl)-5_6_8-trihydroxy-3_7-dimethoxy-4H-chromen-4-one;3_4_5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid 1472478.5890 1219379.1690 2691561.0610 2464793.7150 796222.9542 709817.3561 1618162.8620 1275292.9270 1469583.1010 2644934.1770 897939.0027 1042750.9750 1755911.6410 3239935.6110 2886799.3980 1391793.1740 2478068.1560 2609180.9920 1160554.5460 1268435.7640 1242494.6040 1513881.4770 988527.6278 1335741.7580
2-(3_4-Dihydroxybenzoyloxy)-4_6-dihydroxybenzoate 597170.8357 207498.4072 1150389.3590 766476.8496 65892.6513 478497.6207 342187.7722 277915.0073 9401.4664 86017.3292 62336.1701 127163.1510 1048313.1920 1030065.0560 791478.4822 65943.6851 1001792.8130 1485691.4040 58752.4187 5559.9569 8613.8431 24453.4009 511299.5946 95797.1047
2-(3_4-dimethoxyphenyl)-5_7-dihydroxy-6_8-dimethoxy-3_4-dihydro-2H-1-benzopyran-4-one 87420.1500 188693.5503 599728.3446 488674.3422 219912.5202 55966.7888 144967.5160 111914.2235 108977.4934 24756.7667 25189.6905 127557.0514 520658.8349 991944.0640 669960.0996 129888.8636 1893476.7640 791062.4872 62235.4220 47290.2444 39115.2455 70775.4090 105546.4117 130013.5387
2_3-Dihydro-2_3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;Dehydrowarfarin 3399.3012 4224.8983 44180.2474 211494.7393 14937.8710 2553.0602 11600.9259 3610.2961 4132.8337 20381.8161 11828.1412 16320.3223 96723.3674 460381.7150 337421.4357 2656.9172 168573.6740 598792.3313 29368.1523 2398.5601 2567.3857 2940.2278 53776.3466 75585.3258
2_4_6-Triethyl-1_3_5-trioxane;(±)-3-Hydroxynonanoic acid 6017490.7320 5672836.7390 2573609.3830 3503822.6450 2779849.8040 2500984.3710 2592503.8250 3938642.7330 3221131.3010 3368506.8190 4474642.2370 2530334.6170 2625096.9480 4103040.0480 5648000.2330 4889394.1930 2314477.8830 2238685.2790 4118173.4420 4423325.5440 2625700.8170 2431554.6860 1915949.9090 3782101.5280
2_4-Diamino-6-nitrotoluene;(S)-Spinacine 4422839.5000 584904.8588 5797126.8890 7533033.2520 547505.5799 83208.3834 2136852.8850 168572.3463 98285.1419 199100.4973 87607.4672 757447.4031 5834972.9000 3758698.1420 2429713.8510 601566.7400 7566660.8490 3753700.8330 117306.0497 54889.4224 88562.9602 158421.3542 231248.6853 499790.1751
2_4-Dodecadienoic acid pyrrolidide 227209.5685 135314.4759 662186.6437 1581430.9320 487785.2770 382072.8698 455193.0979 540244.0454 799213.7030 1067581.0710 1961362.5400 89404.0669 210063.3928 358547.1523 144126.7695 394311.8497 282103.0970 149794.3178 96781.2654 416671.2571 172799.5979 323674.0159 157327.0153 778876.1416
2-Acetyl-3_5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7_8-Dihydro-3-methylpyrrolo[1_2-a]pyrimidin-2(6H)-one;2-Acetyl-3_6-dimethylpyrazine 1367804.8950 1052220.2520 1276052.7950 1405795.3770 1400322.5750 1789831.9080 1168115.3000 1048126.1870 650563.1834 671842.9473 818463.8992 726212.4903 1213342.7670 1065462.8550 1073011.1550 1417274.9150 874195.1939 908604.7483 463767.5196 688874.6327 443097.2532 495871.2868 611133.9442 653241.2891
2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-Deoxynojirimycin 57722.0238 35559.6712 218317.4464 97005.3196 27917.3574 47094.5312 38356.3803 53398.7668 32580.2986 49577.9185 31361.6426 22065.9494 175260.7978 29783.2429 693112.2901 51842.7370 141798.6997 67624.4010 28617.2308 29656.1619 68029.2500 27653.0010 40760.9739 102898.4471
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic acid 4916691.0140 2137081.6990 1257108.2980 1359347.6830 268541.2435 103685.1781 619857.6097 194172.1160 167525.4779 307899.5389 223181.1096 487245.2234 9021467.5550 5160649.6290 1746937.2640 263216.0447 2472636.7520 2644433.7540 184087.7243 55311.9758 138948.7808 122453.7501 187742.0443 709451.3758
2-Diethylaminoethanol 2642534.0770 1740998.4780 2214412.3410 3406030.7130 2377171.3410 2337233.8690 2516475.8150 1786067.3920 1996957.2390 1947607.1530 2471574.7840 2611329.8410 2358906.2590 2456239.0420 2890271.5140 2334699.7620 2068375.3860 2336938.7980 1842789.3680 1639741.2610 1305795.7960 1639839.1710 1552063.3560 1821210.0000
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid 1166374.3930 1120659.9970 1521741.6420 1181831.1080 1595784.0690 1493466.8070 1111971.3570 1379478.1950 1126759.5720 268093.0539 1044398.3130 829137.4522 1692258.8580 1390440.1130 1366816.5770 1361681.2670 1565195.3810 1673630.0880 878686.0315 1003636.7770 986220.9948 829507.4627 996743.1999 921641.9121
2-Furancarboxaldehyde;Protoanemonin 10558.5888 9205.2826 13828.5197 12839.3134 10657.5635 9383.3405 10133.4101 9885.2837 10178.9900 576220.0118 99555.8405 13945.4221 13887.3393 12452.5574 12805.2745 9096.9976 16389.3619 15817.1683 10066.8592 8616.3397 9445.9766 10283.9716 9649.4476 9700.6122
2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1_3_5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1_3-diol;5-methoxy-2_4-dimethylbenzene-1_3-diol;1-Ipomeanol;2_6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1_2-diol;3_5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1_3-diol 2230495.6380 2560741.7170 1757826.0970 1312468.4410 1431498.4830 1332701.7070 1517589.7170 1355330.3530 1449595.9500 1472149.5970 2123672.5200 1035448.9070 1207884.3310 1872539.9790 1989466.8120 2045654.5110 1344041.5930 1029050.6870 1069152.5000 1335013.9900 1131114.6060 970701.2057 996715.8554 1277452.4420
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2_3-Dihydroxy-2_4-cyclopentadien-1-one 1752940.9020 1453864.7700 2001703.9320 1691729.5980 1774453.8310 1727943.7380 2421162.8570 2091679.8990 2700149.3880 7419657.6070 2914479.5450 2372086.1570 1556500.2430 1145635.9510 1348499.7760 1462584.9170 1659550.4170 1395490.3590 2005198.9100 1357032.7920 1644963.5280 2147181.5610 1550176.6890 2153046.2720
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid 658648.1484 1120296.0960 550720.1502 224171.8218 783641.7950 1123758.0610 655470.5863 1094150.9150 765997.3543 12910.8321 229085.9902 854988.9797 405344.9634 510916.6280 443508.6810 938669.9091 425546.7252 326041.0081 871792.8292 782142.2050 916598.8484 842988.5211 1059733.3420 437232.9539
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid 21504.1898 12202.5274 24261.5311 17614.1587 26029.8593 29359.5005 73024.5477 72504.2392 85992.4964 1199770.1410 171980.2905 109800.9445 13386.8004 5977.5002 6870.8670 21948.7566 13419.9687 5852.0747 33351.5583 14391.4042 33631.0832 58788.4086 14795.3353 47978.0177
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;2-Hydroxy-2-ethylsuccinic acid;3-Methyl-3-hydroxypentanedioate;D-1-Deoxy-erythro-hexo-2_3-diulose;2(R)-Hydroxyadipic acid;Diethyl dicarbonate;D-1_5-Anhydrofructose 41219.8371 19882.6340 98350.5762 94153.6514 53293.4048 69886.0664 89486.7491 82954.8216 79235.2323 3850574.4160 393560.4625 85425.1762 84795.7628 131201.1956 111356.2005 78400.1510 126955.0153 130503.7817 63095.8515 44789.6433 88466.4419 58496.2010 54268.6243 42676.8097
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1_5-Anhydrofructose;D-1-Deoxy-erythro-hexo-2_3-diulose;Diethyl dicarbonate 8443735.0700 8611559.0720 22419433.2200 13569861.9000 9456510.8580 8950182.4930 13231064.2400 12013155.9900 12849004.6500 17379919.0800 10307105.7000 11477270.7900 12020438.9300 16747610.7900 16184673.1000 8804871.6790 15227628.8900 16858031.3100 11209680.3700 9926771.5500 10758703.8000 13112463.8600 10966569.4600 11050880.6300
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2_3-diulose;D-1_5-Anhydrofructose;Diethyl dicarbonate 3159880.5230 3337519.3930 7416468.5890 9931587.9270 4010071.1840 4191878.0900 5998985.9190 4794604.6370 5506162.4870 8422845.7370 4813526.9690 5626683.2850 4811693.0370 7000781.3370 7132839.6940 3590957.8680 9951836.2940 10119829.2200 4743868.1800 4274265.5870 4713133.1640 6345880.0020 4600682.1270 4734104.2120
2-Hydroxycaproic acid 1442844.0000 1308854.0000 1786284.0000 1395529.0000 1533879.0000 1405662.0000 1500278.0000 1193510.0000 1080617.0000 1550209.0000 1701354.0000 2219736.0000 1482510.0000 1488921.0000 1734101.0000 1694785.0000 1248357.0000 1490149.0000 1057789.0000 1715183.0000 1042555.0000 1094484.0000 1606991.0000 1062735.0000
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate 6703407.1040 6622667.9340 9537337.4250 8780525.6850 5025223.0410 4677398.4020 8411407.1250 8440284.1250 8452419.2840 12338417.8600 11231372.3700 6780758.3910 5567696.3600 8934157.8880 7241847.4260 3256053.5730 6793940.3800 11657449.6800 7371814.0950 4949354.0320 6601503.1400 8522404.0140 5031253.7480 10164231.9400
2-(hydroxymethyl)-6-(2_4_6-trihydroxyphenyl)oxane-3_4_5-triol;Phlorin;Glucosylisomaltol 11718.9826 10216.9475 15348.2805 14250.3599 11828.8347 10414.5740 11501.3912 10971.6810 11297.6658 1510276.2840 190900.8326 15478.0305 15413.5644 13821.0993 14212.5802 10096.7619 19393.4239 17555.4826 11173.2117 9563.2794 10484.0938 11543.0899 11309.1105 10766.7140
2-hydroxymexiletine;p-hydroxymexiletine 12256203.7500 18082100.7700 13717510.5000 15899885.8400 16379427.8400 16397954.1800 13468695.7800 12355611.7700 10063033.7200 13671991.6500 13739546.3700 10768253.4000 12428133.1700 11937338.5700 10069532.5400 16225796.7300 15001159.7300 13405635.9500 8723692.2730 12515119.0700 9720388.5310 8466068.7940 11794379.8300 11903542.4400
2-hydroxymexiletine;p-hydroxymexiletine.2 5807215.9630 2480793.8580 140270.2842 141011.1999 204784.7142 155140.9193 158019.7675 26645.7869 76666.6312 5724256.9730 163730.0253 109569.8672 106759.3487 3432483.0110 2372424.8300 729851.4785 2512124.0980 161874.9947 44600.2266 59390.1133 75800.7807 3003434.9720 87580.9824 66833.8248
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde 1531910.8470 1676194.1420 3696105.4380 2125118.9880 1554484.2820 1614341.6590 1950388.5000 1025048.8300 1028748.5900 1290517.0080 1235955.5780 1547179.5340 2460088.6030 2279080.1160 2005750.3300 1471902.2220 1668053.6000 2313966.0950 1189319.7740 1154538.7570 1268399.2150 1176419.7170 1229659.3810 1336185.3920
2-Hydroxyvaleric acid 2502317.0000 1935660.0000 2449541.0000 2252815.0000 2723105.0000 2399692.0000 2214973.0000 2297701.0000 2330191.0000 2255321.0000 6647573.0000 8121742.0000 1894616.0000 2057923.0000 5463116.0000 6791803.0000 2346254.0000 1783363.0000 2130442.0000 5627654.0000 1600740.0000 2229674.0000 6366439.0000 1698902.0000
2-Methylene-4-oxopentanedioic acid;benzene-1_2_3_4_5-pentol;Zymonic acid;2-Maleylacetate 568099.6520 288517.6639 325967.5587 118494.2568 972443.1103 173650.2587 883828.1532 856426.0805 543816.3350 226119.9530 647691.3742 555711.4834 389785.5496 287177.7355 231923.9858 638603.1614 149339.0944 278667.0371 400747.2005 375668.4644 275350.4002 543892.4977 386481.0721 626427.5530
2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid 451053.1354 394432.8798 504763.1714 463464.1902 503882.1982 417947.9291 677697.4334 623118.0104 683514.3325 857283.0793 1123390.9960 458607.4789 514273.9978 723068.8694 778277.4886 450193.2405 738956.9755 728358.7225 855602.2787 574971.2047 609445.9190 831623.4036 728833.9859 841371.5597
(2-oxoethoxy)sulfonic acid 1317259.4200 1222711.1130 1042464.4450 1065283.6350 971777.5370 927808.4812 1144669.3860 1136210.0960 954517.3457 1008328.7580 1352452.0210 1017331.3820 806782.3071 1088147.7290 807490.0611 820267.2027 889478.4749 939201.4853 846496.1175 703629.0416 868699.6365 862745.3069 757747.1794 971830.1495
2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methylbenzene;4-Ethylphenol;2_5-Dimethylphenol;3_4-Dimethylphenol;2_6-Dimethylphenol;3-Ethylphenol;4-Methylbenzyl alcohol;2_3-Dimethylphenol;1-Methoxy-2-methylbenzene 1062347.8880 1208888.3810 821864.4717 585029.2787 672714.7178 604953.6791 694109.5772 627458.5657 668128.7554 682594.1958 963701.1793 473490.9356 553882.8134 878677.5875 902247.4748 947868.5241 602940.0587 457311.2669 484900.3484 606716.5919 512008.9616 448616.6982 460470.6305 582260.4312
(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;Galactosylglycerol 1892371.8860 1881183.1720 53378.1062 18414.5857 21159.3745 19096.1306 32659.4188 8903.8256 24513.7992 52132.9655 23172.8411 34637.5081 214319.8349 287828.7433 90083.0160 89230.3567 41832.2214 26582.8808 6567.3084 47347.6052 11714.5969 11140.9157 12219.5009 41183.3494
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 14757618.8500 14605384.4100 7850337.8480 6986411.4240 7272363.1230 7096728.9100 7418512.4180 7269517.0520 8417682.5630 8332908.3450 8147812.2760 6462042.7440 6222369.8720 13469492.5900 15691205.0200 13939477.8200 8221882.7920 7131710.2920 8006684.7700 8479660.7050 8145334.7420 7691989.8890 7058626.9480 7256826.1230
(2S_4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyprolyl-Hydroxyproline;Prolyl-Glutamate;Glutamylproline 169296.7705 89469.4244 361673.2261 343446.0701 153602.5808 64536.6550 393480.9080 343090.4007 137291.9105 511801.3728 445423.9284 188471.8213 519448.1144 316889.2855 268797.1359 152550.5484 812201.7413 439791.2274 74340.0237 106812.5038 130140.2666 80938.8545 125279.9122 198726.3236
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate 1651265.2940 1837022.2870 1622718.1760 1257257.8240 1859827.6740 1277391.7980 2258127.7780 1650586.8110 1556020.4570 1536754.3730 2069994.7690 1188215.6110 1189945.0930 1437004.4110 1459580.9030 1974808.2330 1438853.0890 1099577.5990 1276390.4790 1470352.6660 1241091.2660 1101659.6940 1107567.7210 1375501.5410
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.2 577917.3477 585432.2480 445460.7237 366415.9736 396347.0363 354819.3056 461866.1678 412005.8689 447356.7249 426436.2264 575796.7951 262995.5629 320561.3944 474614.6609 439635.4565 41594.1899 386537.5952 294864.8064 371065.3175 431593.2410 340310.9345 282056.5280 321928.4388 381897.2784
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.3 789669.6410 450871.3876 573555.5278 528845.3141 279585.4764 392561.7818 351680.5321 404481.8682 440814.1878 377427.5327 722301.8095 262203.9965 446629.7807 781763.9330 612399.2196 433104.9921 405497.6449 448273.3547 310962.8618 398033.8781 236629.7560 218435.0623 240881.3820 279338.5005
{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3_4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3_7-dihydroxy-5-sulfino-3_4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3_5-dihydroxy-7-sulfino-3_4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acid 579864.5262 349658.2264 11633.2837 2510.3247 5706.5119 2306.3482 21075.9596 8018.6420 2495.0562 2776.9570 6603.8761 33245.9042 2833.1801 13792.6597 35430.0971 42556.3517 2575.2811 2519.2346 2280.7383 2862.3870 2260.5210 2258.8046 2245.8699 3014.9120
3-[(3-Methylbutyl)nitrosoamino]-2-butanone 48002.4560 45046.7472 282499.0263 195623.8113 498253.2565 152660.3796 37583.3433 277765.6271 155203.7699 64844.9088 111473.8264 25244.1681 966302.3238 217812.8444 304450.9204 85657.8834 127649.0502 193749.6388 18434.6419 65583.0677 54895.9164 32688.0069 621427.9840 23578.6105
3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 21676.3433 21629.1196 454635.1983 1015405.8810 75175.1405 55059.5899 34448.5877 3731.7980 117589.9594 495141.3664 19944.8482 26023.9947 465728.0199 84484.4608 11201.0931 28213.0051 197481.2846 1866393.8010 71799.7761 6902.9496 103478.2007 18203.1893 8078.4346 43682.8541
3_4_5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1_3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;3_4_5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1_3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1_3-benzodioxol-4-yl]oxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1_3-benzodioxol-5-yl]oxy}-3_4_5-trihydroxyoxane-2-carboxylic acid 50061.1469 15918.7805 300176.5896 131203.1908 29225.7924 4028.0992 96015.9150 15217.4051 6573.9114 9296.0374 22173.2986 50437.3624 513489.4208 191617.7273 132628.5917 3324.3110 325925.3345 351292.5012 14573.3759 7221.7281 12334.1617 11280.8463 11706.8417 36216.1490
3_4-Methylenesebacic acid;Allixin 1725560.3090 1713907.0250 577456.7139 477284.8493 534127.7624 483014.2779 569438.9986 588677.5462 600280.5065 787125.5618 763250.4413 479425.7705 461882.0270 1181737.5220 1221296.8170 1203567.9880 545872.4288 421877.1510 452753.1690 480895.6601 502367.0886 410032.8527 346148.2184 489941.0515
3-Amino-2-piperidone;N-Mononitrosopiperazine 377668.8911 209234.7987 298737.3134 325829.6080 408572.7759 260016.7781 409041.3634 500555.9556 345423.4707 761449.3517 724626.9961 480351.5696 505348.0301 488904.3753 378269.4894 337807.0080 626932.1553 618573.4477 813706.1661 567070.2111 453957.2080 677493.6930 454704.3699 598572.2771
3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide 3447.6209 3323.6725 11381.2319 6995.6292 11164.6606 3236.9733 6249.2552 8558.9340 4511.4973 872581.0398 104378.9905 5746.5315 14689.5220 16402.9869 14342.7013 4591.3881 28024.9232 8727.5754 3758.2460 3523.5910 4215.4126 3920.2423 3451.0924 3656.2329
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1_3-dioxolane-4-methanol;2_6-Dimethyl-7-octene-2_3_6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1_7_8-triol;(1S_2S_4R_8R)-p-Menthane-1_2_9-triol;xi-5-Hydroxydecanoic acid;(1R_2R_4S)-p-Menthane-1_2_8-triol;7-Methyl-3-methylene-1_6_7-octanetriol;(1R_2R_4R_8R)-p-Menthane-2_8_9-triol;9-Hydroxydecanoic acid;2-Hexyl-1_3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid 369098.8752 411607.7780 418886.0049 338305.4400 531075.0301 403125.2046 396842.6266 405531.0659 441946.5650 373061.5621 569430.6334 773322.9481 150376.1088 240133.1023 282325.8132 353087.0888 249590.1941 427281.4069 1111492.4620 434274.0537 548402.2332 1074102.8610 358561.0321 789319.6436
3-Hydroxydodecanedioic acid;Dibutyl malate 132522638.9000 120460996.2000 55839944.4600 41539897.6400 43762424.4800 37592449.3900 38698718.0900 44957396.3900 38307905.4600 53696304.1200 28964879.4800 27571922.2800 38793003.4800 61651356.0600 20468023.9400 29183847.1600 35623163.2000 33327794.7800 10989170.9000 3964602.1370 30520005.4600 17607838.0000 3268149.1730 17354488.3400
3-Hydroxydodecanedioic acid;Dibutyl malate.2 3086304.3160 6392055.1100 1440967.8640 2253910.7320 1232294.1320 1997599.9050 2009343.7150 1583839.8440 2356209.0600 1052943.8990 740183.0703 2074831.0560 1080568.3570 881281.4089 1450155.3540 689236.5338 1257104.5240 868599.2185 198626.0910 107263.3114 1350959.3950 303403.9757 209985.6179 537467.1057
3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic acid;12-Hydroxydodecanoic acid;(R)-3-Hydroxydodecanoic acid 285795.6232 304291.4799 412442.6236 269476.0127 329457.6770 378318.8950 374458.4765 440260.3409 612574.5823 187954.5606 459317.2300 644481.8645 236356.5599 178255.1753 165024.3207 235205.4708 151056.9315 308172.9991 645130.8161 456089.7591 477514.4517 789735.3968 233123.4504 612682.9586
3-Hydroxymethylglutaric acid 3968578.0000 1122364.0000 1918679.0000 1294934.0000 1242958.0000 1234139.0000 1385719.0000 1334820.0000 1321998.0000 1444928.0000 1345582.0000 1191254.0000 3629156.0000 1566440.0000 1045442.0000 960142.7000 1714181.0000 1698592.0000 1499043.0000 1199050.0000 1443116.0000 1596006.0000 1055529.0000 1496694.0000
3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acid 3162824.6400 3138249.9530 931139.3342 765251.5108 811466.6868 905991.4014 938886.8914 902224.8546 1009803.8130 1226213.5970 1468708.5800 622667.5013 747056.3549 2394809.7240 3124126.3830 2674689.3510 928535.3639 722480.0576 909162.2031 1057570.3650 827939.3348 814859.5122 685308.9355 895555.5477
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate 1771097.5570 944018.3495 885798.1872 905126.4588 615382.1355 533480.1985 719843.8761 675057.7030 773979.4517 939606.3452 1513750.1600 617364.5973 826208.9487 1312555.9320 1207333.5580 761567.2307 1036089.7290 714190.7339 815114.8936 812409.8720 584200.4820 569367.5998 628312.9882 643236.1594
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.2 18951867.8500 19545513.0500 16813756.4400 7521495.7390 7959449.0550 8235254.1220 12238593.6300 8749169.7780 10304906.6700 13452370.6800 17750323.7800 6672303.8220 7784645.8770 14043634.8100 26171237.7500 15354389.9500 12865317.8100 6935620.1150 8445083.7110 8861339.3620 10239554.0800 7399173.7450 6884454.7860 10261461.8300
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.3 731621.3741 1196113.6340 466832.9771 322101.1064 616245.6270 663922.3859 673234.0893 657737.6302 753355.4444 235872.6485 233739.6022 380722.1088 423487.8886 536164.4670 582227.4374 814988.8619 436152.6286 340023.3682 730728.5951 931427.4123 692323.2987 634682.8815 578508.7470 741599.9979
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate 1885685.5030 1561981.8760 726936.8931 596865.3570 715622.7599 595250.7297 648586.1732 584769.5205 692823.8354 644160.3023 728722.3004 417493.2845 606164.3264 1278187.3810 1590903.7190 1422249.9940 658317.8171 565015.9710 571518.2603 578424.7762 524881.1264 475379.5121 458176.2544 615910.0613
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate.2 1006134.1940 1113033.3070 566170.0648 388459.6726 509485.8981 526347.4950 737787.9498 716205.1241 688519.5900 644805.3497 645245.6680 443172.1919 475820.0165 968065.9682 564292.5024 510450.0060 447200.5121 393786.5570 732259.0064 742437.1462 669633.4029 603619.3152 471239.2605 717827.0689
3-Hydroxytetradecanedioic acid 52228256.4900 40067904.1000 7065296.8910 2923908.3740 3105283.7300 2496952.4720 1369914.4860 1847326.7750 1029409.0070 4221273.9430 851062.8954 1371260.9610 2785643.6920 6009440.6630 511522.4367 598958.9338 1524069.0880 1701735.6350 216325.2999 116283.8076 735756.3649 366843.1995 103465.6740 348958.0522
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;Epinine;4-Hydroxynorephedrine;a-Methyldopamine;D-synephrine;1-(3-Pyridinyl)-1_4-butanediol 5703966.4940 4601366.2270 5896709.9570 5752553.7400 6250701.6100 7519229.2860 4537110.4780 4688947.1480 3562188.0100 3714301.4830 3309845.1310 4281441.2950 5621389.2600 4830367.1200 4303567.8280 5945860.1470 4702332.8850 3857593.0600 2988419.2830 5573189.1370 3211210.5860 3469998.8330 4317023.6310 3927091.0110
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;D-synephrine;1-(3-Pyridinyl)-1_4-butanediol;a-Methyldopamine;4-Hydroxynorephedrine 4911801.9360 4656996.3760 5182720.8310 4576233.9410 5288894.8990 6322925.1920 4382975.8960 4569607.3470 4111063.9150 3551711.0010 4958634.3540 4058158.6680 4821323.7040 4651266.5600 5143735.8560 5897245.3060 3908599.0350 3490709.0460 3016047.9080 3852604.4170 2828291.0730 3471025.8500 3746165.7020 4690040.7940
3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl acetate;Dihydropanaxacol;12S-HHT;3-Methyl-5-pentyl-2-furanheptanoic acid;5-Heptyl-3-methyl-2-furanpentanoic acid;5-Pentyl-2-furanoctanoic acid;Valeracetate 64555.0314 72580.6381 169085.7890 148788.8209 140755.5983 72772.5408 373450.2849 645547.8140 551008.0326 462732.5630 461356.5488 507724.5806 82173.3916 95268.2340 183812.8598 320400.3409 88310.1070 157336.2992 209362.9762 325416.9612 164721.4265 382463.2030 108703.1963 292139.1150
3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2_2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol diacetate;3_3-Dimethylglutaric acid 5256602.1780 4775457.4260 1331254.8340 1194683.2640 1565844.1420 1498904.4580 1831256.5670 1729601.1960 2149402.8370 1862059.5600 2770631.3550 1191033.7790 1328292.9660 4265887.9760 5292159.0510 5145064.7290 1499851.2400 1199842.7030 2208898.7100 2474812.9850 2027557.5360 1748421.2800 1836539.3040 2228348.2850
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Dimethyl fumarate;Ethyl hydrogen fumarate;Maleic acid homopolymer;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3_6-lactone 7997417.6570 7763199.7770 16661417.6900 14803482.0400 8700065.7410 8194880.6150 12880146.9600 13310029.5500 12316925.8400 25900971.7700 10513702.5200 11301821.6400 12433774.6700 15677186.8600 15707932.5400 8370282.5940 16057918.1400 17365871.3700 11008957.0100 9504666.1180 10211038.4300 13129435.0700 11052955.6200 10739540.5800
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3_6-lactone 11616.2431 10127.3762 15213.7232 14125.4279 11725.1321 13006.3992 11148.4742 31904.0389 11198.6199 3032098.1280 422323.5189 17512.0764 15278.4347 18279.0005 14087.9794 10008.2443 19223.4030 17401.5748 11075.2569 9479.4388 13082.3054 11441.8924 11209.9643 11429.4700
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Maleic acid homopolymer;Dimethyl fumarate;Ethyl hydrogen fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3_6-lactone 20539.7959 10441.5143 18717.7577 22551.0938 11596.0640 9371.2151 12703.1220 9911.1191 9576.1501 803694.4522 104092.8497 15249.8915 18524.5046 18146.1895 19307.3626 8932.3483 32570.4122 26030.9734 10114.5310 8361.0319 8033.2846 14886.0385 10503.3747 9269.0257
3-Methylglutarylcarnitine;O-Adipoylcarnitine 772330.8701 192623.3577 910352.3240 303990.6307 279074.1993 152140.2959 281356.3724 226691.5037 218373.5351 316120.6420 241012.7217 497118.9742 10877305.8400 944190.4603 497606.0136 86761.1076 1121238.7110 2133851.9780 234031.9132 76007.8805 431237.1017 200640.0534 145253.1025 286788.7096
3-Methylhistidine 8006741.0000 7833091.0000 9412104.0000 7705867.0000 6864524.0000 7520750.0000 7491254.0000 9488521.0000 7334162.0000 9261271.0000 9209506.0000 8729277.0000 7227127.0000 7637233.0000 8351231.0000 7079523.0000 9060332.0000 5426217.0000 5305306.0000 6435971.0000 4495252.0000 5295710.0000 7406646.0000 5728018.0000
3-Methyl sulfolene 8014184.2470 5990992.4320 10069309.9600 7746918.7090 10119300.8700 8998365.6510 10980999.3100 14420314.4300 9342485.1040 15024228.6000 9098793.2340 9901912.4890 17991240.4500 12970838.2000 14138217.2100 13076887.9000 15420074.0000 12740870.8500 6234524.1190 6995731.0370 5460030.1830 6235003.3320 8642025.2590 6255565.3810
3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylquinic acid;3_4_5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;3_4_5-trihydroxy-6-[(5-hydroxy-2_2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3_4_5-trihydroxy-6-[(5-hydroxy-2_2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3-O-Caffeoyl-4-O-methylquinic acid;3_4_5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3_4_5-trihydroxy-6-[(7-hydroxy-2_2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;6-({5_5-dimethyl-3_6-dioxatricyclo[5.4.0.0²_â´]undeca-1(11)_7_9-trien-11-yl}oxy)-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3_4_5-trihydroxy-6-[(6-hydroxy-2_2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3_4_5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid 28925861.6500 25267153.7800 97802735.4500 106515023.1000 17629888.3100 15777531.8100 41789103.0500 29149971.6700 76772752.8500 113142363.9000 75731990.1000 34050815.5400 86864265.7100 75644897.3900 124276855.0000 52496662.0500 122030013.3000 121192240.7000 52711157.3700 45694355.2200 20913266.2300 41745819.5600 47778842.5000 37308617.1500
3-Oxoglutaric acid 446981.4113 42944.9159 78494.8317 85181.8464 10690.8047 5276.3074 222593.0411 49167.1231 48633.8841 172007.1684 73753.5380 48041.4585 51638.4553 1720541.0260 271057.8069 34517.6885 1584047.1410 152761.0455 170547.1816 23468.3659 111347.1790 15073.5673 612606.9018 31446.0143
3-Oxoglutaric acid.2 253660.1797 240545.3823 484232.6372 253774.3643 523323.3215 299606.2307 972315.0901 599793.0315 455302.7002 321068.1497 202014.5125 820490.0045 108850.4157 174830.0443 212163.2947 465551.3617 131023.5783 135930.6185 216705.4276 170694.2498 215654.1568 345589.6419 194026.0890 484306.4305
3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R_S)-3-hydroxybutyrate 559952.7889 621998.0755 1327506.4600 646034.6396 973875.0500 991861.6656 1011242.8540 963132.6174 1733740.0450 514538.8083 1538776.8870 2343512.6850 257848.5790 277798.4960 292873.0951 449945.6168 307687.3986 466987.1973 2414715.3080 763801.9026 916131.5998 2665763.6930 583436.5697 1846850.1950
3-Phosphoglyceric acid 158027.1000 23051.3800 153957.5000 265779.3000 84553.9400 16302.1700 105654.9000 99552.4300 88269.3900 2002341.0000 1559147.0000 131815.8000 248255.9000 58982.0700 124308.8000 59381.0600 301681.3000 155569.4000 96235.3500 81717.7300 65889.4500 124850.6000 46274.2700 218810.3000
(3S_5R_6R_7E)-3_5_6-Trihydroxy-7-megastigmen-9-one;2-Carboxy-4-dodecanolide 730459.3082 538512.5945 209995.5677 156767.7899 135557.6152 130327.8735 97464.2420 137265.0596 94709.1289 162248.0399 161251.2175 91948.0630 113967.6246 186823.9573 135158.4317 113994.2354 99484.7186 94521.2655 58188.5039 66697.5612 69715.1671 52499.0596 49034.6860 73534.7289
3-Sulfinato-L-alaninate;3-Sulfinoalanine 1129919.0510 271900.8057 2258938.0810 1288058.9210 222442.0648 115208.2217 1400381.0860 158562.4056 119447.7449 254853.0299 260452.6057 540161.6220 1552927.0340 1098564.1150 598799.9031 220386.7360 798868.9751 1259132.0020 261251.9575 81343.1585 162326.7375 129511.6789 153487.9683 357665.5553
{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3_4-diphenylbut-3-en-2-yl]oxy}sulfonic acid;4-Hydroxytamoxifen sulfate 277019.4130 264817.7729 408961.8773 225486.6389 214397.0243 253838.7635 172858.5082 140260.4575 215460.7627 118569.8778 30470.1459 55746.7621 159954.5238 645500.5201 431268.2857 198651.6903 367146.3942 410308.0512 151751.9579 42146.7606 61989.9566 66189.1690 34246.1506 52017.7194
{4-[(6-hydroxy-3-oxo-2_3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 16041.3183 5333.0501 2860.4243 2982.4729 3204.6131 2620.4708 31082.4579 2877.6748 2990.3604 3213.3842 2839.4788 6551.1290 917766.8366 49822.5254 2601.0805 2419.9305 21393.8985 2648.1457 2460.6349 2012.7775 2509.2880 2606.5300 2187.5543 3339.0316
4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic acid 576645.0908 570496.4123 694871.4026 418922.6088 500516.8638 556453.8913 558829.0907 442069.5949 637975.2156 315108.4455 950134.4239 953021.0956 414376.7377 280129.1542 345747.3918 386853.9510 273965.2341 426677.8187 1319074.1630 493073.5158 624824.5516 1314626.9830 405980.4035 1058043.2870
(4-ethenyl-2_6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2_4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acid 1236977.8230 977438.8077 610639.0095 3115780.3200 2590469.3330 1931559.3200 1282024.1760 3264099.1260 2332292.7360 1717390.2220 1592847.5600 940274.0870 735790.0727 901554.6962 278467.0134 417599.1894 1209257.4050 762763.2596 466165.5742 646467.1663 638058.6779 594742.6333 354481.9186 999876.9587
4-ethylphenylsulfate;3-ethylphenyl Sulfate 3870032.3110 926401.8294 13392.0966 10819.3870 11847.3987 8087.7044 30112.1924 28891.6879 7660.1644 56390.7531 19620.0847 8205.5377 9084.0360 40010.2090 3401.9787 26182.0075 29525.4962 11114.4708 10089.4551 5473.5925 2197.3458 1675.0051 16728.6091 14581.9551
4-Guanidinobutanoic acid 1638581.3630 1184023.3670 2165723.6050 3234280.0670 2038194.3490 1677647.8430 2707377.3420 2394704.7970 669993.3646 1931389.1370 5530046.0950 2411443.8820 4812524.4220 4732683.6980 1465324.3030 335035.7809 4977146.2030 2866567.7120 969894.5048 425935.1253 540657.5222 453555.4775 403489.7387 1008051.0870
4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;p-Anisidine 646029.5259 525136.0052 795343.8719 752081.0936 603115.1026 621572.0227 576021.4525 416094.6372 384523.1297 415619.6072 477381.0027 547477.2158 800864.3039 669232.7783 722278.3663 575820.1532 528342.3374 611931.3288 469627.6114 392596.8889 405347.1810 398298.8981 456053.9207 412289.4785
4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2_4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2_6_6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4_6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3_4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactone 1961137.4410 2058055.9030 577960.0778 464339.4403 534507.8940 491629.4094 580090.5587 568605.6882 674950.1596 659455.9224 753838.8759 528309.5397 543589.7326 1452240.8770 1768281.5700 1732603.1490 620924.4132 458788.0625 639268.8911 791104.8644 553516.5009 553218.9680 716985.2438 537891.6678
4-Hydroxyproline 695571.3000 486896.4000 723508.6000 594374.8000 533573.7000 598245.0000 523486.6000 586590.5000 605119.4000 620880.8000 675336.2000 580651.8000 884183.7000 657362.3000 930112.7000 856586.6000 584380.0000 523189.7000 525653.3000 619274.4000 488512.4000 645384.2000 705876.9000 564662.4000
4-Pyridoxic acid 146838.5000 164495.2000 224465.3000 143826.4000 208065.5000 173259.0000 122535.1000 85820.1500 122310.3000 186104.2000 308024.9000 207230.1000 85581.3100 95698.6000 80580.0900 69958.7500 138618.3000 171036.4000 182999.8000 131006.1000 107569.6000 179016.3000 212826.3000 224676.7000
4-Trimethylammoniobutanoic acid 3981946.0000 3174459.0000 5074766.0000 3213984.0000 2819624.0000 2679545.0000 3135260.0000 2367860.0000 3325912.0000 3095710.0000 3183460.0000 5471325.0000 4429631.0000 3033061.0000 3124079.0000 2058809.0000 3497558.0000 3330205.0000 1957312.0000 1508009.0000 2027675.0000 2322942.0000 1691934.0000 2517027.0000
5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3_6_8-trimethoxy-4H-chromen-4-one;2-(2_3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3_6_7-trimethoxy-4H-chromen-4-one;3_4_5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid;2-(3_4-dimethoxyphenyl)-5_6_8-trihydroxy-3_7-dimethoxy-4H-chromen-4-one;2-(2_5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3_6_7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1_3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3_4_5-trihydroxyoxane-2-carboxylic acid;5_7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3_6_8-trimethoxy-4H-chromen-4-one 2477819.5580 2477722.3800 6003899.9990 4443371.2790 2742515.2180 2653463.2810 4676767.0360 3908229.8180 3886046.5550 5227129.7030 2845279.0580 3385885.7840 5084855.0450 6541790.8940 6839388.3230 3237056.5210 6954252.6270 5709544.5920 3156260.1750 2776685.1760 2861629.7110 3795173.7090 3031582.9190 3013711.8860
5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium 538015.4195 471554.8481 2437038.2490 1601020.7220 686046.1611 694702.6192 1194135.8460 1056991.8890 1559547.2230 1355434.9820 649833.9817 509920.3702 1548403.1040 2976993.3870 1744790.1670 490981.3451 2965717.0540 4068721.2590 1134415.7110 783888.8148 919857.7271 1238141.0030 624812.5802 1050512.9240
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid 100026.6877 104192.7543 92506.4138 94221.7485 99789.4002 103367.6692 110757.0833 310187.3509 41815.4109 107954.3899 96059.5088 595730.7114 111552.5982 111372.2959 195829.8879 113410.4269 120000.1638 98086.2519 412741.5857 94169.9683 87444.9142 86165.4868 109595.5963 114427.8958
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid 22611039.7700 25265451.1500 16544977.0900 12473328.0500 14268983.5700 13026538.8300 14537157.0500 13227312.9500 13871912.3800 14593872.8500 20605432.4100 10035135.5300 11733927.2100 18678261.3700 19895989.0000 19711694.8400 12831772.2300 9747144.4520 10045685.7400 12999440.7400 11002823.3900 9628634.4230 9762933.2990 12341209.8600
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid.2 17100759.8100 17019955.5800 6890107.4350 5887202.9730 6340331.2010 5807259.2160 4531912.1990 4691733.2320 5023639.6450 5239511.6900 9255756.3190 3837703.8350 4220480.7780 9979276.0720 16185285.0700 16318987.0000 4976271.8780 3656379.4580 3522991.3620 5148467.6100 3861203.7390 2940719.2510 3923255.5660 3773679.7530
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5_7-dimethyl-4-octanolide 2282718.6910 2228736.4830 1010860.5400 798720.5507 1066165.2620 922803.6381 761235.7460 835991.1318 748222.0291 1052028.2460 1374283.1710 874310.9559 872503.3406 1368072.3690 2037196.8230 1857268.9220 920762.2859 602777.4532 533075.3403 753063.8739 642790.8713 536634.7830 663569.2252 724816.1861
5-hydroxy-2-oxo-4-ureido-2_5-dihydro-1H-imidazole-5-carboxylate 209572.5501 106464.8591 1193198.9390 1349975.9350 343148.6157 19389.2036 855047.7639 426584.4208 172614.5950 357807.8896 315908.8340 286643.2017 1137847.3040 373375.0099 325114.4199 120545.8701 519776.0769 734197.7660 57602.9801 334745.5812 411111.8860 327664.0256 97815.0263 664722.9927
5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3_4_5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3_4_5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3_4_5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 1524258.7490 49422.0611 465485.6989 1076035.2840 32435.8907 9029.9737 142466.8023 36703.8985 11274.8578 19751.7438 19381.1344 30343.7091 438919.4241 103450.3747 109346.6419 12061.5734 213574.8731 262388.3157 11890.5771 7817.9934 8804.1635 10099.2842 7647.2073 13565.4955
5S_6S-epoxy-15R-hydroxy-ETE 249640.0695 229928.0825 1457081.6850 974258.0001 712266.6213 1115874.3820 319131.3269 630754.2985 547635.5881 342610.7210 1075228.0900 332917.4030 478898.0203 225997.6058 230104.7533 207525.6298 364152.9497 704843.7855 364830.2625 592366.0918 289720.5007 259633.8109 464099.3363 337007.2847
5Z-Dodecenoic acid;1_1-Dimethoxy-3_7-dimethyl-2_6-octadiene;Ethyl 2-decenoate;Citronellyl acetate;Hexyl 2E-hexenoate;cis-4-Decenyl acetate;(±)-Menthyl acetate;[(3_7-Dimethyl-6-octenyl)oxy]acetaldehyde;Allyl nonanoate;1-Ethenylhexyl butanoate;Methyl 9-undecenoate;2-Octenyl butyrate;Ethyl 4-decenoate;Hexyl 2-methyl-3-pentenoate;Rhodinyl acetate;(±)-Citronellyl acetate;2-Hexenyl hexanoate;Hexyl 2-methyl-4-pentenoate;Methyl 10-undecenoate;11-Dodecenoic acid;cis-3-Hexenyl hexanoate;trans-Dodec-2-enoic acid;3-Heptyldihydro-5-methyl-2(3H)-furanone;7-Hexyl-2-oxepanone;5_5-Dibutyl-4_5-dihydro-2(3H)furanone;2_6-Dimethyl-5-heptenal propyleneglycol acetal;xi-5-Dodecanolide;xi-Dihydro-5-octyl-2(3H)-furanone 515803.0436 620827.5797 592843.6183 296155.4827 637409.3906 717472.2057 471731.8564 544231.2025 763882.9998 204844.7606 292533.7909 1220013.1790 367257.5036 295829.7964 357081.3220 389721.7418 238012.8050 458440.1880 569393.4626 417547.1249 405764.1935 655825.5320 351007.6268 434763.7490
6-[3_6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2_5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3_5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[2_3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2_5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[2_4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3_4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;2-[3_4-bis(2-hydroxyethoxy)phenyl]-3_5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3_4_5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3_4_5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3_4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3_5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3_4-dihydro-2H-1-benzopyran-4-one;3_4_5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3_4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4_5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3_4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[2_3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2_5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;5_7-dihydroxy-2-(4-hydroxyphenyl)-8-[3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3_4-dihydro-2H-1-benzopyran-4-one;(2R_3R)-3_3^_4^_7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5_7_8-Trihydroxyflavanone 7-glucoside;3_4_5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3_5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[3_5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[3-(3_7-dihydroxy-3_4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2_4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[2_4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3_4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2_5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3_4_5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3_4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3_5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;6-[2_6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2_5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2_6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3_4_5-trihydroxyoxane-2-carboxylic acid;3_4_5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4^-Hydroxyfenoprofen glucuronide 152266.2611 82590.2349 285440.0971 150660.2193 65553.6705 27393.4954 77027.8032 39493.4387 55589.6407 15344.7982 5786.0642 87082.1191 338217.8699 145080.3915 183610.1320 45006.5847 568950.3765 367292.6027 45472.7453 17289.8426 23552.4240 38115.5362 22808.6265 43717.0812
6_8-Dihydroxypurine;Oxypurinol 16706.0525 16066.6763 361034.4533 654178.8479 29533.7804 13218.2862 41612.4913 15780.1115 22512.5660 73756.6757 50695.1123 50989.6107 261447.9991 343968.4258 329884.0640 16299.5128 448680.6271 693522.8688 46082.1893 11930.1611 12340.8892 14420.4283 24681.0948 75981.8222
6-allyl-8b-Carboxy-ergoline 44728.2759 36530.0601 625859.1177 149023.1808 37865.3427 202354.0584 147233.2673 5658.5411 2847.9311 18767.1478 33684.8591 185673.4768 17164.3929 134304.7945 37298.3372 4404.4298 80377.2673 186361.9233 30124.4162 2646.0775 2144.2553 2352.8740 7666.8365 48531.1548
6-Chloro-N-(1-methylethyl)-1_3_5-triazine-2_4-diamine;Indoleacrylic acid;N-(2_5-Dihydroxyphenyl)pyridinium(1+) 13286150.2200 15214794.1100 23999704.9300 18550437.8700 22309639.3900 20507689.0300 24654243.3500 25824999.1400 18412056.8600 25551796.8200 13290551.0300 17622228.9200 29386031.4800 22239209.4700 13129888.6200 10956096.3500 29843886.8700 20062114.0700 19423297.9700 14071887.9400 14221450.2900 22114516.7000 15217297.5500 17681681.5100
6-Epi-7-isocucurbic acid glucoside 1723608.5970 1819331.5460 581192.9769 542299.0614 379720.1730 483287.5809 455442.1615 431813.8816 519547.2338 472731.8828 376097.7290 482108.3233 367102.4825 807308.1413 1041538.2120 972178.6770 429286.8621 292909.3422 272943.3117 294212.3352 349024.3878 316976.7508 205031.0265 254022.3370
6-Hydroxy-1H-indole-3-acetamide 10582.0593 22557.7525 52982.2955 139994.9837 146579.4983 9074.6531 72017.7021 208866.9797 40098.7481 866862.7427 1139150.6680 44623.7041 50351.9010 10370.9738 14690.8646 30671.2394 13836.3799 103244.3792 22627.4361 141990.8115 50077.3209 59713.5972 10074.8484 85779.7265
6-Hydroxypentadecanedioic acid 1354123.1870 1285501.7360 370134.3446 240921.1683 276735.5709 212662.7409 186670.9222 196785.1160 187636.1131 300797.1880 172939.6232 160422.3012 210714.5637 455091.1933 233535.5436 221498.0561 189375.0902 169517.6331 95395.1576 78388.0213 128075.1861 105465.0969 56385.4802 113022.0626
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2_4-oxazolidinedione 1242047.6100 171791.3277 685422.8621 282721.2436 338784.1245 215508.3456 245231.2976 237503.9373 188463.1999 250024.0125 190599.4968 175373.8193 4243815.0180 359773.7887 223310.7433 128462.5036 1475646.0600 360038.3642 154858.5965 84200.9773 199673.9961 138597.2438 108261.4639 166458.9715
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2_4-oxazolidinedione.2 207567.8283 21187.0911 146436.2149 64207.3157 67171.9000 43081.5604 44418.2665 40090.5596 33973.3818 46295.4787 24796.4332 38353.2922 692913.5981 71808.8727 51285.3913 36703.9549 160184.0996 62537.8035 29980.0535 104194.4319 21274.9599 109786.6769 19836.2403 33156.3132
6-Phosphogluconic acid 9373.2060 11256.0600 33942.7400 40974.8800 34999.7100 8383.4560 18577.5100
6-Phosphonoglucono-D-lactone 14842.8800 15879.9100 7222.3500 13497.4500 13787.0800 12204.3500 10997.9400 13435.5500 15218.1300 13681.7300 4927.7880
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1_3-propanediol 1-xyloside 175134.2935 101078.0599 909673.9829 874045.3709 247094.3824 164301.8954 575610.7510 413151.6177 582468.7625 1517826.5800 841805.5338 222672.7037 733560.3686 839222.8848 638779.9529 139443.6047 1163367.7530 1631824.5540 403418.0525 148378.6870 172044.5618 386147.9510 120736.9701 400948.0510
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycine 5515621.5740 2657289.8270 4769887.7000 9931934.1500 896426.9404 330128.4591 3027645.4560 706147.8303 552984.4812 408819.5324 281357.6074 811536.8448 5923194.9510 4069404.8640 3403428.4320 356799.3017 5779074.7870 5254647.4000 499814.5324 127475.6963 316347.5247 413902.1185 432112.6326 1068764.0000
8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresinol 8-glucoside 9861.8162 8468.8980 180186.3190 62974.7424 10968.4720 9411.1846 34103.9911 22996.7727 75136.7872 95208.0361 14801.9638 11603.2518 78147.0260 214571.9396 53021.4950 9858.5717 296089.7902 776210.2003 36084.5028 7926.9583 8067.5012 44446.2826 7985.3044 25310.1756
8-Ocimenyl acetate;Ethyl (2E_4Z_7Z)-Decatrienoate;(S)-p-Mentha-1_8-dien-10-yl acetate;Ethyl (2E_4E_7Z)-Decatrienoate;Perillyl acetate;(2S_4R)-p-Mentha-1(7)_5-dien-2-ol acetate;(R)-2-Acetoxy-p-mentha-1_8-diene;Carvyl acetate;Menthadienyl acetate;(±)-Myrtenyl acetate;4-Hydroxypropofol;(2_2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S_Z)-Lyratol acetate 339537.6372 54750.9180 787220.7206 399521.9375 116057.7008 88894.1400 208210.8633 252265.2941 197010.3037 265470.2888 353568.6568 375260.7715 167845.4858 450630.2978 438701.4687 351127.0373 340654.1873 271685.5372 277236.8862 69305.4887 53726.3510 321802.7973 120291.6138 388350.2921
9_10_13-TriHOME;(9S_10E_12S_13S)-9_12_13-Trihydroxy-10-octadecenoic acid;5_8_12-Trihydroxy-9-octadecenoic acid;9_12_13-TriHOME 17736.3185 17184.7463 40830.6442 24541.8332 34022.0890 17103.7772 215151.2910 169745.1529 37288.8327 1865067.7580 1319237.1800 330002.2981 21851.9650 9359.5378 9254.4901 13710.9108 7549.8324 23948.6664 60814.0567 77977.0906 37505.0941 39068.8357 14368.9910 57209.2448
9_13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Icariside B8;Dihydroroseoside;5a_6a-Epoxy-7E-megastigmene-3b_9e-diol 9-glucoside;5a_6a-Epoxy-7E-megastigmene-3a_9e-diol 3-glucoside 4094360.0280 4792153.4330 1197571.1530 982607.0780 881175.9865 1010956.3790 938174.4936 839730.5723 1188072.6830 1269447.6040 566772.9722 753779.9706 800306.4181 2039496.5860 2327931.1440 1812696.2210 1081371.1370 904123.2209 691877.3694 507182.1579 411372.8857 588278.6788 337934.7932 643517.2069
9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9_10-Epoxyoctadecenoic acid;(9Z_​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8_10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E_12Z)-9-HODE;12_13-EpOME 20662.6899 33168.0345 94860.5640 40537.7636 97472.5828 53340.9748 208159.1127 579546.9897 553681.2871 632102.6742 864245.7189 724106.0805 28479.0442 65172.2150 84990.8784 131512.5187 30924.6693 80000.6753 97076.9644 144872.2567 37427.4467 149149.6205 69196.7613 123477.5705
9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Butyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-oxobutanoate;cis-3-Hexenyl lactate;5-Pentyl-1_4-dioxan-2-one;Butyl levulinate;4-Hydroperoxy-2-nonenal;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1_4-dioxan-2-one 4142805.7470 3434919.9460 2983711.7990 3023926.3700 2569900.2590 3180522.6870 3993979.1560 3557439.4680 2863483.4860 4039856.9810 4878798.6460 2710205.7650 2149906.8190 2421334.6080 2666911.0840 2563062.1180 2784441.0610 2109375.2560 3388810.2770 3272018.7150 3521351.7540 2765323.8270 1938786.8920 3444168.7530
(±)-3-Hydroxynonanoic acid;2_4_6-Triethyl-1_3_5-trioxane 960954.5517 1402189.8010 1738295.7890 1689247.2910 1457387.5880 1579177.2230 1638938.4950 2169243.4710 1858674.7840 1620171.6670 2068231.4800 1193298.3420 1633487.3060 983581.6561 1074291.2020 936491.5930 1843734.6870 1204293.0410 556659.6034 747192.0869 1618210.5270 1556155.7550 1369283.7910 514237.9724
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acid 1921567.2290 2034997.4250 4962782.4050 4600604.7680 2298146.1450 2268509.2790 3424168.1330 3166098.1410 3388260.1730 4847247.4810 2982035.1120 3833805.3340 3097727.8220 4218100.0590 3696616.5130 2048887.9450 4611142.1240 5333293.3570 3148921.7260 2646872.5290 2937705.4810 3452407.3520 2813506.9410 2944997.4790
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acid 5034750.3160 4859537.6970 11011740.3600 9018166.5390 5419465.9370 5460296.8230 7336292.6080 6710971.6280 7104282.5110 10572566.9200 6321761.9880 6517139.2940 7202616.1050 9989150.6780 9299680.1270 5718302.2910 9920730.7320 11764332.4000 6851389.7070 5921543.9180 6548177.0280 7404014.5150 6300257.7590 7074071.3770
Acetyl citrate 276229.0618 305246.6543 549477.4695 399762.4274 536886.5169 359084.7193 995832.0761 630790.3909 670696.5302 543163.5109 592827.7925 1383241.6590 262659.0688 254296.2104 261966.4694 665906.4222 224216.1819 259650.1635 871815.6490 559218.8593 433246.7486 702397.7360 414539.8742 735595.3130
Acetyl-CoA 24668.1000 78283.2700 46042.7900 22949.5000 32466.0600 66651.2100
Acetylcysteine 24127.4300 20718.2500 35407.7100 86028.4400 22269.7700 71409.3800 30401.6400 26272.4100 19076.6300 23905.0600 78478.7000 30694.1000 498894.4000 1515450.0000 578670.4000 34114.6700 2595986.0000 2748350.0000 123719.9000 19448.7000 31366.7900 53920.0100 55826.8100 346499.5000
Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3-oxobutanoic acid 1131499.4040 452204.9123 682558.0130 540828.6860 297812.7346 593332.5503 553933.5137 499278.4787 546609.9850 472207.4125 451645.2230 613619.8735 231285.1711 281709.1753 372547.1561 339849.1572 362066.1911 486176.8250 548278.5073 282964.5610 692935.2659 752866.7801 332352.6528 540938.3077
(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1_4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S_E)-2_6-Dimethyl-5_7-octadiene-2_3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1_8-cineole;Linalyl oxide;cis-4-Decenoic acid;2_6-Dimethyl-3_7-octadiene-2_6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2_6-dimethyl-7-octen-4-one;3-Methyl-2_4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2_6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5_5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1_3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3_7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-Hydroxycineol 547446.1436 528473.8186 475187.5880 285104.0741 495544.9887 436198.8164 438565.7018 433175.7131 578348.2756 321068.5183 418343.7572 634302.6608 416025.4517 282701.9144 338532.9691 436985.5400 274042.1015 390537.8842 491439.1660 500945.6031 411588.7736 512392.6886 486583.6850 439147.1162
Adenine 1467012.0000 835983.0000 3286456.0000 3644844.0000 546398.4000 343513.5000 1051287.0000 315324.1000 284799.2000 458450.9000 402375.8000 743155.0000 1984424.0000 3260044.0000 2634459.0000 468733.7000 2327142.0000 3920972.0000 449383.1000 198174.8000 266500.4000 312923.5000 574380.7000 604108.9000
Adenosine 25674690.0000 1028520.0000 2578765.0000 1857690.0000 220628.7000 309585.6000 1782436.0000 219566.3000 157730.4000 205797.7000 371595.8000 2981143.0000 4867065.0000 7905306.0000 7770687.0000 5898765.0000 2776964.0000 2968120.0000 230680.6000 71248.4700 92648.5600 155956.5000 8270311.0000 250740.7000
Adenosine monophosphate 7224167.0000 1878096.0000 17096080.0000 36022020.0000 2076533.0000 34779.8000 3806463.0000 303806.0000 719644.2000 1290324.0000 2382541.0000 3298099.0000 21892110.0000 11833000.0000 18372010.0000 4272233.0000 27742800.0000 30168000.0000 2193454.0000 11789.0400 464512.7000 716432.2000 1252514.0000 3002941.0000
Adenosine triphosphate 16147.9500 3221.8030 9214.1640 34636.0900 8893.5040 6342.6630 2593.9640 7343.9230 6524.2420 19757.4700 9405.7100 11918.1100 15482.6800 15913.8100 7248.8290 5639.7880 5753.4630 7595.6420 4836.4840
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;4-Ethoxy-4-oxobutanoic acid;Solerol;Dimethyl succinate;Monomethyl glutaric acid;2_2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid 4255251.1420 3991779.7760 1616014.9090 1454052.6030 1497506.4470 1554789.2750 2012693.7920 1804699.7280 2130414.5190 2002461.7850 3046913.7700 1486153.1480 1516196.1290 3708492.7610 4618328.8700 3923315.2930 1502796.1220 1373858.6210 2265005.4830 2555818.7450 1905467.2160 1796673.2130 2002228.7570 2277679.1780
ADP 393007.3000 65767.6500 421807.4000 1364749.0000 126327.9000 180850.2000 64397.5000 99054.0400 61187.3600 16010.1000 179775.0000 612664.7000 191545.8000 271398.3000 30760.6100 585904.9000 424126.9000 125076.6000 67402.5500 116218.7000 99825.5700 148314.0000
ADP-glucose 11246.1900 27412.3300 6423.5770 13888.3200
AICAR 29198.5400 12142.4600 21775.8000 16321.1000 10582.4600 13497.0100 25891.4900 31951.3500 7653.7680
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline 58773.0686 79222.5035 486054.3534 471070.7222 147717.7838 15015.7706 110443.2741 44910.4872 78038.9608 33608.8148 25284.0900 137817.5605 370626.2020 420745.7668 478443.9617 42301.2226 1157800.9810 716024.2601 66649.0951 26562.5201 41159.7686 63396.6046 71734.2831 105758.5033
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline.2 561140.0636 359998.8959 808652.0244 638183.5093 637019.1670 522218.0519 1037041.8260 839680.1965 638558.6764 958132.3247 302007.5128 532460.2173 795418.9861 592628.8484 639402.6048 720097.6702 842522.5667 619100.7943 537867.9761 514406.7750 397715.1493 587443.6709 686050.7570 537195.5609
Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylalanine;Alanyl-Gamma-glutamate 70865.5598 26423.9274 324164.2552 347985.2894 27789.6608 102662.0110 74227.9647 10890.8055 10819.7660 36851.1099 67307.9682 78905.8467 149803.3229 457216.3626 126039.8714 2690.6542 431157.0064 758239.7510 64209.2705 3369.1968 5299.4298 13400.2216 24212.1084 109774.9737
Alanylglycine;Ureidoisobutyric acid;D-Glutamine 64247.4860 43604.2408 107765.2236 92210.7772 60199.4630 46015.7965 52092.7850 50978.9334 45116.4165 78487.2030 65281.8910 72431.2443 228434.9422 21056.0645 72432.7669 42017.7768 134645.5290 102977.8756 61965.3801 45079.1251 15362.5913 293181.2278 110493.8015 113899.7141
Allantoin 5592842.0000 5282729.0000 6798599.0000 6197352.0000 5498222.0000 5744631.0000 5374034.0000 6025037.0000 5950506.0000 6646395.0000 6805889.0000 4683577.0000 5354664.0000 4252924.0000 4292999.0000 4182998.0000 6434040.0000 4058472.0000 5959861.0000 3685143.0000 5410045.0000 6031719.0000 4670114.0000 6314697.0000
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide 3284662.5160 1321274.9680 6305780.5400 5212689.9630 433138.5392 2567734.9080 1842416.1230 1165129.6360 109506.9525 409606.6329 379012.2768 1038854.0330 5571900.5400 5578783.8150 4428935.6430 340890.0347 5564680.2320 7052683.6380 401843.0312 5750.1280 101556.6847 154435.0851 2369048.0580 625408.4757
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide.2 19614.3737 11154.5236 149198.6942 727250.8703 16878.2142 20440.6639 33224.3211 19990.3581 11954.9580 7450.6806 105999.1757 43637.1871 120488.0540 59321.7253 106568.3967 9180.2348 208932.7074 243703.7443 13309.2729 17443.1141 19381.5861 22205.1717 8988.7326 28951.9608
alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2_3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-Methylbutyrate 3458855.9180 3817963.9380 3897851.8330 2719191.9430 3105570.9850 3000876.9120 5862980.0630 5662320.2000 4104478.5050 3759086.3080 3994494.0420 4719310.9590 2406183.2750 2053999.3610 2518863.5710 3439616.3440 2014489.9840 3020038.7480 3552236.6250 3804444.8150 3470337.5750 4040689.4420 3546010.9670 2430233.1580
Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic acid;Linolenelaidic acid;Punicic acid 11496.0544 23970.5941 54021.6336 7808.8435 84156.1613 92939.4493 119653.3145 443909.2073 1325944.9370 12951.3658 58953.8327 308453.3887 24451.2588 37887.0109 104974.2247 83906.5707 67185.6880 72549.2400 92551.8635 85514.0712 18299.2161 186492.5117 141428.5759 50897.8489
alpha-Terpineol acetate;3_7-Dimethyl-2_6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z_4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R_3aR_7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5_6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactone 397685.4196 372209.2334 458251.4072 254163.1255 471946.7980 410903.6768 347174.0801 328977.6565 449269.4808 205704.2865 280930.7815 590523.5893 336003.2029 170963.1938 193194.1637 188901.3752 199235.6146 317048.8384 324235.7143 271242.2026 323931.2951 386471.9450 195540.4466 283925.5680
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid 337988.9637 278957.7304 769170.2700 3969137.5940 267543.1328 151942.7089 377975.9481 259829.6773 333338.2262 314778.8656 411801.8183 251761.0207 493107.6823 574010.9384 902824.6141 159504.5191 1208289.4290 1498244.4810 449155.4064 329220.3975 329542.8088 388279.6097 465690.2953 519809.3660
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid.2 2521.8914 2331.5251 2745.8289 17451.1754 2041.5584 1951.3591 2089.7667 1844.0829 1997.3394 2022.3301 2048.4956 1994.4235 2815.2837 200478.0834 89180.3997 2061.1496 1118130.2850 415490.1369 1892.0835 1767.1106 1788.4235 1936.0077 1737.0361 1920.4553
Aminoadipic acid 6164816.0000 701974.2000 2274553.0000 1152314.0000 1341764.0000 1021617.0000 1270355.0000 1205212.0000 1025789.0000 1409919.0000 1058862.0000 1078734.0000 19175720.0000 1463532.0000 764660.9000 726580.5000 5088666.0000 1162099.0000 916649.9000 578348.1000 1096127.0000 825187.9000 689014.5000 921832.5000
Anserine;Homocarnosine;Balenine 792575.2732 842873.8408 1502333.2400 2072098.4540 1127294.0390 811855.3169 1192970.8750 848716.8875 1358826.9960 4559081.9410 10744434.5600 1996577.1520 972050.8192 947373.2153 1541065.0350 1357114.7850 891652.2034 1629188.1910 605514.4267 1020903.3980 631150.1691 781817.9417 1140462.5140 1015993.6740
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)] 139209.2229 135739.3571 132770.2622 112971.5558 76538.9558 190718.5055 192589.9586 192600.6495 251286.1343 190419.0339 815767.5953 334782.6583 124260.9960 126155.8720 136646.0369 194803.3746 111817.2163 150037.0100 114612.6581 164451.3328 208019.3816 161820.1276 123836.1991 132738.3971
Argininic acid 117378.2918 15463.5342 82995.0232 593631.0818 7742.4195 3782.2892 56391.9436 3737.3538 3345.6659 4621.3671 4034.7656 16456.8448 144692.9460 37625.2941 27501.9069 4333.0521 64394.7371 36692.1341 3115.6791 3997.1167 3365.6625 3113.6170 2626.7888 7903.9607
Argininosuccinic acid 136468.4000 134388.5000 142361.9000 129772.5000 218512.2000 170723.1000 162090.0000 222695.8000 182011.1000 364497.8000 238516.3000 189510.8000 154868.3000 96664.6400 94696.3000 167885.4000 106633.3000 90746.4000 56104.5800 95344.5000 104137.2000 92039.8800 118094.2000 100008.5000
Ascorbic acid 6884013.0000 7234983.0000 8211103.0000 4450081.0000 10612120.0000 6212258.0000 13595510.0000 12964680.0000 12608590.0000 10612740.0000 9847029.0000 9812450.0000 8337547.0000 6598003.0000 6215960.0000 11962450.0000 4116512.0000 6681456.0000 13847440.0000 10826020.0000 8500276.0000 12641160.0000 9173130.0000 12993080.0000
Ascorbic acid-2-sulfate 2788820.0960 2737874.0490 2490286.6740 2049139.8270 3023802.4020 2525658.3580 3215696.9780 3014229.7640 3209531.2390 3538439.3780 2970489.6260 1545961.1010 1440609.7770 1795944.2390 820042.3499 683882.6105 2345273.0120 1979246.6460 2072367.9300 749210.5097 2125811.5030 2571492.9280 889778.4430 2727048.1940
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid 61625.3011 36052.0802 53045.7532 177304.0770 126282.9132 27517.4033 91092.7284 137861.1769 92752.4882 723439.2370 809963.6952 96488.5604 97751.3182 26582.3616 52530.3607 73446.1215 76758.4289 164608.2833 139456.1190 177745.6055 109673.4421 123758.9019 41261.5919 245142.2248
Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acid 578000.0625 11538.5282 37230.7117 253118.3285 37295.9117 3581.4866 35666.6081 32337.3202 3480.5486 271407.9173 305846.2974 144519.2425 41045.7921 19563.9159 126051.2280 123592.9722 43262.8867 196423.5554 1187.0351 11156.5800 55077.3282 2428.6832 102413.1677 117844.6961
Aspartylglycosamine 54878.4108 45011.5007 107533.3905 174833.9296 87117.1366 60828.3572 261467.1213 340126.3546 266637.6135 332339.0380 345608.4489 671135.2115 302150.3562 343044.5971 365443.5058 209560.0041 683919.8164 248646.0811 265849.6954 302636.7723 262356.7477 297637.4118 415303.1286 314917.7742
Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-L-galacto-Nonulose 530790.4348 403809.4678 631058.6895 544930.6457 466853.6393 393978.0022 554922.0706 383329.8622 468383.0111 1362797.8750 1000798.9850 451218.8165 545929.5273 1141866.6630 814680.8706 549302.7491 941481.8955 775383.5400 649697.1103 728646.9986 410146.1480 739342.5973 327099.4757 1364199.8220
Asymmetric dimethylarginine 3064419.0000 2841677.0000 3288756.0000 2364547.0000 3029263.0000 3124008.0000 2564873.0000 3880188.0000 3119923.0000 3960610.0000 4207423.0000 3277145.0000 2393207.0000 2923526.0000 1938285.0000 1918181.0000 3131398.0000 2389082.0000 2714821.0000 1816435.0000 2187474.0000 2312251.0000 1981687.0000 2604158.0000
Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}-4-methoxybenzoic acid;Clovamide 25400.0982 66137.1179 219897.6235 17563.8916 29724.7011 4515.4164 28254.0277 7600.6938 59271.3603 2756.4165 2785.9132 30021.8848 359191.3175 736857.4960 299746.0148 21697.6411 592081.9087 353091.9777 11168.5815 2605.7398 7287.0369 27002.4099 11744.2267 2680.2137
Azelaic acid;Nonate;3-Methylsuberic acid;cis- and trans-Ethyl 2_4-dimethyl-1_3-dioxolane-2-acetate;2_4-Dimethylpimelic acid;(+/-)-Methyl 5-acetoxyhexanoate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;Diethyl methylsuccinate;Diethyl glutarate;Butyl ethyl malonate 303162512.7000 276200065.1000 91766647.9000 83991226.0100 93502910.1300 95028319.5500 98341883.2800 97187553.6700 113356256.5000 112822909.0000 131551432.4000 78833504.7700 86219694.3300 218019788.2000 276973165.7000 249599368.8000 100032041.2000 85033279.5500 105507486.0000 125951679.5000 105300448.0000 93422263.4400 87542136.4300 104286243.6000
Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2_4-Dimethylpimelic acid;cis- and trans-Ethyl 2_4-dimethyl-1_3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate 842827.6299 843946.2329 361471.0833 251041.1610 260568.5003 204775.5385 251135.4814 310549.4469 263840.9230 392020.0601 163767.0633 167308.6104 232710.3787 322784.3462 106354.1849 125395.2028 204443.7311 232306.8653 44400.8018 130603.0653 173105.5025 103311.6791 25038.6850 106355.8596
Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenal 91326.3751 90330.7317 181150.2189 184748.6033 192965.1935 92935.0455 380699.9407 735950.5151 145129.5461 1113944.4390 619065.2081 133813.8251 148979.8311 78841.8157 72940.5385 102144.7304 75532.4802 157907.7233 48977.5398 89967.0419 65781.4170 121015.5594 81691.1176 183945.3715
Beta-Guanidinopropionic acid 94049.7352 73337.8301 50326.7381 176719.6091 105142.3943 102565.0677 69254.3933 316384.4722 346786.6628 310544.0252 68502.5579 164234.3810 179187.9186 152426.9763 126060.4512 117613.4215 98870.9057 109612.1407 47792.0570 166857.6505 76786.6389 816630.4687 83790.5124 155157.8218
Beta-Guanidinopropionic acid.2 61203.0711 35703.6186 54284.4986 88010.8844 52969.4941 46307.3922 67792.8188 315548.4336 67451.9000 80146.3148 159461.2591 86786.3442 181243.2264 42927.4834 72030.0681 59127.0157 56229.7865 56051.0634 45282.7536 40972.3421 34322.1572 45979.1975 87132.5879 676449.1698
Beta-Guanidinopropionic acid.3 15628.5299 10109.1713 15090.7209 32992.3987 13303.5929 17829.4218 16970.7991 23555.9080 17479.0845 32472.1132 165826.6225 16722.3891 22252.1692 12203.8975 14368.4243 16845.8031 130064.4614 15765.4463 28487.4731 10920.1239 17623.9090 19445.4793 8673.7725 16912.7118
Beta-Guanidinopropionic acid.4 8925.0083 5891.0172 6611.7881 10690.6845 7509.5429 10236.5633 9222.3930 9880.5019 7181.9558 16233.7231 18839.7158 7682.4785 8449.1202 5773.5683 9023.2218 6537.0146 18637.7816 8514.7162 9011.0322 7837.3657 6024.9415 146334.5771 6750.5647 137962.7013
Betaine 122961500.0000 109455000.0000 125541100.0000 143976100.0000 126745900.0000 123929800.0000 128842300.0000 125239500.0000 127287400.0000 157084100.0000 140917000.0000 206297100.0000 214533700.0000 153784700.0000 146816900.0000 75776140.0000 231600400.0000 156285100.0000 114558700.0000 69726420.0000 102828500.0000 109347200.0000 78444470.0000 111061200.0000
Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehyde 257758.7738 168093.4329 431440.9780 411927.3738 174618.7400 251765.1195 211568.5290 143079.2345 156540.0808 151025.1961 156190.7230 201820.0391 312679.0903 137428.5063 1062390.2340 177474.7123 199349.1947 188335.1612 131842.3812 107973.0980 106861.6413 103773.6836 107473.9702 225889.5176
Butyrylcarnitine 3742547.0000 2842519.0000 4978367.0000 5068848.0000 7888240.0000 4105470.0000 5991459.0000 2977530.0000 2473513.0000 4806750.0000 3860130.0000 3210884.0000 8180129.0000 6679619.0000 7457485.0000 7064180.0000 6164512.0000 5907565.0000 3262569.0000 1506749.0000 2023213.0000 1759572.0000 1940992.0000 3247343.0000
Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid 68348.7879 8849.7383 15971.3348 26824.9491 9849.4441 3866.4872 4029.3294 3893.3379 27062.6033 176044.2550 4168.8515 17773.1764 982036.7713 87919.1182 21918.8987 60652.8202 81072.5088 69579.0082 3998.5085 4036.6480 237400.5190 4210.7738 3812.6042 21643.0683
Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;Monomethyl phthalate;(E)-3-(2_3-Dihydroxyphenyl)-2-propenoic acid;3-(3_5-Dihydroxyphenyl)-2-propenoic acid;(2E)-3-(2_4-dihydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(2_5-dihydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carboxylic acid;3-(3_5-dihydroxyphenyl)prop-2-enoic acid;3-(3_4-dihydroxyphenyl)prop-2-enoic acid;3-(2_5-dihydroxyphenyl)prop-2-enoic acid;(2E)-3-(2_3-dihydroxyphenyl)prop-2-enoic acid;3_4-Dihydroxy-trans-cinnamate;3-(2_4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(3_5-dihydroxyphenyl)prop-2-enoic acid;3-Hydroxyphenylpyruvic acid;2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 456814.8555 369137.1671 537972.3601 581381.9626 919610.8297 356021.6864 3592597.3680 2386297.6500 555647.6280 1488778.4880 786823.5471 828823.0850 532683.4290 683485.8674 270399.1153 472051.3116 1100611.9440 545648.2086 454762.6760 299662.6081 587792.1413 579352.1725 675987.2067 786373.5112
Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2_4_5-Trimethyl-1_3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2_2_4-Trimethyl-1_3-dioxolane 938343.7331 1187265.6130 2067474.3510 832582.4199 1722051.7350 1309149.3410 1015615.9550 1787138.4740 1378572.1400 1057676.8210 1134069.6330 1032999.8220 2061104.2510 1175230.0980 1324802.7900 1269283.7640 969161.5200 1225587.9430 1130682.9470 1484402.3600 1223258.1800 1068447.1250 1645511.9210 1128272.2410
Caproylcholine 806489.5588 517322.9761 3999994.5840 1775594.1510 143586.7015 659555.5633 195426.9154 163402.4583 351173.1119 265520.3524 276233.2627 213243.4682 1011263.2210 150077.2642 9909260.0670 154807.2130 1097691.4850 1287087.4790 223823.4313 155861.1051 169164.2039 153142.5175 264348.0920 1445717.5650
Caprylic acid 1982716.0000 2159368.0000 4258575.0000 2175752.0000 2975246.0000 2630487.0000 2400313.0000 2564077.0000 2421308.0000 1949066.0000 2577027.0000 2124713.0000 3579496.0000 2050251.0000 2266523.0000 2027437.0000 2107153.0000 2537514.0000 2203213.0000 2686608.0000 2049856.0000 1914415.0000 2380189.0000 1709742.0000
Carnosine 745917.2000 522020.9000 997848.6000 1711930.0000 675312.8000 603118.9000 1388061.0000 1111385.0000 1073495.0000 2948127.0000 4629910.0000 543531.6000 815961.0000 936613.1000 528845.0000 412576.0000 932652.6000 1231912.0000 577468.1000 245706.2000 809598.2000 696543.8000 287353.7000 686768.5000
Casimiroin 2590240.8000 2755321.3480 3197453.6620 2684301.6670 2070523.1050 2175726.0970 2535922.7160 2735495.0500 2810254.2100 3178792.1280 1832769.1490 2503712.1700 2253058.4480 3208937.7060 2707028.1410 2579294.9860 3206037.0770 3071328.2950 2756845.1220 2527685.6500 2702146.3540 2726497.8580 2739415.0200 2542937.7140
Casimiroin.2 2431750.3460 2526300.1280 3063193.9660 2441299.4260 2263321.4640 2575761.1530 2488733.4480 2403402.8930 2562042.6110 2065007.4350 1472878.5440 1847779.9370 2783647.7220 3203897.8050 2887773.9320 2323962.2320 2517227.7510 2682244.9190 2496714.3590 2490287.0190 2456063.7660 2463891.3870 2785646.0030 2448799.1210
CDP-Ethanolamine 263324.1000 28252.9900 177919.8000 670387.4000 23354.0400 41237.9200 25339.1200 26709.2800 16936.3600 25372.5400 146389.5000 56500.0500 76174.9000 160597.1000 306442.7000 52493.3000 11637.7500 11497.2400 38513.3600
Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b_12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b_12a-Dihydroxy-5b-cholanoic acid;3a_12b-Dihydroxy-5b-cholanoic acid;7a_12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b_12a-Dihydroxycholanoic acid;3b_7a-Dihydroxy-5b-cholanoic acid;3a_7a-Dihydroxycholanoic acid;3b_12a-Dihydroxy-5a-cholanoic acid 16909.7715 16383.9037 31518.5773 11094.1190 73033.9989 27820.5487 105741.8451 124304.3027 170865.0111 26262.0681 38947.0924 1533915.3860 10777.0210 24182.0691 12792.8611 24824.0936 67631.6736 65573.0078 48549.1279 2153.3042 4990.6667 52589.0612 2062.1244 42894.2602
Chloramphenicol 3761728.4460 3487638.9270 4542400.6290 3879977.4320 4021238.7240 3807386.3690 4604602.7680 4352619.5490 4837534.0330 4361783.7780 4301991.7050 4509178.0500 3803528.4510 4246636.9010 3973068.4690 4012079.0490 3878914.8650 3245183.0390 4149170.2230 4015000.7470 3941600.5530 4385982.7180 3972383.1410 4165672.9590
Chloroform 133605.3192 99209.8313 105875.0480 144949.3580 238217.6281 5548222.1690 74248.5859 73601.1653 32471.6088 49453.4221 140222.1218 67418.0163 67177.6914 312755.6557 54998.4924 72768.4672 62787.2022 244104.7166 68750.6342 47959.1251 47882.3224 254112.6890 43526.4595 79773.9779
Choline 22975180.0000 20053820.0000 25188680.0000 35552500.0000 26951180.0000 22391240.0000 25041170.0000 20383730.0000 32935890.0000 73946580.0000 88631600.0000 37020830.0000 24934470.0000 35550820.0000 35780410.0000 20433850.0000 35931690.0000 56728470.0000 27374030.0000 17953430.0000 23282400.0000 30211510.0000 19773110.0000 28559050.0000
Cinitapride;Acetyl tributyl citrate 4566631.4430 4577414.7870 1091704.4510 890653.6884 979255.7244 765021.9895 767150.2588 732005.9766 941224.2032 1173111.3590 611976.5117 1035999.0880 632522.2065 1812965.1150 2142211.4290 2017214.0150 882190.2665 643641.1361 473526.4156 449063.3839 553663.3512 502234.4214 321461.9818 464321.1151
Cinnamyl benzoate;Benzyl cinnamate;4^-Methoxychalcone;15(R)-hydroperoxy-EPE 423429.0591 275073.1131 6196148.0360 1323001.2370 347968.8831 1572027.8030 1533811.9340 65237.9245 18752.8800 326742.8955 609549.1598 2158519.3890 172399.1612 1600118.1380 424651.6956 12187.4839 826065.3502 2316648.9290 351352.7005 7710.1123 17289.9825 32552.1375 86442.3565 574904.9896
cis-Acetylacrylate;Norfuraneol 8468273.3220 8384278.4320 19240442.7800 15233750.5600 9386539.1400 8647232.3260 12930306.1600 11136921.9100 11848498.0200 17973265.4100 10950597.8300 10864300.6600 13218959.8700 16221662.6000 17139788.7900 9352650.9090 16870209.5900 20758670.7500 11190353.4000 9866228.6180 11092926.3200 12904924.5900 10712631.1600 11303472.8500
cis-Acetylacrylate;Norfuraneol.2 3248369.1450 3449742.4960 8443466.3910 7621200.1900 3744164.7340 3636469.9640 5599900.1420 5316394.6040 5239626.5760 7767942.4550 4657777.3310 5342336.6010 5167486.0740 7428771.1110 6746527.9170 3600825.2580 7128210.7970 8261338.3220 4684513.8750 4551566.2400 4506879.9110 5687528.0190 4843577.9800 4687143.1830
cis-Aconitic acid 9909499.0000 8777348.0000 9842413.0000 8200223.0000 9203908.0000 11403010.0000 10670260.0000 11170390.0000 13881810.0000 46777280.0000 20530310.0000 14172420.0000 7287437.0000 7789556.0000 6373775.0000 8254622.0000 8704803.0000 6833967.0000 9891909.0000 7034701.0000 8937592.0000 10215270.0000 6679361.0000 10849270.0000
Citbismine C 6743.8419 5852.9885 7940.4606 9618.6994 6225.4594 5636.1018 6563.5573 6067.6112 6452.5954 23468589.6000 740788.2408 7619.1367 9020.6986 8014.4765 8085.6453 5836.6685 9689.6572 10076.3528 6229.6155 5461.4188 5964.6039 6501.8843 6055.4940 6747.7989
Citicoline 286278.3000 38168.0800 468927.7000 1525248.0000 72281.9600 75648.5400 17316.1600 31698.8000 39323.3000 8528.5450 95321.4600 364913.1000 546395.3000 413455.6000 996781.2000 1297867.0000 83550.6300 8544.3310 27377.3800 50297.3800 128215.5000
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;2-Pentendioate;Itaconic acid;2-Hydroxyglutaric acid lactone;2_5-Dioxopentanoate;Mesaconic acid;Gamma-delta-Dioxovaleric acid 2467680.1560 2185308.3090 2610437.2400 1942431.8960 2962109.2670 1530903.5590 4438708.3160 2834835.2620 3209886.1160 4739186.5390 3761401.4820 2710244.1210 4298233.3910 3823631.2520 4544035.8250 2313045.0390 4071222.1180 4558158.2540 4023914.1530 1476453.0610 3096665.0070 4282630.8820 3651483.3230 5001215.5410
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2_5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid 2126192.4430 1870380.9410 2256438.9610 1932351.6010 2102654.1740 2372165.5340 2377077.6100 2346742.9860 2958953.4710 10681985.5000 4779713.8950 3023931.3980 1508441.2150 1686784.5050 1384385.4950 1806483.3000 2050325.8970 1455243.2390 2200914.2760 1472077.6820 1847769.0040 2369239.6550 1567546.2140 2303914.0340
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2_5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid 5252784.2170 5752043.9030 4806676.4960 4136723.7620 4455443.4080 4083024.3370 4425571.6790 4167014.7850 4745518.4400 4643195.1720 6004333.8370 3354742.5750 4127977.7650 5028146.5610 4634158.9470 4541181.8400 4588439.5660 3410861.2360 4009933.0230 4273927.4330 3978550.1750 3492650.2580 3281556.6910 4088124.7180
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2_5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid.2 606236.7726 291129.4271 309883.5849 317216.4584 300901.0053 213954.2776 398286.2374 521473.3656 296810.6483 589032.8849 522973.0305 433192.8714 2672573.4640 407934.7741 303955.5157 466438.7782 597057.6955 244022.4391 302273.5355 299975.7645 493993.7254 402196.3193 354848.2760 443951.8364
Citric acid 62435610.0000 52323450.0000 64749300.0000 69097940.0000 66214120.0000 63837580.0000 79188060.0000 79917510.0000 79643570.0000 172075400.0000 88076840.0000 84814770.0000 58012500.0000 53722400.0000 54787930.0000 63160020.0000 56758650.0000 54512350.0000 65295600.0000 59774690.0000 63507560.0000 71226730.0000 54865180.0000 71546060.0000
Citrulline 41391260.0000 31348770.0000 46015960.0000 52113380.0000 41742300.0000 37924160.0000 47781580.0000 51065010.0000 40518820.0000 74802320.0000 38242120.0000 46774640.0000 55787560.0000 40996470.0000 39463680.0000 29876800.0000 53754390.0000 49532910.0000 30451290.0000 26923590.0000 27305130.0000 29723250.0000 31771710.0000 30404320.0000
Creatine 333002800.0000 260046900.0000 335874000.0000 396824800.0000 336737900.0000 296784900.0000 358001100.0000 335718100.0000 314385800.0000 481904400.0000 488233000.0000 373485000.0000 377035700.0000 269657500.0000 312336800.0000 322419300.0000 332716900.0000 316744200.0000 285378200.0000 249152000.0000 251425800.0000 300474000.0000 243583900.0000 329264100.0000
Creatinine 12013350.0000 10304560.0000 15741910.0000 14878890.0000 12461420.0000 10966640.0000 14207640.0000 13103440.0000 12565640.0000 14713360.0000 18084830.0000 13081680.0000 12546180.0000 11612130.0000 7176735.0000 8616011.0000 10894030.0000 9030046.0000 8123638.0000 5712197.0000 8070534.0000 10228800.0000 6306455.0000 10943520.0000
Cyclohexanecarboxylic acid;1_3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2_3-Heptanedione;2_4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2_3-hexanedione;3_4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;Pantolactone 902527.6758 898536.0721 262538.2067 222169.0024 250255.6156 225756.0193 231049.0855 250432.2263 252503.8154 241160.0480 341339.3435 166794.5782 199958.6645 737831.3583 849636.6196 789583.0909 223827.9715 179722.6258 234688.1701 303242.1106 218505.8382 188363.6898 216707.0038 238140.9322
Cysteine-S-sulfate 75053.9331 39545.1450 7320.5640 29516.5269 679668.4920 461675.0140 65954.0081 312613.8365 249917.9301 406355.3868 1446181.3580 815370.6393 4556.4722 3691.5734 3337.8290 222238.5504 3356.7243 3106.6516 131220.7809 584935.7649 73707.7964 188553.6017 77902.4908 356686.4057
Cytidine 812968.9000 768517.8000 944498.4000 949743.0000 852508.1000 946919.7000 1034994.0000 1041719.0000 1280743.0000 2132640.0000 1759315.0000 789051.6000 790716.4000 680670.1000 607760.5000 632333.2000 954714.2000 889193.4000 769871.6000 555132.9000 608698.8000 788644.8000 399196.2000 848456.6000
Cytidine monophosphate 134571.4000 19548.3200 88999.8200 221546.7000 14319.1700 39691.7600 11400.6700 5938.0870 53613.6100 98139.8800 35449.2100 144632.7000 63938.6200 102256.3000 24658.2200 193577.6000 112116.7000 13648.3000 2763.7340 6050.8050 7207.4260 18435.1200 26988.0300
Cytosine 328523.6000 271642.8000 311402.4000 254613.5000 270779.8000 285878.0000 269117.7000 343520.8000 366938.7000 379700.0000 521410.2000 330700.6000 196322.2000 272338.2000 190654.2000 207452.3000 223064.7000 201156.3000 292765.4000 239581.7000 245831.3000 276564.4000 245068.9000 242804.0000
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 444898.5305 377259.8363 2310413.3030 1072329.4270 269442.7060 36743.2693 726837.5334 54899.6547 47866.8544 271092.3741 142228.6316 453020.2337 2461971.1760 1625126.6490 871948.5991 58064.0908 3150257.0520 2107870.1390 126239.2730 35200.2799 49600.7602 80515.3138 117308.1061 281242.6961
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2 50338.4309 122173.5810 462398.4087 335079.8464 62615.0873 16324.2773 111273.1622 19718.5333 17596.4134 31488.7132 32255.6191 84870.3897 1007515.1410 427209.4061 266702.1594 18850.1169 1314805.1000 718607.7786 29732.5652 14637.1589 39476.1095 36376.9820 19714.4891 55103.6218
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3 195644.0632 341764.0354 597252.7298 247147.8021 197153.9820 115363.2589 159262.6120 68843.4271 67163.5716 56125.0354 18560.4991 130947.5271 862495.1607 325516.0569 302273.8529 86940.2050 1496540.0960 446541.5800 68446.6919 30460.5870 85061.2062 79188.0014 56317.4356 52067.3458
D-2-Hydroxyglutaric acid 22206080.0000 22793520.0000 9899574.0000 5260601.0000 11656910.0000 11704290.0000 8799633.0000 9365120.0000 9911428.0000 9067724.0000 6653961.0000 10686710.0000 8005602.0000 18515030.0000 12818250.0000 15627800.0000 6594880.0000 6763102.0000 10990520.0000 7421707.0000 9293149.0000 9944597.0000 6566534.0000 8946318.0000
D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid 296115.7081 328549.7245 445809.1024 306640.4043 450041.7676 389120.3709 1739265.9450 914506.7187 774116.5796 408132.3550 304265.4303 704980.1593 566185.3742 421054.1409 329706.7598 576395.1155 622241.0106 558393.8666 1447618.2330 778982.9438 1065457.7190 1055461.3610 580314.3539 1089505.5550
Delta-Hexanolactone;2_3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3_4-Hexanedione;Dihydro-4_4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2_3-pentanedione;Prenyl formate;Allyl propionate;epsilon-Caprolactone 907578.6911 931984.0540 310672.5920 264554.5790 287829.7288 273852.6029 303751.5277 292492.7828 338692.2723 299190.7885 407071.2165 210235.4227 261712.5323 713926.5200 822866.3553 768848.1435 296542.5462 231352.7210 295921.0053 336150.6575 288688.3608 258831.3269 266285.6415 297835.7643
Demeclocycline;(4aS_5aS_12aS)-7-chloro-4-(dimethylamino)-3_6_10_12_12a-pentahydroxy-1_11-dioxo-1_4_4a_5_5a_6_11_12a-octahydrotetracene-2-carboximidic acid 1742460.5110 1304869.2050 2146681.8220 1647034.2780 1043766.0510 1160035.6080 1695447.4680 1534278.3840 1394859.5660 2028040.4300 1619350.8330 1464816.9870 1853018.5830 1955770.2840 1435649.6350 1844192.9880 2370676.6680 2334655.9350 1488187.3110 1557961.3320 1872451.1320 1811845.0960 1078550.5080 1713482.0420
Deoxyuridine 293959.1000 205350.0000 262833.5000 199062.0000 231905.2000 257835.2000 223066.6000 286346.8000 298685.8000 272043.2000 318249.6000 344805.7000 292197.8000 246942.6000 191387.1000 248946.6000 227106.5000 183097.0000 271260.4000 170210.4000 239142.9000 254418.5000 199804.1000 212203.1000
D-Fructosazine;Isomugineic acid 45152.4610 13601.0172 734911.7348 396793.1969 14850.9117 11835.0213 96663.0955 14314.5042 14600.3963 19242.1943 13319.7261 64995.1142 356344.0475 270754.6692 281661.8275 12757.8233 791953.3845 460360.2911 13430.0810 11938.8056 12443.7638 13606.5040 12074.2757 27167.0941
D-Fructose 233941.4000 240994.0000 387523.5000 348591.1000 257456.3000 264588.7000 282344.7000 252150.6000 350175.8000 1193570.0000 655014.8000 510348.1000 418925.0000 381597.2000 381465.3000 608889.7000 504649.3000 487797.9000 326008.5000 304730.0000 370029.9000 343637.8000 448278.8000 311339.9000
D-Glucose 52689790.0000 53426260.0000 106063400.0000 94032900.0000 51409020.0000 52047680.0000 74742920.0000 68015580.0000 73132770.0000 109846600.0000 65631080.0000 68546820.0000 72690940.0000 107036600.0000 100548500.0000 56473430.0000 104299500.0000 114787300.0000 67607940.0000 62363260.0000 64395970.0000 74859290.0000 61365640.0000 66758240.0000
D-Glucuronic acid 165152.7000 50952.1700 125491.0000 148559.9000 75882.1400 47084.2000 114159.6000 71829.7000 62712.7500 247356.6000 127961.3000 84903.7400 141784.9000 108141.8000 86862.5200 90468.9800 135228.1000 136260.3000 59319.1700 58964.0900 52044.1100 59994.2700 71154.3300 85672.2800
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde 288755.0673 61770.8962 214373.9814 582698.6557 124025.4626 50593.3811 170323.3240 123969.1225 136898.9367 158235.6920 180151.9476 138251.7273 330215.8137 95303.5926 178434.4927 49497.6910 333437.2378 220923.8786 120036.0398 64950.4922 84184.4248 119171.4333 85967.9652 176978.6404
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde 941918.6116 683707.4848 1117324.7150 1099741.0230 863250.4521 943844.6632 1196845.7180 1346190.6980 1076021.6140 1901420.9210 1851764.4630 1097707.7840 779405.7064 1041747.7840 848461.1368 684369.3628 1040386.6710 1216752.5970 818123.2138 639787.8049 737034.9297 885550.9367 756631.8131 982697.1680
D-Glyceraldehyde 3-phosphate 55425.7800 29096.6600 58281.4900 301722.1000 41882.5400 30767.1600 129481.6000 350741.1000 208497.6000 2590096.0000 2441771.0000 168317.7000 138802.5000 33794.8900 214300.0000 402300.0000 58278.2200 268076.8000 143752.3000 367556.4000 196410.6000 252420.8000 79290.2800 298452.9000
D-glycero-L-galacto-Octulose 22835247.7900 21161309.7100 52605463.0500 43830855.5900 23665559.1500 23674779.9900 35681114.3700 32422610.8900 33048333.1500 55087598.0200 30382086.9400 32781939.0200 35186019.7900 46175150.2700 45735225.7900 23284709.9900 46706585.1800 55441017.0600 29658175.2600 28904073.6500 32832394.8000 34702284.2800 38680640.9200 34880097.2200
D-glycero-L-galacto-Octulose.2 1142086.2400 787169.3399 760018.0348 948484.2272 679782.8664 509503.2089 1086645.8740 787940.1090 972789.6852 1793948.7590 2226597.2750 862401.6931 1046048.1030 637144.0977 834956.4584 404868.0761 715079.9862 729522.8592 841221.8041 632149.8935 833125.2630 878736.6958 748345.5771 1079985.4920
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-one 215695.5843 182092.6243 233628.7794 190724.2698 201760.8635 246921.8215 291151.3104 250188.0554 321259.9905 1087459.4450 430205.7497 303497.5262 176461.8542 162636.1248 154140.5912 181126.0136 205615.7783 157428.0380 229995.0292 160803.3431 214070.6400 264178.4565 174882.0157 251395.2060
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetate 501433.6520 444870.6887 1075682.9400 812599.8213 554796.4089 519498.5618 763538.5732 772916.4270 746212.8878 1079255.4990 689682.9459 633253.6135 618867.0738 932372.3759 825716.0802 550110.0406 927470.7549 991786.8342 672524.3917 623088.1553 705595.2305 735523.1327 699565.1883 670162.7932
Dicyclohexyl disulfide 683120.7633 540400.0444 199529.3213 180124.9913 208880.0894 176072.7343 205605.0925 214474.5488 220566.7673 212308.7945 253701.7539 147787.3517 162504.3373 476745.7636 513645.8293 534084.4044 200081.1283 173049.5089 166881.3815 160788.6330 168284.2020 178916.5965 142601.4890 196871.2491
Diethanolamine 11127615.4500 7968811.1580 21223523.1800 19534555.1600 8106788.7810 10907101.4200 10543253.1700 7309412.4610 7399240.3290 7586798.3070 7194747.2160 9514399.3160 15528912.2000 6671941.8380 48960012.4200 8329940.6750 9741208.6530 9748906.2070 6551486.5810 4844203.2310 5411508.4190 5088002.9740 5073404.4800 11638322.8200
Diethylcarbamazine N-oxide 1209249.4250 626442.4973 6336.2325 5176.3334 4105.7068 1315.7313 11525.2402 1124.2081 1718.9315 3698.0350 9441.2813 23084.1735 479067.1852 102725.9783 9601.0799 15908.9728 45524.5082 1411.7409 1083.1108 2524.3677 1195.6916 2429.4692 2638.8861 10692.5185
Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2_2^-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid 150372.4897 10617.1714 125246.4744 123253.4915 33956.8721 16562.1821 105529.3015 28170.6421 24233.5440 278502.0994 128945.3190 74456.3001 79314.7601 10937.7100 22868.5639 22803.4826 444934.1091 44110.5285 6677.6527 2039.5586 4388.1982 13114.3485 6073.8963 18327.0704
Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl) 432929.7143 454452.1578 666618.0890 477694.8686 532517.8940 462950.1396 496434.3562 664353.8395 536402.1000 273382.8548 423803.2013 740941.8789 565697.5922 594615.8315 578447.9597 492505.5696 902953.0422 711595.4690 483530.2190 465193.7083 474608.8852 498980.5593 508853.0634 455502.4333
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine 1547341.2610 1756179.2500 1917853.7220 1537403.8860 897048.4241 857871.1297 868116.7090 707081.8016 637463.4420 573210.2327 495259.3859 841844.8097 1811648.7000 1953289.0690 866505.7876 458064.3649 1406565.0680 1572938.2160 571359.6752 459602.8658 706665.9636 648558.4588 687024.4118 795161.4713
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine 346625.2789 220219.4553 394489.7900 266305.1697 326225.5673 351935.8966 457267.9439 591661.9111 369427.6766 419275.7210 502601.6939 980532.2881 574562.0760 514351.1894 572712.7260 503089.7490 538629.9560 458621.1878 329306.8122 358499.1406 331284.0119 349306.5371 453532.1297 426217.5898
Diisopentyl thiomalate 1634390.4200 1387349.0210 710195.5430 484082.4975 452660.7558 427691.5101 491268.8345 474417.9825 386395.2233 720027.5158 329749.5136 322806.9302 380937.7506 717919.9401 197838.5540 258143.7527 367667.6091 325871.5426 71130.2444 23032.5783 303607.8096 146889.3010 19056.4752 187344.4119
Dimethylphosphate;Ethylphosphate 175431.4524 114371.1463 434997.7233 239365.4939 141213.3778 60605.8877 347866.7561 113158.5902 154260.3796 239738.9147 230518.2607 185167.3524 601402.7362 182389.6943 242827.4129 67534.3081 409894.2821 399133.5275 113670.4731 95430.3321 105034.5873 140314.1957 127140.4160 147955.2791
Dioscorine;N_N_O-Tridesmethyltramadol 309759.6938 351714.6877 76275.9059 67632.4010 70926.9916 59585.3977 99530.1068 73487.0652 86204.3080 86553.6013 104271.6184 54731.0229 70804.2982 333079.7804 314693.2506 304603.1991 85126.6322 62995.8452 87785.1538 88563.3006 71485.2674 69472.1708 59191.0603 88360.1313
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine 20317145.9700 17947852.1300 13158209.4600 19457483.9500 11836261.9300 18062244.5300 23184677.6700 14903498.2600 22503205.1200 28629883.2500 15377474.6000 17010099.3800 12759321.9400 12449604.3800 6349582.3250 6584423.4750 13277190.0900 8762889.9140 8956988.6900 5258759.3360 8397022.6030 9104130.2780 3306639.8900 10504446.0100
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate 22564668.7500 19837591.0700 45863826.5600 29232153.1600 10955288.7100 17784667.4100 29068369.4600 23617098.9900 28896398.4600 50756917.8600 42637635.2500 26257084.6100 26842479.2200 43021340.3700 33610340.3800 21260064.0100 32068495.8000 49000245.8200 24736505.4400 22485107.9800 25472295.7000 28371623.5000 25748895.2400 30352998.6600
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate.2 3241060.5440 2793198.7750 3998949.0220 3921690.8250 3944986.0790 4312320.0250 4252393.4770 4612515.1410 5390477.8060 4262252.6270 4265159.9560 26050756.9000 4055543.9630 4035291.0840 8756410.7800 4114612.5670 4212738.5920 3905721.4320 5642373.7720 21357243.8400 23129666.8400 4548359.3330 23192810.1600 37176350.7100
Docosahexaenoic acid;Grifolin;Retinol acetate;Neogrifolin;(4Z_7Z_10Z_13Z_16Z_19Z)-docosahexaenoate;(Z_Z)-2-Methyl-5-(8_11_14-pentadecatrienyl)-1_3-benzenediol 1832.4994 2382.1463 10619.3349 2254.8574 10425.0233 25387.1152 34690.3340 192939.6645 1113981.6440 6351.5412 14669.5499 21311.1331 1952.5873 1837.3102 11889.8807 2260.1205 25220.4492 9077.5754 25202.6218 8170.4212 3001.1355 83386.0452 35194.9169 12871.7996
Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin A 2971228.0820 2803165.8160 682998.7794 593912.2540 630481.9587 635712.9042 675194.8041 655446.5099 804202.0308 754352.8582 956834.4030 602216.9508 638782.8015 2272081.1300 2777495.6780 2406077.9150 804621.1487 613319.2141 708422.9995 781097.1000 650905.2109 566649.3023 547349.5332 633214.0944
Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetal 621017.8758 1051431.8480 1640276.3210 555748.5635 1188122.8530 1030790.3200 1006666.9980 1447560.7520 1695620.4370 452703.1542 377314.8605 1686881.7580 749368.4355 1214284.9370 3351615.2640 1180564.6400 767788.0201 1159588.3600 845985.2300 869491.4422 2655039.2130 922177.5149 870180.6940 561263.2007
D-Ornithine 4674462.7910 2720784.7210 3611022.7300 3663954.0530 5146296.5600 3016366.3600 5267328.2340 6428174.5540 4369177.5830 9434617.5300 8983213.7370 6013251.8560 6769785.4390 5993314.8890 4717292.3460 4155856.0300 7732277.5660 8139667.7740 10226764.3400 6989667.5940 5638413.7030 8120760.4900 6117879.9860 7331648.3820
D-Ornithine.2 861689.2779 664802.6022 733041.4697 622535.9006 1134161.8810 1072165.1380 1329501.7350 1774906.3210 1171440.6860 1346498.5260 1124001.5590 1380299.9980 858526.7503 765326.5726 635582.3024 696829.6929 882536.2752 687541.1162 667264.3052 696154.7687 654495.1037 777926.5233 852016.7294 688852.0145
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal 5500506.3330 3211242.2950 4291452.4750 4288586.1480 6060957.0020 3585721.8670 6159886.3520 7345902.6070 5079762.5900 10951346.9200 10305213.8300 6909106.4990 7792698.4310 6913066.9050 5433796.1440 4996756.2680 8973342.5460 9465444.7070 11889873.6700 8081250.6720 6691915.6290 9591891.3650 6829621.6360 8497536.3000
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal.2 26558.0835 22137.2167 29256.8926 27448.2971 30387.5739 26567.8517 45525.0922 229469.0371 55425.9741 297208.0643 43512.9110 51705.6736 37958.8509 52990.3016 78224.9406 17027.8723 89975.0956 38268.0189 31231.1554 29695.6883 25118.4316 4013.3825 38468.6698 37230.2428
D-Ribose 165324.5000 248754.5000 538889.4000 282270.8000 254567.6000 394873.7000 437994.7000 427542.8000 334501.4000 101996.3000 69148.0100 262257.5000 349133.4000 202066.9000 81492.7900 85631.0400 437522.5000 511389.2000 320747.1000 308086.6000 313087.8000 307804.5000 99409.2700 158248.9000
D-Ribose 5-phosphate 186271.0000 166925.5000 398778.3000 1353845.0000 286959.3000 137114.4000 967065.4000 2021592.0000 1134762.0000 4180506.0000 4820415.0000 804334.4000 799133.1000 105120.0000 740250.8000 973468.1000 260745.0000 1178630.0000 457759.8000 1730820.0000 984207.9000 1370473.0000 227374.9000 1454456.0000
D-Ribulose 5-phosphate 1101174.0000 777933.6000 1549428.0000 2277846.0000 204895.4000 785919.2000 2207249.0000 2047877.0000 1058499.0000 121838.9000 378475.4000 3818299.0000 2775595.0000 921271.2000 2145146.0000 1663793.0000 1172323.0000 1555591.0000 324518.3000 1351935.0000 1199122.0000 1173122.0000 1466939.0000 456840.4000
D-Sedoheptulose 7-phosphate 337636.9000 287946.8000 1759571.0000 3090142.0000 281475.3000 28344.5600 617410.2000 329093.1000 254959.7000 1400172.0000 1180765.0000 402456.2000 1508422.0000 708154.9000 1299494.0000 132694.1000 2736444.0000 1518844.0000 342513.4000 364415.0000 279170.3000 362664.3000 189953.3000 645487.6000
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2_2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-Apiose 1479500.3860 1035763.2780 3154174.6260 2922703.2820 1483897.1940 744041.2568 1918845.4230 826616.0087 307766.1098 1397682.5390 1714241.3240 1654909.8140 1594883.5590 2620656.6540 2086856.3690 918354.4432 1954508.8140 2748751.7010 1953678.0090 1080304.5940 1352974.5550 761588.0943 1292508.4000 979954.0344
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;Aldehydo-D-xylose;3-hydroxy-2_2-bis(hydroxymethyl)propanoic acid;2-Deoxypentonic acid;beta-Arabinose;D-Apiose 3262615.5690 1779193.8960 6565730.0680 5294722.6230 3332520.4370 2341110.7310 4252810.0990 2843245.3010 5461344.1180 4657828.3220 3831198.3200 3781896.8520 4331293.4740 5727323.7710 4943475.1740 2759679.6050 5843672.4950 6242619.6060 3958822.3590 2902072.9290 4985172.0700 4083505.9090 3638170.2360 2560727.6070
(E)-Avenanthramide D;Avenanthramide 1p 1126996.6670 91472.4896 2123699.1430 5290111.2360 164880.2125 3598.7367 473302.2888 16222.9718 39921.0501 132209.8874 3806.0029 515026.8364 2735748.0730 581121.1712 1241748.2590 12407.4484 1677828.2630 1099628.8170 124337.2223 3383.2980 70753.5626 59544.2040 162693.2705 363330.2396
Edetic Acid 17301.6207 5231.5247 6879.1174 161397.8974 5083.8496 4718.4996 5804.2016 4514.2827 4517.4404 20805.1702 11112.3010 26521.7346 11142.3739 6672.8049 6322.8282 28950229.1700 9552.6970 8596.9934 4614.4882 3788.8085 4041.6679 4693.2577 3971.3243 4236.3865
Ethyl glucuronide;6-ethoxy-3_4_5-trihydroxyoxane-2-carboxylic acid;(3_4_5_6-tetrahydroxyoxan-2-yl)methyl acetate 230996.9924 244463.9930 256248.3097 260236.9864 210815.1825 223048.1195 271455.0514 12511.5063 53664.2675 1253491.7010 63447.9814 43385.6525 18600.8172 239067.0978 289586.9081 231826.5883 85723.6868 65289.6698 80568.5821 210929.5800 186118.8434 239022.7657 26494.1715 243817.0984
FAD 49227.6300 15086.2000 70011.9000 153320.9000 22601.3000 8998.6210 24925.4900 17124.6200 16483.3700 18086.5900 11239.4900 18469.6000 82188.4800 50101.2100 55636.3900 8432.2160 96960.5900 68058.7400 27170.6900 15363.8700 12068.4500 30763.7800 12589.2900 24033.9400
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R_3R_4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide 689924.8607 498821.0416 833386.8896 627307.9903 882907.5116 645243.9490 357917.6723 376667.8974 348434.6531 362498.1769 277939.2794 271764.5363 820921.7917 791320.4142 748483.6171 800506.7879 761880.8142 722118.5681 196310.7044 242578.5036 221853.5907 248105.3527 277356.7707 247847.8103
Formiminoglutamic acid 21908052.1700 804415.6247 2152889.0890 456120.9008 417816.7006 215658.2248 2206554.7880 1650071.6420 836545.3985 1877817.7870 3530078.2470 442321.7060 360766.0096 478247.9272 267574.7235 317387.3895 3609491.0780 3559715.6270 9003279.6080 3757018.9900 3018768.8200 5868805.5820 1450543.0060 5394159.5700
Fructosamine;beta-D-Glucosamine 18983.0687 79203.7777 59003.0488 11783.9447 27914.2027 26947.4205 53504.3505 54480.1563 29300.1560 466085.3168 17115.8930 65829.9014 52760.3774 42681.4068 51147.6939 12949.3629 30145.4859 45366.5244 8986.7869 81093.7729 4680.4686 54578.3734 60118.2268 6870.9757
Fructose 6-phosphate 609721.3000 275666.7000 1357653.0000 2046057.0000 340117.3000 101725.2000 543150.5000 321200.4000 267484.4000 1268446.0000 1422581.0000 427073.3000 1680637.0000 728411.4000 1224934.0000 210131.9000 2355660.0000 1331608.0000 366394.6000 278446.7000 286723.3000 349117.6000 234070.1000 573974.0000
Fumaric acid 2962331.0000 1474251.0000 3223332.0000 2759672.0000 1982320.0000 1783692.0000 2811572.0000 1977013.0000 1737871.0000 4117029.0000 2817121.0000 2473185.0000 2305495.0000 1499510.0000 1708767.0000 1900581.0000 4217093.0000 2154915.0000 1206290.0000 991103.1000 1109363.0000 1426256.0000 1177332.0000 1685988.0000
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone 12818.4903 11237.6146 16788.2991 15587.3685 12938.6491 11391.6985 12580.4839 12001.0747 12451.7845 824219.2603 130967.1903 16930.2226 16859.7081 15178.7146 15546.0441 11044.0684 21212.9692 19202.5870 13253.5684 10460.5331 11467.7408 12626.0949 12370.1629 11776.8772
Galactonic acid 2490378.0000 849177.3000 2715579.0000 4776301.0000 1102059.0000 579363.8000 1506866.0000 843274.7000 929633.0000 1431645.0000 1649222.0000 1305681.0000 3378080.0000 2712229.0000 2262770.0000 708665.8000 3856097.0000 3117241.0000 1157918.0000 668642.6000 747211.9000 1177688.0000 1154783.0000 1701782.0000
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;3-Aminobutanoic acid;O-Acetylethanolamine;N-Ethylglycine 347310.6186 361676.3872 520781.4421 126756.6161 135126.9926 291627.5213 107081.0035 132697.8203 95302.6953 240231.7271 42831.5007 121252.3431 318997.9429 169481.6976 154793.2924 76920.8475 644666.1745 244887.6149 162784.1295 52956.3624 109547.0132 142517.4963 92156.9327 66456.2799
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine 2905261.0380 3457243.2510 3512272.7740 4140324.1840 2554277.1620 2173445.0770 3567030.2180 3386271.4220 3416224.6830 3615719.8340 2899760.3740 2480400.0620 5262219.6890 4450464.8600 3200250.2710 1277669.5680 5001039.9320 3965718.6990 3635340.4860 1611777.0340 3173743.6750 3435285.4400 2298915.5160 2513622.2440
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate 14653.3004 6844.4590 140886.0476 393036.9508 17309.3537 2176.6195 13730.8097 2918.3464 2395.0965 21794.3730 2539.0028 10096.6870 312517.1274 111884.8001 172329.7216 2260.3879 519038.1339 293034.6384 15626.8183 1805.1087 11907.2861 14036.6567 14591.6424 67560.4356
gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine 192119.8808 301343.3897 1913270.7890 5588162.8340 282006.3558 35734.3493 500317.4283 70846.5540 170047.2070 323280.7465 224907.9840 410632.6194 1767630.0020 6753343.7140 5330978.6740 40842.5361 4917105.4320 11583036.4600 471500.8766 49387.2160 82497.7678 151510.4995 436916.0182 888644.8111
Garcinia acid 4046721.6670 380750.2024 6659882.9680 13578721.0500 1184972.3680 363638.2870 1816555.7230 719553.7081 657312.3038 2858668.8690 2051686.2970 943248.8941 7590586.8920 1737550.7770 3103032.3120 247867.0944 7981779.6630 4733495.1110 1241851.1390 353967.7931 749845.1661 945390.8303 1104058.0250 1594839.2040
Glucaric acid;Galactaric acid;D-Glucaric acid 1993157.8410 1702738.6210 2197064.5230 1595875.6060 2078523.2520 1125074.5110 3000370.2840 2409571.2470 2451069.7680 3111871.9670 2676450.6340 2084966.7720 3081674.0120 2914033.3500 3538144.7110 1958130.4480 2744972.7770 3301468.2200 3064526.0410 1184201.5850 2454700.1620 3018336.8230 2545677.6420 3579461.2560
Gluconic acid 24301380.0000 4398623.0000 26035490.0000 68227940.0000 5929707.0000 2369826.0000 11979660.0000 5983134.0000 7172640.0000 11116510.0000 8847927.0000 9312285.0000 36369740.0000 22378220.0000 27650840.0000 3939365.0000 80163980.0000 61540640.0000 8781100.0000 4669150.0000 4747864.0000 7711361.0000 9709036.0000 11699690.0000
Glucosamine 116358.4000 148002.3000 286114.7000 218867.9000 152885.4000 139195.8000 170231.9000 179997.2000 173118.1000 233779.2000 136772.0000 297823.6000 179029.5000 280797.7000 249202.1000 132616.2000 370014.7000 330778.4000 193913.3000 102138.2000 196417.7000 130279.2000 124352.1000 146066.6000
Glucosamine 6-phosphate 10929.9700 3267.1060 24700.3500 45302.3300 6223.0660 10365.7100 6789.7890 4548.8670 30472.2700 35834.4500 7556.3190 31545.1000 8895.1140 21839.4000 38219.7500 25663.3600 7959.3580 6693.1670 5509.9920 6808.0190 2724.6520 13010.8200
Glucose 6-phosphate 786614.4000 401168.1000 1701179.0000 2413958.0000 363442.6000 121825.5000 957631.9000 516194.9000 413483.2000 2833912.0000 3412647.0000 473333.7000 2484482.0000 538312.1000 1005638.0000 292326.1000 1888906.0000 1216636.0000 560890.6000 409840.4000 465366.8000 545207.4000 269981.4000 828565.7000
Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic Acid 1046057.9260 572936.7937 1423441.5860 1233348.6540 1037451.6250 325975.7658 3119621.4010 1844536.6120 1244219.0960 1100730.4010 1279952.8580 965005.0443 1003998.3740 1071589.0190 814270.0721 1122008.4800 1195964.7880 856523.3431 724200.5866 845052.2975 856755.3466 830591.9094 887179.3458 1024414.4900
Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamate 59436.1717 3688.2825 272213.8940 317633.5577 8735.2455 3505.1247 53009.7927 3462.9846 3925.0690 5358.9335 3732.6220 40329.7118 254675.9404 99784.0049 123876.1329 3334.1227 539422.6108 136707.4849 9391.8669 3412.3299 3516.1732 7242.1682 7836.2761 29541.9104
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid 2864766.7020 511516.4772 1079745.3910 935991.3651 504793.8443 553299.2124 825131.1988 774818.6243 672727.9172 1010673.3220 1036980.8100 707859.2611 940919.3736 749805.0486 852941.6943 604144.2066 1366695.4810 912658.2772 816796.4152 485666.3071 445433.0532 713332.0544 574808.0765 793987.9903
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1_4-erythrono-D-lactone;2-Deoxy-L-ribono-1_4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate 867509.9925 918595.3293 3167728.0470 1988669.1690 983785.8977 919534.6080 1419354.2030 1221865.0650 1415103.0880 2136790.5280 1246366.3300 1256522.1300 1337248.4520 2117661.8390 1630762.1970 1171686.3000 2370444.4310 3264812.6910 1284142.0640 1309157.7840 1121617.1160 1333486.6400 1189106.4150 1406506.7080
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1_4-lactone;2-C-Methyl-1_4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate 2323241.8050 2237538.7220 4112724.2310 4156544.9640 2374134.8160 2516738.2610 3199803.5400 3209509.0050 3090493.7940 5842965.4500 2782244.5770 3056718.2870 3040172.2160 4159530.1010 4435123.2490 2292674.6130 4587794.1290 10731698.8800 3270635.7580 2606101.8280 2851514.5130 3494592.5290 2545481.4300 2936684.3290
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1_4-lactone;2-C-Methyl-1_4-erythrono-D-lactone;(S)-2-Acetolactate;2-Acetolactate 2452758.3100 2461023.1510 866436.6223 584034.9672 868073.3144 1002672.6580 1062148.9620 962749.8005 1054347.1920 979036.5268 1030195.3890 673832.5470 992073.5748 2262540.8130 1607413.9070 1513729.4740 803143.1387 644582.4228 854468.0321 999502.2767 1016243.0990 806291.7849 615315.6814 934664.9347
Glutarylcarnitine 283360.6410 156898.6233 1016523.1870 1028565.1260 319922.3924 71079.3970 245838.6389 154816.9734 124894.7121 193179.5685 178212.5383 443760.6495 8413631.6720 786325.8843 793030.2141 80629.4096 3333813.4670 1620163.2000 167426.5002 68074.5253 283273.9206 182386.4501 178403.4131 224720.0830
Glutathione 1818078.0000 637337.1000 20386770.0000 48209070.0000 1795763.0000 104889.5000 1959354.0000 66728.8700 157405.2000 1578252.0000 141802.6000 938419.9000 30437920.0000 12037340.0000 18905170.0000 165499.6000 41552460.0000 25954090.0000 693787.8000 37709.3700 698720.8000 479448.3000 1078095.0000 7677727.0000
Glyceric acid;D-2_3-Dihydroxypropanoic acid 1110892.1100 552207.1715 843082.5810 902854.2303 365130.5536 494980.0228 840015.3488 825892.7450 477213.6283 1173834.3890 816842.1317 567434.9390 1003193.0160 797403.3860 475598.0130 422822.7023 886160.5361 692828.3132 997652.7482 788779.2323 747370.7594 707042.4085 910302.9045 655213.6440
Glycerol 1-(5-hydroxydodecanoate) 1923422.8440 168236.2245 3999235.5250 1232477.3910 370891.2118 301597.8508 628061.4288 503240.2878 536575.2011 1054527.0400 1010475.0550 1250981.3720 483627.0430 1993264.3940 2240016.4610 1414347.3790 1349910.4910 917698.3484 1148901.6190 185820.5972 122971.5828 1112317.6210 296539.2111 1563240.8420
Glycerol 3-phosphate 7076853.0000 2365927.0000 14102760.0000 22136660.0000 2457143.0000 932746.0000 5316113.0000 1887528.0000 2395734.0000 3750663.0000 5151779.0000 4348447.0000 20618550.0000 15107510.0000 15103260.0000 1859182.0000 21063010.0000 25567600.0000 3526235.0000 1548775.0000 1788941.0000 2266604.0000 2698473.0000 4764171.0000
Glycerophosphocholine 19321100.0000 16119740.0000 63426640.0000 50100520.0000 22356780.0000 21601390.0000 32006680.0000 23958310.0000 32721370.0000 34495570.0000 15895600.0000 14407320.0000 53038160.0000 86776670.0000 52323760.0000 15911660.0000 84306210.0000 112500000.0000 31657270.0000 20645800.0000 26878790.0000 29834760.0000 17600690.0000 28449810.0000
Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine 1067946.6660 765191.0478 2756168.9780 3824573.3890 804499.7331 443645.2937 1424740.3400 869996.8009 847520.4349 1415799.2650 1042701.6180 932853.9891 3291151.7120 2118270.3600 1747036.0440 475200.6857 3488932.2730 5159950.4750 878212.2436 617619.3725 604868.1075 706122.8041 605388.2396 961135.3208
Glycine 24572990.0000 7358050.0000 10866870.0000 14622820.0000 4380738.0000 3146261.0000 10330270.0000 5641617.0000 3744718.0000 6380260.0000 8789958.0000 6349820.0000 12012960.0000 11019970.0000 8377692.0000 3306595.0000 9604232.0000 11513650.0000 3125310.0000 2310283.0000 2837219.0000 3340754.0000 2649784.0000 5024281.0000
Glycodiazine 128752.4609 37195.4694 1642604.2440 3813894.8330 134490.8791 4383.7528 145395.1407 5147.2840 8240.7108 135967.6166 7326.6769 69096.6058 2577229.4630 972361.9914 1522382.2540 9534.5283 3469308.0410 2363652.8800 41466.9411 4481.1637 46063.5419 24032.2146 83803.5662 549579.0739
Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-Cellobiosylcellobiose 55623.2168 20681.6005 121997.0919 91731.8810 3891.5259 3479.9491 38532.9576 25138.2467 16070.1906 2424488.7910 571984.9697 74548.5258 73541.3841 31230.7680 63207.7746 3809.4608 124912.0992 120476.9729 7757.2091 8856.3823 3455.5046 5351.9632 5022.8569 14632.5736
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninate 347850.5425 211347.5311 813748.9985 490486.3125 657951.3607 520476.4052 607036.2563 638695.4181 725693.6805 743216.9168 492847.1252 455342.3493 1861718.5810 511373.8733 258746.7811 340870.4581 1228144.0670 717723.8650 1197881.6020 395555.7656 923472.7715 998891.4448 890678.8117 905309.7154
Glycyl-Lysine;Lysyl-Glycine 235039.7889 169270.5090 258663.1571 301844.4016 189071.5776 125580.2063 451286.7018 413102.5972 301124.1491 352397.8847 729229.9364 284448.5791 257385.0597 617308.6128 410938.5578 151309.6299 380035.1227 571449.7256 384040.5518 208110.7043 274150.2156 400820.0378 291529.5658 488342.3543
Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E_6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrate 355989.5348 611607.0464 1379138.0820 452825.8409 1223657.3710 977909.5425 862847.9297 1100073.7990 1715456.0370 183466.7813 311958.4291 1816314.2580 357051.6569 312740.0146 302389.5122 488930.0658 344824.7880 615103.1086 803351.8337 489019.6750 546317.4331 1089567.8110 431212.7672 606885.8390
Guanidinosuccinic acid 469266.6769 1095985.5500 2342681.3250 3491682.7640 388312.7662 274209.9504 1864366.4410 497788.4201 472901.0939 640761.8636 539379.6850 370694.6783 1271483.5350 3613381.7640 2616476.4560 334194.7330 2587629.7060 4530990.6970 621616.1820 284934.5875 350475.4892 535003.6128 451828.1853 1284599.0410
Guanidoacetic acid 1250614.0000 385721.4000 732258.0000 603079.2000 312253.0000 303362.1000 445039.6000 339316.4000 234261.7000 300938.9000 441707.3000 459506.0000 399605.9000 325122.3000 258137.1000 224579.8000 375337.3000 534641.9000 174774.0000 156946.0000 163648.7000 167609.2000 161501.2000 258885.7000
Guanine 48818.9100 8652.3320 18105.0800 22495.9200 3872.8390 10783.0100 7069.3760 4107.4980 19285.5600 17165.4100 18734.3500 12218.3700 6291.0650 23643.3000 12238.0700 2594.7640 12788.1600
Guanosine 628101.6000 45746.5000 63904.3700 90525.8000 7560.9700 164046.8000 39881.4800 10357.2200 9806.0280 93652.8600 93529.3600 212317.2000 80280.8100 34681.0300 116664.4000 86708.4100 369456.3000 4969.9280
Guanosine monophosphate 480342.7000 65024.5500 386874.0000 1395744.0000 103467.5000 2472.7220 124677.3000 44030.9500 49592.8100 52523.0500 620927.3000 280228.6000 630881.7000 200404.4000 897101.9000 519871.4000 910364.5000 511979.2000 115486.4000 6283.6900 34826.2700 58159.1300 128909.5000 137338.6000
Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1_3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoate 771348.7759 982965.8187 1557106.8860 876134.4342 1189933.3840 1163304.3550 908626.3273 1014499.7900 1064331.8440 678069.2355 981585.0917 803256.4746 1394731.0350 897989.5954 1031490.9400 881256.9068 864522.4847 933221.7424 865813.7750 1172734.7920 843784.9312 859670.2013 1009281.4860 570886.1387
Heptanoylcholine 35651.8407 49729.2175 134531.7974 109802.9594 66726.3639 172776.4728 329759.6455 429733.2851 451187.1616 138592.3686 328462.8574 490685.6869 578684.7644 79361.2270 117447.7479 77268.3605 62812.5014 84593.8100 82772.1661 87875.2395 89732.5155 251855.5776 71532.5877 715074.9029
Hexanoylcarnitine 327130.6000 271190.3000 350197.0000 219963.3000 302418.8000 240066.2000 254128.8000 175178.0000 240633.0000 189539.0000 336347.8000 344907.4000 372582.8000 208429.5000 228260.3000 135403.8000 179808.6000 284784.7000 172747.2000 98700.0700 171972.0000 181730.3000 96923.9800 193999.1000
Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;Isovalerylalanine 313456.1840 219238.1836 541694.8713 487547.6136 488799.4511 375870.1046 969103.4321 1112470.6430 471350.8945 1028852.9400 459714.6494 694250.9868 357854.6021 672725.3161 556161.9136 501283.0941 540582.6799 680155.3869 242504.1436 272890.3044 325344.6184 324950.8076 506668.5914 400653.5854
Hexylamine;Triethylamine 434515.7929 113795.9178 2252821.3110 933226.4891 160162.1202 154771.3412 918805.6492 74255.6252 45303.5952 333227.9501 387735.1645 191271.1282 590229.4286 581138.3325 401931.6546 959199.8694 457589.6239 759148.1852 94913.2871 141074.0149 108880.7411 110977.3333 69265.5696 231149.5148
Hippuric acid 1885456.0000 981228.6000 229255.6000 145334.3000 139963.5000 92993.1500 622222.8000 505038.4000 204973.4000 907001.2000 517529.3000 437134.0000 192511.5000 255176.0000 162595.7000 333317.5000 358133.4000 443701.0000 166653.6000 71859.6700 180682.9000 93424.0900 138731.8000 138020.2000
Hirsutin 320745.7063 465597.0505 1887753.4410 1539464.4740 739222.0948 198534.3672 678429.5381 475472.1147 391890.5711 375347.0876 278534.3469 447115.9051 1346042.8010 2324336.4050 1571733.4230 596461.3872 5314223.9110 2253477.3990 247885.9647 225656.4329 182262.8525 279145.1694 361035.6486 534748.1674
Hirsutin.2 125303.8210 191349.7277 1670749.9050 415607.8717 331919.7199 69936.0463 290984.3575 212297.5902 207070.4334 247546.4484 132876.8427 187427.6881 294022.3760 1419788.0410 646226.7171 207224.1898 988485.7013 431250.8320 124480.0303 111338.4221 93092.1559 122989.6774 171401.3710 195153.8067
Histamine;Betazole;Histamium 198189.1410 883805.4562 1028877.2070 510085.3019 616165.3598 619884.6664 574385.7412 1484272.6980 1075267.1800 3416691.4190 1926151.2330 251232.3238 2374381.6550 127866.9630 392354.3554 696849.3404 376429.1474 486249.9685 695294.1306 106086.3704 997443.2431 282134.0355 232349.4026 1567372.3250
Histidinyl-Asparagine;Asparaginyl-Histidine 602336.5857 505604.4335 1426076.8340 899546.0173 676977.0784 497709.2337 1062462.2000 961985.3282 603975.7845 1239378.9890 952564.6208 729323.9293 1017304.4700 1576786.2890 1168497.4910 695154.2948 2312696.1260 1641013.6740 486208.0390 594098.3674 398962.5991 463280.3386 685750.8768 576765.0471
Homoarecoline 1911901.3110 1928009.4800 1142924.1990 923754.6226 988485.3488 1014289.0610 1166425.0760 1089177.5990 1295160.0290 1165654.0710 1481277.8090 872671.6901 866255.3853 1402082.9680 1645927.7090 1627018.4430 1170103.3430 900554.3125 1016248.6860 1260242.3510 1005526.5100 942075.7678 861028.0500 1059906.1700
Homovanillic acid;Hydroxyphenyllactic acid;3_4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2_6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1_2_4-triol;3_4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2_4-dihydroxyphenyl)propanoic acid;2^_6^-Dihydroxy-4^-methoxyacetophenone;3-(2_4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3_4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2^_4^-Dihydroxy-6^-methoxyacetophenone;3-(2_5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2_3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3_5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1_2_3-triol;3-(3_5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-Hydroxyphenyllactate 878527.6190 717847.8516 1069981.5290 1019986.4600 1029218.3060 672533.7584 2154939.7020 2054534.7730 1110803.7080 1717369.7510 1073713.8410 1712922.3350 941235.1014 1256497.9410 644829.6921 532874.2766 1115259.9220 1080248.1590 789952.3253 627885.7015 643077.5479 997287.4385 675406.1200 1014671.0400
Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3_4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2^-Hydroxy-5^-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2^-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1_2-diol;4^-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3^-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenone 1209800.3530 1402064.8690 959425.8416 723364.3164 783889.9850 737172.3417 797401.1107 759473.5807 787320.6937 788203.5589 1162841.2240 565633.5986 658352.7232 1044398.0370 1071099.2970 1067261.3620 738759.1276 551272.2989 574876.4591 741378.7745 623172.2416 543317.4156 536528.4316 708850.6372
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine 746457.9797 810732.2982 4010080.0710 1300690.8670 1149651.3130 396183.0609 1403919.4030 380237.5239 585328.9088 1185311.6260 1398292.0960 1771068.2010 6079489.7660 1226537.1430 2170501.7480 433007.8365 2977827.3350 4398675.6070 683096.3129 304247.0092 633865.8691 680788.1662 432874.3455 943458.1220
Hydroxylated lecithin 637354.0275 322886.5135 630386.2709 671990.1273 540177.3425 138669.8179 1238128.5960 789967.5251 411511.6553 462423.2214 647268.2674 453182.3267 462080.3411 447782.4998 409435.1890 568236.8861 462552.9516 462585.3108 187730.1419 298980.8955 298606.8331 414719.9681 272777.8046 872915.6829
Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;Leucyl-Hydroxyproline;Hydroxyprolyl-Leucine 3337318.4760 3428895.2510 2504048.7590 2017266.3070 2057596.4320 1842592.5990 2158270.4490 1889760.7360 1930094.0190 2070568.8850 2676158.8790 1703637.0270 1889338.5370 2804409.2660 2777261.8780 2762930.8130 1935657.0890 1634999.5610 1491649.8020 1783419.5110 1545476.2960 1348752.6100 1336312.7040 1710516.4960
Hypotaurine 249983.0000 221124.0000 485236.5000 459073.4000 287858.5000 259085.8000 387755.3000 233049.3000 328544.8000 389268.5000 692396.2000 1100018.0000 426238.4000 715766.5000 713996.7000 210827.9000 979669.3000 771810.9000 314485.8000 164453.9000 223957.1000 288595.8000 204232.7000 399976.3000
Hypoxanthine 2153407.0000 2023752.0000 8484412.0000 4499181.0000 519209.7000 891380.1000 1998677.0000 2226791.0000 136844.5000 2363771.0000 4975193.0000 1035118.0000 6243789.0000 4180726.0000 3683750.0000 375765.3000 6334846.0000 6481895.0000 398479.3000 36881.3500 176000.7000 223167.6000 411429.7000 547956.8000
I(-) 739305.3839 735269.8637 2018813.1000 766256.5175 1760573.7380 300749.5964 3933327.6180 1216165.1200 402121.5898 325344.1334 934879.8512 7352356.1730 712255.6855 1566192.2730 563800.3843 344710.2886 457933.2001 665582.5645 368381.0417 374899.3987 398295.9687 290425.8112 977988.8075 832129.8299
Imidazoleacetic acid 414034.1000 333140.0000 415503.1000 420211.0000 387617.6000 402892.0000 746387.9000 985993.1000 584876.9000 1293636.0000 2466189.0000 925796.1000 902481.9000 778575.8000 409346.8000 612261.1000 915873.6000 729119.2000 460786.3000 746101.6000 533500.3000 478154.9000 535082.1000 667128.2000
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4_5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil 165439.8545 56833.2516 142039.9756 584117.6979 94615.3009 61468.4665 181041.6472 119513.6171 119345.5822 133078.8358 478466.0714 163349.9424 174965.2217 734374.0467 721772.9614 252685.6401 220568.6327 925118.6053 183465.0475 202649.8442 76165.8861 117046.7661 303541.1006 248536.5519
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene 38910718.5400 21936814.9500 37789184.1400 10088969.9300 25840213.8300 26413382.6600 16246940.6100 18850281.3700 20323002.2300 15946304.1700 6769094.5210 17956584.8900 31651522.1800 27445306.6300 21125513.3900 19056198.1200 17465605.3100 13984837.4900 8770797.7500 14749585.5600 12500714.2600 14839068.4400 14728393.9600 11974788.3900
Indolepyruvate 389758.7034 443979.5699 404148.0581 320372.5475 431160.7196 352887.5189 808932.4756 370506.4420 271122.7853 362422.7597 100085.9754 144041.6232 466016.3284 666153.5938 114836.2888 71098.1340 935098.1383 486356.3420 536388.9419 107601.1097 395647.8979 472364.3328 298798.2088 394768.3281
Indoxyl sulfate 6325571.0000 5921913.0000 6237621.0000 6898629.0000 8239069.0000 5357540.0000 10501420.0000 7639519.0000 11057970.0000 9143112.0000 4048391.0000 3977036.0000 5880663.0000 5383620.0000 1451477.0000 1999805.0000 8572529.0000 5358585.0000 7368944.0000 1528991.0000 6837489.0000 8514980.0000 1845706.0000 8171055.0000
Inosine 2698121.0000 1059333.0000 4735956.0000 4034399.0000 340690.5000 2227066.0000 1461410.0000 866833.5000 109829.4000 337195.6000 306293.5000 793601.1000 4447410.0000 4594142.0000 3537175.0000 275517.5000 4419833.0000 5839651.0000 362168.3000 84940.4100 139537.7000 2027715.0000 520259.9000
Inosinic acid 159353.8000 107396.5000 990486.1000 4364078.0000 125988.5000 9822.2530 255356.4000 13214.0700 99849.4900 78072.5900 761421.8000 316755.9000 902363.7000 400257.6000 727938.3000 77291.8100 1576136.0000 1435208.0000 161099.3000 31153.9600 51147.4100 97385.9900 193399.3000
Isocitric acid;Diketogulonic acid;(1R_2R)-Isocitric acid;2_3-diketogulonate;D-threo-Isocitric acid;D-Glucaro-1_4-lactone;2_3-Diketo-L-gulonate 9036.7545 11338.0112 19593.8991 22070.5510 19173.1355 14588.0610 14772.3179 267453.7840 1313641.9210 113126.0161 43801.6699 47692.2593 62530.0361 83541.1275 38187.5439 18274.2471 21327.3004 30026.0800 32174.0130 45986.8835 93374.7529 35317.8653 36507.4425 30263.3782
Isocitric acid;Diketogulonic acid;2_3-diketogulonate;(1R_2R)-Isocitric acid;2_3-Diketo-L-gulonate;D-Glucaro-1_4-lactone;D-threo-Isocitric acid 4548387.7590 4214518.7470 5018849.0680 3984688.4120 5448745.7640 2735857.4560 7355007.2340 5879925.5720 5362172.6300 7729806.5660 6687583.0490 5086059.8090 6909109.1820 7126216.5180 8560687.7470 4537774.3290 7567160.4030 9473966.4100 7141398.2540 2960614.0900 5956754.5160 7336991.0790 6404604.9610 8246060.8960
Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Leucine;Threoninyl-Isoleucine;Spermic acid 2 57241.9320 49395.5286 229297.6879 371760.0902 77722.7619 17102.4946 59979.9660 37031.9836 36188.4128 61412.0293 47372.9778 57775.4711 143814.2227 225214.9267 195003.4619 14936.8299 519460.5857 357178.9917 51627.3803 14481.3727 27422.8822 36383.7555 35391.8780 72171.2044
Isosorbide Mononitrate;gamma-Carboxyglutamic acid 279706.1356 72685.0121 214717.7756 614740.0133 117955.7949 54163.0809 176858.3370 112346.8640 140048.0509 174621.0517 168397.8939 140152.2334 310365.7408 93080.5789 178635.3571 58585.5995 342205.3005 220888.7640 123220.8684 40160.3487 84958.2085 127497.6865 90758.2671 188135.1937
Isovalerylcarnitine 257282.8000 253770.3000 554215.4000 422731.8000 428819.8000 345489.8000 813194.9000 523526.8000 401913.3000 790100.7000 621622.0000 954236.2000 734157.0000 842154.0000 949551.1000 397438.0000 1458476.0000 762090.1000 258077.0000 237386.7000 235782.8000 258555.8000 316802.3000 402168.0000
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;Betonicine;5-Acetamidovalerate;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Calystegine A6;Turicine;Medicanine;Calystegin A3;Calystegine A7;4-Hydroxystachydrine 347905.9238 236789.8361 974617.3318 728609.1232 247527.4397 107309.0090 855390.3824 383092.3414 288700.1173 362361.5602 771428.3980 396695.2397 436671.8872 1145019.1420 755073.6986 452173.9979 546576.8741 935157.4620 151209.1522 171852.2548 171618.0443 190479.2315 236385.9663 324553.0695
Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-ketovaleric acid;4-Acetylbutyrate;Adipate semialdehyde;2-Ketohexanoic acid;Mevalonolactone;Acetoin acetate;Sherry lactone;Ethyl acetoacetate;(4S_6S)-3_4_5_6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one;Methyl levulinate;5-Ethoxy-4_5-dihydro-2(3H)furanone;3-Oxohexanoic acid 7354424.6690 10055178.4700 9979955.4130 7604751.9210 7495351.6340 6945011.0930 16738772.3300 22119427.2100 14042198.3200 17560752.2000 16438795.7100 10402294.8800 6514695.4030 4462799.6190 5621209.2880 8805175.6220 6092450.4470 8149610.2250 9488435.9260 12435438.0900 10263029.0800 12651261.9500 12211849.3300 8678220.3590
Kuwanon Z 7618.7753 5073.9803 1089780.4710 3156326.5750 11860.7256 3987.2598 15112.4976 4356.7346 4530.5185 7872.0277 4664.5687 5242.3240 1818646.7350 548592.4178 893693.6468 4257.1918 2239128.5910 1815515.7570 4521.4062 4115.3543 4005.7369 4177.2767 10706.5973 110174.8069
Kynurenic acid 41015.6300 45758.7000 80447.6300 76725.6700 85856.2700 65339.8900 136721.9000 84180.8600 44150.0800 100499.8000 78797.0200 57583.4100 73574.2300 55605.9200 41413.3000 60430.4400 61717.8100 49691.1500 36356.1200 27595.2100 37743.9300 50319.7900 51409.8800 64863.4300
L-2-Amino-3-(1-pyrazolyl)propanoic acid 57221871.5000 17707768.9300 38673449.6600 47474363.7100 23420043.6400 31116914.3400 33742538.8700 34053536.9100 15921862.7000 30291460.1000 24898172.6100 56103096.4900 43533769.6200 45797552.5900 23906853.4800 29150967.8500 50041842.1500 45105627.2700 45747244.0300 22347961.6200 42960256.5500 17164450.9600 28849257.6200 24444526.9900
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2 15770716.2400 1215358.9440 2894008.1600 21433092.2200 17706603.9000 14797995.1000 24416416.0000 31379301.1000 8845378.0670 2256053.8680 1240619.6390 12139561.5000 9208824.4310 8550386.5890 9704379.0560 9670244.6810 477290.8800 2223467.2150 1515836.2430 8906932.4920 797880.0951 24999142.5000 14283503.3600 25019198.3200
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid 474034.4285 389037.6032 1197231.2460 854349.3054 757988.4675 812698.4649 816709.4526 841277.0797 732575.1626 1360490.3160 491347.9329 502620.7923 1094253.0240 1046566.4770 1181791.2320 785369.6832 1299446.7220 1301277.8110 544199.3317 509183.3591 457849.1765 617589.5606 616744.3003 517840.0874
L-Acetylcarnitine 106088200.0000 98933820.0000 120659700.0000 89313180.0000 90854500.0000 91453290.0000 112641600.0000 92438010.0000 119860500.0000 120881600.0000 141327000.0000 128274300.0000 126244200.0000 85608450.0000 93137860.0000 81867040.0000 96929410.0000 106908200.0000 105079500.0000 63123910.0000 91738730.0000 86703440.0000 66706700.0000 108051900.0000
Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositol 59867.4941 10468.8919 554562.3808 984479.4406 25187.0529 2229.9697 80242.9768 7520.5810 5707.0313 510005.7874 435317.4969 18984.6046 78049.8490 221619.0874 120191.2388 6630.5357 171147.1526 336823.8931 13727.2444 4862.5178 82540.9927 94406.9859 14326.4151 205882.4996
L-Alanine 17344900.0000 15169750.0000 27366340.0000 21743930.0000 17295600.0000 14311990.0000 22775470.0000 22361230.0000 15244090.0000 23035320.0000 19602330.0000 17872230.0000 23766200.0000 32307450.0000 25829770.0000 18584610.0000 43076100.0000 30540020.0000 12557100.0000 15318240.0000 10767810.0000 12334620.0000 16384520.0000 14859560.0000
L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoethoxyacetic acid;Hydroxyethyl glycine 697548.7144 475861.4979 941971.5076 685931.9541 714581.4935 804404.9914 1262043.0560 894101.2984 662571.5999 1153144.1810 611611.5865 487115.7090 1111448.4470 611968.6610 814404.4484 791198.2274 479159.0707 698460.2770 540082.6685 538092.3722 437913.2195 483724.5267 589868.4201 488818.4205
L-Arginine 37933500.0000 35970830.0000 43326590.0000 41730650.0000 45075010.0000 43066370.0000 43487290.0000 47779330.0000 43383420.0000 64866210.0000 57966690.0000 47022420.0000 49011640.0000 34227040.0000 40362390.0000 43718300.0000 30969730.0000 32747410.0000 14943030.0000 29463840.0000 31445040.0000 28097380.0000 28515700.0000 26849830.0000
L-Asparagine 14487590.0000 12343120.0000 18220350.0000 14166620.0000 16668430.0000 18402250.0000 19829380.0000 26049370.0000 17817150.0000 34531320.0000 26441750.0000 38428100.0000 24775980.0000 22637380.0000 25052880.0000 23668040.0000 24281930.0000 18509470.0000 16264650.0000 17091590.0000 14884170.0000 16967900.0000 21059040.0000 18267210.0000
L-Aspartic acid 1075040.0000 306094.5000 1184011.0000 1653210.0000 383529.1000 260335.3000 578477.5000 296028.1000 367823.8000 865015.1000 1322681.0000 520406.5000 1671873.0000 746728.7000 1369451.0000 427843.8000 3407204.0000 1545498.0000 385590.8000 404418.7000 315562.3000 301013.5000 414697.9000 572311.3000
L-Carnitine 153462400.0000 142595500.0000 165832100.0000 144134400.0000 146443300.0000 121104500.0000 148079100.0000 136084900.0000 145110300.0000 141216500.0000 142308500.0000 176376500.0000 187469400.0000 181369100.0000 175182200.0000 120966800.0000 227622300.0000 166167200.0000 122124000.0000 111662800.0000 100277700.0000 105166800.0000 105760400.0000 126508300.0000
L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Amino-2-pyrrolidinecarboxylic acid 377242.8706 358629.4760 810588.2314 506855.4464 404522.5790 303470.6457 534796.5714 506556.3258 347568.8301 692979.9466 488905.3478 395816.0537 695892.4701 979052.1157 717377.8989 444754.4303 1167130.9700 910731.1175 264686.1405 341634.1909 243815.5051 310594.0718 400172.7206 330983.4733
L-Cystathionine 176121.7000 48176.0200 85840.5200 93525.7000 31789.0000 42447.2500 107911.1000 85354.5500 45010.8100 80174.4500 90937.7500 65789.3400 135384.5000 100344.8000 79686.2300 50986.9800 182666.3000 77072.5200 56177.6000 35018.4500 48763.7100 53546.2100 61908.0900 88329.4800
L-Cystine 88523.8400 81017.9700 19157.6600 5852.4780 100657.0000 500051.8000 109149.9000 399650.0000 481464.3000 328290.5000 196543.0000 128190.9000 12322.5400 4499.3860 288973.1000 113245.9000 356778.3000 87540.6700 262483.3000 70807.9800 69742.4900
L-Dihydroorotic acid 231028.1000 85899.1200 120638.5000 93661.2800 95837.4300 78768.7000 102278.8000 48352.4200 63489.0100 60634.3600 88381.3100 101670.3000 119043.9000 139831.0000 63049.3200 56612.2900 100526.1000 67852.6300 59193.0000 48405.3200 68529.7300 55176.7900 87580.4800 66625.9100
Leucylproline;Isoleucylproline 424929.3282 482309.5101 645622.5392 656560.2170 539298.8697 441404.3614 613223.3775 442822.8734 596581.2947 1247411.1430 2025269.3700 516786.9571 374978.2981 368395.6264 354251.0608 308489.9746 367082.1581 458052.7443 347210.8853 270844.5028 333512.8262 413544.5239 257207.1436 539833.8475
Leucylproline;Isoleucylproline.2 565963.2525 620734.9922 851235.4960 828058.9469 768278.9935 584638.8616 830580.9366 626409.4686 794240.0704 1190847.9590 1890320.1770 701092.9712 487259.5322 521164.4358 462934.3270 448701.8468 496397.8549 499722.3023 426076.0690 347072.9886 438340.7190 569878.0065 373937.4481 661730.2230
Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleucyl-Serine;Valyl-Threonine;Threoninyl-Valine;Meprobamate;Pantothenamide;L-Lysopine 1204233.9280 1130572.0600 1545336.6850 1638042.0330 1944191.4890 1080252.9090 2125496.5950 1568059.5430 1847212.8320 4759586.6970 2956298.7910 1148330.2840 2237477.7360 1611366.5710 1387877.3710 1740430.7350 1570174.4410 1990956.0070 1428147.1630 1320509.6020 1775698.7790 2103855.0620 1314538.1060 2281827.7130
L-Glutamic acid 44232820.0000 19276490.0000 47967190.0000 36071900.0000 18615220.0000 11091370.0000 27494610.0000 15441130.0000 19320610.0000 44410350.0000 41601550.0000 24093360.0000 73617180.0000 27141830.0000 35933140.0000 18303860.0000 90148430.0000 50403350.0000 17208550.0000 13035430.0000 14029580.0000 16537300.0000 13959570.0000 23194520.0000
L-Glutamine 170395500.0000 163395000.0000 226879200.0000 187392000.0000 182855800.0000 150424700.0000 169032700.0000 167370700.0000 173090800.0000 226253100.0000 206731500.0000 243493500.0000 219261300.0000 204358300.0000 209490800.0000 151373100.0000 297868600.0000 243516100.0000 169144800.0000 146733800.0000 158041300.0000 177473000.0000 172804000.0000 162449300.0000
L-Glyceric acid 1427435.0000 1259285.0000 2628163.0000 2411522.0000 2354038.0000 2344980.0000 3442197.0000 3609005.0000 3492437.0000 2259776.0000 2410199.0000 3063552.0000 2491426.0000 1343241.0000 1443879.0000 1358665.0000 1950437.0000 2667199.0000 3844654.0000 2492115.0000 3023908.0000 3659774.0000 1507155.0000 2829824.0000
L-Hexahydro-3-imino-1_2_4-oxadiazepine-3-carboxylic acid 273979.7317 65744.7500 182238.2078 375057.3156 10537.1031 7311.5509 409396.5506 14752.4181 7954.6704 14769.8174 15072.7665 28878.6998 98850.7333 178547.2569 50786.7900 45188.3901 93570.6463 82618.4332 6753.1362 6655.5514 6171.3702 7469.3128 6259.8117 24022.0395
L-Histidine 13256230.0000 10120440.0000 19118620.0000 23735260.0000 16599680.0000 12455790.0000 29611340.0000 32982430.0000 24805990.0000 43381760.0000 34524770.0000 56998640.0000 35871810.0000 35107170.0000 34578660.0000 24921420.0000 56103580.0000 36219030.0000 25616860.0000 26673780.0000 27201920.0000 28311530.0000 31611360.0000 27592580.0000
L-Homocysteic acid 343754.3485 69326.5708 504625.9980 858107.8684 48808.1494 23290.1810 217320.3674 27160.4350 19779.4555 39779.0549 65001.2034 138802.0352 424804.8555 266473.6840 223580.3541 50635.5294 306870.5212 237396.5006 49703.4397 9814.8900 20119.0169 29859.2877 37642.9613 99445.6259
L-Homocysteic acid.2 813247.3817 13625.4369 175002.1042 103417.8903 21970.0509 12629.1784 19286.0729 42646.7105 10781.7173 11953.0991 4403.9895 19398.7850 106032.8562 36708.5724 22516.3910 15314.6434 70248.5379 55885.3103 9870.8359 4102.2674 6642.4047 5477.6346 10766.3449 8978.0590
L-Homoserine 16264530.0000 12822550.0000 39218290.0000 31053930.0000 24687300.0000 24239280.0000 28248350.0000 30035880.0000 26021340.0000 45923770.0000 18494300.0000 18976430.0000 34528980.0000 38317220.0000 40972310.0000 26002480.0000 42461930.0000 42637440.0000 19216140.0000 17515890.0000 16314260.0000 20889540.0000 20029200.0000 18612690.0000
Linoleic acid;Dihomolinoleic acid;9E_11E-Octadecadienoic acid;Ethyl 2E_4Z-hexadecadienoate;Mangiferic acid;5-Octadecynoic acid;Linalyl caprylate;Linoelaidic acid;6Z_9Z-octadecadienoic acid;Octadecadienoate;Bovinic acid;10E_12Z-Octadecadienoic acid 25523.7772 57207.4984 171745.9014 22400.4172 156282.7067 433303.1591 494961.0689 2251830.2810 8350531.3820 83033.6697 371341.2724 939031.4007 76342.8803 76498.2755 345324.0377 166269.4841 343778.1204 181596.4263 351990.5677 255801.9914 68731.4772 906357.5783 774539.4852 173903.6176
L-Isoleucine 14305760.0000 11728610.0000 18969580.0000 18055750.0000 17417260.0000 15985080.0000 24574650.0000 24684660.0000 15796070.0000 29928070.0000 18086910.0000 16716240.0000 21891800.0000 21867550.0000 24001800.0000 23046190.0000 27074550.0000 23162890.0000 12704560.0000 15007740.0000 11380880.0000 12411990.0000 20620520.0000 13386680.0000
L-Kynurenine 402710.0000 389573.1000 503036.8000 331159.9000 474990.4000 512844.1000 150550.0000 222249.6000 233026.8000 304789.8000 144427.4000 179213.5000 398920.1000 196812.5000 94489.0800 93978.6800 314185.1000 143690.8000 194831.5000 88599.0000 136660.1000 221273.1000 108024.3000 117593.4000
L-Lactic acid 275462700.0000 221272400.0000 290180400.0000 289543500.0000 338079300.0000 186461400.0000 402285800.0000 249614600.0000 321053500.0000 601180400.0000 627279400.0000 269415700.0000 364054300.0000 304048900.0000 285256500.0000 276478100.0000 260080500.0000 312712100.0000 234128000.0000 184842100.0000 219095500.0000 323568100.0000 204505200.0000 383200800.0000
L-Leucine 22625700.0000 17735400.0000 27569090.0000 26392190.0000 24138310.0000 21175240.0000 38180780.0000 36996460.0000 21382180.0000 47774190.0000 32924290.0000 27199620.0000 32933510.0000 35625720.0000 39813790.0000 41489740.0000 44243270.0000 38544780.0000 18042260.0000 23450160.0000 20268390.0000 18455660.0000 34954580.0000 20289560.0000
L-Lysine 26930270.0000 21599430.0000 39504880.0000 32395570.0000 43036450.0000 37888330.0000 30433660.0000 40346130.0000 31730340.0000 51031920.0000 28745480.0000 28926360.0000 49510800.0000 38802610.0000 36602490.0000 37002020.0000 43724200.0000 41633850.0000 22524510.0000 20590200.0000 23182710.0000 21955740.0000 21213260.0000 22283600.0000
L-Menthyl acetoacetate 441082.1111 420961.6996 705991.1377 378561.5275 536379.0788 526317.0264 569802.6160 510844.9144 883430.2095 362933.3156 805533.2710 1139348.1510 302352.0036 106736.5440 139890.2627 223526.7594 189828.3446 284321.7258 852715.1378 368833.7443 553022.6295 1064487.1280 262340.5355 831808.7818
L-Methionine 10954130.0000 7925859.0000 13776300.0000 10597980.0000 13513180.0000 11763340.0000 15221380.0000 18346060.0000 11820290.0000 19911720.0000 12018390.0000 13519990.0000 23984280.0000 16889960.0000 18203940.0000 16756700.0000 19925540.0000 16700510.0000 8168721.0000 9603935.0000 7505354.0000 8649054.0000 11721030.0000 8132751.0000
L-Phenylalanine 13552300.0000 11104700.0000 17143470.0000 16118410.0000 14737910.0000 12023960.0000 23583610.0000 20620180.0000 14689510.0000 25542950.0000 19849620.0000 22855790.0000 18495750.0000 18259640.0000 17014380.0000 15124790.0000 20909630.0000 18279520.0000 12710830.0000 12206480.0000 11273450.0000 14335110.0000 14551020.0000 13181140.0000
L-Pipecolic acid 3581351.0000 3031148.0000 2907115.0000 2127806.0000 2294889.0000 2165566.0000 1957389.0000 2081200.0000 2158005.0000 2623297.0000 3428426.0000 2650529.0000 1989058.0000 2346396.0000 3487895.0000 3007014.0000 2708521.0000 1909434.0000 1705393.0000 1681677.0000 1353774.0000 1501362.0000 1638610.0000 1657010.0000
L-Proline 45728750.0000 30175170.0000 65848750.0000 55372770.0000 65948120.0000 43909690.0000 106950300.0000 139467100.0000 67399610.0000 143802900.0000 89480380.0000 101240700.0000 90522200.0000 115387300.0000 112471200.0000 109298900.0000 135338000.0000 104622900.0000 39168780.0000 61649260.0000 36156720.0000 40604940.0000 87614530.0000 50980320.0000
L-Serine 6602763.0000 4451043.0000 8797447.0000 5605407.0000 8478574.0000 8434664.0000 9088933.0000 10743040.0000 9491548.0000 12468500.0000 16796780.0000 13198150.0000 9234864.0000 6175750.0000 6678392.0000 10201590.0000 6130227.0000 5671574.0000 8159573.0000 8700766.0000 10470950.0000 8523857.0000 8739871.0000 7318220.0000
L-Threonine 17451450.0000 14565150.0000 32692460.0000 22046050.0000 27376950.0000 28883490.0000 27600070.0000 31530950.0000 24834410.0000 37356650.0000 21606180.0000 19469790.0000 35338260.0000 27501720.0000 32531040.0000 28862890.0000 36481030.0000 33292470.0000 19173430.0000 19864420.0000 17417820.0000 20912150.0000 23078230.0000 18897010.0000
L-Tryptophan 11770530.0000 13556800.0000 20640660.0000 16083550.0000 19659620.0000 17585730.0000 21850900.0000 22267620.0000 16348960.0000 21884230.0000 11278440.0000 15237460.0000 26067210.0000 19021570.0000 11229120.0000 9763285.0000 27004020.0000 17532840.0000 16934890.0000 11599550.0000 12570110.0000 20365650.0000 12548390.0000 15206830.0000
L-Tyrosine 5342592.0000 4722071.0000 7858684.0000 6179733.0000 6868959.0000 5348672.0000 13913740.0000 14585250.0000 8414885.0000 13642910.0000 8136060.0000 16300370.0000 7579527.0000 11543500.0000 9504810.0000 9695744.0000 12177830.0000 7643934.0000 6567359.0000 8100630.0000 6151038.0000 7647537.0000 11114970.0000 8073906.0000
L-Valine 20569440.0000 16763480.0000 28407960.0000 26599370.0000 28594780.0000 24900540.0000 46122300.0000 41483040.0000 24423420.0000 42073220.0000 28974140.0000 28443610.0000 35947860.0000 34902180.0000 36019990.0000 37526420.0000 38704670.0000 36880350.0000 19103230.0000 25206620.0000 16125900.0000 17266860.0000 34405040.0000 19938460.0000
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2_3_4_5-Tetrahydroxypentanoic acid 1950638.2840 843233.0511 2952706.3680 3874886.3510 1093489.6020 920847.5998 1784726.9480 1351821.5740 1289627.6730 2739086.0150 2064484.9690 1543201.2530 3374526.4510 2231802.3000 2315457.2270 881594.2572 5144282.2270 3364312.6770 1231701.4660 869254.3451 1193794.1600 1428477.7550 983479.7227 1482835.0230
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2_3_4_5-Tetrahydroxypentanoic acid.2 2037255.5780 1276772.0760 3038943.4480 3542779.5380 755972.1810 571008.2318 2004431.3610 1508291.2900 838016.7305 841687.6839 668166.7862 1114027.3880 3188341.2930 2485212.9030 2469939.3250 401206.7417 4014800.5620 2822772.4650 1143916.2160 726564.1845 885106.1007 983252.0330 824738.1203 1112675.3940
LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0) 14207.7393 11663.2341 55163.4857 32602.3556 21724.9964 47953.1063 256864.9226 772603.4884 3048437.6550 326475.0259 284055.7974 17872.7784 17005.0105 12378.2639 84543.8179 5462.6310 109456.7503 44364.2218 59863.4901 57793.2207 46546.6852 302837.5494 188209.1837 104403.0811
LysoPC(18:2(9Z_12Z));2-linoleoyl-sn-glycero-3-phosphocholine 5241.3508 2678.5829 8086.2887 4597.7129 4627.4491 8913.7598 576123.5915 1713043.2500 5622725.1660 405195.9179 583563.2484 15182.0359 3846.1947 4951.3876 15286.9957 4364.3684 29663.5597 4074.5373 57583.3182 43977.2683 2578.4450 352073.7479 210670.1994 173746.8846
LysoPC(20:4(5Z_8Z_11Z_14Z));LysoPC(20:4(8Z_11Z_14Z_17Z));2-Arachidonoylglycerophosphocholine 5180.5096 2744.0578 29134.5941 5867.8725 4717.8925 22115.7512 211687.4428 612311.8891 2197604.8280 157414.9385 214413.1402 9796.1632 3686.6998 4876.7012 5869.1953 4183.3859 32672.0458 11148.6245 40952.0753 37152.9422 7482.7067 176784.7522 57843.0428 92305.4315
Lysyl-Valine;Valyl-Lysine 1057776.1900 400120.9506 964987.9292 2264719.9880 522982.4886 82383.6976 318923.2494 302050.4630 207632.9832 610746.9608 473060.6572 337500.8654 1621957.7860 994530.3974 1028251.1910 145391.4140 1671560.0870 1870318.4780 216637.1835 83600.3034 250372.2431 256857.3418 265077.7373 337324.3203
Malathion;2_8-Di-O-methylellagic acid;2_3-Di-O-methylellagic acid;Blighinone;Inosine 2^_3^-cyclic phosphate 14123.8630 17729.3135 13559.6275 184868.8175 6859.7034 15113.8453 9731.6407 6115.1601 5964.9761 6569.4413 6454.1940 177131.9735 20470.8768 16505.0824 30383.6060 15581920.1100 24294.2997 28928.0887 6918.2431 10234.1483 5558.1557 11014.9765 5061.9284 11555.5958
Malic acid 75881400.0000 37504660.0000 69881940.0000 66652090.0000 50170790.0000 44183800.0000 67938010.0000 45701480.0000 42542680.0000 90670250.0000 69001880.0000 60295260.0000 55393140.0000 36303680.0000 44159220.0000 45914900.0000 97938310.0000 51153640.0000 29072880.0000 24970170.0000 27677920.0000 35117550.0000 29298490.0000 42067040.0000
Malondialdehyde;Pyruvaldehyde;Acrylic acid 2535023.2990 2637782.5460 5143653.5770 3951506.7800 2997504.6020 2403591.6450 4020532.4510 3306523.9450 3614122.4300 5294310.0410 3169979.9630 3739414.4400 3999193.5490 4988181.0170 4683251.1630 2793607.5760 5003014.2990 5817798.1650 3574093.3670 3371745.8710 3274143.3520 4254601.6620 3283203.5730 3652731.0730
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2 1039033.5530 1132210.7470 2371460.2990 2636183.6570 1371115.6080 1437796.5230 1802525.1550 1660156.6990 1731774.0430 2592171.5100 1617775.7330 1523956.0190 1615168.6140 2019899.3240 1927588.1360 1038603.7000 2297960.3030 2820221.2960 1375409.1500 1324282.0070 1357861.9860 1737770.5910 1366288.0510 1520488.5130
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin 114791.0375 121313.8226 198366.2223 233541.0497 158935.1893 77269.0952 198785.1474 112279.2151 114231.1125 183568.0617 443677.4529 235071.5839 393018.9133 230236.0863 362230.4733 79312.7979 673245.6067 393373.2069 148787.5587 64669.8380 121655.2718 156230.1504 103657.3496 221666.7873
Malonyl-Carnitin;(S)-carnitinium 30005.9377 20685.7836 22664.7538 22332.2548 20554.4698 17676.1059 20084.3520 210854.8121 20004.7670 167730.5387 32964.9317 284924.5179 26277.3181 28802.6520 182338.8103 26010.6691 34546.9849 26100.4653 304212.4227 14424.5722 15680.5282 13204.6634 15922.2759 15170.8219
Maltol;1_2_3-Trihydroxybenzene;1_3_5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1_2_4-triol 500052.8914 461062.4159 891025.7057 806878.6780 483899.2254 544554.2827 648794.0550 588659.1299 653862.7455 973826.1776 611446.2945 692772.4719 815767.6831 948366.8472 884200.5728 523556.0623 904417.4832 992854.8815 658849.5002 599043.8698 643972.4795 688675.3774 564814.4109 650596.0445
Maltol;1_2_3-Trihydroxybenzene;1_3_5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1_2_4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde 11486.1085 10013.9211 15043.2867 13967.1834 11593.7776 10207.6205 11023.5799 18617.3714 11073.1638 2604596.3990 337983.6065 14691.7824 15107.2732 13546.4528 13696.8055 9896.1238 17829.0861 17206.6282 10951.1828 8762.5856 10275.7588 11187.3675 10497.1037 10552.7629
Marcanine A 9385.6895 5776.1615 21696.2317 8262.7604 7151.2309 5800.2289 8638.8706 9521.1859 8455.6856 40235.2663 477996.6164 6967.0178 14796.4675 10805.5116 9612.6934 12064.5400 11512.5840 10680.6923 7311.1891 6555.0483 7112.7133 7405.3999 7005.1401 13573.1279
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2_3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2_5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3_4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl Phenylglyoxalate 47521.6866 41865.0116 11991.0842 45860.8522 46928.3792 38947.6845 8082.5037 6267.0272 112922.5886 617460.8454 56209.3597 23669.5440 114203.8179 14332.4490 5784.3671 22618.8496 20978.5342 10649.7627 33712.5590 27672.4691 48083.4699 40942.9721 9533.9490 24053.0793
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2_5-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2_3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3_4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate 4925403.0380 4252180.3070 7079832.6750 5680900.7050 6113543.2880 4580446.0810 12370982.3700 12917548.6900 7793495.7240 12418877.8900 7375424.8160 13576819.7900 6866912.5270 9992799.7850 8244144.8270 8784207.3200 11554873.5200 7273049.3350 5645193.3250 7323804.5070 5270646.6980 6980744.6710 10525909.5400 7045961.0230
Methoxamine;Orciprenaline;Isoproterenol 1251255.8470 1077948.5100 1425798.3310 1372971.2130 1480936.6180 1951022.1590 1143206.2120 1131603.2990 1030342.5040 1152900.7090 1380477.1010 1168525.2070 1293316.6750 1231371.5230 1151981.8570 1516854.9890 920506.3379 937237.3976 820315.4715 1275535.8300 768247.5082 910866.2772 1120460.5930 1157717.7010
Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfide 315386.9052 304443.1871 604173.3083 1467021.0860 682778.3787 862898.9747 560429.1267 881803.2465 1613111.7290 2094647.6450 928188.0188 1295079.5680 648699.3434 165750.1714 261149.7629 226824.0444 1457847.1720 968183.8568 1121407.2030 827314.8731 1051357.2800 482475.3661 719262.5372 1251690.5800
Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfide 138126.5107 94021.2706 6771234.5610 9399931.9100 5780685.4350 6186404.0870 5382836.6000 6101512.9590 6547185.8000 6044547.4390 8670262.3160 5178886.6210 7241890.3430 71229.7932 98069.9965 103973.1314 6351312.9410 5496903.6610 5210085.0950 6973264.7920 5864072.7090 3943054.9160 4141862.5350 4948152.3700
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1_3-Dimethyluracil 640951.8591 490876.1639 760257.6468 791105.0941 782066.6212 672067.4694 904667.4209 613659.0616 600953.5373 560139.8177 439856.6066 523154.9648 702078.1185 684196.9999 357582.5600 210887.6977 757071.4487 909994.9360 494819.4035 179148.5975 361065.0486 452793.7550 228261.5389 561056.4831
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1_3-Dimethyluracil.2 237196.9132 119479.3577 197888.1713 301812.5352 242661.9799 323006.2979 356772.8406 300119.7595 205612.5531 307941.8677 252474.2591 219641.7967 427080.6187 362338.9334 104556.9589 123154.4359 630728.0658 314649.9998 76826.5990 89148.3627 83386.3377 139572.4550 90679.4229 269561.5673
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1_3-Dimethyluracil.3 40133.9460 45205.6196 43728.6077 40872.6930 43522.1690 42586.9654 44743.1687 171413.4679 188278.2705 147018.9481 825353.8630 345514.1550 47896.7567 43438.3792 155396.1212 341028.2522 51431.1185 38458.1749 38810.4422 113282.4191 115082.1032 128958.3319 92628.0689 150305.8670
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2_2_6_6-Tetramethyl-4-piperidinone 239218.6537 240700.9160 915532.0994 561675.5529 1679674.9930 581763.0179 210638.6822 1139408.4490 694614.8824 284416.5684 367665.0384 161422.5429 3017657.8680 416631.3852 743244.4685 293849.0071 252888.8188 464869.0639 99389.0716 333573.2885 192718.1092 146903.7257 1225421.1060 119955.4620
Methylphosphate 236645.7285 56597.9525 937279.4742 536862.0391 101719.7654 2423.3612 114806.5107 16767.8443 16507.9198 61390.9363 14632.3070 151223.8112 886247.6429 968612.2545 1032584.5690 4412.2462 1394122.9840 1398261.7290 69688.8494 2621.8092 22474.3602 29574.6805 103207.5483 136885.0332
Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2_3_4_5_6_7-Hexahydro-6_7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4_5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2_3_4_5_6_7-hexahydrocyclopent[b]azepin-8(1H)-one;3_4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine 9541462.3720 7923280.4110 6430444.3730 7750010.5580 10086203.6700 12327926.6900 6411866.4130 5259537.0890 5188740.9980 6011545.2740 7054505.9150 5328130.2000 9201738.3320 8663714.7400 8339684.1730 10439238.9200 7185788.8670 5508199.2410 4132875.6350 5878862.7320 3647017.3280 3969762.3570 4840962.8360 5507295.5450
Mexiletine;Methylephedrine;7-Ethyl-2_3_4_5_6_7-hexahydrocyclopent[b]azepin-8(1H)-one;3_4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4_5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2_3_4_5_6_7-Hexahydro-6_7-dimethylcyclopent[b]azepin-8(1H)-one;Methoxyphenamine 122835.5220 1396631.9640 2589082.6830 2787424.3990 84986.4570 110848.7566 1603041.8840 2212462.8460 1934562.8940 1597223.7750 2352498.8520 2154686.3410 97129.3522 95604.5235 107243.8783 10035.5174 47403.2687 2093556.2250 1170882.5970 1318157.2250 1119429.4490 1608882.2000 1918880.9110 1925443.7770
Monoiodothyronine 473159.7889 185113.8906 216919.1172 130851.9482 246638.1952 171036.1961 368604.8009 238296.2576 235097.1294 609960.2428 716610.3051 324826.5763 319269.0817 77536.8084 98109.2546 224249.4559 72309.0576 55998.0516 280843.7989 272647.6483 244514.3967 275536.6010 276447.5183 371213.0631
Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R_8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S_8Z)-6-Hydroxy-3-oxotetradecenoic acid 2715007.9430 1691595.1520 277318.4365 85701.4975 92538.8099 49786.3822 36635.8786 38922.1963 32639.0088 164525.4724 46806.4933 27118.8518 105853.0565 240236.2126 36072.0173 41462.0541 42405.5432 45867.1889 16181.7788 17807.9712 23559.4152 16414.7913 11070.4034 18809.1082
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine 759120.2246 1484061.8610 4776019.2610 3627824.9140 1909263.5210 605291.5760 1550349.2430 1113875.0950 928572.8239 727806.6022 483606.1431 1046221.5170 4128808.5660 6074616.4020 4450039.5650 1332038.9810 12103570.6200 4874705.4870 591801.8555 520068.8133 446904.3942 666805.0241 894451.1228 1176503.7270
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2 1427077.7860 1083932.0750 4440154.4780 6057814.2470 787109.8462 122979.3810 1452573.1110 129874.3046 191306.0206 377931.5430 196006.2165 791412.0347 5269103.0730 4341668.3280 3849287.3560 468697.9404 11528058.1600 5936370.1680 389836.5052 126354.6950 169984.6123 271376.2237 514629.3286 854076.4465
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3 344829.4760 633584.9609 2998731.8840 1756988.9920 618589.9526 197442.3073 594937.5534 475899.4786 338367.8051 451971.8297 282423.7453 463346.1951 2151251.7340 2188340.5180 1480503.8150 440053.2319 2675447.9630 2159198.7150 226309.5377 242903.2173 128507.6031 240531.7703 246439.3687 564786.7045
Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2_6_10-Trimethylundecanoic acid;Hexanal octane-1_3-diol acetal 161534.8804 380636.9229 560288.4276 96345.4396 680187.9256 675450.6343 555211.8030 1399159.3020 2598434.8620 77892.4273 103509.0501 1252631.1680 223289.9975 608482.4018 1076067.1330 949856.3969 632180.4080 754707.8138 488492.4578 404991.0186 198841.6410 739884.5381 512553.6016 242375.7491
Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1_1-Diethoxy-3_7-dimethyl-2_6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolide 286311.0456 619051.0409 686212.2247 169834.1082 752041.1646 734086.5893 624441.1991 1205237.3520 1780522.6420 49814.4169 123075.4623 1405434.3980 220361.1980 584575.4445 882337.5597 739465.5137 433237.4567 724604.9626 525245.0250 455317.4914 263764.6623 779240.2167 350628.7095 295382.0337
N-(1-Deoxy-1-fructosyl)histidine 753165.7544 1663571.0340 2837829.3260 1999606.3960 687737.5801 774623.0435 248178.6127 564827.0536 305119.6193 174624.7331 169408.2712 309002.4812 2302885.6140 1398277.7670 3350704.5630 373277.5154 6204403.8610 3640626.2770 306953.6815 82566.6928 160801.1079 31756.6431 313413.7852 399320.4287
N-(1-Deoxy-1-fructosyl)histidine.2 277839.4884 134116.3212 743167.5451 2248829.3760 391435.6991 49246.1518 335343.1752 254297.9254 275630.2783 315888.1422 179340.1149 375846.8588 2240530.5140 2142606.5090 1617790.2260 347850.4547 5998749.5300 2649168.9140 248836.8871 48143.2932 100231.0543 218555.9879 248443.7506 547531.1200
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine 1155073.9240 1752532.9520 3361071.1370 2368423.5640 2643191.8590 1629889.1900 2073953.4690 1739409.8000 1798123.8710 745186.6478 564065.2895 1299416.4930 3820113.2480 4699750.9380 4835877.2190 3750770.9450 4727045.2550 4283007.9440 1258566.0390 1329577.3340 1333930.4970 1135056.7990 2094412.7200 950393.5109
N-(1-Deoxy-1-fructosyl)threonine 897452.3296 706785.2920 3765514.2160 3210757.9920 3061056.4650 703520.9937 1688066.9150 1381143.2080 1209021.0530 892846.0375 518111.7982 736170.9782 2559378.3580 3520266.4530 3258702.3520 1853385.0820 6289960.3010 3697234.4640 460248.1079 279021.5874 498845.9876 560607.2267 455185.4030 838313.1884
N-(1-Deoxy-1-fructosyl)tyrosine 187856.4585 276158.7246 471234.0950 455179.8540 632529.9945 158925.0088 423142.2159 523274.7244 354284.2710 159469.8540 102579.2588 479768.1339 707041.2862 830649.2070 546648.4178 725258.1399 1064127.5170 701088.5115 180533.3545 245276.4371 283759.0184 244286.7759 321387.2521 180009.6327
N-(1-Deoxy-1-fructosyl)valine 526588.4247 840936.1135 1446871.2150 1036104.6290 1472889.0070 810175.3212 1262775.9830 1709310.3640 1035598.3740 392892.1181 309666.4105 709574.2856 1526334.4290 2132821.5510 2071012.6870 2284725.4010 1720080.2240 1877906.0410 522325.8110 823970.3089 726612.5325 609393.6902 1088684.9920 456723.8663
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide 1638463.5600 2371076.2840 2356061.0120 1659251.5750 1710840.6330 1355735.1000 4509061.2370 4732408.8080 3767070.6180 3999560.9350 4561900.9030 1547060.9080 611915.7944 2515344.7220 1065125.5090 688064.7751 3456777.1690 2039799.8780 4232919.3590 2968610.4400 3373009.5070 5288305.7540 3129522.4060 5378127.2520
N2-Fructopyranosylarginine 735957.7949 3968298.0020 1799489.7690 359886.6510 3257614.7330 2597385.0940 1175874.6960 2542557.3870 2631987.0470 602998.0694 539778.9629 1557388.2120 968144.8032 1661402.5640 1767174.5840 2601934.9680 1027010.5160 886745.9126 269243.7399 626300.8046 840183.2769 687454.6331 565529.5840 293510.0088
N2_N2-Dimethylguanosine;1_7-Dimethylguanosine 782197.8820 595012.7776 1107406.0670 673698.2142 701598.7011 618389.4938 729882.6840 716095.0216 871063.3576 1121696.8230 942996.0662 721096.7435 1132792.9950 837388.1300 1456970.5740 1142028.6510 1097739.4570 975068.5157 839205.4394 703565.9677 545035.6283 736631.2100 997212.0355 797901.5798
N-3_7-Dimethyl-2_6-octadienylcyclopropylcarboxamide;N-Isobutyl-2_4_8-decatrienamide;Sarmentine 1708715.0230 1156843.9650 2765660.0380 2850958.2970 2214301.8220 2327138.6840 2080032.5070 2117035.7380 1872714.6550 2396086.5260 2945821.0160 1204016.1890 1519760.5310 1924208.0760 1361058.9070 2033343.0390 1420045.1550 1416605.3750 780632.4144 1440737.9890 1040985.4740 1233573.9040 1121538.0090 1876581.4730
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide 820659.2265 443163.3528 814455.9614 895269.1232 789516.4022 986339.6525 786763.2422 567643.7501 526214.1294 660325.1681 867925.0480 781807.3669 807892.5512 826617.8534 926848.0551 744978.7663 653116.4534 624327.8333 410562.0816 505220.7102 306820.2386 422959.2279 481916.1019 546328.2122
N6-Acetyl-L-lysine 1079801.0000 640939.7000 956147.1000 2271622.0000 798930.3000 911505.7000 748671.6000 672994.1000 738504.0000 829159.9000 987846.1000 769119.4000 1482410.0000 3126816.0000 2372143.0000 744807.9000 1079808.0000 3880760.0000 608512.1000 465452.1000 518015.2000 585590.8000 643825.3000 885867.1000
N6-Methyladenosine;2^-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3^-O-Methyladenosine 22391.8448 863917.9266 19793.5182 64336.5762 597668.0886 977909.7346 16070.1833 626460.7856 437970.1333 28037.8422 24432.4719 198852.6456 231023.9809 544012.7996 592961.4141 462944.1340 40778.5821 387160.7395 249289.3648 151437.2827 154956.0114 231145.6534 243636.1147 14664.4600
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine 1583564.8670 997271.5335 1176208.5060 1158140.5080 1092592.4370 1064713.3150 1195408.1610 1392584.4330 1408768.2990 1373394.0750 694575.8157 976386.3272 1209128.5610 1220718.1280 553147.4398 736677.2213 1155525.5310 1040031.6220 905274.5846 528120.0151 1099020.1690 1158638.0990 532924.0917 874540.5068
N6_N6_N6-Trimethyl-L-lysine 2289937.0000 1804923.0000 3053862.0000 3439945.0000 2793497.0000 1618475.0000 2348269.0000 3277881.0000 2374383.0000 9635639.0000 14643800.0000 2467345.0000 2471243.0000 1759572.0000 1778108.0000 1400648.0000 2302602.0000 3217784.0000 2175997.0000 2052958.0000 2080487.0000 2286076.0000 1346825.0000 2738776.0000
N-Acetylarylamine;2^-Aminoacetophenone;2-Aminoacetophenone;2_3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3_4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-Phenylacetamide 2440618.3830 2372851.2660 2371970.7870 2712578.2730 2398257.1250 2717313.4730 2294288.7510 2127126.2720 1861907.7610 2026161.5470 1913254.4210 1902023.0720 2228034.4780 2321549.6530 2198360.5270 2512812.8060 1987632.6180 2114424.8520 1696188.5580 1881256.8890 1684141.4220 1738834.5900 1761560.8280 1945874.3800
N-Acetylarylamine;5-(2-Furanyl)-3_4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2^-Aminoacetophenone;2-Aminoacetophenone;2_3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-Phenylacetamide 420816.3548 316411.6964 537580.8709 477658.6937 450092.3044 371425.7554 949762.6888 1009476.7090 583027.3155 1008191.1770 592132.2469 1089218.3470 535556.1295 709199.0139 680851.2569 680467.9801 839765.9200 522504.7394 443991.6004 538658.8063 374287.8510 503891.0593 805136.3311 516833.6903
N-Acetylasparagine 243525.1000 136676.4000 628366.1000 518873.8000 189834.3000 169128.7000 501892.8000 275065.8000 182182.1000 398234.4000 354856.6000 378128.7000 361534.5000 393856.1000 336711.5000 235835.1000 450238.8000 558697.1000 163108.3000 196649.7000 162188.5000 212529.3000 196754.9000 303503.8000
N-Acetylaspartylglutamic acid 13314.8800 10396.2500 16180.8700 31233.5200 15923.6200 14829.2900 20304.3400 11968.1100 13242.9500 31025.2900 37331.9600 17369.9100 16453.3800 10799.7800 15029.8700 10220.6500 12646.7500 16359.1800 16983.8700 8005.5190 10675.1600 9197.3350 9741.8170 12554.8700
N-Acetyl-D-glucosamine 14903.6600 10845.6400 16689.7700 20434.9100 12822.1000 11670.4400 19368.3800 22103.2200 14145.8000 26204.2500 31581.5100 16454.9000 13281.5300 17229.6100 14400.5500 10614.9900 26855.9900 24759.3200 16525.6100 9356.6070 12427.2400 13845.5900 11220.8500 14133.0100
N-Acetyl-glucosamine 1-phosphate 68164.2900 44625.0700 99062.1300 159236.9000 50467.0800 25518.9900 76603.7300 60613.4500 57408.6600 132330.6000 111519.2000 55105.0000 153385.8000 100093.7000 106033.9000 48868.7000 210798.3000 176177.6000 44239.6400 43889.1600 42746.9400 59060.8000 36558.0500 74144.5200
N-Acetylglutamic acid 322126.9000 202628.5000 465130.4000 678246.9000 169249.0000 127065.8000 400657.7000 232242.1000 133543.3000 192197.4000 190918.4000 190751.5000 806186.8000 805517.8000 349101.7000 146268.4000 811278.9000 760949.1000 127106.5000 88662.2000 96075.2300 133549.1000 151502.3000 244342.0000
N-Acetylglutamine 164672.9000 76775.0000 218935.9000 332631.1000 78472.4900 57073.2100 119367.0000 128082.5000 122503.7000 123828.3000 205973.8000 186991.9000 137528.1000 509131.5000 645325.9000 171916.9000 362767.9000 776686.7000 140809.0000 110557.8000 92660.6900 132153.8000 179943.3000 160187.8000
N-Acetylhistidine 320621.1121 262532.3163 565156.5206 854891.6775 327834.2583 242921.9871 741355.8719 768867.8484 487703.1390 546436.8367 726682.4380 589647.9881 373090.8654 1184846.4880 776141.6362 373662.2894 942950.0807 1154345.6770 340158.3821 298613.2394 378279.7854 433274.7863 427680.3115 542857.7246
N-Acetyl-L-alanine 786439.2000 674895.1000 950324.9000 717429.8000 814136.0000 756299.5000 889364.2000 950803.1000 867690.3000 987750.2000 959894.3000 834576.3000 704577.7000 631100.1000 495586.1000 460260.3000 712914.2000 717655.0000 712801.1000 452288.3000 583428.0000 764313.2000 522029.9000 762359.4000
N-Acetyl-L-aspartic acid 7696845.0000 4845971.0000 6719055.0000 4874892.0000 6324777.0000 4835947.0000 8478232.0000 5256485.0000 4627988.0000 8676550.0000 9695465.0000 6879193.0000 5432854.0000 3682812.0000 7832617.0000 3051297.0000 3944862.0000 3369411.0000 4825503.0000 2346414.0000 4464802.0000 3705677.0000 2671543.0000 4478693.0000
N-Acetyl-L-methionine 365823.0000 238080.4000 472249.0000 348145.6000 396922.6000 346362.4000 691224.1000 762282.4000 437299.5000 914855.6000 606951.4000 576012.5000 326338.5000 275288.4000 283170.3000 366638.3000 235742.7000 297528.6000 167406.5000 195253.9000 238422.9000 298836.8000 270154.7000 281159.2000
N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylate 44974.9277 41483.4353 65974.0193 56087.6859 62079.7645 37633.7581 198213.8593 214504.4967 93850.3913 231168.2794 86293.8740 599595.5625 41998.5911 124828.2485 44380.7589 64611.5488 97255.2292 61605.2987 50307.6270 55634.8480 65871.4461 98585.3824 109797.5089 84728.2400
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid 5339700.6990 1557064.5160 11519026.9600 9604723.1970 1392308.1300 159314.2920 3450924.6260 503280.9863 566352.3086 963501.2003 694784.0533 2248153.5370 22438304.7000 4901170.4410 4484427.1430 544677.3400 30887158.2500 11468941.3800 753067.0557 181070.8139 514002.4943 747088.1923 544829.2823 1411578.4330
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.2 122990.5727 71248.0021 245232.8274 250508.8143 97800.8895 42913.6494 249223.8590 160265.4324 136459.0402 560837.3819 580032.8975 147129.5761 277709.0290 203188.1827 156781.0807 89381.6523 387226.1448 296106.6054 72240.1771 81601.2693 81865.3034 142167.3798 96206.2163 166917.6021
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.3 56227.6583 23657.3926 1156651.8900 1583947.2560 13422.6390 3952.6160 46591.6914 4146.1302 3721.7330 3934.6951 1407.6264 60786.2376 39763.3999 417254.6186 908146.1522 368668.3054 1059407.0760 1027180.7790 21934.2216 1464.6946 10198.7525 15045.9603 93678.4478 35473.9811
N-Acetylornithine 120529.2000 96024.3800 65158.8300 66327.2300 34007.5200 30760.5600 62863.8500 128687.6000 41271.9100 56691.8400 45864.1700 84717.4500 174576.5000 46230.3600 24782.1400 27244.6600 90578.0900 56064.3300 26764.4800 24550.5200 17854.4600 21497.0300 23419.3500 25610.2900
N-Acetylputrescine 155998.4000 134436.9000 608049.3000 289550.6000 114691.1000 718908.3000 169227.4000 71366.3100 69936.7000 103307.5000 295518.3000 180194.0000 100019.9000 188570.9000 167897.3000 60722.8400 163145.5000 188097.8000 137845.5000 53087.1100 67385.8800 62490.4900 66391.0600 120015.3000
N-Acetyltaurine;Homocysteinesulfinic acid 2144331.8210 2017507.7050 2851320.6430 2083051.0810 1708992.5190 2557216.4920 1754540.7010 1628706.9840 2305257.9170 1411068.4760 1667739.9180 2596565.7170 2875056.0140 1895437.0240 1720046.3700 1169988.2550 1794029.2210 3362779.0980 1872146.7600 1408548.2620 1726807.4810 1996951.6820 1407166.4200 1538464.4920
N-Acetyltaurine;Homocysteinesulfinic acid.2 128818.7180 102586.2638 448861.4114 681382.9186 122175.7389 142938.7608 150604.6093 84338.8332 150474.7233 173673.6047 178094.0189 167530.7680 653548.7818 459891.4168 392903.1744 81035.2804 309130.2889 747959.9173 125123.4847 50156.5538 124489.6158 94456.0400 41014.8820 210087.1481
N-Acetyltaurine;Homocysteinesulfinic acid.3 738718.2624 942782.9578 1390131.1080 613965.4976 800173.6684 589563.6856 507873.3475 507050.6793 528863.4424 34108.2293 3562.1333 564200.7499 952498.2657 1193255.3610 1216394.8410 678505.1582 1217525.8650 1546112.3430 445980.2054 225411.4979 289331.2461 395425.2905 284293.2701 281565.0723
N-acetyltryptophan 274494.3000 272412.5000 419788.4000 376332.2000 423567.9000 372846.0000 417425.2000 400812.8000 234003.3000 557798.1000 339058.8000 482473.2000 236083.8000 243959.3000 128911.1000 145198.4000 258952.2000 239561.4000 200572.2000 141603.9000 210748.1000 329616.5000 184984.3000 308820.2000
NAD 602776.6000 117094.2000 1055253.0000 4247200.0000 202971.4000 212813.3000 41300.8500 103079.9000 115505.6000 260571.1000 995118.7000 642932.6000 807229.3000 2214427.0000 1458374.0000 157982.3000 47633.4300 93916.9600 109707.1000 233619.2000
NADP 21859.4000 13610.7300 116119.3000 5905.7990 3144.5060 7969.2240 7625.1830 16119.3800 6877.4700 15536.7800 31424.2500 17093.9400 9119.7220 6721.3740 2272.6390 7456.3880
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate 74256.8362 41362.9187 481549.0611 97469.4815 27304.9515 22922.1907 288086.3032 4233.7078 19178.3859 17098.0330 6738.3381 64758.1483 242762.5732 116320.3195 143963.8030 277205.7852 84849.3306 144748.5549 7164.1636 18961.6042 6502.6862 7371.0538 14139.3058 10923.5691
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoate 642163.5360 381860.6906 1305638.4000 979531.7958 335762.6065 192161.7873 892088.1182 185480.5607 195607.9440 320940.5576 434649.9082 283120.3317 637338.7508 1685641.0260 771627.6985 154925.9033 464858.7989 1820548.0030 239433.0706 79916.4156 188665.1759 192164.1337 119910.7190 342585.0427
N-Desmethyl tapentadol 2188747.1740 1580510.2420 2729196.2070 2392834.5400 2357170.8270 2691689.9800 2178022.1820 2142309.2910 1854836.4040 2226249.1320 2541960.5900 1410901.1030 2125380.0720 2185209.9230 1712236.4250 2410552.4920 1752844.8600 1730956.6730 1018653.5540 1670451.3790 1067314.5160 1383932.2030 1416572.3910 2039282.1880
Ne_Ne dimethyllysine 865447.7733 970966.5626 974221.0820 312484.4718 922096.8336 986147.1510 640622.0370 1248200.2220 882333.2849 772095.4256 524116.0716 783790.8830 552173.3580 716730.5006 508546.7188 620169.8880 656787.4012 618503.6949 828571.0505 626631.1541 769716.8427 757122.9197 654687.3564 623089.7445
Neuraminic acid;N-(1-Deoxy-1-fructosyl)serine 220843.6660 360125.3139 822257.3905 1378617.3270 513019.7873 186037.0864 351881.6311 281965.2250 288469.6954 173913.3976 166148.5430 311988.8053 502278.9545 548650.8182 641518.8562 313427.8756 1194481.9900 717517.6645 153389.4235 98513.2324 143553.4676 180921.7396 141463.8430 178274.8439
N-Formyl-L-methionine 170809.8000 195648.6000 147858.7000 117543.0000 141269.4000 139560.6000 157425.3000 182602.3000 198534.6000 288065.9000 206990.4000 165990.0000 87068.9500 88105.0600 139335.4000 161951.8000 118954.8000 103528.9000 138090.6000 78137.1700 158597.5000 198838.1000 109836.7000 141150.4000
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutamyl-Gamma-glutamate;Glutaminylglutamic acid;Norophthalmic acid 1785532.2990 1860034.5430 2580553.1200 2155650.3420 1980487.1340 2218742.6800 2271223.2270 2294628.0710 2315188.2300 1395509.5680 655609.0329 2827793.4610 2409716.6140 2227456.9170 2107965.8490 2797893.3580 2858988.0300 1915795.7810 3272943.6580 2105712.0350 1816256.9440 2789283.1580 2850870.8280 2560228.2580
N-Gluconyl ethanolamine 310572.6022 138177.7173 606730.6097 867429.5754 103029.3425 63893.4941 186815.3093 78262.3362 54354.0728 375575.5166 270490.6204 71935.7731 149071.0711 280808.9501 214988.1800 84214.3387 258667.1767 412178.8334 78178.2201 47561.8984 46534.4264 71923.5995 39537.9666 379442.1444
N-Glycolylneuraminic acid;NeuNGc 384174.1263 132122.0287 656645.6681 718925.1709 276891.9347 102588.7892 296816.2612 163663.9477 292372.8710 967130.8789 1011808.6520 297631.5498 821333.8561 429461.0278 466852.6249 240284.0543 1077503.7270 843239.4221 225710.6548 148352.5894 204608.1014 233813.9179 195130.6354 406645.0417
Niacinamide 5057304.0000 3723728.0000 30116240.0000 9505132.0000 2712887.0000 970043.8000 6289601.0000 1625630.0000 1357817.0000 3737608.0000 2851508.0000 3995473.0000 10149490.0000 15671120.0000 14500940.0000 778718.8000 16312170.0000 23385460.0000 2637935.0000 1190562.0000 1179633.0000 2075264.0000 2076750.0000 3441679.0000
Nicotinamide riboside 110157.1000 46020.1200 102772.9000 116837.4000 45937.2300 28456.4400 46465.7100 42570.5400 31392.8700 50503.9500 64079.9100 40746.0800 94498.2700 68756.7200 74517.5100 22248.9100 99015.0500 118113.3000 24263.6300 17295.9400 26285.5000 29266.5700 27358.6100 34951.0900
N-lactoyl-Methionine 231999.4808 357476.4023 1419930.3080 2030049.3960 251832.2640 118882.3426 495163.6579 347830.1716 423314.5580 639070.0424 473748.6560 429278.8784 2010930.7480 989775.0944 1177710.8480 69425.1658 2471852.6370 2144553.3670 489238.0241 143128.0368 382566.1422 527719.0545 297851.6698 596234.6673
N-Methyl-1-deoxynojirimycin 368636.6016 340442.5362 343888.1625 423156.0963 431514.1515 384343.5697 444842.4536 397556.1625 448501.3147 631310.0204 523339.2625 906391.3762 962623.9673 475484.6653 456943.2632 207222.1086 959140.6559 510287.6176 417470.4422 195194.5507 376802.5414 404299.5835 218593.6560 338127.0423
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate_ gamma-methyl ester;(±)-2_2^-Iminobispropanoic acid;hydroxybutyrylglycine 213875.2500 89641.0039 608049.9873 341512.6334 53322.6423 64088.0469 163662.6479 77857.6120 87647.0031 30266.1240 69664.2389 51833.7215 529110.2781 388457.4108 321615.1895 84946.5846 521660.9188 605120.6423 16300.4752 52966.2582 12842.1841 14641.7460 16992.9238 36253.6750
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;Glutamate_ gamma-methyl ester;(±)-2_2^-Iminobispropanoic acid 266610.8265 224435.5539 375467.6907 286816.0166 355079.1427 298575.8707 479833.9468 426622.6879 327879.1048 717061.9022 532564.4920 303168.9026 312527.0265 295423.4792 302130.1163 246998.5951 328185.0290 303469.8289 272505.3999 221382.3837 239875.1427 290267.4547 237705.0521 444296.3801
N-Methylnicotinamide;Pralidoxime;2-Methylnicotinamide;4-Acetyl-2-methylpyrimidine;2-Aminobenzamide;2-Acetyl-3-methylpyrazine;1_2-Diacylglycerol-Bile-PC-pool;1_2-Diacylglycerol-LD-PC-pool 1925282.8450 2248579.2150 2141541.8670 1521145.7140 1876209.5820 1058888.9230 3705506.6990 3876630.2190 2631850.6320 3576386.5700 3446306.1930 1015530.8610 1983784.8280 2822250.4040 1709810.0600 194613.3375 3308513.0230 2559216.5300 1587095.0850 1196947.9860 2296034.6990 3323471.7950 857906.3975 4998012.5150
N_N^-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolidine 1682216.7850 564008.9717 839752.0369 1070686.2610 356887.9456 308630.1422 671167.6310 416882.2848 314337.0434 425807.6958 607639.2878 511649.3217 879051.5280 784585.9336 691677.9101 298596.1243 656858.6521 854364.9893 266816.3439 229789.3778 259766.8405 280007.1751 210087.3391 407365.5901
N_N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanal 194435.6202 152745.2108 527959.2595 336238.2213 312849.6787 334640.9369 357293.6215 367636.2558 314298.6291 548761.1550 192247.4292 197130.9446 431459.2326 437216.4152 489659.8133 313121.3758 542375.9372 551966.1345 223447.0381 213500.6706 200474.2372 240464.2066 263557.9221 197516.4752
N_O-Didesmethyltramadol;N_N-Didesmethyltramadol 4584062.5680 3996396.5420 5030409.3610 4738416.7940 4946482.3250 5511759.9110 3868285.0970 4204612.2920 3743362.5900 3998256.0090 4915994.9160 3625490.4080 4556834.1030 4494313.6560 4179311.3740 5266765.5120 3825511.3280 3803975.9410 2968337.3650 4314615.8480 2403956.5690 3264411.7360 3576429.0210 4171461.1650
norcisapride 319965.8525 238062.3893 387896.4240 306472.4832 420867.8869 385122.4875 347536.8666 408683.4028 293080.2604 407475.2890 233531.2929 354503.0079 677499.2618 524987.7610 589673.0007 554594.5954 550479.5918 500675.9119 179058.5089 211609.8366 160692.6337 192983.5582 205523.9040 175840.9628
N-Succinyl-L_L-2_6-diaminopimelate 630064.9351 599532.7757 4808533.8410 5220582.9060 1602010.8720 189326.9540 1003161.7410 654136.0587 663396.7679 895818.4749 400203.0226 1231086.8540 3983614.7240 4074647.6990 4293993.0330 517033.7997 11334743.0600 7048405.6400 633354.5770 237639.1111 332782.2462 737470.5330 785206.4666 813274.6076
N-Succinyl-L_L-2_6-diaminopimelate.2 16872.0168 267573.6230 66887.3574 83064.1028 161595.7064 70401.0425 25901.4279 84275.8733 89395.6521 16505.8988 10055.5670 111191.3968 128753.1606 85243.4867 340525.6094 62928.7504 212605.5987 123386.2871 87446.8685 49516.9351 56915.1553 19345.2102 76122.8401 92010.4392
N-Undecanoylglycine 2072068.0210 2534381.3520 3013941.8260 2475482.4670 1519084.5500 4138308.6230 4826245.8550 6138787.4000 3254913.2720 2078231.5340 3496346.8320 5437997.8650 8880649.0440 2448372.8390 2040181.1150 2281404.6060 2736004.9850 2194815.6190 1982588.0110 1465860.1300 2296349.9530 3222075.4990 3268114.2260 5272465.6610
N-Undecylbenzenesulfonic acid 1666.6875 12064.4463 94455.2320 122262.2364 16879.8755 57313.0274 75620.8776 177378.8262 357240.9482 46835.7200 117467.8200 43306.1355 12909.7267 7338.0724 1178461.7450 16835.7645 66023.1447 44912.3539 26444.1099 27287.9747 16762.8291 66809.4733 104974.2697 67538.8111
Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic acid;Octadec-9-enoic Acid;(Z)-13-Octadecenoic acid;7Z-octadecenoic acid;(E)-13-Octadecenoic acid;Ethyl 9-hexadecenoate;Petroselinic acid 57300.2926 29337.2249 81522.7645 60106.2329 46558.6898 296715.2197 165214.3923 936763.8449 4016171.2310 50406.4623 173000.5124 259231.8749 27699.4742 19890.5395 209554.4825 44289.6929 300559.9678 106506.5458 99518.7422 51864.7917 22368.0858 306963.7337 370543.7551 40954.8356
O-methoxycatechol-O-sulphate 13479.9140 3230.9366 118766.5683 164725.6096 25057.5572 2207.2545 13100.9292 7642.7060 139456.7918 780273.8041 19082.6540 71515.1890 160807.0089 20458.5137 4398.3643 6507.5479 39765.8441 364702.4822 15550.9935 2749.5930 42516.6349 12243.5508 2032.2209 35084.6500
O-Phosphoethanolamine 907985.6000 124616.3000 425387.8000 1209714.0000 144155.7000 44978.4700 286182.0000 219491.4000 182036.5000 623600.4000 567502.9000 243312.7000 1051883.0000 208492.5000 422711.7000 144560.9000 823211.6000 652762.4000 135194.3000 91249.7200 146390.4000 197227.7000 116702.7000 231207.2000
Ophthalmic acid 2667843.3480 322898.4285 1985200.3840 364433.0676 265204.4945 30502.7256 538112.2517 201946.8488 40894.5334 486297.1529 112289.3243 331245.0045 3073075.7250 479733.3938 686809.8739 30089.4347 6772380.3410 1124648.6210 112287.3322 20124.3625 127795.8625 181240.8470 89270.9469 120153.5151
Ornithine 6171488.0000 4326309.0000 5139327.0000 4958227.0000 6888476.0000 4987838.0000 7176144.0000 8304381.0000 6170125.0000 11821400.0000 11822230.0000 7905361.0000 8729633.0000 7773901.0000 6466412.0000 5709014.0000 11769500.0000 9796771.0000 13209820.0000 8574357.0000 7611134.0000 10522330.0000 8970955.0000 10163560.0000
Orotic acid 2760213.0000 1378876.0000 1719623.0000 1365284.0000 1963341.0000 2195939.0000 1964528.0000 1599282.0000 3195595.0000 2837377.0000 2923870.0000 3187697.0000 1860926.0000 1951378.0000 2121715.0000 2508278.0000 3637195.0000 1685015.0000 2112505.0000 2761661.0000 1220107.0000 1452813.0000 2435696.0000 1521264.0000
Orotidine 586454.9305 333951.1811 383490.7751 397565.7444 344138.0544 408738.1940 377471.2580 394612.8717 438582.8558 521296.3305 813672.4157 441394.6472 499453.5058 319595.9737 374257.4329 360703.3868 368141.2654 458368.6642 317210.6408 316236.7011 402438.6254 447181.5457 302388.0015 391397.8174
Oxidized glutathione 4384283.0000 451599.2000 4341537.0000 11578880.0000 699750.8000 21842.8200 1215558.0000 358438.1000 374602.8000 1163077.0000 560914.4000 1157228.0000 6804455.0000 1471731.0000 3060931.0000 55681.5600 6919613.0000 2166087.0000 738269.5000 23479.4900 375036.0000 482066.5000 597341.9000 1066781.0000
Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acid 1528374.8100 925928.0039 2697188.5320 1850395.9960 2759150.4280 2329079.4580 1601158.2990 1643967.5860 1939037.5870 1982402.8230 1273740.0740 2020381.1270 1337662.1880 897033.4699 685384.4729 1067733.4860 918653.7033 780812.5489 1033817.9960 620816.7814 803033.9651 963298.7628 628425.3492 890002.1714
Oxoglutaric acid 18973870.0000 21365790.0000 27011500.0000 18245480.0000 26984220.0000 26195820.0000 34270320.0000 27545660.0000 27552510.0000 32725440.0000 27229180.0000 39824290.0000 11794210.0000 16546610.0000 16894970.0000 26048620.0000 11407340.0000 13690730.0000 24731350.0000 17690240.0000 18068830.0000 25799200.0000 19857710.0000 24734700.0000
Palmitic acid 657046.1000 628397.6000 768221.2000 536200.0000 615327.2000 1195687.0000 926729.1000 2335581.0000 6059092.0000 528777.8000 552522.6000 1012786.0000 547567.8000 514900.2000 1202171.0000 667385.8000 1248452.0000 782987.8000 791000.8000 621379.5000 558237.8000 1365998.0000 1457650.0000 553993.8000
Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;(E)-3-Hexadecenoic acid;Citronellyl hexanoate;(Z)-13-Hexadecenoic acid;(E)-11-Hexadecenoic acid;(Z)-5-Hexadecenoic acid;(Z)-14-Methyl-6-pentadecenoic acid;(E)-6-Hexadecenoic acid;Trans-Hexa-dec-2-enoic acid;15-Hexadecanolide;5-Dodecyldihydro-2(3H)-furanone 83818.4400 201112.0218 482156.2974 56196.9131 548239.3485 817559.4530 406160.6357 851689.7994 3548186.8750 36722.6698 103480.5884 829328.5833 151716.5283 355500.6883 1491126.5900 996396.0379 886426.8026 641349.2138 460162.1785 287429.5138 79469.1033 590815.5729 510162.9849 174657.8881
Pantothenic acid 1383994.0000 1168247.0000 1657126.0000 1485132.0000 1113220.0000 786766.4000 2296300.0000 1931858.0000 2017428.0000 2925399.0000 1413528.0000 966739.6000 1679568.0000 1975721.0000 934840.6000 369150.6000 1873791.0000 1831230.0000 1268828.0000 301420.1000 1144728.0000 1525551.0000 438012.8000 1595941.0000
p-Chlorobenzene sulfonyl urea 1426775.5260 1908011.2400 1347455.8650 2157483.0050 1581838.8850 1649979.3150 2105441.2050 1719221.3850 696509.7223 610017.9093 1352420.0630 2289461.8830 1583347.2110 1848757.6360 1621912.7750 2202317.2780 1761089.0190 1618532.2760 1198288.9480 1328162.1330 2306370.8870 1329287.3040 1554140.2400 2037466.3010
p-Chlorobenzene sulfonyl urea.2 782889.2363 1140469.2430 1177593.2610 1519318.5530 1489575.5620 396802.7177 1392317.9000 1044017.0970 1566257.8680 1025809.1440 816246.8137 1038020.3680 1378373.7680 1034324.9050 306402.3348 1013417.9090 970064.0199 1462900.8530 1757200.2750 1198169.6100 1362394.8940 2215749.3200 1424472.6190 1613494.0460
p-Chlorobenzene sulfonyl urea.3 536345.4099 515062.3253 924340.4409 2230294.6660 3034556.9460 628307.2132 276300.9531 286350.2897 301220.4512 938602.7851 223285.7761 141474.0961 837964.7308 2148840.2420 2323818.0040 639830.8448 2051755.4300 2512114.7310 429372.3786 341979.6702 350592.5937 167456.1227 331879.1810 250128.5492
p-Chlorobenzene sulfonyl urea.4 946873.5355 1801792.6670 537230.3970 313509.0935 1637767.7450 1772018.7050 1595516.9430 1326676.3140 1735841.8750 2054978.8560 1067928.4120 1003526.5460 217748.8091 608298.7033 580690.4720 1204044.7970 146817.9468 323422.0800 1623585.8090 1396732.3900 797834.2433 1697184.7300 2311217.4780 2391524.5210
p-Chlorobenzene sulfonyl urea.5 567351.3486 538320.2213 1037947.2370 2440681.8910 645120.3158 423564.4212 566382.5591 627494.9838 512904.6150 312368.5595 3816916.2080 693698.4958 387713.9356 379513.8890 479969.0379 461742.0565 1968013.9700 2485279.9320 211475.5466 412417.1350 369723.8041 475166.4783 407065.7630 423499.6946
p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-Vacciniin 315577.4753 370976.2858 266978.4758 506958.0628 509044.0004 274361.5471 496453.5533 386517.2088 604430.7552 483298.9527 790381.5203 689773.8540 154227.2840 280783.4683 197333.2666 246712.1509 415938.6759 369955.1486 410025.4419 175234.1721 360207.6281 371236.8475 219336.8722 598050.3296
p-Cresol sulfate;Benzyl sulfate 11119115.3200 11936486.8300 8802207.5820 12216099.8500 14327782.0000 8550282.1370 13364735.7700 10660706.6000 12964320.2800 12648690.8900 12822895.9200 10625152.3600 5756185.5980 10734700.7800 5521696.5380 6248044.0040 16564400.3800 10456140.6500 9565305.3310 4754458.1110 10503128.2200 11450974.4700 5652535.8020 12317304.3300
Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3_4_5_6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronate 903928.5417 838597.2768 928211.2716 800268.4734 885281.0789 786521.0796 873884.3322 917864.2919 854500.9876 825554.3944 736603.5135 900489.8658 791082.2961 726111.9393 679595.7016 688648.2006 867649.9775 823204.1367 856624.6742 810447.7207 807605.6776 809327.9208 808296.8563 820230.9189
Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-methylbutanoate;Propyl hexanoate;xi-2-Ethylheptanoic acid;Oenanthic ether;Butyl pentanoate;Isoamyl butyrate;Hexyl propionate;2-Methylpropyl 3-methylbutanoate;3-(Hydroxymethyl)-2-octanone;Methyl caprylate;4-Methyloctanoic acid;Isopropyl hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1_3-dioxolane;3-Methylbutyl 2-methylpropanoate 17216568.5000 18087421.9400 12827102.4200 8024456.7980 11427890.7600 9779247.7270 9687494.8960 10862169.6800 12385260.9800 9700868.3110 10338836.4700 8212254.5570 14740828.7600 13597047.0400 17108978.9100 15544228.6000 10231307.4900 9102797.6460 10378339.1100 11383011.6200 9116197.8270 9126092.1680 11834124.5700 8355249.0480
Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1_8-dien-6-one;2-tert-Butyl-1_4-benzenediol;3-Hydroxy-p-mentha-1_8-dien-7-al;alpha-Teresantalic acid;2_4_7-Decatrienoic acid;5-Hydroxy-p-mentha-6_8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1_2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1_4-Epidioxy-p-mentha-2_8-diene;(1xi_4xi_6xi)-Carvone oxide;Rotundifolone;1_1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1_2:3_4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3_5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-ol 597885.6982 653602.2646 728245.6022 495950.4168 914077.9712 797540.3255 433610.0581 447938.5162 593617.9197 552125.8756 345095.4296 642597.0415 702267.0692 382560.7784 192865.4605 226851.2777 479085.2029 380036.6348 513319.5642 232191.0141 501937.7454 630749.6682 283885.2897 468607.5626
Phenmetrazine;1-(2_3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2_3_6_7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2_3-Dihydro-5_6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2_3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2_3-dihydro-6_7-dimethyl-1H-pyrrolizine;2_3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2_3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2_3_6_7-Tetrahydro-6_7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone 4512235.5930 3704478.2710 4357906.6970 3953220.5820 4798527.2450 5657074.8430 4350274.3220 4204630.6340 3648777.3100 3831792.4620 4497361.8720 3771184.7750 4606478.7290 4048960.6340 3933370.7490 4663030.6310 3288134.4090 3485081.0350 3508311.8530 3784515.5570 2472059.1570 2733370.7420 3160998.3230 3591231.2570
Phenmetrazine;(S)-Valerianine;1-(2_3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2_3_6_7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2_3-dihydro-6_7-dimethyl-1H-pyrrolizine;2_3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2_3-Dihydro-5_6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2_3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2_3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2_3_6_7-Tetrahydro-6_7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone 59535.7457 87860.5993 126656.9438 966805.4936 58058.3339 100896.8220 96537.2244 84524.3574 171933.9904 107340.3201 105438.9496 62508.0224 143298.6179 126282.2086 77275.8925 86912.4761 63137.4182 113466.8887 110952.9342 59388.3557 48150.7599 85675.5949 110464.4662 96428.8051
Phenol sulphate 4105685.4730 3204114.4750 14058014.3500 14906111.1200 15557172.0700 7860747.5270 19125713.9500 15348440.1000 20481147.3300 20487604.2500 12544383.2800 20151024.7400 15058376.0200 8033946.0500 9141710.1110 9256814.6850 14832938.4500 7827143.6790 11155960.5000 5593283.4410 10737670.6900 12313581.0400 7070671.9180 11389900.6400
Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2_3_4_5_6_7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3_4_5_6-tetrahydropyridine;1-Furfurylpyrrolidine;1_2_3_4_5_6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1_2_3_4_5_6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-Hydroxyamphetamine 1985094.5130 1725538.4030 1915833.0710 2067803.3360 2101625.9920 2489139.3900 1751729.3960 1555125.7290 1536218.8640 1549730.3800 1751901.9810 1564936.4780 1902622.6930 1802429.8540 1699771.1020 2182824.0630 1547050.7280 1543010.4600 1200464.0790 1460010.1350 968544.2135 1247813.6530 1261124.3050 1485840.0910
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate 25670049.8000 22200120.6000 28304345.9000 23192190.1900 19339951.3400 17944422.8800 23631563.1100 20470768.1200 19412009.1000 21353236.1100 22245017.5000 16103053.4000 26290728.9400 25878158.9400 19372936.1500 17540512.6600 30895476.9700 25666227.0100 17152819.3800 17783471.4000 17658135.5600 18305741.7900 17467577.2900 17824759.9000
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2 6642762.8450 3280638.3190 6779561.0190 13417069.4900 3832926.5540 1982325.9940 6962882.7970 4400222.5310 3852508.7170 9514259.8250 12793124.3900 4349089.2130 7977171.5990 5296431.9050 5824861.6240 3136931.2840 11845362.7900 8602026.7010 4193075.7000 3854150.1770 4377098.6750 5843509.6930 4710495.5110 7139000.3190
Phosphocreatine 185587.4000 125776.1000 102260.2000 176339.6000 272985.3000 109156.6000 430079.0000 249320.7000 361543.4000 104578.8000 51190.1800 328845.1000 225139.5000 100180.7000 220925.6000 215010.3000 92804.5400 112682.2000 199806.5000 177779.2000 252354.9000 295454.9000 291371.8000 287129.6000
Phosphoenolpyruvic acid 161366.7000 154243.2000 212608.3000 517813.6000 545018.8000 76431.0300 452622.2000 685900.1000 701720.8000 6336531.0000 6079537.0000 501852.9000 431434.1000 90377.9500 332207.9000 619036.6000 428305.8000 714116.8000 469183.2000 876884.6000 525954.5000 781837.1000 198835.8000 1473911.0000
Phosphorylcholine 1651976.0000 274493.8000 4485915.0000 11917190.0000 1210568.0000 730141.2000 1008006.0000 199804.3000 201472.8000 853842.4000 781190.9000 1517155.0000 5605732.0000 23542340.0000 29020010.0000 198171.3000 34667940.0000 32477330.0000 661142.6000 76121.7800 146827.1000 555485.6000 1374173.0000 2677883.0000
Pimelylcarnitine 21753.6445 14579.9018 63095.9373 221937.6011 19529.1081 16708.9476 66738.5326 47293.2410 39316.9033 49745.9855 63355.6266 77369.9952 180606.5995 243001.7606 509060.2199 19108.4590 113748.1786 604713.4190 50651.7727 33797.1146 36778.3821 43136.2516 141808.3209 70749.7716
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate;N4-Acetylaminobutanal 37655472.9500 31358661.4900 53634073.4800 43373789.4500 54188716.7600 52278030.8800 40836358.1700 51006243.0600 45277873.2800 64184228.9900 39404999.2400 34226122.1300 63143068.4000 53311384.3400 49002659.7400 48740131.0100 58252548.8500 55732620.1700 31741014.0900 28527807.2900 29443429.4800 29472951.7400 30087403.2100 32706809.4200
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;N4-Acetylaminobutanal;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid 37362.9775 40323.5826 55481.9878 53244.8967 41724.4590 44886.5014 45021.8586 42005.7907 45118.3671 38086.3826 222778.5175 203216.9797 28527.6332 36280.7800 472531.7160 666884.9501 22378.6752 45956.4226 40952.4453 232763.1681 41074.8164 51217.7548 345116.2800 31064.6827
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;3-Acetamidobutanal 67565.9589 57844.1129 74803.5884 61676.5812 57640.7361 59271.7958 55559.3374 16567.4359 44043.5711 58930.9834 61428.9833 52861.3992 69896.2708 533188.8507 562982.1285 74855.6137 705493.6353 377684.0569 44077.1716 44554.9777 36822.0102 40972.2666 54655.9511 41474.6527
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-Acetamidobutanal 2343924.2910 1891544.5030 2116693.1840 1511035.8500 1563852.4150 1445539.3980 1351624.2600 1392218.6430 1406846.6200 1724484.7030 2201344.9310 1725580.6810 1706715.1090 1452840.6180 2256457.1880 2015466.0360 1630993.8490 1478715.2110 1117581.2430 1115062.5170 879080.9798 944575.9656 1180181.7060 1109704.7950
Piperidine 5180227.9820 4090687.5240 5013488.7230 5582916.4280 4955454.9130 5144284.7540 4594887.3800 4475755.0560 4143435.0770 4385662.8060 4331577.3140 4376364.5540 4649428.7400 4899900.9840 4517631.3700 4987796.6360 4355479.1810 4370802.0580 3517134.7200 4454063.6880 3746915.2150 3752653.2650 3715281.6060 4508902.6750
Piperidine.3 498788.7977 418917.7479 695395.3733 684269.1554 664831.7772 601416.3510 951395.8608 925983.4181 610567.5173 1107479.7630 692269.4081 618181.9420 900441.7023 819192.3016 1034022.9030 897685.6822 1010518.3450 802850.6511 450595.0274 670359.3379 389431.9886 388302.0778 723343.8930 445047.1852
Piperidine.4 744658.4782 569440.5743 952042.5757 883081.5107 820002.0051 642725.2867 1223247.0500 1250145.9990 701114.7119 1531159.2340 1127435.8500 901539.8146 1097715.9110 1108977.6810 1279386.1110 1437554.1370 1463959.5190 1232029.6460 619789.5363 780662.6230 678954.8024 596660.0888 1102110.6870 692629.9030
Polyethylene_ oxidized 1104756.8340 1010229.0200 487421.3768 410450.5670 444085.4537 401276.0997 462825.1934 427996.5099 494241.0733 471624.9747 479672.7296 385899.3184 367640.9992 717626.3629 713302.0617 692370.8514 454919.3345 349604.6466 331324.0877 329799.8633 366115.2739 319683.9943 219993.5656 357454.1372
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta_6beta-Dihydroxynortropane 23654544.5900 13593051.3000 159117.5390 116221.1476 122105.4385 66739.8291 298318.7300 155824.5345 170417.7855 296450.6848 297065.0332 453083.6970 15918989.2500 2972186.9370 245531.4541 558306.7575 1667067.9990 83837.5491 83797.4726 62000.0454 185680.4866 221616.4251 105367.4718 421557.4843
Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hydroxyproline;Tetraacetylethylenediamine;Hydroxyprolyl-Proline 1289366.9040 1229054.0060 1290127.5170 749779.8515 857709.1654 982289.2900 719839.4270 644464.4534 1124609.3480 735664.1662 1298697.7360 732141.7402 577470.8623 492153.6731 358002.8338 453960.6704 713860.4807 592189.7771 679799.3598 603024.3440 877466.7746 1193123.6700 830258.5170 877214.4091
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate 134985.5565 79692.5204 210269.2304 152284.4481 103831.0009 58261.0150 186149.3168 69253.5112 65234.1546 274938.7282 204952.8895 106180.2327 161182.8877 295004.2850 169569.4378 41039.7964 554855.1037 255822.4882 41857.8670 20838.1671 40585.3152 68664.1377 35413.8074 119234.2737
Propionylcarnitine 2600008.0000 1980039.0000 6623931.0000 4792992.0000 3848825.0000 2200095.0000 3892523.0000 2850669.0000 3522687.0000 6051385.0000 4764132.0000 5855286.0000 8739124.0000 9802675.0000 7491093.0000 2201182.0000 21058380.0000 9468862.0000 2008110.0000 1266018.0000 1935645.0000 2269154.0000 1705491.0000 3743853.0000
Protocatechuic acid;Gentisic acid;3_5-Dihydroxybenzoic acid;2-Pyrocatechuic acid;2_4-Dihydroxybenzoic acid;2_6-Dihydroxybenzoic acid;Patulin;2_4_6-trihydroxybenzaldehyde 507125.5613 206244.2624 15801.6776 38242.7260 33718.8275 11183.4385 39300.1448 39548.9811 63155.9906 116969.1950 21196.5196 54330.3998 662608.4537 89790.6820 69278.6611 136687.8470 70537.4063 72943.1440 8327.9065 18765.9590 22232.2441 8513.9956 21504.7738 26824.8152
Pseudouridine 790727.2286 748490.6827 994563.2605 740444.2109 736745.9223 838343.6764 783519.9606 925846.1207 948074.9233 896985.1625 1090670.0690 945600.7539 515984.6284 659427.1626 523844.9179 582253.6107 793534.6304 520255.8913 825042.1001 581623.3972 762648.9443 881207.7556 700437.8571 812844.3593
Pummeline;Koeniginequinone B;4-hydroxy ketorolac 522806.0637 400996.8983 717930.8219 570747.6212 505994.0398 385688.4332 434905.5005 389472.9831 451571.8858 21635.4748 218639.3091 716594.1077 725018.3965 635023.3346 649098.8731 364844.7360 846234.2213 780076.9611 464306.3436 356978.3663 403338.5113 502349.1125 484773.5254 448458.4833
Pyrocatechol sulfate;Hydroquinone sulfate 3605986.1210 582147.8698 112087.3885 119116.0226 112457.3225 48907.0219 139562.1354 148921.4973 499738.6918 1408852.0040 147133.3459 262961.8818 157942.0946 128920.1564 83492.3664 217452.7759 153650.7435 178660.0151 30245.8207 40246.7308 133644.7276 75611.7220 57887.0373 120436.5156
Pyroglutamic acid 5701689.0000 4180185.0000 5870383.0000 5748400.0000 5979660.0000 4445970.0000 9216716.0000 10739350.0000 7255454.0000 26702790.0000 26825500.0000 9502357.0000 5888305.0000 4799413.0000 4901288.0000 5740194.0000 8222220.0000 7320795.0000 6935187.0000 8414335.0000 6836718.0000 6386917.0000 4473006.0000 7462746.0000
Pyrophosphate 215364.7027 33524.4871 320554.3106 1124132.3590 51616.3676 11727.1660 310932.3074 84719.1240 108117.6095 867973.4102 1091062.1180 213243.7730 545704.6455 132588.7372 285024.9617 56654.9802 748659.7490 399789.9464 98433.3590 78750.2061 103915.1931 187445.6970 119923.4956 384264.5638
Pyrrolidine 470077.4744 360109.8706 658402.1902 602953.9804 643465.9651 537206.4436 1047912.2590 989448.1324 571750.2318 963786.4117 688988.2520 622006.5245 893777.1728 798118.1347 864293.7854 880789.1301 941149.2559 899072.4890 440467.7379 565259.4351 377621.3420 403996.3792 798649.5587 451516.3495
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;N-Acryloylglycine;dimethadione;(3R_5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid 184617062.9000 172451473.6000 231205374.9000 205216299.7000 183071435.4000 152773651.4000 204022774.6000 214883764.8000 218898031.5000 328895008.7000 229502105.0000 245671295.8000 227189293.8000 205963394.6000 270887886.5000 155532501.2000 267045489.7000 272435676.7000 178163892.5000 156281093.4000 163196615.2000 165499477.3000 164040476.5000 158116343.1000
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R_5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid 54713169.8200 43704347.3800 39291602.9900 70742880.3200 25278541.0300 18595703.9000 26592876.9700 12288161.2800 4304770.8590 48547660.8900 32431366.7900 34088725.0400 44766194.4800 76631071.2400 18327420.2000 18504161.7800 68862733.5700 27994738.7900 29067146.0300 19829210.5900 45994039.5100 55704273.9700 32624922.4800 47082965.5900
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R_5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione 47578.0131 24958.8938 16284.1316 40976.9734 23743.6528 20726.3306 3594.8190 24816.5066 23665.6376 29407.3151 92843.1524 38315.5617 68162.0980 40406.2792 41618.9043 23612.8727 25032.3639 55036.4799 31483.2246 3977.0036 30798.9127 23672.9479 19429.1736 24327.4899
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R_5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione 3385918.3840 1127516.5730 3741043.7160 2072005.8200 1043194.8570 803222.6631 1444947.6620 1044377.4690 1128160.5020 2308266.7630 2233271.3030 1570704.0780 4982636.6540 1365308.6280 2384927.5980 953919.6619 5868247.0340 3210338.7300 824429.7874 853728.0352 704084.5390 897309.2139 975821.0382 1189118.1500
Pyruvic acid 3887049.0000 3364882.0000 4586184.0000 3525334.0000 5140678.0000 3210851.0000 7054632.0000 5809561.0000 5169381.0000 7655020.0000 6337083.0000 5036160.0000 4665604.0000 3955079.0000 3847267.0000 4880434.0000 3965922.0000 4101477.0000 5353183.0000 4137032.0000 3479022.0000 5286799.0000 4798038.0000 4980692.0000
(R)-2-Nitro-p-mentha-1_5-diene;cis-6-Nitro-p-mentha-1(7)_2-diene;2-(5-Methyl-2-furanyl)-3-piperidinol;2_5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3_4-Dimethoxyphenylethylamine 2727703.2300 2598124.1580 3167564.9340 2826079.7990 3510636.3860 3722860.5280 2492325.2530 2439550.2360 2237747.4910 2606982.7360 2870638.2740 2813614.8590 3121529.7920 3449572.8530 2398535.1200 3449814.9050 2179267.8690 3856551.1180 1793634.8330 2565427.2060 1591217.0530 1979616.5810 2294930.9940 2485444.4360
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1_2_3_4-butanetetrol 1029368.3780 809645.7560 1201477.7860 914720.4993 1079559.7820 904070.1090 1538623.0820 1482568.8720 1585933.7870 840199.4482 2137140.3740 1724253.1860 770806.8047 958041.0477 777736.5562 732438.3208 973358.9649 1123487.2140 1301877.2740 837085.5425 1080443.4420 1441242.9410 729036.4633 1390335.8200
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1_2_3_4-butanetetrol.2 120547.2581 57934.3959 398969.0321 220499.0558 128427.9164 63465.3038 111045.9477 82689.7297 87488.7702 129031.7519 92061.7702 175749.1069 326728.6408 504411.0430 325300.3249 92883.9259 467308.3826 722198.2832 103990.1688 60621.6017 78571.9502 95169.1200 101346.4252 157428.9514
Riboflavin 20011.4700 10806.9200 32463.4600 27530.3800 16173.5600 11182.8400 21348.5700 18188.3700 16690.9400 41657.0500 34098.9100 17856.1000 17660.0600 16810.3500 16400.8500 11870.2600 20388.3900 27238.2000 8974.1570 8613.9090 9643.7430 14277.9200 9810.3520 14678.9400
Ribothymidine;3-Methyluridine;Imidazoleacetic acid riboside 698534.0172 232020.2475 344834.1240 371619.4568 425807.4543 343727.9248 557671.4019 301319.8164 314766.8744 193248.6977 1289417.8850 416458.4262 904655.9778 717110.0036 737377.7143 897130.7176 398757.2229 497295.2487 176813.7569 392986.0249 245749.1946 185522.1871 427151.4057 358852.4904
R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-propanesulfinothioate;S-2-Propenyl 1-propanesulfinothioate;S-Propyl 2-propene-1-sulfinothioate 1070970.8620 392555.0185 1108080.3310 1338946.9420 395383.8263 297152.8906 694820.1652 517686.8803 1055581.2620 161601.6046 279523.8587 633627.0122 1242815.8310 652009.1761 997962.2087 344366.3216 1120082.8550 559052.6007 745105.1447 240425.3834 459229.1332 836795.4873 665635.6014 457200.2091
S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-thiophenone;2-[(Methylthio)methyl]-2-butenal 2990584.9760 1102080.8400 2598629.9410 2228667.7770 3389173.5040 1373208.4260 1328134.3660 513301.0100 693820.8097 1871782.4120 1911270.1170 1824690.4190 3921687.3430 3483835.6280 890339.0575 804160.8917 3341470.6840 1354130.7660 1374983.2860 1140776.1570 1402575.5850 1868189.8450 1440758.5990 1754992.3430
Saccharopine;L-saccharopinate(1-) 730858.9669 105459.1775 353120.4943 328516.4800 92703.4339 22241.5796 163317.8399 86078.8208 42042.5592 45123.4144 32770.3627 103775.9120 1734726.3100 331733.4735 232112.6768 33918.7258 956187.6875 499528.7718 76511.2969 36035.0533 76255.6172 69713.1406 49735.5014 108799.0017
S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-E 92167.7399 241366.4014 1514243.5610 1401721.4930 159526.2038 33529.6243 281114.4036 19990.4774 87509.0304 204798.1523 64819.1359 263375.1583 795753.7005 2891369.2090 1718376.5830 14652.0090 1780729.6680 3274753.9450 206779.3429 21527.9932 53652.5114 78626.2689 164247.9614 309399.1435
S-Adenosylhomocysteine 2290392.0000 340843.0000 1082057.0000 2025070.0000 143565.7000 13703.1300 483278.4000 262594.8000 79718.6600 171335.3000 95368.4400 135066.3000 1016261.0000 919535.8000 413643.9000 24958.6100 1399584.0000 1895151.0000 170437.1000 24192.8100 64760.1800 69425.5300 100969.1000 195544.6000
S-Adenosylmethionine 167783.8000 45436.3400 98908.0900 118557.5000 85016.5700 32750.8100 96321.9300 130242.0000 56725.0900 239369.4000 293546.7000 94257.7000 262524.9000 155722.8000 352812.7000 37225.8200 348340.3000 126807.5000 76337.3400 40106.6600 80918.6600 137256.3000 128800.2000 149447.4000
Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl;3-Methylazelaic acid;2-Ethylsuberic acid;Heptylmalonic acid;Oxalic acid dibutyl ester;N-lactoyl-Isoeucine 15266999.7600 14236651.1800 4382553.0110 4181188.8230 4330506.0550 4616481.0480 4741711.6530 4689017.8730 5885660.3220 5159477.1820 6108175.2960 3387904.7630 3777351.3620 11946924.6900 14071794.5000 12467775.2500 5291749.1910 3907124.8460 5171713.3550 5867628.6170 4587657.7330 4201071.3890 3974414.4860 4925951.3330
Serotonin;Cotinine 20844915.3800 10686361.3200 18061681.2300 4485892.2440 12565211.7800 12662021.2000 8045608.9400 9107389.5200 10226828.5900 7859073.2680 2810760.4430 9418556.8390 14490077.4200 14313464.0200 10711645.4800 9885537.8950 9492134.0810 7005671.5480 4103310.7670 6990036.6290 5228300.5470 6821994.1710 7091432.3800 6489309.0930
Sertraline 564009.3136 30650.6472 55684.3621 53693.6055 4109.9668 165902.6225 45732.2227 14013.0477 3106.1990 6155.6868 8014.0192 84480.7640 73218.5420 193757.1791 90596.1930 43385.4315 120536.9525 73289.7557 2369.7529 3196.1405 2224.8878 3120.4765 461815.4181 2671.7057
S-(Formylmethyl)glutathione 75205.2170 22051.1123 2251965.7800 11625066.9200 118595.9888 9787.1076 93922.0627 11208.0818 24753.0484 180789.7384 12070.4653 83532.2562 2255744.3420 3722847.5630 4740917.8410 9500.0648 7304683.2210 10042414.3200 149882.2411 8847.8398 26858.7420 26978.2982 196057.5589 775930.1448
(S)-Homostachydrine;Tranexamic Acid 9527654.1030 5096632.5860 39026.2168 41336.4341 23859.4107 16371.7051 95124.3237 7379.4053 7736.3515 28585.3983 92563.6776 199757.3912 3807693.1070 845396.3909 68894.1893 148851.9103 399790.8179 33600.9801 26384.7790 18701.8205 14650.0229 30935.4821 16405.3580 91402.3952
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1_2-dimethyl-5_6-dihydroxy-tetrahydroisoquinoline 709295.7046 384993.1091 822737.0250 421752.2301 503280.8448 621173.1138 448221.6526 480363.6278 392149.1333 135787.2267 154586.8616 364757.0289 433967.6329 354088.5365 310687.5558 681215.3334 323410.6969 253973.8272 239828.4273 446134.1184 296086.5844 297864.9193 343948.6819 336211.0323
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1_2-dimethyl-5_6-dihydroxy-tetrahydroisoquinoline 1879022.7690 1875718.0710 2005450.6170 1672199.8120 2095393.2080 1815835.9510 1300201.7220 1336924.2710 1517316.7130 1601589.5410 1506791.8460 1904431.9940 1679995.9090 1569277.8790 1629086.7420 1741131.6410 1334630.9790 1381219.2110 1290594.7430 1035578.6620 1299136.0560 1479248.7100 1282021.9330 1556242.7270
Sorbitol;Mannitol;Galactitol;L-Iditol 949139.5452 731339.5208 1567448.7300 1575696.9350 1769175.4860 731374.5203 1382612.0740 1239200.7580 1344443.9080 1548612.3740 931267.0521 1219750.7160 1360561.6270 2220537.7170 1473962.2710 735990.7226 2213748.0560 2560763.6580 881782.5202 935976.2260 731876.4724 1033846.3190 971247.6434 940520.7161
Suberic acid;2_4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic acid 329691.9374 193301.9342 90055.6499 146641.8135 563429.7243 395002.8126 600525.7543 137929.6234 103067.2095 419886.8530 884806.1673 78301.7937 558654.1346 384572.8141 284259.4031 1832118.6680 491982.7338 330471.1004 557547.7502 737401.2548 813886.3138 140906.8435 600790.1100 723790.4183
Suberic acid;2_4-Dimethyladipic acid;Dimethyl adipate;Diethyl succinate;3-Methylpimelic acid;2-Propylglutaric acid;Ethyladipic acid 18882245.9000 17037519.3100 5080409.7630 4686996.3130 4244281.5430 4612722.6590 5270319.5790 5704663.0610 7279471.1220 4366898.8010 6828651.9280 4309543.2140 3795782.1500 13820190.6300 16666924.3300 13683379.5600 5336260.1060 4341815.4880 5675990.4230 6451706.5040 5199645.3170 5471973.1670 4534181.0380 5458415.9320
Succinic acid 17738080.0000 10642630.0000 26202430.0000 18852210.0000 14931320.0000 9298372.0000 24095500.0000 9877687.0000 10551750.0000 31973540.0000 24759830.0000 14149400.0000 18278560.0000 33651940.0000 20552170.0000 6496551.0000 56469670.0000 27232210.0000 7125858.0000 4305734.0000 7081666.0000 9412140.0000 6042877.0000 15690300.0000
Succinylacetone;Isopropylmaleate;xi-2_3-Dihydro-3_5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylate 1719218.1470 1814199.1860 564955.0540 487265.3689 543353.1094 487375.8978 546698.2967 598210.7010 642926.7755 512603.1639 758349.0625 386712.6252 437327.6322 1376637.7830 1564026.0060 1381376.6610 551572.0221 455322.1999 562151.5545 623171.3113 534672.7861 475261.4249 455372.3269 564255.0088
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin 106449.7959 89047.4683 319601.7854 397972.8961 191993.4596 54064.3758 208646.5336 137861.0309 125306.6459 375909.6551 551780.2056 256640.9600 1375537.1860 285319.2865 262395.6203 49893.7777 1231426.2130 223311.9820 102521.7788 70814.9054 114965.3385 121616.1687 84781.5799 226645.2055
Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulose;Trehalose;DEAE-cellulose;Cellobiose;Melibiose;Turanose;Kojibiose;Maltulose;Epimelibiose;6-({[3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2_3_4_5-tetrol;Allolactose;Galabiose;Fagopyritol A1;Neotrehalose;2-{[3_4-dihydroxy-2_5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3_4_5-triol;Inulobiose;beta-Lactose;Trehalulose;Glucose-1_3-mannose oligosaccharide;Sakebiose;Glucinol;Mannobiose;3-b-Galactopyranosyl glucose;Galactinol 38316.6382 47854.9780 73939.5575 57888.9443 59869.5254 45533.4674 166145.5196 1276608.2600 218747.3285 184874477.8000 25126308.4600 971130.1895 56332.8361 64722.1339 51965.6737 122925.0365 71606.7698 73557.6745 73390.1766 174207.8627 132270.1638 116701.2430 103968.5601 94777.8639
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi_5Z)-1_5-Octadien-3-ol;2_5-Octadien-1-ol;(2E_4E)-2_4-Octadien-1-ol;(3E_5Z)-3_5-Octadien-1-ol;1-Octen-3-one;(S_E)-Filbertone;2-Ethylidenehexanal;2_4_4-Trimethylcyclopentanone;5-Methyl-5-hepten-2-one;6-Methyl-3-hepten-2-one_ trans-;2-Octen-4-one;3-Methyl-3-hepten-2-one;6-Octenal;(Z)-5-Octenal;5-Octen-2-one;4-Octen-3-one 799722.6214 731131.2403 326082.7753 225068.3393 250922.4825 249898.1867 235110.0307 269221.0670 232685.3249 328733.5577 176020.2975 169399.2228 234595.8299 393305.6635 112094.3373 138588.6053 206923.2169 192968.5675 68686.0911 21849.3632 208400.0877 116462.9478 19931.6620 107082.6628
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi_5Z)-1_5-Octadien-3-ol;2_5-Octadien-1-ol;(2E_4E)-2_4-Octadien-1-ol;(3E_5Z)-3_5-Octadien-1-ol;1-Octen-3-one;(S_E)-Filbertone;5-Methyl-5-hepten-2-one;2_4_4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one_ trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-one 2918336.1500 2784871.6750 974769.4925 908845.8789 971863.3472 931383.3755 1055855.5100 1000246.6050 1157200.1440 1166614.0700 1324710.5690 834394.9753 841947.1487 2187395.4230 2642371.8050 2646875.7360 1014298.4930 896588.5319 1053902.9670 1293420.3240 1061839.6110 1022302.0930 921982.9011 1016681.8890
Sulfaphenazole 34193.5674 6614.0822 265523.7186 199363.8402 60144.8535 4828.6109 229415.0084 8760.5274 3401.2581 38346.1846 4605.1021 289975.4386 637268.0124 323478.0723 86857.4107 7499.3021 421847.1045 175764.6174 12207.7261 3499.7432 64116.5356 9895.8373 15625.0608 79202.4029
Sulfate 18305883.3700 18251786.5300 19187607.4400 16044989.4900 19153393.0000 19558389.7100 21819350.8700 21616224.8100 19546237.2400 21554248.3200 19940267.8100 25875487.1800 16981752.3600 17899466.7300 20649085.8900 20971045.3300 16828793.5800 15796410.0000 21504647.2000 20007454.2100 19980044.7000 20620399.4100 19935641.7700 20169549.8500
Sulfolithocholylglycine;Sulfoglycolithocholate(2-) 4192.7253 6249.8928 90443.1084 32712.3317 14275.2716 2530.7123 53004.6563 12869.7277 3666.6597 10285.3608 20853.4428 1350133.8640 26438.1669 46765.8366 5683.9404 2721.7133 27123.3119 69323.8929 28055.7433 5128.0473 2423.3379 2517.2491 4311.9095 22807.7124
Sulfolithocholylglycine;Sulfoglycolithocholate(2-).2 22414.9109 24956.2266 84500.1838 48348.4396 22449.6918 7951.7056 136741.8679 20063.5389 9322.9905 14550.8089 50015.6333 994112.0422 45183.9727 45521.0822 15968.3412 6342.6106 66326.1147 119345.1260 25000.7449 6766.2358 6615.4264 4781.7500 8971.1190 32216.7155
Tartaric acid;D-Tartaric acid;3-carboxy-2_3-dihydroxypropanoate 193914.2103 83707.9462 311028.7189 363803.0778 1001188.7650 243196.8670 8167310.3720 4471409.7550 1048217.1820 18309767.9500 14477840.9900 2326915.2330 279366.1819 3156853.5120 1864928.5110 2188901.0450 1399135.0020 1482289.4130 327883.6566 1378525.0710 840360.1289 447872.0667 1190694.6430 1368306.8870
Taurine 70416110.0000 46325550.0000 97557890.0000 131403500.0000 59396860.0000 47783710.0000 61830170.0000 50562530.0000 58906240.0000 41346090.0000 61676200.0000 74002750.0000 115037500.0000 91753350.0000 100306000.0000 53925670.0000 109709900.0000 132165800.0000 60134560.0000 47060620.0000 57680950.0000 64166790.0000 58575760.0000 71170100.0000
Taurocholic acid;Taurohyocholate;Tauro-b-muricholic acid;Tauroursocholic acid;Taurallocholic acid 613930.7952 530637.8633 4382017.9160 938211.4371 979200.7672 103769.9594 4289403.2480 705499.6601 395458.5185 688276.9100 2120664.8530 62594650.1700 3318056.8940 5077750.7520 554414.3959 42102.3969 5249236.7140 4152018.6970 1970426.9600 333556.6262 114708.7985 462605.8071 374313.7952 1522020.6480
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid 689.6452 603.4458 592.3679 794.4198 474.4102 2727.8818 467.6816 455.6217 467.4469 776.4285 506.2068 3048.6975 614.1651 601.7705 606.5510 517.4590 606.1929 533.1604 87779.8108 5180.3054 474.0397 6256.1449 461.7683 112467.6202
Tenofovir 75724.4364 122155.9669 421119.7607 339477.9511 131794.5845 26765.7796 152365.1540 76436.6772 67772.1394 34947.7089 41160.3028 64650.5266 340897.6801 510340.5688 346557.3801 65123.7556 958609.4334 458087.6197 40779.6516 30791.1886 14594.6942 48955.8547 54311.2799 83990.2776
Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate 1750629.6960 1782145.7750 489846.4900 387971.3508 464190.8591 423409.4766 530532.7322 462086.1221 604321.7733 488753.4901 580821.1065 346599.0188 396025.1790 1260158.4910 1409927.8020 1316760.0210 463962.5354 381254.4645 497932.5856 417628.0815 419958.9158 441348.4367 351724.0917 419595.2432
Tetrahydro-2_5-furan-diacetic acid 453739.4090 456322.7915 433722.0815 385923.4761 416825.2783 381512.9634 466077.1444 455014.0343 423796.8794 485029.9456 613392.4371 370793.8809 367720.6394 390388.0596 359581.8273 414216.1020 446632.6108 331963.5752 350195.7799 429479.7781 377922.6310 309342.3721 318376.0792 399922.5008
Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1_4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1_4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoate 303430.9152 2380232.6730 964414.9330 209509.0210 931558.9440 208049.5457 1820750.7140 163469.4900 991286.3628 193992.1404 289099.3935 180784.7484 1316460.0290 840726.9427 995399.9352 1866444.7280 1603256.9760 690873.1035 153011.3251 106316.4562 168824.6792 163151.7090 614662.5464 100310.4706
Thiamine 966275.9000 776521.8000 1916887.0000 1044367.0000 928383.1000 468497.3000 934525.4000 591181.8000 417291.2000 772099.4000 417581.3000 543596.8000 1172861.0000 1929969.0000 1651865.0000 333921.9000 1454170.0000 1620165.0000 366588.0000 247735.8000 316402.8000 397490.3000 480927.3000 527768.9000
Thiamine monophosphate 58656.0700 13084.1300 106443.2000 113816.2000 16167.4700 39220.3800 13568.7700 13791.5300 33860.2500 14137.8000 28703.1700 131528.2000 73788.5600 58538.6900 13747.4200 148704.0000 139786.1000 8431.9070 8000.3570 19992.5900
Thiolutin 127916.0368 19254.4728 371045.1027 1083638.6000 55055.1638 25622.4320 61425.6428 6911.0511 9938.7911 1764806.8500 2679535.0820 7632.2041 213701.6450 383285.5557 59414.4912 6734.5264 249229.8157 169717.6817 99549.6518 6249.2671 21467.7395 8234.8219 23754.5432 121975.6893
Thiosulfate;Hydroxidodioxidosulfidosulfate 845.9320 17263.6459 13796.4945 29733.3784 24365.3084 1380.0525 29321.8078 21714.6933 12000.1651 16384.6539 12987.8144 274727.6880 18292.6868 5230.7476 4373.4593 13767.5246 7820.3137 4978.1527 6935.0406 10870.8358 3442.1751 764.5211 4840.3611 7187.4967
Threonic acid;Erythronic acid;L-threonic Acid 5056623.1020 770772.4824 12600559.7800 23662825.0300 3295936.2290 626061.0246 4708637.7460 1327799.7550 2210014.9790 5885185.2640 4185521.1060 2864465.4300 21346302.8200 2080327.3730 4628870.1390 650967.4809 15826455.4300 10132444.9200 3535876.0500 899098.8640 1995299.3490 2116726.1540 3541054.8160 3071333.8940
Threonic acid;Erythronic acid;L-threonic Acid.2 5009582.3350 1176294.2270 4205104.4610 15539904.5300 148212.4883 503324.9711 209100.9391 693459.2957 153086.9984 1835725.2390 1514618.6810 9913.1407 689047.1184 2013839.6750 5128914.2490 475094.6376 7383349.4490 3900417.4310 171721.0806 73413.8426 71630.6800 141343.8945 172712.5858 1150153.3650
Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;Glutaminylserine 2793894.3420 99472.7425 1055048.7090 2950312.4820 33180.2790 6222.0955 770131.9177 54041.1409 24354.3135 75836.9793 6499.7233 124644.3487 1298984.4470 212458.3335 407294.3107 10584.8450 826358.0345 372305.3047 40184.7845 5068.3234 34688.4625 31403.6992 56825.4141 169198.4115
Thymidine 241388.4000 192660.3000 227387.3000 139782.3000 173751.1000 302931.7000 184886.8000 243298.3000 259232.8000 278495.3000 298662.5000 234684.2000 177585.9000 169755.3000 127300.1000 164872.8000 166889.3000 130488.5000 179396.5000 131247.9000 180254.1000 181105.4000 134750.8000 171198.0000
Tiglylcarnitine 581279.4880 537478.0947 164027.2466 138153.0614 166801.8608 142550.0617 165385.1507 161672.5522 174287.9688 189459.1328 220645.9557 154353.2396 141715.9740 365186.0669 367179.5424 343843.0786 159569.6666 122513.3940 109854.4076 127035.0819 140896.6646 116516.4039 85354.7060 130994.9812
Tolmetin glucuronide 88722.6284 51684.8250 1096823.5940 1341283.0030 200072.3578 17978.5553 85691.9990 50895.7992 80723.5644 10739.1507 28071.9660 173034.7708 1068316.9970 735561.2906 1145240.0170 66418.9030 3314281.0570 2100063.9560 72672.2737 21037.4317 46481.6279 70937.3704 86538.3216 132861.9704
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2_4-dioxohexanoate 4964775.1790 5211838.1340 1420658.4100 1213704.0560 1326663.9210 1280111.4950 1244493.1650 1292082.1840 1474520.1170 1272250.1220 1918093.8580 937517.7695 1095379.8500 3962369.9780 4708406.2280 4307319.7130 1259206.6520 1017182.9670 1329276.8120 1564741.8660 1195914.1070 1017467.2060 1141936.6060 1352043.9430
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2_4-dioxohexanoate.2 494606.9987 585624.3307 1565131.5270 834924.7493 447563.3936 476450.4720 652534.0902 233891.4572 276524.5890 298396.3917 326885.8835 589903.4104 852085.8849 844761.0610 774228.9281 369675.2671 547538.0991 733003.1399 319215.8792 250451.4838 283298.1192 279846.5001 258947.7561 322310.0959
trans-Aconitic acid;Dehydroascorbic acid;2_5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-) 470572.5866 252132.2191 270232.5613 259737.5962 262690.4977 220678.7941 359380.2313 462675.4113 264331.1868 663974.0465 475424.8778 393744.1250 1842033.9610 313085.0283 222423.7218 352905.1165 455822.7689 201520.3889 272500.4747 275431.1197 388866.5774 338563.2053 282718.5035 381520.0848
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-) 671675.4333 389686.0400 853309.3018 534578.7219 558888.1234 491166.0211 705304.1051 771920.2286 796869.4757 1304761.4120 1100989.4890 871211.1177 566354.9334 503024.5265 446427.2607 489928.2185 706835.3695 576269.9362 696945.4988 495840.3328 687654.9913 778794.3339 498853.1496 824942.9909
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2 74144.3317 19570.2076 98054.4192 110798.6130 53798.2646 17563.7337 148424.1553 42708.1814 31549.3020 135469.2357 1103168.9420 26023.4979 101410.9687 128631.0261 187755.5239 19230.0533 297728.7064 89003.9514 80319.3840 6181.6436 55998.8431 48513.0759 42878.4010 281587.5217
Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acid 117761.3413 159220.7804 213340.4428 165671.7534 97871.3842 240672.3422 248467.4584 479036.6741 109156.4472 493806.3197 527818.7333 175355.3185 195287.5343 96065.6715 100919.3206 176210.1545 240497.6610 142670.1417 142140.0265 135486.3773 204381.5730 263904.3392 78617.5960 136310.9985
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid 2925828.6490 2532503.1440 1299622.1180 873479.9898 1060753.0280 876785.7245 957519.4952 943216.3778 765492.3421 1180412.0260 657964.4594 738775.5293 981445.9905 1377464.7530 547183.7336 772197.8540 801813.6172 767558.0062 283355.8538 154986.7588 607716.7754 355545.9910 150285.3200 388281.6947
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid.2 86432.8989 88487.0742 45840.7240 35475.6294 34942.3003 18011.8741 101165.3467 157629.2171 27286.7208 961668.8384 727880.9706 142797.0114 34960.4973 55444.9218 63010.1056 66702.2275 33043.4295 27096.5828 47071.0778 103021.9242 27220.4110 32743.2741 23704.0226 36713.8504
Trichloroacetic acid 103760.8828 71399.5890 79315.3970 114504.1054 183147.9585 4859774.2150 51424.6559 52805.2299 20652.0817 33502.8055 112880.6915 52035.5131 54242.9757 244776.9555 42789.2553 62726.6628 51710.8066 191190.4771 56178.1629 36505.6010 37804.3452 201646.8385 33350.5529 57853.3427
Triethanolamine 842907.7698 142512.6198 144199.7270 203708.8591 158730.3180 231120.0931 121031.1501 143410.3852 109391.2230 89834.3799 172911.3462 341728.7422 298566.4030 142741.0040 193090.0298 135378.6020 106140.4112 104511.6944 187298.9082 94061.9504 95790.9273 116614.9236 107825.2657 112517.9537
Triethylene Glycol Monomethyl Ether 57250.6176 60895.5447 377038.8937 288385.2522 218244.2712 323851.1916 88445.6888 185444.6001 150280.2607 82867.9971 312604.0862 101297.5896 130929.9559 59795.6981 45498.2036 50356.7497 89224.2401 204424.5978 88091.6196 199811.2277 97228.3535 73713.5963 135040.2966 84058.1135
Trifluoroacetic acid 23457654.0100 17580986.9700 21323252.0600 18999403.2600 17590252.6000 15644889.3000 23000605.2500 20330202.1100 21816499.2400 18272606.3500 16436866.2700 22212511.7500 16611098.1400 20954512.1400 18594938.0000 21608540.3600 17404383.9800 19503162.8000 15160713.8900 16523797.2700 23732770.0200 15552771.2600 17632082.9600 15589677.9600
Trifluoroacetic acid.2 240809.2004 300269.1925 9652.5080 169167.9628 134049.3673 129707.1631 73389.6369 71899.5214 61489.3030 69565.3733 59451.3015 8415.1626 88266.8406 99568.9409 87484.8754 80019.4257 114073.4984 116100.0955 58096.8056 281874.1468 46681.5372 49637.6406 45058.4496 49548.3624
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol 5371673.5080 3679612.8270 6957825.8150 6995686.3250 8557805.0420 3343774.6420 1918905.9240 1276123.7490 2258654.2420 2370732.4120 1627641.9690 779299.9058 2971701.3230 5680187.4560 1050377.0140 1546187.1200 4172067.4640 6851035.6170 502206.4829 284350.5595 1051895.0730 2173245.8450 389886.2164 1272300.0680
Tromethamine 1490801.9240 1494771.0010 2107220.6200 1919101.4940 1060468.8010 1409056.8710 2679944.8210 1410688.7580 1959926.5120 1288751.3960 1002894.2260 1943322.9980 2060796.5860 2079293.6140 1860652.2260 2070760.1710 1755003.7330 5670340.7440 1936395.6280 1649141.6550 1522817.4710 1806115.3690 1670112.8040 1630234.2040
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1_2_3_4_5_6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2_6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;Tyraminium 1382820.1450 743575.0021 1216192.4410 1895739.5210 1287113.1950 1143811.0850 1138276.5060 643697.3707 991836.3701 664124.3179 1123537.0180 1248897.2400 1608683.8590 1403375.1400 1743084.7950 1059778.3930 852272.8691 1215063.7890 1149618.8930 619107.9355 699304.2827 675331.1067 959993.4524 792102.6848
Tyramine glucuronide 153243.4667 85671.4593 65817.5320 642515.4417 342429.0425 293330.2331 64371.3156 518329.2569 509452.1018 365846.7143 51994.2507 221137.2038 128794.9169 96459.3506 22627.7007 25789.8316 207032.5757 35839.5868 45909.2947 196513.8724 10385.2887 92514.3867 113331.0409 100730.4774
Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3_4-Dihydro-6-hydroxy-2_5_7_8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2_4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid 319169.3642 375965.3750 378050.6819 302917.1604 313547.4040 328881.8067 446685.6280 814893.8827 308930.9611 296701.9292 376390.9816 390312.5404 569621.9291 332994.6193 614453.6495 261445.5739 378648.0416 309035.2224 283692.8557 269332.5547 223959.4273 284030.2443 234314.4334 344128.9177
Undecanedioic acid;Butyl butyryllactate 20096113.9800 18887353.6100 4019750.1890 3794778.1510 4051067.5850 4104897.8090 4128578.0610 4320786.3170 5491700.1320 5313323.7370 6547083.3090 3589249.7620 3568772.7370 15341210.4600 19226292.7300 17221659.8500 4842765.0810 3639796.4060 4976651.1800 5538008.6260 4547969.2760 3784532.9710 3640346.4500 4457973.1220
Undecanoic acid;Hexyl valerate;1_1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4_5-dimethyl-1_3-dioxolane;Octanal propyleneglycol acetal;6_6-Dimethoxy-2_5_5-trimethyl-2-hexene;7_7-Diethoxy-3-heptene;4_6-Dimethylnonanoic acid 671007.1655 863465.9642 1011784.9360 477676.7190 655322.4440 609797.6448 610032.1158 650221.4179 724757.4348 289564.0576 398378.4229 600544.4125 607177.9794 783918.4693 842338.5204 770425.1075 483671.4383 563380.2620 606649.0129 640195.8793 465594.5557 498248.2299 503925.4691 345094.0066
Uracil 1257076.0000 451406.2000 581919.9000 508234.6000 472906.4000 405603.2000 672349.3000 509572.8000 448674.7000 909810.6000 1014287.0000 507803.1000 515000.1000 458872.4000 369347.9000 351279.8000 430233.0000 561017.4000 434616.7000 311136.8000 387063.3000 428647.8000 349026.3000 566690.0000
Urate radical 821564.5607 1070338.1400 1191159.3300 1142211.0970 1086812.8240 1416149.0840 1589355.6070 1171062.0330 1398533.8880 438494.4089 1015340.8840 1469746.0070 1124275.1310 929509.7945 1025436.6340 1144787.7420 1170654.3840 1244962.4990 1169060.5300 1467550.5280 1428778.2070 1308501.0720 1062115.3880 1159414.0320
Ureidopropionic acid 562994.9000 277998.5000 977733.0000 586023.0000 711345.1000 599361.1000 714431.8000 766493.0000 872879.8000 1077401.0000 705047.9000 523348.9000 1947825.0000 714971.6000 341745.3000 356178.5000 1311457.0000 1113998.0000 1394736.0000 457098.4000 888305.8000 1217147.0000 968254.0000 1163553.0000
Ureidosuccinic acid 524194.3000 208391.1000 288608.5000 177447.5000 469018.3000 410438.6000 519287.6000 496116.6000 522132.2000 591430.7000 666241.1000 510075.9000 322571.5000 191654.2000 216781.4000 307743.0000 270612.1000 279807.6000 383332.9000 446608.3000 384866.7000 369912.9000 340236.0000 391764.3000
Uric acid 21921180.0000 24538530.0000 31783500.0000 36350380.0000 25466070.0000 29308700.0000 40086780.0000 35351390.0000 35238100.0000 13966130.0000 30358510.0000 36864540.0000 29941330.0000 27159960.0000 30188650.0000 29093480.0000 34417990.0000 34477320.0000 29680770.0000 33431480.0000 34436440.0000 33202500.0000 24595670.0000 31472550.0000
Uridine 3442969.0000 1288676.0000 7646670.0000 6947714.0000 1735201.0000 1090184.0000 2253263.0000 1595068.0000 1353315.0000 2927705.0000 2409392.0000 2460350.0000 6873031.0000 12934250.0000 7017730.0000 701132.2000 9961497.0000 14887170.0000 1619597.0000 1081637.0000 1294498.0000 1515965.0000 1517271.0000 3010930.0000
Uridine 5^-monophosphate 486786.4000 94246.3700 1363665.0000 3106613.0000 161892.4000 7338.0490 191195.0000 21824.4700 57577.9000 109100.1000 61555.6300 248853.4000 1289656.0000 1030144.0000 1121313.0000 138608.4000 1997988.0000 2419821.0000 167020.9000 24194.6200 44740.0200 124981.3000 290464.6000
Uridine diphosphate glucose 595747.3000 38662.5200 465623.7000 2343368.0000 31147.7800 86508.8700 40953.2200 41806.0500 44931.1500 33680.8600 65069.6600 936699.1000 93423.1800 217831.7000 231338.3000 427081.7000 81176.8000 35316.2900 13793.9800 40761.0900 67828.2400
Uridine diphosphate glucuronic acid 41807.3400 15549.9600 71008.0600 11488.4300 17913.0800 37340.7300 10789.9200 6103.0980 6251.2950
Uridine diphosphate-N-acetylglucosamine 1105200.0000 120310.0000 1122775.0000 5612644.0000 119960.3000 226912.4000 50763.1800 56462.5700 74591.7500 25697.1600 190225.0000 2071303.0000 697375.2000 910589.1000 2442212.0000 2636486.0000 138360.1000 48521.8200 45813.7900 98187.3200 214368.4000
Urocanic acid 2804982.0000 4285748.0000 6443278.0000 10334320.0000 10853060.0000 2002747.0000 21707940.0000 33261490.0000 11535060.0000 71012760.0000 86725380.0000 18327780.0000 5489204.0000 1829907.0000 3951601.0000 8139526.0000 3711237.0000 8047717.0000 3990517.0000 11399470.0000 11750570.0000 7836400.0000 1719036.0000 13045150.0000
Valdecoxib 4852.5910 2187.4703 28209.2870 1246812.3430 2190.1539 1964.1793 8433.3758 1815.1290 1847.0640 3433.3533 53223.0106 6777.8285 66948.9459 12570.1388 20001.5675 148497.2111 79472.0408 112530.1649 1754.5375 1702.7538 2044.5563 1725.1041 1971.5948 2294.4121
Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) butanoate;N2-Succinyl-L-ornithine 193006.5870 142820.5965 330615.3216 267934.9319 52679.4601 44669.6235 178928.9297 38254.9359 32175.7857 76578.3467 63574.1454 56292.2429 408056.9899 205616.8500 142297.9147 64785.2487 524011.7045 253634.1048 50080.0912 43230.2430 30138.4091 42114.4109 57189.2159 69876.6042
Xanthine 6485199.0000 4428279.0000 16448260.0000 14277320.0000 2115579.0000 4608035.0000 4453429.0000 10957040.0000 637849.5000 18800720.0000 12423620.0000 5098006.0000 15762320.0000 12472700.0000 12137420.0000 2429887.0000 17300090.0000 18323170.0000 1859039.0000 81733.9000 681605.4000 750453.7000 2446380.0000 2771853.0000
Xanthosine 192171.8329 344175.6424 4185785.7290 7800462.9190 486098.6816 171165.9365 536078.5195 124034.0600 324056.7429 825935.2273 696824.6423 668754.5182 3339656.4230 4128851.3510 4183931.5420 74916.0054 5348091.3720 8009019.4670 697175.7748 104057.7201 172152.8625 210138.1525 491065.5694 949744.9787
Xanthylic acid;5^-xanthylate(2-) 14402.2396 2722.2931 77170.0747 259085.9825 2553.3913 2385.4573 17975.6009 2757.0544 2544.2787 6958.1540 10428.4588 6837.4645 191076.8929 117914.2639 145383.8645 2890.6253 301720.2983 590405.1480 2580.0934 2388.6579 2496.3347 2506.4105 3127.3783 8963.1684
xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexadecanedioic acid;Emedastine 669324.5846 730454.7855 219755.3374 148449.3191 166944.2937 116760.4870 121763.8327 128038.4977 144165.7087 171648.9568 116630.0403 125250.4233 96400.6185 287621.2699 155488.5139 154545.5139 107069.0725 99898.3824 75995.3027 59855.4333 69011.1460 78432.6289 36920.6733 80567.6767
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne 31909.2084 17569.7470 471923.2429 143660.7970 30009.1154 1996.2573 250549.1558 4053.6050 1816.6445 18157.7216 21021.5430 140099.3414 182579.2522 289519.5487 165522.7930 223225.7805 87108.5996 260103.9683 31440.6277 53548.4960 7273.7123 12835.0684 13873.6402 31237.7240
(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2_3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanone 375260.6405 335236.4605 641135.2827 516355.5682 819860.4780 717256.2824 202680.0671 185693.1806 294719.9153 206763.8546 160203.4396 324144.2513 501603.2921 199107.8553 152039.0377 178333.6635 225656.4996 251906.8234 165915.5354 123267.2443 172866.6534 231608.9164 128232.5847 169751.2041
Zanamivir 42027.9588 17742.5047 243448.0768 5253442.2900 29077.1278 11976.0864 67277.6956 49451.8205 80032.4889 54429.9285 64672.1245 62019.3665 520633.3460 2087141.8400 1500436.1380 23143.8550 464636.8488 4433447.1230 127382.5814 36431.3398 42057.3326 43010.3538 115540.7737 315872.9933
Zileuton O-glucuronide 36105.2616 50550.4331 378886.4092 396948.1656 98908.3590 12731.3703 54612.9957 27608.6818 39311.2834 68360.7413 38039.0466 86652.8298 365086.4626 357069.2120 380756.4225 35527.4930 570108.0726 457599.8873 48432.4284 19554.4201 21824.4551 36012.8323 43136.4974 69292.4511
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant
11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol;8alpha,13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol;Annoglabasin E;10-HETE;14R,15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid;11,12-EpETrE;7-HETE;12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid;15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid;18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19(S)-HETE;14,15-Epoxy-5,8,11-eicosatrienoic acid;5,6-Epoxy-8,11,14-eicosatrienoic acid;8,9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12,15-Epoxy-13,14-dimethyloctadeca-10,12,14-trienoic acid;12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acid
1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanediol diacetate;Menthyl ethylene glycol carbonate
1,11-Undecanedicarboxylic acid;Menthyl ethylene glycol carbonate;(±)-1,4-Nonanediol diacetate
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone
1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2
1,3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indoxyl;(±)-2-Hydroxy-2-phenylacetonitrile;4-Hydroxybenzeneacetonitrile;2-Methyl-4,5-benzoxazole;Mandelonitrile
[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose
1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose.2
1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2,3,4,5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucose
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol;(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol;(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol;3,7-Dimethyl-3-octene-1,2,6,7-tetrol;(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidinecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone
1H-Indole-3-carboxaldehyde
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione.2
1-Isothiocyanato-7-(methylsulfinyl)heptane
1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-2-aminoadipate(2-)
1-Methyladenosine
1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine
1-Methylhistidine
1-Methylhistidine.2
1-Methylnicotinamide
1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine
1-Octen-3-yl glucoside
1-Phosphatidyl-D-myo-inositol
(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1,3,8-triol;Ethyl (3R,5Z)-3-hydroxy-5-octenoate;(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol;(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol;exo,exo-1,8-Epoxy-p-menthane-2,6-diol;5-Hexyl-1,4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1,4-dioxan-2-one;3-Oxodecanoic acid
1-(sn-Glycero-3-phospho)-1D-myo-inositol
1-(sn-Glycero-3-phospho)-1D-myo-inositol.2
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid
2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;Dehydrowarfarin
2,4,6-Triethyl-1,3,5-trioxane;(±)-3-Hydroxynonanoic acid
2,4-Diamino-6-nitrotoluene;(S)-Spinacine
2,4-Dodecadienoic acid pyrrolidide
2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine
2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-Deoxynojirimycin
2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic acid
2-Diethylaminoethanol
{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid
2-Furancarboxaldehyde;Protoanemonin
2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1,3,5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1,3-diol;5-methoxy-2,4-dimethylbenzene-1,3-diol;1-Ipomeanol;2,6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1,2-diol;3,5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1,3-diol
2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one
{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid
{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;2-Hydroxy-2-ethylsuccinic acid;3-Methyl-3-hydroxypentanedioate;D-1-Deoxy-erythro-hexo-2,3-diulose;2(R)-Hydroxyadipic acid;Diethyl dicarbonate;D-1,5-Anhydrofructose
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1,5-Anhydrofructose;D-1-Deoxy-erythro-hexo-2,3-diulose;Diethyl dicarbonate
2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2,3-diulose;D-1,5-Anhydrofructose;Diethyl dicarbonate
2-Hydroxycaproic acid
2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate
2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol;Phlorin;Glucosylisomaltol
2-hydroxymexiletine;p-hydroxymexiletine
2-hydroxymexiletine;p-hydroxymexiletine.2
2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde
2-Hydroxyvaleric acid
2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4,5-pentol;Zymonic acid;2-Maleylacetate
2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid
(2-oxoethoxy)sulfonic acid
2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methylbenzene;4-Ethylphenol;2,5-Dimethylphenol;3,4-Dimethylphenol;2,6-Dimethylphenol;3-Ethylphenol;4-Methylbenzyl alcohol;2,3-Dimethylphenol;1-Methoxy-2-methylbenzene
(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;Galactosylglycerol
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]
(2S,4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyprolyl-Hydroxyproline;Prolyl-Glutamate;Glutamylproline
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.2
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.3
{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acid
3-[(3-Methylbutyl)nitrosoamino]-2-butanone
3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid
3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1,3-benzodioxol-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4-Methylenesebacic acid;Allixin
3-Amino-2-piperidone;N-Mononitrosopiperazine
3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide
3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;2,6-Dimethyl-7-octene-2,3,6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid
3-Hydroxydodecanedioic acid;Dibutyl malate
3-Hydroxydodecanedioic acid;Dibutyl malate.2
3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic acid;12-Hydroxydodecanoic acid;(R)-3-Hydroxydodecanoic acid
3-Hydroxymethylglutaric acid
3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acid
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.2
3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.3
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate
3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate.2
3-Hydroxytetradecanedioic acid
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;Epinine;4-Hydroxynorephedrine;a-Methyldopamine;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol
3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol;a-Methyldopamine;4-Hydroxynorephedrine
3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl acetate;Dihydropanaxacol;12S-HHT;3-Methyl-5-pentyl-2-furanheptanoic acid;5-Heptyl-3-methyl-2-furanpentanoic acid;5-Pentyl-2-furanoctanoic acid;Valeracetate
3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2,2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol diacetate;3,3-Dimethylglutaric acid
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Dimethyl fumarate;Ethyl hydrogen fumarate;Maleic acid homopolymer;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone
3-Methylglutaconic acid;trans-2-Hexenedioic acid;Maleic acid homopolymer;Dimethyl fumarate;Ethyl hydrogen fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone
3-Methylglutarylcarnitine;O-Adipoylcarnitine
3-Methylhistidine
3-Methyl sulfolene
3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylquinic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3-O-Caffeoyl-4-O-methylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid
3-Oxoglutaric acid
3-Oxoglutaric acid.2
3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R,S)-3-hydroxybutyrate
3-Phosphoglyceric acid
(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one;2-Carboxy-4-dodecanolide
3-Sulfinato-L-alaninate;3-Sulfinoalanine
{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-yl]oxy}sulfonic acid;4-Hydroxytamoxifen sulfate
{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid
4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic acid
(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2,4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acid
4-ethylphenylsulfate;3-ethylphenyl Sulfate
4-Guanidinobutanoic acid
4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;p-Anisidine
4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2,4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2,6,6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4,6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3,4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactone
4-Hydroxyproline
4-Pyridoxic acid
4-Trimethylammoniobutanoic acid
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one
5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid
5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid.2
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5,7-dimethyl-4-octanolide
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate
5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid
5S,6S-epoxy-15R-hydroxy-ETE
5Z-Dodecenoic acid;1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene;Ethyl 2-decenoate;Citronellyl acetate;Hexyl 2E-hexenoate;cis-4-Decenyl acetate;(±)-Menthyl acetate;[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde;Allyl nonanoate;1-Ethenylhexyl butanoate;Methyl 9-undecenoate;2-Octenyl butyrate;Ethyl 4-decenoate;Hexyl 2-methyl-3-pentenoate;Rhodinyl acetate;(±)-Citronellyl acetate;2-Hexenyl hexanoate;Hexyl 2-methyl-4-pentenoate;Methyl 10-undecenoate;11-Dodecenoic acid;cis-3-Hexenyl hexanoate;trans-Dodec-2-enoic acid;3-Heptyldihydro-5-methyl-2(3H)-furanone;7-Hexyl-2-oxepanone;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;2,6-Dimethyl-5-heptenal propyleneglycol acetal;xi-5-Dodecanolide;xi-Dihydro-5-octyl-2(3H)-furanone
6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2,5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one;3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one;(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5,7,8-Trihydroxyflavanone 7-glucoside;3,4,5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3,5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2,4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2,6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4'-Hydroxyfenoprofen glucuronide
6,8-Dihydroxypurine;Oxypurinol
6-allyl-8b-Carboxy-ergoline
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+)
6-Epi-7-isocucurbic acid glucoside
6-Hydroxy-1H-indole-3-acetamide
6-Hydroxypentadecanedioic acid
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione
6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione.2
6-Phosphogluconic acid
6-Phosphonoglucono-D-lactone
7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycine
8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresinol 8-glucoside
8-Ocimenyl acetate;Ethyl (2E,4Z,7Z)-Decatrienoate;(S)-p-Mentha-1,8-dien-10-yl acetate;Ethyl (2E,4E,7Z)-Decatrienoate;Perillyl acetate;(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate;(R)-2-Acetoxy-p-mentha-1,8-diene;Carvyl acetate;Menthadienyl acetate;(±)-Myrtenyl acetate;4-Hydroxypropofol;(2,2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S,Z)-Lyratol acetate
9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid;5,8,12-Trihydroxy-9-octadecenoic acid;9,12,13-TriHOME
9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Icariside B8;Dihydroroseoside;5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside;5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside
9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,10-Epoxyoctadecenoic acid;(9Z,​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8,10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E,12Z)-9-HODE;12,13-EpOME
9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Butyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-oxobutanoate;cis-3-Hexenyl lactate;5-Pentyl-1,4-dioxan-2-one;Butyl levulinate;4-Hydroperoxy-2-nonenal;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one
(±)-3-Hydroxynonanoic acid;2,4,6-Triethyl-1,3,5-trioxane
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acid
Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acid
Acetyl citrate
Acetyl-CoA
Acetylcysteine
Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3-oxobutanoic acid
(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1,8-cineole;Linalyl oxide;cis-4-Decenoic acid;2,6-Dimethyl-3,7-octadiene-2,6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one;3-Methyl-2,4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2,6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1,3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3,7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-Hydroxycineol
Adenine
Adenosine
Adenosine monophosphate
Adenosine triphosphate
Adipic acid;Methylglutaric acid;2-Methylglutaric acid;4-Ethoxy-4-oxobutanoic acid;Solerol;Dimethyl succinate;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid
ADP
ADP-glucose
AICAR
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline
Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline.2
Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylalanine;Alanyl-Gamma-glutamate
Alanylglycine;Ureidoisobutyric acid;D-Glutamine
Allantoin
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide
Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide.2
alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2,3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-Methylbutyrate
Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic acid;Linolenelaidic acid;Punicic acid
alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z,4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5,6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactone
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid.2
Aminoadipic acid
Anserine;Homocarnosine;Balenine
apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]
Argininic acid
Argininosuccinic acid
Ascorbic acid
Ascorbic acid-2-sulfate
Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid
Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acid
Aspartylglycosamine
Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-L-galacto-Nonulose
Asymmetric dimethylarginine
Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}-4-methoxybenzoic acid;Clovamide
Azelaic acid;Nonate;3-Methylsuberic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;2,4-Dimethylpimelic acid;(+/-)-Methyl 5-acetoxyhexanoate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;Diethyl methylsuccinate;Diethyl glutarate;Butyl ethyl malonate
Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2,4-Dimethylpimelic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate
Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenal
Beta-Guanidinopropionic acid
Beta-Guanidinopropionic acid.2
Beta-Guanidinopropionic acid.3
Beta-Guanidinopropionic acid.4
Betaine
Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehyde
Butyrylcarnitine
Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid
Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;Monomethyl phthalate;(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid;3-(3,5-Dihydroxyphenyl)-2-propenoic acid;(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carboxylic acid;3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enoic acid;(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid;3,4-Dihydroxy-trans-cinnamate;3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-Hydroxyphenylpyruvic acid;2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid
Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2,4,5-Trimethyl-1,3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2,2,4-Trimethyl-1,3-dioxolane
Caproylcholine
Caprylic acid
Carnosine
Casimiroin
Casimiroin.2
CDP-Ethanolamine
Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b,12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b,12a-Dihydroxy-5b-cholanoic acid;3a,12b-Dihydroxy-5b-cholanoic acid;7a,12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b,12a-Dihydroxycholanoic acid;3b,7a-Dihydroxy-5b-cholanoic acid;3a,7a-Dihydroxycholanoic acid;3b,12a-Dihydroxy-5a-cholanoic acid
Chloramphenicol
Chloroform
Choline
Cinitapride;Acetyl tributyl citrate
Cinnamyl benzoate;Benzyl cinnamate;4'-Methoxychalcone;15(R)-hydroperoxy-EPE
cis-Acetylacrylate;Norfuraneol
cis-Acetylacrylate;Norfuraneol.2
cis-Aconitic acid
Citbismine C
Citicoline
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;2-Pentendioate;Itaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Mesaconic acid;Gamma-delta-Dioxovaleric acid
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid
Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid.2
Citric acid
Citrulline
Creatine
Creatinine
Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2,3-Heptanedione;2,4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2,3-hexanedione;3,4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;Pantolactone
Cysteine-S-sulfate
Cytidine
Cytidine monophosphate
Cytosine
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3
D-2-Hydroxyglutaric acid
D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid
Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3,4-Hexanedione;Dihydro-4,4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2,3-pentanedione;Prenyl formate;Allyl propionate;epsilon-Caprolactone
Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid
Deoxyuridine
D-Fructosazine;Isomugineic acid
D-Fructose
D-Glucose
D-Glucuronic acid
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde
D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde
D-Glyceraldehyde 3-phosphate
D-glycero-L-galacto-Octulose
D-glycero-L-galacto-Octulose.2
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-one
Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetate
Dicyclohexyl disulfide
Diethanolamine
Diethylcarbamazine N-oxide
Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid
Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl)
Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine
Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine
Diisopentyl thiomalate
Dimethylphosphate;Ethylphosphate
Dioscorine;N,N,O-Tridesmethyltramadol
DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate
D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate.2
Docosahexaenoic acid;Grifolin;Retinol acetate;Neogrifolin;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol
Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin A
Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetal
D-Ornithine
D-Ornithine.2
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal
D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal.2
D-Ribose
D-Ribose 5-phosphate
D-Ribulose 5-phosphate
D-Sedoheptulose 7-phosphate
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-Apiose
D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;Aldehydo-D-xylose;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;2-Deoxypentonic acid;beta-Arabinose;D-Apiose
(E)-Avenanthramide D;Avenanthramide 1p
Edetic Acid
Ethyl glucuronide;6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate
FAD
Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide
Formiminoglutamic acid
Fructosamine;beta-D-Glucosamine
Fructose 6-phosphate
Fumaric acid
Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone
Galactonic acid
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;3-Aminobutanoic acid;O-Acetylethanolamine;N-Ethylglycine
gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine
gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate
gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine
Garcinia acid
Glucaric acid;Galactaric acid;D-Glucaric acid
Gluconic acid
Glucosamine
Glucosamine 6-phosphate
Glucose 6-phosphate
Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic Acid
Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamate
Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1,4-erythrono-D-lactone;2-Deoxy-L-ribono-1,4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate
Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;(S)-2-Acetolactate;2-Acetolactate
Glutarylcarnitine
Glutathione
Glyceric acid;D-2,3-Dihydroxypropanoic acid
Glycerol 1-(5-hydroxydodecanoate)
Glycerol 3-phosphate
Glycerophosphocholine
Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine
Glycine
Glycodiazine
Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-Cellobiosylcellobiose
Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninate
Glycyl-Lysine;Lysyl-Glycine
Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E,6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrate
Guanidinosuccinic acid
Guanidoacetic acid
Guanine
Guanosine
Guanosine monophosphate
Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoate
Heptanoylcholine
Hexanoylcarnitine
Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;Isovalerylalanine
Hexylamine;Triethylamine
Hippuric acid
Hirsutin
Hirsutin.2
Histamine;Betazole;Histamium
Histidinyl-Asparagine;Asparaginyl-Histidine
Homoarecoline
Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2,4-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;3-(2,4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3,4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-(2,5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(3,5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-Hydroxyphenyllactate
Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3,4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2'-Hydroxy-5'-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2'-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1,2-diol;4'-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3'-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenone
Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine
Hydroxylated lecithin
Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;Leucyl-Hydroxyproline;Hydroxyprolyl-Leucine
Hypotaurine
Hypoxanthine
I(-)
Imidazoleacetic acid
Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil
Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene
Indolepyruvate
Indoxyl sulfate
Inosine
Inosinic acid
Isocitric acid;Diketogulonic acid;(1R,2R)-Isocitric acid;2,3-diketogulonate;D-threo-Isocitric acid;D-Glucaro-1,4-lactone;2,3-Diketo-L-gulonate
Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone;D-threo-Isocitric acid
Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Leucine;Threoninyl-Isoleucine;Spermic acid 2
Isosorbide Mononitrate;gamma-Carboxyglutamic acid
Isovalerylcarnitine
Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;Betonicine;5-Acetamidovalerate;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Calystegine A6;Turicine;Medicanine;Calystegin A3;Calystegine A7;4-Hydroxystachydrine
Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-ketovaleric acid;4-Acetylbutyrate;Adipate semialdehyde;2-Ketohexanoic acid;Mevalonolactone;Acetoin acetate;Sherry lactone;Ethyl acetoacetate;(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one;Methyl levulinate;5-Ethoxy-4,5-dihydro-2(3H)furanone;3-Oxohexanoic acid
Kuwanon Z
Kynurenic acid
L-2-Amino-3-(1-pyrazolyl)propanoic acid
L-2-Amino-3-(1-pyrazolyl)propanoic acid.2
L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid
L-Acetylcarnitine
Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositol
L-Alanine
L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoethoxyacetic acid;Hydroxyethyl glycine
L-Arginine
L-Asparagine
L-Aspartic acid
L-Carnitine
L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Amino-2-pyrrolidinecarboxylic acid
L-Cystathionine
L-Cystine
L-Dihydroorotic acid
Leucylproline;Isoleucylproline
Leucylproline;Isoleucylproline.2
Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleucyl-Serine;Valyl-Threonine;Threoninyl-Valine;Meprobamate;Pantothenamide;L-Lysopine
L-Glutamic acid
L-Glutamine
L-Glyceric acid
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid
L-Histidine
L-Homocysteic acid
L-Homocysteic acid.2
L-Homoserine
Linoleic acid;Dihomolinoleic acid;9E,11E-Octadecadienoic acid;Ethyl 2E,4Z-hexadecadienoate;Mangiferic acid;5-Octadecynoic acid;Linalyl caprylate;Linoelaidic acid;6Z,9Z-octadecadienoic acid;Octadecadienoate;Bovinic acid;10E,12Z-Octadecadienoic acid
L-Isoleucine
L-Kynurenine
L-Lactic acid
L-Leucine
L-Lysine
L-Menthyl acetoacetate
L-Methionine
L-Phenylalanine
L-Pipecolic acid
L-Proline
L-Serine
L-Threonine
L-Tryptophan
L-Tyrosine
L-Valine
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid
L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2
LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0)
LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phosphocholine
LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z,17Z));2-Arachidonoylglycerophosphocholine
Lysyl-Valine;Valyl-Lysine
Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-methylellagic acid;Blighinone;Inosine 2',3'-cyclic phosphate
Malic acid
Malondialdehyde;Pyruvaldehyde;Acrylic acid
Malondialdehyde;Pyruvaldehyde;Acrylic acid.2
Malonylcarnitine;O-malonyl-L-carnitine;Linamarin
Malonyl-Carnitin;(S)-carnitinium
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1,2,4-triol
Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1,2,4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde
Marcanine A
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl Phenylglyoxalate
m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate
Methoxamine;Orciprenaline;Isoproterenol
Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfide
Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfide
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.2
Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.3
Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2,2,6,6-Tetramethyl-4-piperidinone
Methylphosphate
Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine
Mexiletine;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Methoxyphenamine
Monoiodothyronine
Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2
Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3
Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2,6,10-Trimethylundecanoic acid;Hexanal octane-1,3-diol acetal
Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolide
N-(1-Deoxy-1-fructosyl)histidine
N-(1-Deoxy-1-fructosyl)histidine.2
N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine
N-(1-Deoxy-1-fructosyl)threonine
N-(1-Deoxy-1-fructosyl)tyrosine
N-(1-Deoxy-1-fructosyl)valine
N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide
N2-Fructopyranosylarginine
N2,N2-Dimethylguanosine;1,7-Dimethylguanosine
N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;N-Isobutyl-2,4,8-decatrienamide;Sarmentine
N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide
N6-Acetyl-L-lysine
N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine
N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine
N6,N6,N6-Trimethyl-L-lysine
N-Acetylarylamine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-Phenylacetamide
N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-Phenylacetamide
N-Acetylasparagine
N-Acetylaspartylglutamic acid
N-Acetyl-D-glucosamine
N-Acetyl-glucosamine 1-phosphate
N-Acetylglutamic acid
N-Acetylglutamine
N-Acetylhistidine
N-Acetyl-L-alanine
N-Acetyl-L-aspartic acid
N-Acetyl-L-methionine
N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylate
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.2
N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.3
N-Acetylornithine
N-Acetylputrescine
N-Acetyltaurine;Homocysteinesulfinic acid
N-Acetyltaurine;Homocysteinesulfinic acid.2
N-Acetyltaurine;Homocysteinesulfinic acid.3
N-acetyltryptophan
NAD
NADP
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate
N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoate
N-Desmethyl tapentadol
Ne,Ne dimethyllysine
Neuraminic acid;N-(1-Deoxy-1-fructosyl)serine
N-Formyl-L-methionine
N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutamyl-Gamma-glutamate;Glutaminylglutamic acid;Norophthalmic acid
N-Gluconyl ethanolamine
N-Glycolylneuraminic acid;NeuNGc
Niacinamide
Nicotinamide riboside
N-lactoyl-Methionine
N-Methyl-1-deoxynojirimycin
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine
N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid
N-Methylnicotinamide;Pralidoxime;2-Methylnicotinamide;4-Acetyl-2-methylpyrimidine;2-Aminobenzamide;2-Acetyl-3-methylpyrazine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool
N,N'-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolidine
N,N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanal
N,O-Didesmethyltramadol;N,N-Didesmethyltramadol
norcisapride
N-Succinyl-L,L-2,6-diaminopimelate
N-Succinyl-L,L-2,6-diaminopimelate.2
N-Undecanoylglycine
N-Undecylbenzenesulfonic acid
Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic acid;Octadec-9-enoic Acid;(Z)-13-Octadecenoic acid;7Z-octadecenoic acid;(E)-13-Octadecenoic acid;Ethyl 9-hexadecenoate;Petroselinic acid
O-methoxycatechol-O-sulphate
O-Phosphoethanolamine
Ophthalmic acid
Ornithine
Orotic acid
Orotidine
Oxidized glutathione
Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acid
Oxoglutaric acid
Palmitic acid
Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;(E)-3-Hexadecenoic acid;Citronellyl hexanoate;(Z)-13-Hexadecenoic acid;(E)-11-Hexadecenoic acid;(Z)-5-Hexadecenoic acid;(Z)-14-Methyl-6-pentadecenoic acid;(E)-6-Hexadecenoic acid;Trans-Hexa-dec-2-enoic acid;15-Hexadecanolide;5-Dodecyldihydro-2(3H)-furanone
Pantothenic acid
p-Chlorobenzene sulfonyl urea
p-Chlorobenzene sulfonyl urea.2
p-Chlorobenzene sulfonyl urea.3
p-Chlorobenzene sulfonyl urea.4
p-Chlorobenzene sulfonyl urea.5
p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-Vacciniin
p-Cresol sulfate;Benzyl sulfate
Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronate
Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-methylbutanoate;Propyl hexanoate;xi-2-Ethylheptanoic acid;Oenanthic ether;Butyl pentanoate;Isoamyl butyrate;Hexyl propionate;2-Methylpropyl 3-methylbutanoate;3-(Hydroxymethyl)-2-octanone;Methyl caprylate;4-Methyloctanoic acid;Isopropyl hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1,3-dioxolane;3-Methylbutyl 2-methylpropanoate
Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1,8-dien-6-one;2-tert-Butyl-1,4-benzenediol;3-Hydroxy-p-mentha-1,8-dien-7-al;alpha-Teresantalic acid;2,4,7-Decatrienoic acid;5-Hydroxy-p-mentha-6,8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1,2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1,4-Epidioxy-p-mentha-2,8-diene;(1xi,4xi,6xi)-Carvone oxide;Rotundifolone;1,1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1,2:3,4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3,5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-ol
Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone
Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone
Phenol sulphate
Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;1-Furfurylpyrrolidine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-Hydroxyamphetamine
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate
Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2
Phosphocreatine
Phosphoenolpyruvic acid
Phosphorylcholine
Pimelylcarnitine
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate;N4-Acetylaminobutanal
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;N4-Acetylaminobutanal;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;3-Acetamidobutanal
Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-Acetamidobutanal
Piperidine
Piperidine.3
Piperidine.4
Polyethylene, oxidized
Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane
Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hydroxyproline;Tetraacetylethylenediamine;Hydroxyprolyl-Proline
Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate
Propionylcarnitine
Protocatechuic acid;Gentisic acid;3,5-Dihydroxybenzoic acid;2-Pyrocatechuic acid;2,4-Dihydroxybenzoic acid;2,6-Dihydroxybenzoic acid;Patulin;2,4,6-trihydroxybenzaldehyde
Pseudouridine
Pummeline;Koeniginequinone B;4-hydroxy ketorolac
Pyrocatechol sulfate;Hydroquinone sulfate
Pyroglutamic acid
Pyrophosphate
Pyrrolidine
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;N-Acryloylglycine;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione
Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione
Pyruvic acid
(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2-(5-Methyl-2-furanyl)-3-piperidinol;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol
Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol.2
Riboflavin
Ribothymidine;3-Methyluridine;Imidazoleacetic acid riboside
R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-propanesulfinothioate;S-2-Propenyl 1-propanesulfinothioate;S-Propyl 2-propene-1-sulfinothioate
S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-thiophenone;2-[(Methylthio)methyl]-2-butenal
Saccharopine;L-saccharopinate(1-)
S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-E
S-Adenosylhomocysteine
S-Adenosylmethionine
Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl;3-Methylazelaic acid;2-Ethylsuberic acid;Heptylmalonic acid;Oxalic acid dibutyl ester;N-lactoyl-Isoeucine
Serotonin;Cotinine
Sertraline
S-(Formylmethyl)glutathione
(S)-Homostachydrine;Tranexamic Acid
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline
(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline
Sorbitol;Mannitol;Galactitol;L-Iditol
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic acid
Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;Diethyl succinate;3-Methylpimelic acid;2-Propylglutaric acid;Ethyladipic acid
Succinic acid
Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylate
Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin
Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulose;Trehalose;DEAE-cellulose;Cellobiose;Melibiose;Turanose;Kojibiose;Maltulose;Epimelibiose;6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol;Allolactose;Galabiose;Fagopyritol A1;Neotrehalose;2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;Inulobiose;beta-Lactose;Trehalulose;Glucose-1,3-mannose oligosaccharide;Sakebiose;Glucinol;Mannobiose;3-b-Galactopyranosyl glucose;Galactinol
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;2-Ethylidenehexanal;2,4,4-Trimethylcyclopentanone;5-Methyl-5-hepten-2-one;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;3-Methyl-3-hepten-2-one;6-Octenal;(Z)-5-Octenal;5-Octen-2-one;4-Octen-3-one
Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;5-Methyl-5-hepten-2-one;2,4,4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-one
Sulfaphenazole
Sulfate
Sulfolithocholylglycine;Sulfoglycolithocholate(2-)
Sulfolithocholylglycine;Sulfoglycolithocholate(2-).2
Tartaric acid;D-Tartaric acid;3-carboxy-2,3-dihydroxypropanoate
Taurine
Taurocholic acid;Taurohyocholate;Tauro-b-muricholic acid;Tauroursocholic acid;Taurallocholic acid
Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid
Tenofovir
Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate
Tetrahydro-2,5-furan-diacetic acid
Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1,4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoate
Thiamine
Thiamine monophosphate
Thiolutin
Thiosulfate;Hydroxidodioxidosulfidosulfate
Threonic acid;Erythronic acid;L-threonic Acid
Threonic acid;Erythronic acid;L-threonic Acid.2
Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;Glutaminylserine
Thymidine
Tiglylcarnitine
Tolmetin glucuronide
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate
trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2
trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-)
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-)
trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2
Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acid
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid
Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid.2
Trichloroacetic acid
Triethanolamine
Triethylene Glycol Monomethyl Ether
Trifluoroacetic acid
Trifluoroacetic acid.2
Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol
Tromethamine
Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2,6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;Tyraminium
Tyramine glucuronide
Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid
Undecanedioic acid;Butyl butyryllactate
Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4,5-dimethyl-1,3-dioxolane;Octanal propyleneglycol acetal;6,6-Dimethoxy-2,5,5-trimethyl-2-hexene;7,7-Diethoxy-3-heptene;4,6-Dimethylnonanoic acid
Uracil
Urate radical
Ureidopropionic acid
Ureidosuccinic acid
Uric acid
Uridine
Uridine 5'-monophosphate
Uridine diphosphate glucose
Uridine diphosphate glucuronic acid
Uridine diphosphate-N-acetylglucosamine
Urocanic acid
Valdecoxib
Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) butanoate;N2-Succinyl-L-ornithine
Xanthine
Xanthosine
Xanthylic acid;5'-xanthylate(2-)
xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexadecanedioic acid;Emedastine
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne
(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2,3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanone
Zanamivir
Zileuton O-glucuronide
METABOLITES_END
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