#METABOLOMICS WORKBENCH STUDY_ID:ST000087 ANALYSIS_ID:AN000139 PROJECT_ID:PR000079 VERSION 1 CREATED_ON 2016-09-14 #PROJECT PR:PROJECT_TITLE A study of changes in lipid metabolism of ovarian cancer cells co-cultured with PR:PROJECT_TYPE timecourse study PR:PROJECT_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted PR:PROJECT_SUMMARY Ernst Lengyel (University of Chicago). The biology of ovarian cancer PR:PROJECT_SUMMARY is clearly distinct from that of most epithelial tumors, in that hematogenous PR:PROJECT_SUMMARY are rare, and ovarian tumors remain confined to the peritoneal cavity. The PR:PROJECT_SUMMARY a large pad of fat tissue (20x13x3cm) covering the bowel, is the most common PR:PROJECT_SUMMARY of OvCa metastasis. It consists primarily of adipocytes, which become the PR:PROJECT_SUMMARY microenvironment for the OvCa cells. The underlying hypothesis for this PR:PROJECT_SUMMARY is that, in the presence of adipocytes, the metabolism of OvCa cells is PR:PROJECT_SUMMARY and shifts towards lipid utilization, which provides energy that facilitates PR:PROJECT_SUMMARY growth and metastasis. Preliminary results suggest that primary human omental PR:PROJECT_SUMMARY secrete cytokines which promote the metastasis of OvCa cells to the omentum and PR:PROJECT_SUMMARY subsequent invasion. Once metastasis has occurred, OvCa cells induce lipolysis PR:PROJECT_SUMMARY omental adipocytes, and use the energy derived from these lipids to PR:PROJECT_SUMMARY study the metabolic changes in the tumor microenvironment we have established a PR:PROJECT_SUMMARY organotypic culture of the human omentum using primary human cells established PR:PROJECT_SUMMARY patient tissue. Metabolic studies will be performed on adipocytes and OvCa PR:PROJECT_SUMMARY individually, on conditioned media and on adipocytes and OvCa cells co-cultured PR:PROJECT_SUMMARY our 3D model, with the goal of arriving at a comprehensive analysis of primary PR:PROJECT_SUMMARY and lipids in the tumor microenvironment. In the current investigation, PR:PROJECT_SUMMARY analysis of primary metabolites and complex lipids were conducted on adipocytes PR:PROJECT_SUMMARY OvCa cells individually, on conditioned media and on adipocytes and OvCa cells PR:PROJECT_SUMMARY in our 3D model. Analysis of oxylipins was conducted on conditioned media. To PR:PROJECT_SUMMARY better understanding of the dynamic regulation of metabolic pathways we will PR:PROJECT_SUMMARY perform metabolic flux analysis using labeled cells (13C-glucose, PR:PROJECT_SUMMARY in the 3D culture model. The primary objective of this study is to gain PR:PROJECT_SUMMARY into the dynamic interactions between OvCa cells and human adipocytes with the PR:PROJECT_SUMMARY of elucidating targets of therapeutic intervention. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis, PR:ADDRESS 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 #STUDY ST:STUDY_TITLE A study of changes in lipid metabolism of ovarian cancer cells co-cultured with ST:STUDY_TITLE GC-TOF MS analysis ST:STUDY_TYPE timecourse study ST:STUDY_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted ST:STUDY_SUMMARY Ernst Lengyel (University of Chicago).The biology of ovarian cancer (OvCa) is ST:STUDY_SUMMARY distinct from that of most epithelial tumors, in that hematogenous metastases ST:STUDY_SUMMARY rare, and ovarian tumors remain confined to the peritoneal cavity. The omentum, ST:STUDY_SUMMARY large pad of fat tissue (20x13x3cm) covering the bowel, is the most common site ST:STUDY_SUMMARY OvCa metastasis. It consists primarily of adipocytes, which become the ST:STUDY_SUMMARY microenvironment for the OvCa cells. The underlying hypothesis for this ST:STUDY_SUMMARY is that, in the presence of adipocytes, the metabolism of OvCa cells is ST:STUDY_SUMMARY and shifts towards lipid utilization, which provides energy that facilitates ST:STUDY_SUMMARY growth and metastasis. Preliminary results suggest that primary human omental ST:STUDY_SUMMARY secrete cytokines which promote the metastasis of OvCa cells to the omentum and ST:STUDY_SUMMARY subsequent invasion. Once metastasis has occurred, OvCa cells induce lipolysis ST:STUDY_SUMMARY omental adipocytes, and use the energy derived from these lipids to ST:STUDY_SUMMARY study the metabolic changes in the tumor microenvironment we have established a ST:STUDY_SUMMARY organotypic culture of the human omentum using primary human cells established ST:STUDY_SUMMARY patient tissue. Metabolic studies will be performed on adipocytes and OvCa ST:STUDY_SUMMARY individually, on conditioned media and on adipocytes and OvCa cells co-cultured ST:STUDY_SUMMARY our 3D model, with the goal of arriving at a comprehensive analysis of primary ST:STUDY_SUMMARY and lipids in the tumor microenvironment.In the current investigation, ST:STUDY_SUMMARY analysis of primary metabolites and complex lipids were conducted on adipocytes ST:STUDY_SUMMARY OvCa cells individually, on conditioned media and on adipocytes and OvCa cells ST:STUDY_SUMMARY in our 3D model. Analysis of oxylipins was conducted on conditioned media. To ST:STUDY_SUMMARY better understanding of the dynamic regulation of metabolic pathways we will ST:STUDY_SUMMARY perform metabolic flux analysis using labeled cells (13C-glucose, ST:STUDY_SUMMARY in the 3D culture model.The primary objective of this study is to gain insight ST:STUDY_SUMMARY the dynamic interactions between OvCa cells and human adipocytes with the ST:STUDY_SUMMARY of elucidating targets of therapeutic intervention. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility451 Health Sciences DriveDavis, CA ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 14 ST:STUDY_COMMENTS Lipidomics profiles for studyFor the co-culture Human Adipocytes were grown in ST:STUDY_COMMENTS of SKOV3ip1 ovarian cancer cellsFor control samples the adipocytes were grown ST:STUDY_COMMENTS the absence of SKOV3ip1 ovarian cancer cells---Exp design 2 x 14Final result is ST:STUDY_COMMENTS by merging results from both files and applying dilution factor.Reason was high ST:STUDY_COMMENTS concentration in positive mode onlyRaw Data File (Positive Mode_TGs) ST:STUDY_COMMENTS Data File (Positive Mode_Non-TGs) (dilution2) #SUBJECT SU:SUBJECT_TYPE Cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN Human Adipocytes SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Patient 1181 S19F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1193 S23F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1194 S24F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1197 S25F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1181 S26F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1171 S17G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1181 S19G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1182 S20G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1193 S23G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1194 S24G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1197 S25G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1198 S26G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1171 S17C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1181 S19C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1182 S20C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1193 S23C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1194 S24C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1197 S25C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1198 S26C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1171 S17A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1181 S19A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1182 S20A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1193 S23A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1194 S24A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1197 S25A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1198 S26A Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1171 S17B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1181 S19B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1182 S20B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1193 S23B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1194 S24B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1197 S25B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS - S26B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours SUBJECT_SAMPLE_FACTORS Patient 1218 S29F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1230 S33F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1237 S35F Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1218 S29G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1230 S33G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1237 S35G Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1218 S29C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1230 S33C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34C Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30A Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31A Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32A Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34A Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1237 S35A Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1218 S29B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1230 S33B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1237 S35B Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1218 S29D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1230 S33D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1237 S35D Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1218 S29E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1222 S30E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1223 S31E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1229 S32E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1230 S33E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1238 S34E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours SUBJECT_SAMPLE_FACTORS Patient 1237 S35E Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY GC CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 6890N CH:COLUMN_NAME Restek Corporation Rtx-5Sil MS CH:METHODS_FILENAME Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf CH:COLUMN_PRESSURE 7.7 PSI (initial condition) CH:COLUMN_TEMPERATURE 50 - 330C CH:FLOW_RATE 1 ml/min CH:INJECTION_TEMPERATURE 50C ramped to 250C by 12C/s CH:SAMPLE_INJECTION 0.5l CH:OVEN_TEMPERATURE 50C for 1 min, then ramped at 20C/min to 330C, held constant for 5 min CH:TRANSFERLINE_TEMPERATURE 230C CH:WASHING_BUFFER Ethyl Acetate CH:SAMPLE_LOOP_SIZE 30 m length x 0.25 mm internal diameter CH:RANDOMIZATION_ORDER Excel generated #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:ACQUISITION_PARAMETERS_FILE Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf AN:SOFTWARE_VERSION ChromaTOF AN:PROCESSING_PARAMETERS_FILE Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf AN:DETECTOR_TYPE TOF AN:DATA_FORMAT .peg, .txt, .cdf #MS MS:INSTRUMENT_NAME Leco GC-TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:ION_SOURCE_TEMPERATURE 250°C MS:IONIZATION_ENERGY 70eV MS:MASS_ACCURACY Nominal MS:SOURCE_TEMPERATURE 250°C MS:SCANNING_RANGE 80-500 Da MS:MS_COMMENTS GC-TOFMS #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START metabolite_name NoCellCultureMedia(MediaBlank) QCPellet020414 S17A S17B S17C S17D S17E S17E_QC S17F S17G S19A S19B S19C S19D S19E S19F S19G S20A S20B S20C S20D S20E S20F S20G S23A S23B S23C S23F S23G S24A S24B S24C S24D S24E S24F S24G S25A S25B S25C S25D S25E S25F S25G S26A S26B S26C S26D S26E S26F S26G S29B S29C S29D S29E S29F S29G S30A S30B S30C S30D S30E S30F S30G S31A S31B S31C S31D S31E S31F S31G S32A S32B S32C S32D S32E S32F S32G S33B S33C S33D S33E S33F S33G S34A S34B S34C S34D S34E S34F S34G S35A S35B S35D S35E S35F S35G Factors Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:4 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:4 hours Treatment:NA | Time Point:NA Treatment:NA | Time Point:NA Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:4 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:4 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:Media from Human Adipocytes and SKOV3ip1 OvCa Cells Co-Cultured | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours Treatment:Media from Human Adipocytes Culturing Only | Time Point:18 hours Treatment:Media from SKOV3ip1 OvCa Cells Culturing Only | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the ABSENCE of human adipocytes (Control) | Time Point:18 hours Treatment:SKOV3ip1 OvCa cells grown in the PRESENCE of Human Adipocytes (Co-Culture) | Time Point:18 hours Treatment:Human Adipocytes grown in the ABSENCE of SKOV3ip1 OvCa Cells (Control) | Time Point:18 hours Treatment:Human Adipocytes grown in the PRESENCE of SKOV3ip1 OvCa cells (Co-Culture) | Time Point:18 hours 10_oxoproline 655331.3333 100941 675276 665188 819357 877412 1217411 771361 620677 379716 754869 789383 669927 747795 840474 75234 153594 981247 717345 724618 809866 934420 446129 287702 836175 697396 705301 508189 525140 791090 728980 793642 910235 828664 696057 618896 696582 781504 541441 1075550 973302 226262 132056 583074 445700 502143 762774 1098515 579044 301251 509744 525530 610728 669592 321389 471000 772390 617496 615507 728242 651104 90481 98561 750768 589123 588647 749088 712524 387534 530019 776341 567584 545779 538541 608787 143467 44350 607119 632557 689179 670445 291534 109667 766383 568149 601391 679647 689491 187222 102768 719787 538849 774096 673913 134068 45141 100_tocopherol alpha- 23594 23642 14104 12955 18238 22845 11208 10703 16322 21436 5864 6301 9600 9312 100875_glycerol-3-galactoside 4743 472 148 95 133 78 1268 213 132 81 62 12689 216 1864 1069 361 385 96 232 271 87 195 1334 135 81 3401 262 119 69 84 887 3694 73 147 102121_lactobionic acid 175.6666667 49 148 214 161 48 191 120 145 166 153 98 64 160 200 76 92 92 88 102661_erythrose 130.6666667 83 62 206 186 67 137 138 132 148 93 134 173 178 120 140 137 151 181 102808_isomaltose 244 276 242 279 210 248 325 193 105 295 295 213 363 324 230 254 102845_digalacturonic acid 94.33333333 99 45 63 243 472 82 72 124 103 98 159 75 115 213 633 79 99 92 60 61 53 204 100 95 125 52 70 98 114 136 203 94 98 103827_phosphogluconic acid 883 802 864 391 659 670 848 851 577 991 843 805 921 1034 161 1169 11_palmitic acid 13203.33333 13832 22282 20365 16484 22118 14762 25408 26195 18622 24125 21586 19717 13192 15733 18534 35287 32750 29585 15464 16090 19547 26345 32845 22777 19671 22218 16095.5 18696 11517 16580 12273 13455 11236 8827 17783 8735 15602 19736 12941 8191 7921 15662 18465 13455 18418 10970 36594 12876 11687 13868 12998 13660 20842 16497 7378 9336 15087 10968 11924 11723 7566 11727 10915 16611 11906 12292 9175 7961 14862 21284 15089 11958 9271 8497 11214_saccharic acid 104 310 312 239 283 235 306 214 294 229 342 422 378 377 310 112 253 225 273 168 238 225 313 243 76 198 30 205 12_lysine 143676.2222 34996 238969 237525 276336 171154 276601 236463 291834 192798 266505 240973 218148 162870 179210 33061 72972 311952 229438 217438 159083 165074 209304 132241 261014 273065 262917 244621 232074 257153 233219 195656 283107 173060 325623 307217 254350 295432 213792 239877 183918 109905 72658 236100 181852 198658 168185 254371 246299 176697 142718 186701 153230 207825 132947 201705 195720 145527 143811 176311 118095 26619 27395 185149 154992 154866 139446 124464 149557 220179 218239 135935 141391 122554 136920 42533 11506 151895 164848 179742 172465 97956 34019 210129 137656 147499 157143 143987 67130 34044 196592 137826 216694 141602 47680 13288 12266_sulfuric acid 3254 2473 4414 3684 3470 4541 2698 3448 5688 5839 2244 6120 1945 9639 4740 2346 1894 7565 8592 3319 5611 5198 12267_isocitric acid 294 266 72 98 123 106 126 248 268 207 113 205 150 90 125_adipic acid 338 256 345 193 184 238 349 210 190 216 176 133 120 144 168 127_myristic acid 3336.666667 5957 6964 7411 6886 5410 3502 8055 8130 3934 4744 7155 6265 2537 3351 4350 7346 9724 8980 3897 3480 6695 8883 7701 4324 6724 7193 4131.5 4008 2929 4321 5774 6219 3330 3400 4815 2468 4020 6027 5589 2364 2320 5279 6271 3951 5102 5576 22171 5559 3430 3570 3587 5580 6525 6814 2261 2469 3867 4582 5455 3596 2591 3008 3672 4180 5140 5449 2813 2307 4091 6328 6206 5388 2653 2280 13_stearic acid 118422 106078 178884 155423 128200 196149 118523 203049 207324 135297 174308 166899 163576 77944 90392 124922 250114 288950 248915 97030 98865 169384 197909 245073 176144 163478 168890 114035.5 117882 103886 167289 98155 110644 80829 63494 175532 78016 147802 116946 94782 62518 64746 138063 176363 119411 128499 81164 182703 102960 91642 133501 120145 117146 137327 102360 62367 74755 144379 84597 90631 90859 54094 102317 93685 163268 100589 104454 68076 57460 124538 223454 122834 80076 67092 61104 1373_cellobiose 12488 30133 23231 34284 23347 19111 22850 18748 12773 17772 28326 27936 20821 22379 29548 21054 1391_malic acid 85.33333333 410 142 141 275 35173 31779 28765 554 990 128 414 204 29731 27838 110 171 140 307 305 16203 18457 343 1124 163 219 415 822 2006 171 214 534 12464 17572 1210 3496 131 284 248 26924 18134 149 74 188 166 257 20142 18980 729.5 1051 685 2319 24878 20028 594 6832 104 504 528 18860 24025 99 395 82 380 495 26036 23326 439 3334 129 749 854 15701 17324 145 112 507 730 23512 23569 263 502 71 583 574 16517 16204 195 277 99 371 19734 29406 200 101 14_tryptophan 26830.88889 448 36131 28164 34752 45519 64111 60648 41619 24570 42375 28860 28854 37438 45624 3922 11149 50832 26652 25574 41476 40994 27676 15636 41775 27283 34182 31911 30441 33818 24799 35967 59798 46120 41916 35856 32997 31986 24584 51530 55411 14745 8793 32251 18143 22350 46539 58834 35783.5 18211 10708 20251 40920 53897 21923 22857 27983 3352 5651 40692 35410 3265 970 40217 16554 18421 37575 36131 28788 27596 32833 978 3526 37944 46741 6647 202 11851 15514 44704 46803 16436 2658 34930 12025 16548 49422 43471 9701 3175 34586 13717 55560 40760 6748 1201 146_asparagine 1348 977 1680 1604 2052 7087 9960 7275 3621 2648 1675 1324 1444 7857 9748 448 844 2506 1119 1599 7547 7878 2436 1275 1827 1565 1626 3038 2431 2520 721 2345 9612 8823 4550 3807 2393 1991 1212 13710 15211 1305 760 2072 1004 1102 8383 10766 4348.5 1746 337 1186 6069 6311 1633 3067 1156 250 249 6507 5440 345 343 2209 594 709 5595 5165 1875 2023 1229 197 251 3994 5364 491 277 319 401 8019 6460 1557 278 1055 185 314 7654 6095 643 273 1638 427 6259 6355 361 299 14705_lactic acid 768 44562 283725 296451 72600 102231 13562 300949 306254 10410 186144 55659 250645 297106 90703 212568 20170 322030 329698 15334 119427 264674 317331 37436 205640 17325 270063 312618 21083 205915 16740 253940 15727 79987 14728_lauric acid 590.6666667 2798 5033 2572 1749 4391 1721 1159 3041 1454 8291 1703 4303 2456 1769 1218 1932 656 609 5593 2895 682 661 735 3815 4698 1110 829 889 4381 3871 686 862 744 3933 5055 690 760 4544 3984 765 863 802 2135 4839 683 794 4263 4008 14755_fumaric acid 98.66666667 959 19233 15768 13159 17884 16770 10641 11504 6302 11486 17673 15353 13237 10431 431 710 1206 14483 13462 363 3674 164 497 522 9861 15604 87 203 111 373 424 16117 17762 286 1708 127 713 718 7200 10672 148 118 468 618 14165 13978 285 368 79 477 440 11171 12345 110 135 90 406 10783 19688 84 150 148_beta-alanine 106.3333333 314 4243 3195 2758 104 97 2652 2699 90 112 2920 2396 108 149 187 251 2306 2968 258 192 4510 3630 137 77 3161 4217 133.5 164 262 201 2291 1719 107 368 153 189 182 2378 2151 116 94 96 162 187 2225 1933 95 237 69 257 256 1506 2050 80 177 91 198 2651 2360 103 104 160 207 198 2594 2144 85 50 87 124 2833 2350 57 92 14815_uridine 599 1042 1083 1010 837 808 585 857 1124 1148 721 1196 15_isoleucine 257452 103919 351039 324819 369532 305178 447356 365149 250164 163022 414076 365230 309353 282017 336704 39337 82666 482385 337814 310218 294384 287083 215181 130984 413723 348241 344230 227776 231192 379518 314383 355678 432971 330327 288169 265304 362884 411736 295089 369306 387429 118980 76862 321245 238050 250203 285403 437655 271882 148060 171662 195440 263225 330420 130842 224032 274230 180430 177380 304468 261737 39850 38158 308787 196899 206887 254807 229506 212665 270701 294138 159310 158679 233064 273937 59140 17108 185474 198821 311048 319754 138204 42179 284129 163150 197751 314629 279952 89359 45284 274633 187377 370032 262525 67644 20086 150_histidine 13646 48071 72285 74523 47790 56020 40764 47579 69394 52274 74318 63720 37078 72048 47907 60899 73760 38943 62004 57749 56069 6536 7431 44260 44845 43046 63936 43337 41759 12237 2447 69850 68368 30057 2688 66586 60450 16456 8205 71226 58415 10299 3130 16_tyrosine 144111.3333 60220 180593 168365 207986 191663 285431 255233 186445 119129 202208 181586 165224 179398 199367 21210 44173 248345 171100 159112 172437 187156 129932 83089 200184 177187 189762 146638 156828 184665 165838 203493 260280 196920 205412 196507 192180 213801 141724 300528 254552 64652 43192 163581 118305 131920 199764 275832 175228.5 99118 119551 158993 172771 235235 99277 164915 186224 119216 123375 198470 167950 18179 18932 195467 132117 134293 165140 155391 116888 178117 187619 109215 113475 156356 176520 29623 7497 125712 143809 205629 212397 79781 23657 196412 119157 130039 200937 179074 46353 22986 184058 120855 244889 174567 33125 8876 161_succinic acid 504 498 839 721 907 8327 11617 10349 692 669 937 801 806 6962 6751 171 274 949 821 642 4314 3702 583 508 860 705 1060 631 388 1132 782 1381 4089 1754 1251 730 961 310 327 6150 9793 325 187 866 195 625 6824 9286 502 333 953 3647 4746 5548 454 1147 437 668 1364 7265 6882 123 223 708 642 731 7891 5319 287 537 468 683 1036 5825 5662 112 182 679 1889 7393 7052 305 385 187 645 721 7755 6391 153 247 107 371 8689 7151 150 165 162_sorbitol 5792 24936 29672 26084 15190 16907 15993 15586 19306 20096 28014 24813 22943 24221 13247 14573 12747 14963 13286 11489 10368 12575 15497 14198 10203 7277 18974 20787 16321_p-cresol 66273 65069 36733 43757 72749 69804 45918 42516 69955 72329 47093 44494 36483 39651 67392 70456 36875 45556 66334 67119 39375 45089 72242 67343 54543 40562 75822 77973 84379 83681 76960 73965 81191 84500 81166 82937 79777 83886 78751 84249 165_linoleic acid 517 394 479 588 162 200 264 176 320 254 1372 665 146.5 152 187 181 195 52 9453 1217 1489 132 92 59 220 182 205 200 16601_cellobiose 21429 38533 27988 28693 33954 25807 39473 26883 28262 33053 23807 29556 1662_ribose 168.5555556 433 192 100 223 143 331 448 415 299 211 150 174 269 532 95 80 236 109 230 565 112 215 166 233 157 350 274 372 410 176 372 482 438 192 542 131 193 148 702 394 128 271 236 107 106 710 131 230 200 100 201 427 489 383 1042 227 97 134 451 476 63 124 275 41 88 350 283 167 291 75 184 219 386 397 78 71 114 210 605 407 202 123 220 114 258 547 404 50 80 143 113 506 629 64 92 1663_hypoxanthine 1495 2943 16631 19624 20270 2207 364 10936 9724 107 443 3638 5378 1135 164 1471 249 7549 7198 2174 700 9535 7371 726 133 6365 13876 1499 271 89 83 16304 23056 1145 899 667 118 76 16261 15251 181 96 2467 95 152 14679 10181 1151 402 1391 91 78 11094 16288 264 64 90 139 13303 15417 772 149 1879 92 94 17300 21390 402 90 1907 69 23983 19551 270 133 1664_uracil 82 432 401 558 289 83 87 2509 566 128 146 483 2983 129 261 85 169 1211 617 111 105 2155 2127 79 167 498 27 76 188 153 160 407 223 99 165 128 829 1650 62 186 140 1070 307 101 164 167 1009 1550 259 202 515 469 78 195 227 2072 1529 94 120 1638 1677 16668_galactose 7811 407747 142751 541012 319669 222601 106548 359821 251019 277341 155351 267884 460888 601578 336265 509405 1667_3-phosphoglycerate 397 2102 3756 4148 1391 1059 1593 1851 75 108 1190 83 119 315 257 649 2309 814 703 1577 2185 2277 86 159 849 2246 425 362 938 361 394 656 81 125 120 108 236 769 74 520 404 583 121 77 257 869 130 153 897 888 121 120 1074 718 72 84 1669_xanthine 148 416 398 360 335 293 144 262 248 260 466 290 209 345 504 683 396 477 451 368 394 480 361 430 612 529 743 447 16713_1-hexadecanol 2177 397 536 176 448 387 466 464 493 501 572 746 347 471 160 494 277 294 577 461 353 125 184 326 170 416 586 563 466 361 282 531 502 248 216 511 382 206 229 498 354 164 87 1677_oleic acid 4265 3507 3615 2040 3363 1952 1606 1810 1574 1182 1507 1527 1662 2888 6318 3678 1390 1431 4886 4396 1729 2314 2544 2250 1263 626 1163 1665 1760 2164 202 376 2266 1917 201 125 1459 1000 29697 4246 1555 2505 6887 346 1365 2230 215 160 1786 1136 3842 72 2099 2692 158 116 1678_methionine sulfoxide 2972.444444 986 4665 3405 3289 3989 3877 3386 1998 1347 4804 3420 2725 1806 1710 363 487 6161 2866 2377 2925 2403 1509 1051 5737 2291 2867 1409 1843 4786 3585 3445 3595 2823 2517 2503 2660 2796 2302 6095 4907 1026 1049 2712 2151 2966 1859 3537 2988 1289 2690 5178 1960 3850 1040 1394 5560 3190 3468 2589 2568 420 424 6866 5800 5847 2488 2260 1294 1908 7267 1895 1957 1716 2056 686 207 3548 3045 2253 2181 881 459 6122 2939 2778 3144 2359 592 395 5801 4008 3330 2218 549 338 16782_3,6-anhydro-D-glucose 882.6666667 527 326 479 408 369 318 583 405 332 548 297 444 474 474 346 453 619 736 368 662 457 1679_isothreonic acid 697.7777778 119 336 293 164 421 448 353 186 140 269 265 241 392 665 44 124 410 415 275 311 311 115 194 409 394 336 157 208 454 337 301 394 427 180 286 276 222 156 618 630 52 91 230 175 134 371 475 78 103 203 152 455 420 600 376 319 542 599 990 373 275 539 418 636 233 290 421 373 284 196 703 616 585 190 209 541 540 382 277 737 573 1680_pentadecanoic acid 20891 9635 4285 2287 1646 3046 11685 4378 810 9582 1406 5355 1669 4117 919 16823_enolpyruvate NIST 134 113 134 397 80 131 254 772 104 180 52 154 371 569 140 454 16826_citramalic acid 720.2222222 278 195 234 367 257 167 300 272 300 336 167 221 255 147 179 232 114 119 180 146 141 147 123 193 101 128 185 133 129 168 125 95 135 187 186 137 135 220 55 1687_glycerol-alpha-phosphate 94 5072 23141 21393 15629 5030 4058 7321 7141 130 170 6766 7165 1932 4642 2891 3819 9263 9563 6245 10325 20018 20277 355 109 6349 13831 13168.5 10167 72 280 7210 17427 11906 18782 130 62 155 8448 8251 687 958 141 71 179 9666 11813 8248 16965 63 90 159 7243 8156 743 149 98 143 7546 7041 4410 1054 115 85 111 6179 6736 2209 768 96 81 8173 7602 772 272 16890_phenylethylamine 95 316 168 465 180 225 161 131 163 271 296 196 186 113 290 184 247 248 292 182 237 209 310 165 381 245 354 311 169_xylose 298.6666667 230 291 487 273 262 316 258 754 571 191 295 255 349 237 256 332 333 206 1692_thymine 292 123 366 322 224 832 876 279 331 231 257 473 395 369 234 210 473 499 265 172 278 203 315 144 570 721 285 266 179 653 377 243 299 209 787 550 134 149 156 205 268 232 194 120 125 182 120 209 394 177 1693_glycerol-3-galactoside 635 1403 1407 1170 1170 1160 1352 1202 1043 1073 1695 1724 1470 1321 677 464 854 777 783 438 716 847 1368 881 1180 783 1405 1024 16942_guanidinosuccinate 125 170 123 274 171 208 295 275 240 176 161 161 284 249 258 193 16968_azelaic acid 125 335 185 140 84 92 104 123 110 33 173 57 80 101 108 146 94 277 228 146 145 93 129 126 169 145 117 107 50 56 161 48 144 183 54 97 198 253 163 129 166 226 114 118 1698_5-aminovaleric acid 383 3921 3539 3997 2397 2525 2370 2102 2977 2593 5075 4554 3646 3300 1252 1113 2164 2060 2349 435 1519 1451 2096 1495 1893 1159 2158 1847 1712_citrulline 8148.222222 8535 13630 14407 10756 3475 3628 4182 7072 5350 18501 21545 18303 2021 2669 4340 7614 14245 10746 6862 2694 2281 8585 5823 15044 15650 22944 5863 5824 7776 11823 11313 4458 2471 5572 5229 12208 19974 9014 2401 3137 6093 14871 10631 12482 10972 3030 2434 3570.5 4007 2092 2281 3486 3573 2024 2471 7939 3178 2960 3151 1940 1350 1202 3000 1868 8527 3049 2868 2837 2955 10084 3579 4098 7702 2646 1682 1005 3048 3133 3134 4504 2625 1473 4845 2276 3139 3522 2617 2115 1339 2875 2006 9182 1947 1804 838 1714_spermidine 419 921 3210 2783 1326 569 1297 1662 93 154 1683 1348 800 431 794 577 2485 916 2042 1329 1074 1252 230 153 696 1697 1174 353 1012 2015 321 422 1330 666 113 111 1464 987 852 1533 412 853 118 92 1104 1153 261 95 1076 656 275 173 2716 926 94 121 1718_fumaric acid 167 194 122 100 91 144 93 326 335 775 90 151 255 164 172_threonic acid 551 418 98 83 257 319 152 165 621 609 135 94 722 349 106 86 107 71 85 162 84 96 104 127 113 94 97 110 1723_phosphoethanolamine 358 447 490 321 246 205 253 274 314 623 178 797 1726_adenosine-5-monophosphate 66738 50243 56862 75791 5688 4263 49074 46205 117 138 59751 42314 297 1131 1849 1564 41166 48168 4313 4335 36442 64344 152 100 50022 59221 4970.5 1918 62335 50485 2257 4972 62394 64028 236 312 59473 51787 2131 3088 59925 66096 236 119 65035 52715 1252 379 87461 63981 279 344 56168 57453 388 150 1727_glutaric acid 102 80 108 77 72 79 86 77 43 91 66 167 54 34 114 65 72 97 69 101 98 164 32 35 121 95 87 156 87 91 1728_inosine 600 188 110 70 159 123 250 123 974 910 138 131 1563 247 173_sucrose 93.66666667 73 126 57 79 93 25 99 123 163 147 66 358 93 78 109 110 67 104 77 72 58 23 106 101 76 111 91 92 66 168 41 85 147 113 123 90 96 84 76 111 31 118 67 97 71 96 1738_cytidine-5-monophosphate 10403 13776 21827 19079 28228 38343 14983 14536 12863 36529 8224 10887 1741_myo-inositol 26979.22222 31232 30498 35019 123393 82791 34548 29301 27093 4095 12120 45166 26117 26948 75845 72732 35884 24883 30013 62076 61308 33733 25043 34762 176069 166516 32360 30563 23741 19898 10864 31263 18945 22824 114998.5 70995 12571 34684 39065 82445 28742 9476 12650 6208 6449 33420 10449 21644 64756 78029 29527 7570 8843 11634 1763 10273 13695 39082 10983 30766 7415 12696 20171 10545 27134 13075 10503 2591 1741_myo-inositol** 225992 214280 219423 200534 213450 214633 213653 216783 226414 220468 218210 208151 220619 218075 213422 213278 1743_maleimide 691 815 897 748 811 885 649 778 1144 1068 890 917 1749_nicotinamide 2229.333333 7285 3032 2117 2899 5647 5984 7505 3154 2747 2373 4887 4720 3622 2335 1946 4294 4788 3179 2067 2349 2753 2454 2702 4596 4886 2958 2469 1946 8000 5780 2722 1304 1559 4400 6549 3470 352 541 7170 8387 2671 4057 2159 447 732 6115 7406 315 309 2785 900 1088 8541 7122 2450 3427 2340 257 317 6021 7600 579 94 423 650 8047 7547 1324 341 2369 665 812 10356 9679 767 427 2383 691 10337 9976 642 130 1764_adenine 3328 2923 2394 2402 3095 2690 2152 2766 2287 3473 2828 2824 2879 2346 1888 1384 1481 2207 2122 1744 1028 1712 1965 1786 2747 2328 2584 2695 1784_uridine-5-monophosphate 6956 10521 369 6464 3956 243 542 3847 7945 98 70 4378 2140 213 513 10707 5668 65 61 8138 5942 100 95 9526 2442 98 104 7722 5819 94 98 17947_3-hydroxybutanoic acid 449 724 2482 92 157 128 509 276 61 45 176 125 132 163 156 17973_alpha-aminoadipic acid 3941 2341 245 282 1104 1170 3894 3228 4047 3806 642 296 2547 1026 17982_cerotinic acid 139.6666667 109 61 98 113 89 123 67 111 139 85 82 85 99 91 85 119 103 85 18_glutamine 393459 6251 538400 417575 481748 583393 722988 542285 979656 582299 563626 410149 387242 360002 497614 69411 166375 701762 360103 330301 421949 459555 488104 254143 612503 361356 420377 620409 414706 538655 336611 478437 680314 549119 963330 660343 532491 476798 362510 887931 687715 275146 133971 560285 324603 335351 483844 741648 535047.5 338523 53429 202013 264451 322199 357097 363316 376515 52028 62159 320289 282302 66954 17906 386930 127260 145815 267742 289083 340559 300139 374064 14853 25727 290782 304385 107193 3637 73663 94395 313725 297815 282511 32683 372270 48232 72844 358637 303126 152242 24775 369351 121204 435067 274763 114690 16000 18043_2,3-dihydroxypyridine 133 47 92 129 41 180 102 164 123 64 166 125 1810_thymidine-5-phosphate 202 187 134 175 230 155 180 232 147 133 133 194 18145_galactinol 752.3333333 100 108 226 136 174 1798 112 272 115 137 92 93 316 501 129 191 137 663 18145_galactinol 1 1931 2408 1693 1740 2070 1600 1904 1907 2213 2409 2278 2067 18159_galactinol 237 342 294 172 176 199 272 192 146 178 293 290 291 164 234 267 1821_ornithine 10446.55556 13634 17997 18103 7385 12294 19130 12253 18585 21943 15901 14374 20581 2744 4471 29485 23309 18988 10948 16070 13923 13038 22492 19604 25792 11359 25966 15262 20358 27014 28709 10356 19145 29893 17411 23725 21982 13606 15536 5675 8670 19097 21445 20404 14566 8335 13210 16834 17067 43806 9930 52746 10857 18070 18805 863 3113 9236 16821 20377 6737 27638 11586 17761 21567 1193 1744 18230 23446 3619 4786 9403 16975 24675 2932 5258 7973 12576 1298 1510 18496_glycyl proline 124.8333333 359 196 957 399 597 2062 95 3021 444 553 1806 107 4462 1085 1828 1346 68 7085 996 4892 10779 102 21945 9156 13956 1552 128 8543 569 1940 4588 116 7860 5187 4288 18607_hexose-6-phosphate 311 326 77 162 612 227 189 217 401 513 66 67 419 209 178 346 79 100 117 151 114 68 248 88 88 63 89 100 19_cholesterol 289291 16611 19215 72157 24034 24457 46700 36189 27569 24822 43383 22623 24855 48926 17342 18444 28982 25527 14860 29275 17520 57315 16694 20510 16047 17015 24796 21311 230991 214664 216843 160758 217534 200157 148671 190861 171451 195862 243376 227368 163845 198312 1966_guanosine 32 112 47 94 82 73 89 73 118 98 217 129 113 170 234 75 108 121 139 197 51 134 59 84 93 126 143 168 283 77 1971_glycolic acid 192.3333333 462 237 244 202 163 243 54 143 269 236 225 156 187 316 73 226 188 173 347 301 203 405 124 207 226 251 149 263 361 272 247 275 199 194 308 328 266 219 163 338 471 201 328 241 232 239 331 121 212 234 328 208 294 323 270 373 188 131 297 358 265 309 1979_maltose 853.5555556 1230 957 1119 248 1227 827 694 835 885 914 76 913 317 288 1306 1006 1027 605 538 586 511 1481 754 1057 743 910 884 952 1272 231 591 1029 1023 957 999 851 2837 571 417 319 1008 926 1014 460 1723 1041.5 508 440 555 300 529 575 391 474 168 871 668 477 419 529 451 487 420 49 378 331 356 495 215 226 469 915 384 355 305 711 878 527 3370 2_alanine 26104.55556 92872 65104 90161 122834 217997 60202 105806 91577 94518 140382 152710 72341 134847 181841 151212 105512 252727 55437 172274 169976 103657 97450 147069 182985 190355 286309 217625 176089 140458 552522 44416 176612 184534 208018 207621 14469 60311 110432 122204 212994 197434 170063 146174 366141 45261 203830 194658 241559 236338 21516 32228 143125 205373 257052 243798 73385 70302 68201 123557 161357 248902 192177 44473 63786 41005 119848 235436 215034 20757 24820 2000_2-hydroxyglutaric acid 95 254 288 163 171 427 189 369 250 121 362 347 246 391 102 175 318 98 122 196 229 70 125 312 409 80 156 205 160 79 91 324 261 153 90 316 292 116 106 236 328 92 139 2047_butyrolactam NIST 242 353 312 408 365 320 361 394 276 391 212 309 289 329 377 358 2070_1-monopalmitin 215 188 217 182 235 247 217 208 168 176 311 218 234 250.5 185 116 176 354 329 249 169 154 149 268 108 152 163 369 294 140 153 143 267 214 130 180 198 175 255 211 165 88 306 130 231 201 214 208_2-ketoisocaproic acid 1040.888889 1693 1779 8680 9285 2061 2998 1989 1703 3289 2216 8512 7879 1626 2253 866 405 1658 10865 10148 2437 1616 1133 3201 1618 13127 13738 1436 7505 3643 13148 14115 1332 2978 3583 8951 1724 14215 9561 2015 2959 484 1743 2139 8137 7745 2225 3677 2171.5 3205 11462 3592 1425 1387 1879 6997 914 10291 8414 1784 1734 342 1894 943 8472 5467 1305 1057 891 7060 1709 12420 11187 856 1579 519 1049 10527 9557 1658 1920 1862 1855 1193 11503 8069 1489 1033 513 1786 630 9604 1750 1645 391 889 2080_2-monopalmitin 2279 3314 86 425 91 124 3582 3158 230 270 215 150 142 227 347 117 123 3401 3238 21_fructose 91133.33333 460 53587 3302 2396 410 389 1710 2094 1810 4309 2703 4450 621 647 3256.5 1943 14172 3444 19304 14631 472 4420 98316 18649 18300 20767 23488 348 805 97858 41152 13285 23394 13828 607 3164 111409 10364 9095 12199 15767 442 409 27164 16412 26399 17909 387 920 102277 15292 9751 14584 9844 364 362 102686 33266 28184 25194 313 272 21703_putrescine 236.6666667 512 148 190 23767 48272 1231 130 274 25123 33888 1177 202 292 25606 26475 959 169 823 1673 180 1948 43687 23666 1028 458 905 13978 25737 1234 346 724 9816 15226 21821_5'-deoxy-5'-methylthioadenosine 290 1472 2153 2333 882 1111 1454 1019 1608 1227 990 1088 1047 1585 312 259 352 280 326 249 169 336 361 345 348 354 376 235 2186_cytosin 250 258 236 204 233 332 267 223 222 241 172 174 22_glucose 503463.8889 2802 391973 486458 391994 319855 600022 326423 520462 779943 398349 374587 291903 380668 481942 126093 307734 515661 368269 697460 602077 408171 837464 643085 397220 385746 462633 469003 833505 393738 353647 404631 612181 517279 701588 911094 638160 546302 660105 375767 564792 654583 252530 392123 740061 629014 396530 627919 625755.5 820161 184746 198677 239381 465226 164936 201115 229289 156881 193442 223093 217270 107224 61936 579118 98320 326674 276208 370369 304815 234530 173513 169088 202954 243533 283378 190907 18821 72536 275366 241416 314141 219145 64454 257134 170978 254297 558926 515748 183994 67858 228075 250782 290998 494329 151847 33391 2226_succinate semialdehyde 389.7777778 799 656 682 199 158 182 1030 1031 658 440 428 561 323 85 301 458 1118 1050 941 772 688 233 315 142 291 321 115 213 243 151 204 252 240 351 304 312 276 199 228 22329_urea 500 1611 1509 714 886 532 670 536 395 308 361 600 381 431 834 378 2254_2,5-dihydroxypyrazine NIST 6106 41493 53474 33519 1957 1699 43812 51393 68 107 60050 52176 745 589 785 1528 46794 38849 2659 5007 62011 112101 139 119 53484 44675 2184.5 1069 31070 39102 937 2658 25793 30857 91 238 47312 34796 687 1950 14513 25765 98 101 24071 27251 374 172 37461 40931 182 216 32702 40594 103 80 23042_squalene 219 206 368 148 238 190 352 197 405 235 276 276 180 226 290 275 1009 495 254 861 770 8439 195 100 281 277 132 574 322 525 130 2571 2084 231_xylose 84 57 49 78 131 62 51 81 69 120 101 83 76 94 83 233_lyxitol 183 996 1178 704 776 1030 223 793 733 1174 1233 1189 937 1222 345 682 432 443 451 779 298 392 177 555 432 460 500 766 24347_myo-inositol 697793 167735 431058 512475 181876 434532 153428 182048 347433 776028 744841 537194 25_serine 74312.22222 16226 89001 65627 72974 104289 129924 121117 91632 46361 94572 62981 62467 80170 93574 6025 21084 117290 47908 48332 73070 74075 52613 23033 102294 55166 63812 71079 48732 94738 51671 76406 113798 103831 92623 65037 88013 66313 52970 126481 119603 32294 13630 86545 45115 49856 82541 125414 81376 31741 1935 13292 84000 111749 51870 21421 78170 1926 6041 96326 81849 10049 721 89704 12864 22910 79425 77147 54511 33460 80989 1720 1858 69565 80967 16966 252 4756 4770 85937 98266 37283 1341 83924 3476 7592 88635 76946 23487 1612 78210 8303 106530 81973 15906 1162 2546_UDP-N-acetylglucosamine 227 184 128 224 163 128 234 181 264 255 244 175 184 151 199 255_hexitol 1201.888889 20285 1600 1545 1372 56954 55886 51391 6371 4571 635 630 512 44953 47382 113 88 2629 1119 1332 47141 40810 2779 3981 1353 1636 1364 1633 653 1778 1401 1318 42615 45391 6631 6248 1703 1764 1367 66153 55147 449 456 1734 1448 1564 51429 49688 3801.5 2028 732 1654 30885 30769 1843 3824 2506 1256 1249 26906 25765 283 411 1966 720 699 25540 19351 521 2074 1948 898 992 25823 27957 286 134 759 908 29813 25523 1755 381 1536 995 716 33053 24720 508 279 1994 746 28392 25328 408 114 25922_2-hydroxyvaleric acid 371 283 403 464 191 330 586 711 2222 585 1088 275 176 4330 327 261 4424 210 367 173 149 281 219 1268 1519 1654 2059 388 592 123 1443 26_threonine 100471.1111 59495 119717 122521 140672 138066 190184 156046 121513 82146 134725 133873 121162 104200 134871 12499 30213 157255 127179 119671 114816 124752 78673 57119 138821 128204 133086 91889 96985 131633 118406 139974 168949 149043 123303 117571 115502 151860 110159 189669 183608 46612 29162 116880 93952 102790 125903 192646 117089.5 67078 77023 90540 106746 125691 60418 111964 101965 76874 75516 120910 101806 12357 13751 111877 84175 80498 101567 90430 68266 111032 106704 70648 74958 101846 120386 20476 5379 80171 85048 122894 130031 51050 17953 104871 78289 80695 143713 113127 29817 16377 99106 74938 147104 107033 20826 5989 26754_cytidine-5-monophosphate NIST 2093 1487 117 81 96 158 532 164 2266 2504 79 78 626 253 2787_cysteine-glycine 2733 61768 54598 68143 35465 21107 28501 28682 32179 49264 41194 18491 48053 51158 206 32331 28191 142 772 41012 44185 58 88 57674 38866 130 608 12014 32942 113 100 36338 25100 62 89 32329 43107 85 130 41425 45434 85 116 28_glutamic acid 3407.444444 4144 14185 19803 857850 910382 14847 23651 5545 16228 12816 1166575 1168959 4120 2437 5535 19473 14676 895287 817703 7857 23181 4600 19331 20527 8873 34571 2750 25430 23058 763447 850463 14421 48441 5309 20616 11798 900627 1134486 3520 7331 3896 6657 7650 854373 859892 23298 21895 52331 28435 11033 61521 3932 25935 23618 1441 9132 2348 38098 17692 6722 59269 3902 29430 25799 1354 3407 24662 25269 6021 9475 4073 20381 23532 5130 11236 5307 40183 1882 3488 28_glutamic acid** 47772 413017 401497 397468 404841 425531 422442 431866 390507 380621 431983 366495 409725 419226 401131 411550 281_putrescine 290.6666667 6837 46792 3634 2599 187 807 1792 2190 2821 1965 7134 6540 934 936 3293.5 2597 325 1664 23176 29169 3061 16534 544 180 244 20253 15862 267 223 3253 183 797 15820 16178 3228 6980 522 204 311 11511 19063 421 179 312 207 19167 23430 876 329 1827 192 458 16282 13544 671 413 531 146 53932 28925 269 83 282_propane-1,3-diol NIST 8167 552 751 453 681 804 1173 575 2022 501 3615 686 1076 466 665 5431 5074 622 1794 6143 5584 6300 709 758 5288 5110 5981 619 1510 6423 6657 9758 679 811 6765 5222 607 783 5581 10583 5086 535 824 4766 5836 692 542 2849_homoserine 354 1306 452 418 708 752 687 354 251 552 347 938 288_citric acid 1874.444444 436 2585 3378 4046 22793 33345 32863 20955 16319 2983 3840 3766 22297 27517 549 1613 3307 3908 3993 49881 43078 4601 5700 2732 3849 4176 6525 8957 2727 3459 4513 29028 20288 17785 16179 2362 5111 3619 33424 22985 1989 1523 1513 3085 3361 39842 38359 8236 5325 6422 5129 24081 23076 5604 15125 1655 5112 4802 17648 12090 704 1164 2388 4076 4741 14325 19777 4503 12442 1817 6531 6832 11980 13026 759 441 5038 5945 17878 20803 4271 1658 1810 4899 4738 17007 18196 1906 1102 1719 4039 17378 11526 1031 364 29_aconitic acid 165 223 220 214 422 363 374 163 299 309 266 317 290_adenosine 318 894 261 140 104 114 71 137 176 274 217 248 87 129 269 129 122 863 128 189 657 633 76 87 789 1077 170 148 530 1069 95 138 468 801 188 118 1135 1226 174 101 950 451 156 103 291_arachidic acid 1297.666667 1388 2553 2326 1662 4881 3124 2444 2837 1331 1755 2400 2476 924 1118 1659 3066 3881 3762 1446 1607 2565 2751 3189 2508 2130 2489 1432.5 1307 1051 1875 1467 1659 678 940 1775 719 1622 1565 1963 511 628 1786 2140 1234 1847 1316 1179 828 916 1454 1219 1749 1977 918 569 892 1542 1342 1510 979 361 1145 962 1567 2181 1666 676 505 1431 2695 2591 1355 640 526 294_alpha-ketoglutarate 95.33333333 105 202 164 569 1223 3387 2789 540 631 221 314 283 1644 2244 153 168 314 218 535 2367 2082 425 133 160 277 762 682 1871 321 223 1279 1969 1479 1227 2099 176 330 485 1880 900 140 149 438 287 667 1624 2302 882.5 944 355 209 1176 1787 464 2821 175 189 711 1059 550 115 326 186 230 298 614 539 110 2105 99 404 769 397 367 150 206 251 1179 1027 1413 461 249 182 301 412 461 443 191 190 223 202 1276 668 200 285 3_valine 235641.2222 93221 375718 320174 382797 263397 398736 306158 242689 162926 423628 369863 286666 242053 294368 41918 72558 494351 356214 321573 268509 252305 219661 131969 418602 380671 366799 215002 222397 414593 340588 397252 387480 306953 302617 296542 374093 435067 318604 309236 335757 107176 75057 337745 241262 238338 262150 383193 282410.5 148170 161223 206745 238011 280957 147679 271427 248035 165524 170840 253255 228474 45456 45147 253638 169329 201227 212782 209644 212584 262919 256453 154996 132889 213783 228824 61963 20177 159102 194201 272675 268494 144824 48116 252119 113713 182885 248480 240850 95918 51782 226496 176595 306536 230382 71468 25576 30_glycerol 2487.111111 35964 15179 9110 16425 41040 50012 41272 27000 29626 2906 10284 14601 42455 53970 4136 3242 7726 13154 15751 27388 18546 11530 20194 7339 11523 22771 15141 27777 18220 9600 36420 28571 44429 46594 67864 5708 16418 21040 43275 47723 9302 10057 5685 9775 12864 26310 37844 16978 20125 32579 88354 40288 35554 7146 28175 39179 41348 40903 41886 23824 61983 47461 47199 19805 39281 51222 35489 43195 24960 58908 40427 39690 11464 25006 35118 39747 39578 13314 22083 44974 41799 308_glucose-6-phosphate 992 914 1304 260 507 664 69 106 183 181 535 857 45 647 655 695 1495 1747 1292 2434 100 127 376 567 469 797 341 895 69 100 110 292 65 96 209 85 118 70 76 90 3084_alpha-d-galactose 148990.6667 35539 74149 83157 38222 69459 303371 35128 159954 48125 39816 40048 34462 134247 139947 35290 92023 58843 199352 3084_alpha-galactose 115360 56478 62123 39136 36118 161475 91169 54065 19172 37406 36741 37626 36820 42684 28346 31_creatinine 24723 26995 3487 3984 26762 24309 353 363 18133 22155 2363 2725 1234 845 17302 18960 4619 7101 30497 22067 528 498 25485 24123 5263.5 3041 2694 9184 205 313 2195 5303 335 227 2225 730 689 467 258 197 3101_epsilon-caprolactam 391.6666667 529 966 1890 733 815 1083 2025 904 4034 1905 1196 1811 2670 1113 3393 1581 246 250 729 783 505 532 270 867 855 454 523 324 157 1451 560 363 285 1099 923 175 661 900 371 463 163 373 603 1641 571 413 1242 773 31242_inosine 5'-monophosphate 3685 1339 5030 4879 1154 2392 478 8660 9532 1407 2668 3876 31356_pantothenic acid 514.7777778 184 677 645 715 2380 2711 2756 1336 838 483 673 617 1988 2346 168 132 387 515 645 1770 1874 711 446 640 692 54 777 741 656 710 566 2479 2400 1503 1187 743 909 572 2531 3218 291 291 399 562 601 2361 2580 1286 597 453 482 1273 1934 459 481 545 413 449 1454 1741 68 78 682 443 490 1876 2271 348 639 461 412 436 909 1109 133 141 429 240 1589 1836 392 65 625 362 523 1720 1766 245 105 557 398 1904 2123 96 116 31379_palmitoleic acid 84.33333333 88 91 90 66 89 95 54 100 1205 57 84 55 149 108 80 63 85 45 31569_fucose 731 1452 1614 956 997 858 1796 931 946 1126 825 1037 31632_xylulose 364 338 257 330 334 281 398 218 238 597 397 398 31632_xylulose NIST 205.6666667 173 382 92 163 168 377 296 117 301 171 172 137 201 223 77 100 167 147 111 326 203 113 129 250 225 124 188 209 86 61 165 156 453 237 188 95 206 121 33 390 45 72 95 218 137 359 303 93 89 3167_glucose-1-phosphate 1422 3869 2934 2762 491 342 2963 2411 80 98 2558 1863 464 274 162 203 2357 1879 206 264 1999 2204 293 179 3563 2461 276.5 249 3351 2386 152 176 4031 3517 114 81 4631 2944 274 184 2369 3385 111 123 3308 2785 130 91 3499 2866 192 104 4281 3552 122 122 3168_dehydroascorbic acid 104 141 77 112 274 98 83 109 150 70 149 83 75 76 3169_levoglucosan 362 1443 1126 478 1069 1247 1400 696 756 905 1281 985 1664 682 704 520 1071 899 1222 1153 797 922 1020 926 1163 1087 1068 788 31889_phenol 570 831 1814 420 1653 958 1726 441 1151 643 1714 513 1771 587 836 3191_glucoheptulose 1167.666667 547 283 226 334 871 1158 1322 332 142 453 430 400 339 372 70 70 683 414 439 587 195 243 144 320 414 326 151 214 140 410 887 965 605 361 361 162 1441 962 396 886 104 77 343 924 1155 662 330 413.5 254 307 718 506 1129 19 76 941 279 328 660 401 60 70 5668 324 878 534 455 315 234 549 273 338 405 618 189 103 248 383 480 603 168 96 1611 330 396 1039 724 101 105 734 594 843 504 86 144 3192_phytol 434 351 174 172 101 275 382 224 190 234 160 149 276 199 259 464 421 339 459 1007 254 180 618 590 517 628 493 275 32000_3-hydroxy-3-methylglutaric acid 167 210 176 172 226 169 173 164 192 350 229 164 3212_ethanolamine 3470 4745 4412 833 869 4268 4674 1054 652 1968 1085 1678 949 1342 728 3244_N-acetylmannosamine 146 91 83 82 126 58 168 83 220 262 80 135 213 81 3256_urea 570.6666667 920 1624 3949 1812 3530 602 1451 2812 694 432 2272 11858 1969 498 942 806 1441 1090 415 285 680 3073 476 1481 1269 1253 1225 515 340 3892 5873 214 318 33_phenylalanine 70594 33258 81595 81615 96433 92571 134781 126814 87758 60455 89535 87345 77100 88141 100036 10318 22761 111596 79717 85819 83616 89050 61213 44910 95052 84588 85423 69545 84600 94136 80371 94887 126389 96671 100924 93004 85058 98192 70936 134494 122022 36799 22147 81611 63340 71328 84281 131714 88812 53798 54465 75456 87621 118202 47579 79784 84966 57065 58303 100694 87489 8862 9316 93898 62026 65900 85789 82233 54866 81279 86345 51238 58300 76003 86774 15081 3204 58146 67854 102053 106811 37864 11330 90325 54939 64987 107468 91747 22563 12342 83367 56277 125743 91984 16071 4053 33981_tagatose 14662 9241 6781 4374 12322 5734 3822 13042 3708 1541 15110 5566 7605 10481 3620 1903 2712 3462 1927 2661 1734 1751 34004_sulfuric acid 97 372 128 112 91 459 107 274 355 240 102 179 73 561 114 69 90 110 93 77 89 71 75 101 128 122 69 95 116 64 100 66 51 34042_creatinine 1641 30035 12480 7674 35068 10247 34707 7636 12329 30056 16011 17205 15531 11588 13392 8902 34065_conduritol-beta-expoxide 5033 3714 95 247 2181 2292 725 900 5290 5687 512 162 2478 1438 34135_3-hydroxybutanoic acid 985.6666667 465 1779 1164 1097 1656 2328 918 1500 688 953 2703 2657 1133 2290 1725 747 1877 595 608 1662 781 34153_diglycerol 203.6666667 196 582 161 202 204 294 54 83 164 200 182 131 207 185 193 221 249 125 34178_alanine 205922 219076 71333 75380 214272 214762 11037 10292 143477 160983 50436 74316 55136 101525 157392 209371 138265 215985 226757 237587 15562 35357 201836 219884 112869 88952 36_benzoic acid 939.3333333 3253 3792 3955 3528 2891 3088 1741 2216 3446 2835 2471 2382 6053 8986 3655 4196 9316 6809 3845 4415 8080 6913 3879 4950 9107 5210 1088 1133 2548 4027 1351 1233 1268 2205 2024 1396 1104 1388 3673 3246 1758 1112 1426 2875 2953 849 1191 3236 2066 1261 921 1347 3153 2907 1182 1175 3621 2796 4_phosphate 778 71668 964 9313 7764 182455 174266 61648 25305 39115 1454 23939 23042 209233 127254 10947 4792 1309 25774 22166 177352 176320 12696 40267 1652 13564 18215 12871 43446 1269 5869 25044 146872 181995 23752 75043 800 34471 24217 149397 233910 3853 14050 1026 26035 27766 110680 189924 21519.5 55771 15499 20988 75410 51606 15211 36529 460 19176 18761 32765 35646 2413 6087 734 21930 24012 82385 57745 13013 42853 370 14635 16295 75575 77364 4806 2151 13091 17744 52883 39552 8151 8407 540 19501 24785 69870 65174 5937 8762 703 7981 52281 33218 3788 2191 4081_N-acetylaspartic acid 3483 28750 26723 25666 23135 23689 25071 21700 18141 18658 30501 32235 23132 23644 20831 12861 18980 16955 19186 13293 19174 20841 21453 17504 24796 16514 17726 16783 411_taurine 97 156 70 90 77 123 80 110 1045 314 113 51 1677.5 98 211 228 93 74 601 804 78 111 78 33 144 48 119 71 413_aminomalonate 307.2222222 1634 363 260 387 5936 7656 7223 2324 1510 392 274 257 5342 5937 185 326 627 291 282 4458 5824 1417 1096 322 343 284 1658 1456 505 311 511 7191 7481 2782 2860 313 376 201 15907 11557 483 517 368 282 208 6223 8399 2073.5 1192 217 158 7699 11337 258 1846 223 91 166 8970 7592 78 104 878 157 243 7308 8529 676 1496 273 139 105 6585 8928 113 117 158 239 8089 8629 378 188 333 165 234 10207 7988 232 106 236 162 7941 7918 142 138 415_lactamide 84.88888889 522 111 115 319 756 379 555 54 250 92 283 51 632 433 99 115 74 418 293 197 338 133 241 73 207 450 73 314 121 375 488 284 360 108 415 100 332 328 639 273 95 142 103 318 410 426 429 94.5 192 803 845 843 567 119 1569 87 353 661 620 780 91 112 119 415 592 1107 512 83 1131 82 582 747 613 758 63 147 586 737 880 733 116 303 107 714 537 638 534 127 197 92 477 774 773 79 148 41988_phosphoethanolamine 337 378 1154 1222 119 178 695 1027 1304 1438 4022 2177 212 105 2500 1514 437 699 515 423 381 348 240 52 487 592 1349 2241 266 483 2 108 263 398 239 178 334 379 199 102 348 296 243 121 42027_ribulose-5-phosphate 302 700 293 423 416 523 95 100 295 253 96 367 314 246 1095 536 480 795 622 808 93 128 283 518 525.5 545 152 267 80 89 123 204 51 87 209 101 65 89 108 85 4211_hydroxylamine 4195.666667 1965 2403 2268 1691 2864 3137 1803 2501 2321 2943 3454 2000 2970 2170 2165.5 2310 3433 3532 2224 1924 2115 1810 3185 3703 3579 2265 1961 2824 2821 2883 3148 4058 2277 1852 1132 2257 3487 3417 4983 2071 2074 4608 4877 4240 3257 1834 2084 946 3778 3038 5644 3236 2116 1761 3034 3282 3370 3471 2115 1639 2493 3930 42194_tocopherol beta NIST 636 746 582 507 412 600 439 460 264 483 363 288 219 222 173 124 198 241 297 242 396 498 330 215 474 401 277 202 42937_cholestan-3-ol 273 97 177 368 256 483 221 304 389 225 521 411 674 252 174 334 43_elaidic acid 494 770 493 528 410 399 491 519 313 1084 385 467 43_oleic acid 84.66666667 39 34 81 17 114 618 59 172 339 52 104 71 132 137 98 107 116 112 43180_trans-4-hydroxyproline 72 134 133 116 171 345 98 55 127 75 151 94 109 93 157 112 320 563 605 142 343 158 128 139 316 315 274 92 1546 78 78 105 440 110 556 144 60 149 93 201 572 88 747 115 80 441_urea 1803 1083 617 707 627 1135 586 1151 1291 1911 740 1139 1094 1138 45_methionine 19963.66667 5199 30905 23061 30647 27131 41625 35915 32542 18123 37497 31344 23577 26482 34207 3854 6151 40953 26946 20967 28713 31624 22113 13717 33214 22418 28303 25820 27601 28786 24393 33533 43233 34115 35434 30863 30864 27728 21002 43478 39741 11701 6157 28284 13620 14749 29772 42307 33278 16897 16074 17978 27083 28979 13479 26858 27093 15808 14296 27618 25955 2503 2508 25773 15565 18181 22137 23450 19245 25018 26748 12362 7705 23517 23509 4062 815 16350 13648 32488 31919 13115 2447 26290 8625 14451 30589 26977 8238 2843 26158 16010 36221 25662 5349 1406 45341_ethanolamine 1555 1304 2029 2562 1787 1573 1642 2262 1521 1797 1844 2592 2196 2657 2484 2534 45351_inositol-4-monophosphate 401 416 529 62 317 382 502 584 350 501 354 512 567 649 529 738 4545_tocopherol gamma- 14378 14973 8658 7490 6568 8188 6905 6692 3987 5321 2599 2604 2065.5 2692 1189 1003 3757 3462 6104 6178 7928 7381 4343 4183 14519 13765 6630 4758 4554_hexuronic acid 238 1310 2089 1481 1045 1325 1058 627 9976 1265 1956 1474 1152 1735 546 634 661 500 496 412 366 481 654 692 584 421 1086 564 46_3-hydroxybutyric acid 1255 2022 504 637 659 984 721 1418 1183 2435 499 1161 1007 1561 46167_ornithine 227 7239 1539 2230 6036 5017 3945 2540 2954 2033 5202 6584 6104 2921 6027 7131 46315_behenic acid 697 645 2077 1490 894 335 508 407 341 585 701 630 676 753 662 554 398 626 863 2243 988 269 565 780 494 656 660 1142 268 310 838 761 662 865 373 435 377 597 595 710 1209 805 259 358 475 639 2105 793 431 218 704 561 744 1852 734 325 292 908 977 686 521 318 321 4705_uridine 90.66666667 195 457 144 124 100 720 590 94 236 99 64 176 758 778 79 85 107 182 90 707 572 155 188 91 128 171 861 655 68 74 181 184 757 982 142 78 82 126 122 1410 1074 69 56 85 172 1915 786 83 110 4706_galactonic acid 547.6666667 429 367 153 445 254 270 508 368 261 495 177 320 443 379 346 286 300 226 242 205 176 4716_s(-)-willardiine 179.3333333 158 181 95 502 185 295 499 223 98 112 124 201 329 297 51 669 94 83 140 128 141 4730_melibiose 64 93 74 104 59 62 72 101 112 97 25 92 61 69 22 73 4759_inositol-4-monophosphate 678 665 248 60 456 465 125 91 566 367 115 180 116 120 290 660 215 291 614 940 96 179 332 480 224 185 4771_lactose 225 706 1087 1197 797 940 657 663 1119 901 893 941 575 727 684 1106 582 550 596 538 266 439 876 825 652 559 810 634 48_glyceric acid 1404.333333 110 828 644 733 260 238 193 425 217 743 767 680 235 251 136 125 1070 773 512 230 262 340 287 1121 621 789 529 418 1069 782 742 285 178 973 776 363 293 189 441 343 160 148 471 296 288 198 363 497 281 248 510 214 291 422 495 1054 363 443 212 129 141 131 1347 478 342 156 190 244 352 821 167 259 162 215 151 145 358 332 207 159 203 160 929 269 320 170 180 170 56 634 362 181 228 113 92 4831_beta-gentiobiose 419.1111111 289 197 232 84 82 196 174 260 70 138 381 377 76 116 93 283 219 257 118 122 241 156 142 118 169 386 343 324 92 111 309 264 141 162 96 239 292 562 292 305 619 215 664 422 299 215 199 267 414 203 347 274 572 49_lauric acid 1419 2714 1873 1415 1119 3761 2201 1993 1287 1899 1861 1942 1980 1677 2168 4923_oxalic acid 73.66666667 19 86 125 89 162 61 130 42 113 121 186 143 117 149 65 146 62 116 170 183 116 158 59 146 207 140 152.5 181 80 72 151 134 46 48 95 102 66 27 59 33 126 84 107 86 54 47 27 97 48 57 101 94 139 58 77 106 102 21 84 80 89 76 73 112 66 91 101 101 78 121 73 93 97 54 4939_nicotinic acid 537 409 177 266 338 446 1978 585 734 241 773 732 1697 748 4944_parabanic acid NIST 834 891 981 829 592 799 670 587 855 778 595 681 50_pelargonic acid 4753.777778 5251 4046 4317 4822 5222 7596 3248 9394 4174 4947 6339 6072 4427 6114 4451 4993 4960 6348 4949 6489 5673 3729 3749 29182 3237 7178 4326 6548 3949 4436 4158 5849 4462 6318 7307 3854 2579 2591 3763 6690 4497 3638 26219 2886 4175 5058 7621 5429 3966 1566 1904 8015 8178 6871 6700 2142 2206 2026 3926 10624 5311 6581 2504 1814 2812 3113 3431 7623 6881 1940 2026 1758 3883 6911 7516 6795 2763 2017 7402 16945 8392 5817 2669 3159 1930 3033 5904 6939 8433 2027 1783 4944 4336 4817 8839 50366_fructose 98786.5 82757 68621 59818 40705 34907 95145 59290 46010 28360 27976 111322 48500 31107 27616 20003 107201 64659 38448 83846 54013 12043 26619 23921 17301 6760 3779 50601 37990 9363 4605 4567 37952 31583 50422_capric acid 105.6666667 135 345 432 143 239 343 440 333 388 186 445 462 347 430 147 91 108 122 138 192 104 34 136 166 192 273 143 52 114 33 140 23 247 68 185 131 120 148 142 220 238 107 122 132 171 171 205 159 110 109 126 198 181 214 129 131 105 276 195 147 246 5393_methanolphosphate 503 482 854 325 364 272 603 307 351 166 467 153 447 561 325 58170_histidine 51986 37544 565 5768 29496 20964 41962 39729 64157 53891 15186 1156 45611 27396 583_pyruvic acid 36834 33688 6327 15155 40037 22239 30235 30624 37143 36046 15913 5336 6960 13366 5857_xylitol 250 316 209 251 1203 137 206 375 226 318 268 295 5864_pyruvic acid 35641 51936 37456 39040 21465 48626 70325 44069 37256 26188 29259 59867 36874 32492 34201 36164 54602 27185 39354 43658 29036 29192 62267 34704 69555 33732 25362 38255 26808 51143 14873 13124 24387 44371 6_glycine 32079 15499 46375 56760 59931 93280 105867 75339 30640 23411 50020 65791 54353 72047 95303 4255 8505 67396 65966 73122 68668 83539 26097 18375 56667 74014 56399 25566 34553 89063 60764 87124 89814 109499 45691 59160 42928 93315 81433 168861 157252 13140 11178 52759 57798 62245 114504 150669 45263 25900 20851 43091 64351 75045 20584 58912 24659 18948 19570 62714 58394 3015 3420 39165 24065 36290 52756 66287 41424 50585 26225 14491 16094 61677 60193 4698 1350 21654 25973 61234 56061 24920 5117 33725 17777 29248 76028 58825 9599 6258 26682 20415 56781 53400 5323 1836 62247_lactitol 124 160 357 193 154 139 165 159 423 125 84 166 180 132 95 160 135 98 127 109 86 72 151 169 178 107 173 128 62271_glucose-6-phosphate 1235 809 182 55 287 414 637 63 251 418 36 249 558 222 359 312 62293_UDP-N-acetylglucosamine 26786 6723 5464 8633 111 128 3174 3248 50 65 4808 3476 100 101 81 184 5049 3682 192 115 5436 5145 72 182 5134 3255 61 82 7134 4235 5537 5211 6707 4397 5256 6376 8443 5744 8389 5155 7580 7260 6355_histidine 12214.33333 16276 17248 17135 16920 16832 15685 22662 26521 13420 16545 22503 19534 27112 13418 35304 19366 23175 20122 19804 21737 23498 6431_fructose-6-phosphate 692 112 172 173 166 229 612 131 241 111 95 288 143 170 254 303 171 112 99 477 153 109 100 254 140 98 78 251 167 84 95 6432_lactulose 20280 40378 357 116 29867 30314 133 137 31477 24264 124 137 109 139 41949 28415 163 153 29214 30455 381 122 25476 27451 148 142 648_1-monostearin 658 503 763 713 743 734 178 1241 17 693 673 720 610 878 855 586 725 1071 332 598 986 706 585 864 820 635 554 545 535 698 577 481 447 397 459 574 142 886 691 807 353 253 167 799 146 467 110 251 214 785 185 247 1582 1298 343 363 536 243 307 790 1765 153 240 211 255 197 755 606 385 418 438 191 208 379 658 241 299 155 280 2032 951 237 135 420 216 294 1657 758 77 150 418 210 887 1677 275 120 65_cysteine 5954.888889 1827 7379 8316 14926 20245 35100 33412 23481 16663 8516 10765 7780 16726 23825 858 584 8656 11474 7787 24973 22587 5134 13272 7650 8908 11653 14264 23024 5400 10767 14924 45021 28686 27933 33876 5074 10446 7096 29896 32460 1066 1108 3986 3530 3939 22432 30731 26651.5 17568 11401 5658 18100 23277 8935 18789 2735 9388 8167 23752 20608 276 750 5309 9397 7470 15561 12551 8776 20032 4795 7916 3000 12157 15080 155 258 10571 6856 28579 30401 5872 795 4605 4325 7842 18504 14957 1251 889 5733 10584 32208 17359 456 436 6529_arachidonic acid 583 549 420 618 344 358 508 547 528 512 659 485 485 460 253 354 356 340 546 520 335 345 251 163 422 360 333 329 66_pyruvic acid 19360.33333 7371 38753 20458 6295 1798 27236 40363 14262 21860 16334 5837 4617 27608 17143 5542 5515 11944 4969 2878 22331 20113 31011 41970 13837 8705 7057 14890 18836 5442 2218 6873 6008 24323 32408 22912 6276 13118 8801 4687 22858 20366 13187 4028 17810 364 44370 22344 10707 2323 66319_cytidine 197 351 215 194 252 241 213 179 189 227 277 179 266 257 293 258 68093_inosine-5'-monophosphate 847 1568 7198 5535 4161 8546 9539 4671 10954 13450 9809 5871 17105 13557 3073 8716 68104_phenylacetamide 54 308 632 634 120 167 733 505 514 529 642 817 395 244 625 492 246 488 469 242 300 238 274 277 393 526 313 258 654 299 6866_caprylic acid 942 983 976 974 905 700 885 1117 1163 628 687 1202 1172 853 487 651 1266 928 1395 793 652 726 947 1328 645 875 731 449 314 809 514 993 371 471 628 636 235 214 546 478 356 285 223 443 415 323 398 308 496 613 461 352 215 416 434 392 230 515 433 399 479 295 405 351 305 303 387 400 69_indole-3-acetate 233 283 238 135 421 343 309 247 192 266 575 400 70_mannose 3196 1892 2116 1796 510 749 2126 1932 1352 162 102 2554 2087 764 742 662 2743 2463 1819 573 1246 2022 2126 1219 747 1756 265 1480 1004 160 545 1797 1023 1049 444 886 3115 2198 3115 2797 2457 3213 2708 1489 3574 3256 3098 2856 2813 3466 2579 1823 3615 2852 7010_hydroxycarbamate NIST 329 602 636 356 392 373 397 397 237 256 543 320 307 437 425 390 559 557 423 336 413 401 374 213 422 545 392 327 337 317 277 304 339 264 322 406 319 436 323 300 370 306 72408_tocopherol alpha- 4600 1541 1121 26239 26048 6886 6667 13056 12069 18073 16357 12808 11266 9883 7696 726_capric acid 387 306 236 264 299 329 231 430 310 418 298 261 322 219 727_heptadecanoic acid 1182.333333 1329 2092 1958 1855 2042 1294 2207 2435 1433 1815 2106 1744 697 1068 1448 2324 3100 2932 1233 987 1471 2439 2623 1849 1762 1933 1298 1212 1261 1621 1154 1424 919 759 1544 906 1492 1130 1152 629 636 1916 2409 1408 1195 1138 3779 1367 1008 1391 1174 1165 1296 1281 613 875 1383 1225 1058 973 681 1098 1234 1593 1197 1355 731 514 1716 2525 1404 1066 676 582 7362_ribitol 268 1112 1132 772 904 843 999 822 896 972 1097 1146 1062 1035 1038 1593 1174 1267 1150 813 651 743 1535 1192 1144 983 999 1708 7501_gluconic acid 452.6666667 379 286 397 121 143 282 181 382 313 210 116 118 70 154 510 338 220 125 102 199 151 490 280 280 161 209 356 296 282 243 134 396 333 264 323 217 174 270 131 96 303 186 197 136 122 179 133 138 147 195 162 242 155 157 112 54 325 131 157 101 121 283 141 135 94 179 142 185 119 69 336 191 129 84 128 236 191 94 86 7508_1-monoolein 623 754 713 548 552 676 626 634 401 763 845 560 797 317 781 213 7831_UDP-glucuronic acid 6484 9262 7122 2824 649 514 10253 7673 66 174 7788 4574 431 884 681 695 5902 4017 1198 1526 6458 2241 279 135 6981 3835 817 904 4685 4085 379 655 3826 4185 88 147 4166 2796 451 704 2504 1935 117 151 4436 4035 331 154 4791 2591 128 89 3824 2782 132 61 79_aspartic acid 10663.44444 25674 12347 16444 17746 461584 462526 364417 14438 11840 17691 19082 15532 565987 561730 1951 3344 15374 19091 15219 522004 523264 8838 9830 14248 17693 17728 20239 21791 5569 18619 14619 493772 493793 14258 19953 14761 19667 14658 557355 467569 5520 3981 10755 11639 10534 352430 360594 24362.5 9944 16614 4233 309359 232393 4121 8015 7165 13256 11702 314233 315291 1228 1888 601 13739 4727 314704 241693 3549 10942 6144 11737 7349 220293 229342 1791 623 13826 9337 331837 307817 3334 1616 6592 10610 12251 328660 250909 3798 2140 6726 14335 341110 321549 2092 851 8_proline 84851.22222 45468 133330 100234 141464 298978 375180 293840 89364 54982 154297 141080 100043 374450 560926 10988 19542 184266 135252 121253 351993 480430 75403 47623 148015 121882 132628 75141 94714 152703 128404 213535 466775 658357 112680 144153 129699 158907 125963 743777 731204 34711 20491 121359 82174 85147 544548 714995 122434.5 57495 88739 181504 336551 432339 50831 263426 95754 83657 84719 366657 433812 10182 16611 115429 80942 124268 344457 477610 79133 169254 93009 75316 55567 370063 392663 14987 6452 63496 104193 438469 342249 46513 16133 104863 43355 120257 493829 517408 35476 21864 78806 78569 350912 366070 18064 8349 80_lactic acid 1928.166667 16471 411770 438055 614449 492654 27454 191721 3925 39021 65941 148222 477129 33466 390 21938 40574 257609 275510 294390 18824 249462 17376 422520 69130 20870 495786 62600 155395 278892 246957 364787 76006 879781 7532 392382 203396 411953 382865 6228 90633 21328 348919 409685 470051 42013 29376 139166 80_lactic acid** 239611 253232 266438 253745 258343 268868 286128 280468 280413 262127 286960 265360 276091 272948 271997 278262 84199_n-acetylglutamate 927.6666667 234 864 1530 951 903 771 571 463 291 524 1045 1256 447 662 85 238 1015 865 2177 486 523 489 275 1102 1612 743 475 743 1324 904 845 543 495 472 489 716 1178 1029 735 727 341 118 940 2930 2748 621 673 1900 383 192 338 496 439 231 226 166 627 600 317 338 189 527 647 239 206 307 353 603 255 368 489 566 318 493 249 553 571 318 134 564 647 84204_galactose-6-phosphate 81.66666667 80 109 49 110 102 78 16 74 50 63 77 54 88 23 83 79 109 75 121 110 70 47 132 109 112 89 89 69 92 93 83 64 109 83 69 38 31 77 120 135 158 79 115 31 34 31 67 141 119 84524_inosine 693 2134 6206 5782 1543 1519 834 1274 1636 953 1420 2055 942 2933 1298 4204 11255 510 578 4636 3208 90 116 3612 3308 591 824 2940 3821 117 71 1974 4776 332 185 4351 6302 129 103 7534 3194 148 103 84531_2-monoolein 810 279 500 775 435 512 421 320 509 641 490 515 701 546 372 438 84542_nicotinamide 5176 3363 387 843 2127 1517 3067 2819 4866 3661 1278 613 4271 1786 84922_cytidine-5-monophosphate NIST 183812 23531 2488 83085 52220 967 2476 113018 85222 111 202 104070 92288 941 1312 64699 115057 117 50 98804 79481 517 114 157565 137254 170 113 69974 94567 130 230 85102_6-deoxyglucose 1148.666667 111 231 344 133 163 2954 105 322 265 123 156 175 327 808 207 165 220 376 87703_thymidine 183 126 87 179 131 132 134 189 123 164 172 123 158 248 209 87783_cis-gondoic acid 284 238 50 131 77 82 113 112 92 154 356 261 63 85 87943_cholesterol 154 61446 165 1055 78627 65868 870 173 2689 116622 105773 1218 1392 1068 94700 92199 805 233 654 143816 138198 174 1056 135431 128111 664 192 1031 121577 114677 907 497 114776 87272 87944_fructose-1-phosphate 266 337 371 286 488 155 393 282 391 456 400 267 88056_3,6-anhydro-D-galactose 412.3333333 291 486 641 316 357 440 257 324 461 408 515 252 342 470 316 294 459 259 88142_alpha-aminoadipic acid 100 251 1371 105 423 509 427 119 212 216 145 146 588 499 501 123 156 117 131 140 231 332 151 98 299 266 103 111 288 201 109 88181_pyrophosphate 1963755 1444851 14270 13933 1154409 1189522 621 1835 1332157 1088184 4026 14211 9580 8704 908665 1338362 21563 22981 1610624 964862 2029 2097 1319309 1044936 17459.5 12169 10971 19962 1701 2420 7501 12983 1742 523 4880 2517 3574 1462 1755 581 88421_leucine 96492 346106 274465 294286 279787 265289 240414 262724 251342 253348 330148 292156 301393 300022 346847 263122 88522_pyrophosphate 1158228 1091488 946347 689579 670927 809462 887317 906728 675399 684842 864307 667695 786660 601812 700105 909514 8917_dehydroabietic acid 4133 4090 597 541 953 1391 10166 9624 7696 10847 814 761 581 587 5319 15838 1786 1328 5843 9052 7225 10900 3974 6509 1072 1599 789 458 9_leucine 224024.7778 330814 257843 332755 315200 483866 222992 138128 397816 331061 243305 295948 387689 39905 66722 454620 303178 275924 306053 344381 210362 116201 381063 300061 306443 206696 207881 370087 278588 360729 434064 365947 286614 283565 339327 368314 275841 464221 433730 104656 63723 292230 195627 177073 292235 454013 279210 132274 140727 186542 123820 238669 261399 154710 154162 40571 33695 286157 166458 199358 214173 248324 269272 124257 99717 52861 14879 141776 175926 131940 34974 283949 90971 175121 90545 40070 262859 157998 67106 21342 92_erythritol 74 261 4085 3658 3535 3010 3043 2324 2114 2374 2307 5421 3674 3027 2790 916 732 1076 1134 133 791 659 1492 1446 69 146 155 1574 1231 98 920 903 797 928 732 820 1771 1362 90 577 374 1274 898 102 670 2350 2496 94_cystine 12232.44444 17382 11504 13949 15435 1200 22056 22935 19910 2187 8235 22318 11448 9543 18586 982 16165 10873 12152 16649 3361 18015 10752 13745 9651 1378 20650 16840 12709 12671 3371 23289 11562 12234 5506 851 2628 2270 1213 360 14110 2758 2705 1592 175 19765 4078 3814 6736 491 19161 2247 2151 3654 127 2892 2725 4936 203 16669 2787 2843 4096 182 16500 3020 3233 124 96_palmitoleic acid 1153 4561 1392 1152 731 866 3722 4319 471 236 3944 3807 689 419 687 669 4046 3873 1077 747 6064 1381 806 345 4345 4175 881.5 476 1503 1091 521 498 1130 832 240 179 1877 746 9881 1218 1682 1172 5759 374 1144 958 567 369 767 1626 294 184 1402 1151 349 199 997_octadecanol 147 426 365 234 138 321 352 299 282 164 218 281 240 203 314 325 317 255 222 386 251 255 375 201 163 347 218 174 154 122 164 130 193 141 156 116 167 124 231 107 146 183 148 53 213 121 169 88 162 179 203 93 206 231 165 178 185 218 167 88 110 236 187 237 175 216 101 105 125 192 105 69 153 121 107 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Other ID Ret. Index Spectra Quant m/z 10_oxoproline 10 485935 85:3305.0 86:3646.0 88:224.0 89:349.0 92:90.0 93:31.0 94:268.0 97:300.0 98:1005.0 99:1224.0 100:2213.0 101:88.0 102:773.0 103:769.0 104:198.0 105:507.0 106:72.0 108:279.0 109:95.0 110:674.0 111:220.0 112:3321.0 113:1081.0 114:1752.0 115:792.0 116:101.0 117:1281.0 118:207.0 119:332.0 122:383.0 123:65.0 124:48.0 126:536.0 127:49.0 128:356.0 129:115.0 130:114.0 131:2158.0 132:618.0 133:4526.0 134:754.0 135:255.0 137:24.0 138:84.0 139:101.0 141:560.0 142:564.0 144:150.0 145:44.0 147:25073.0 148:3867.0 149:1964.0 150:231.0 151:110.0 152:34.0 153:44.0 154:924.0 155:543.0 156:125259.0 157:16525.0 158:5271.0 159:295.0 161:60.0 168:216.0 170:226.0 172:75.0 173:47.0 174:264.0 179:19.0 184:105.0 186:103.0 187:45.0 190:138.0 191:44.0 193:24.0 198:10.0 200:33.0 201:26.0 202:22.0 203:17.0 208:35.0 213:44.0 214:995.0 215:198.0 216:25.0 223:14.0 224:15.0 225:28.0 227:32.0 228:286.0 229:106.0 230:4024.0 231:965.0 232:370.0 233:55.0 234:53.0 235:19.0 239:27.0 240:29.0 241:28.0 242:9.0 243:34.0 244:41.0 248:17.0 249:23.0 250:33.0 252:30.0 254:23.0 256:70.0 257:53.0 258:5230.0 259:951.0 260:512.0 261:125.0 262:25.0 266:32.0 268:21.0 270:17.0 273:170.0 274:55.0 275:38.0 276:17.0 279:40.0 280:23.0 281:27.0 284:8.0 286:17.0 287:13.0 292:13.0 312:27.0 318:27.0 330:8.0 351:24.0 366:15.0 369:20.0 373:33.0 374:31.0 375:28.0 376:17.0 378:14.0 381:13.0 384:20.0 387:16.0 388:20.0 392:21.0 396:15.0 412:13.0 419:20.0 422:26.0 426:29.0 428:23.0 432:27.0 433:22.0 437:22.0 439:22.0 441:13.0 445:22.0 447:13.0 449:23.0 452:14.0 453:14.0 454:19.0 455:26.0 459:17.0 461:21.0 462:19.0 463:33.0 464:26.0 467:24.0 468:18.0 469:26.0 475:23.0 486:26.0 492:20.0 493:22.0 156 100_tocopherol alpha- 100 1067809 85:207.0 87:84.0 88:72.0 91:780.0 92:83.0 93:140.0 94:40.0 95:435.0 97:218.0 99:100.0 103:358.0 105:440.0 106:76.0 107:223.0 108:54.0 109:243.0 110:64.0 111:199.0 112:52.0 113:56.0 115:104.0 116:123.0 117:293.0 119:705.0 120:82.0 121:197.0 129:158.0 131:400.0 134:108.0 135:351.0 136:189.0 141:89.0 145:154.0 147:430.0 149:213.0 159:143.0 161:190.0 162:65.0 163:233.0 164:77.0 174:64.0 175:152.0 177:175.0 178:150.0 179:135.0 187:130.0 188:82.0 189:159.0 191:142.0 193:493.0 194:161.0 197:35.0 199:33.0 204:38.0 205:199.0 206:104.0 208:676.0 209:334.0 212:19.0 216:56.0 219:104.0 220:108.0 221:766.0 222:220.0 223:549.0 224:131.0 225:56.0 226:34.0 231:78.0 233:136.0 234:136.0 235:155.0 236:4753.0 237:8656.0 238:1427.0 239:294.0 240:83.0 245:59.0 246:60.0 248:107.0 249:161.0 258:21.0 261:104.0 262:144.0 263:50.0 268:51.0 270:30.0 274:30.0 275:121.0 276:56.0 277:443.0 278:93.0 283:83.0 284:14.0 287:26.0 290:24.0 291:53.0 295:45.0 316:19.0 338:24.0 343:37.0 355:33.0 359:26.0 360:19.0 361:39.0 369:24.0 390:30.0 391:27.0 398:20.0 406:32.0 420:28.0 429:14.0 445:18.0 451:21.0 455:21.0 465:20.0 478:21.0 490:25.0 500:43.0 237 100875_glycerol-3-galactoside 100875 800205 85:119.0 86:50.0 88:92.0 89:704.0 90:63.0 97:170.0 99:209.0 101:1588.0 102:180.0 103:7466.0 104:638.0 105:274.0 113:140.0 114:16.0 115:228.0 116:505.0 117:2068.0 118:19.0 119:111.0 129:3086.0 130:248.0 131:1536.0 132:221.0 133:1744.0 135:112.0 136:31.0 141:23.0 143:419.0 144:45.0 147:6254.0 148:466.0 149:464.0 150:25.0 158:13.0 159:168.0 169:405.0 172:18.0 175:156.0 189:502.0 190:237.0 191:1005.0 192:114.0 193:51.0 199:32.0 203:276.0 204:12834.0 205:2295.0 206:1051.0 207:226.0 210:26.0 211:18.0 215:29.0 217:2304.0 218:608.0 219:433.0 220:66.0 222:44.0 231:179.0 232:11.0 234:25.0 241:33.0 242:53.0 243:183.0 257:79.0 265:43.0 271:64.0 277:37.0 294:50.0 305:137.0 306:14.0 308:57.0 309:18.0 313:22.0 317:15.0 322:58.0 325:7.0 332:41.0 333:71.0 335:52.0 337:433.0 338:151.0 339:62.0 345:9.0 346:14.0 347:23.0 351:56.0 353:42.0 360:38.0 361:212.0 362:89.0 363:59.0 364:10.0 365:9.0 378:42.0 420:28.0 443:12.0 479:10.0 481:38.0 484:22.0 494:24.0 204 102121_lactobionic acid 102121 972139 85:5490.0 86:1801.0 87:6474.0 88:3540.0 89:15202.0 90:1571.0 91:1284.0 92:511.0 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431:20.0 436:24.0 438:30.0 440:22.0 444:23.0 449:7.0 454:19.0 459:16.0 469:26.0 471:86.0 472:23.0 475:27.0 299 11_palmitic acid 11 713809 85:5547.0 86:2174.0 87:1945.0 88:1374.0 89:4967.0 90:773.0 91:1518.0 92:318.0 93:3798.0 94:511.0 95:10592.0 96:1486.0 97:8747.0 98:6953.0 99:4528.0 100:714.0 101:2700.0 102:872.0 103:543.0 105:5528.0 106:406.0 107:1555.0 108:180.0 109:2908.0 110:516.0 111:3724.0 112:1696.0 113:834.0 114:115.0 115:1629.0 116:11477.0 117:187825.0 118:18078.0 119:7322.0 120:225.0 121:1203.0 122:69.0 123:876.0 124:284.0 125:785.0 126:665.0 127:1046.0 128:874.0 129:85186.0 130:10537.0 131:29280.0 132:63732.0 133:12286.0 134:2792.0 135:1095.0 136:18.0 137:184.0 138:79.0 139:360.0 140:397.0 141:366.0 142:251.0 143:5894.0 144:548.0 145:34708.0 146:3903.0 147:1102.0 149:118.0 150:88.0 151:91.0 153:268.0 154:485.0 155:492.0 156:133.0 157:1550.0 158:290.0 159:2960.0 160:496.0 161:172.0 167:306.0 168:201.0 169:235.0 171:2833.0 172:309.0 173:923.0 174:523.0 175:123.0 177:125.0 180:41.0 181:281.0 182:321.0 183:116.0 184:72.0 185:3833.0 186:643.0 187:2450.0 188:684.0 189:189.0 190:75.0 191:117.0 192:33.0 195:534.0 196:154.0 197:77.0 198:60.0 199:878.0 200:221.0 201:5814.0 202:897.0 203:262.0 204:56.0 205:82.0 206:12.0 207:95.0 209:167.0 210:77.0 211:83.0 213:781.0 214:135.0 215:704.0 216:260.0 218:43.0 219:121.0 225:8.0 226:45.0 227:836.0 228:131.0 229:970.0 230:260.0 231:66.0 232:63.0 233:50.0 237:86.0 238:74.0 239:120.0 241:521.0 242:174.0 243:1204.0 244:298.0 245:119.0 255:146.0 256:61.0 257:536.0 258:194.0 269:1449.0 270:456.0 271:471.0 272:143.0 273:123.0 274:69.0 276:39.0 283:255.0 285:1333.0 286:374.0 287:77.0 291:38.0 298:25.0 299:202.0 300:49.0 301:74.0 304:53.0 311:65.0 312:749.0 313:22319.0 314:6366.0 315:1513.0 316:230.0 327:92.0 328:1505.0 329:376.0 330:125.0 332:25.0 353:30.0 358:23.0 375:50.0 382:31.0 388:56.0 398:45.0 399:36.0 400:24.0 408:48.0 420:45.0 421:25.0 425:20.0 442:30.0 458:35.0 459:30.0 461:31.0 466:39.0 474:39.0 493:42.0 313 11214_saccharic acid 11214 699211 85:376.0 86:223.0 87:56.0 89:377.0 90:30.0 91:59.0 93:137.0 94:112.0 95:140.0 99:663.0 100:177.0 101:426.0 102:1251.0 103:1710.0 104:173.0 105:104.0 106:11.0 108:89.0 110:106.0 111:181.0 112:63.0 113:312.0 114:10.0 115:253.0 116:35.0 117:1458.0 118:146.0 119:195.0 121:344.0 123:7.0 124:91.0 127:309.0 129:1394.0 130:600.0 131:1538.0 132:485.0 133:2043.0 134:499.0 135:122.0 138:17.0 139:23.0 140:81.0 141:149.0 143:3044.0 144:276.0 145:316.0 147:11913.0 148:1649.0 149:1383.0 150:224.0 151:65.0 152:26.0 155:42.0 156:105.0 157:300.0 158:37.0 159:125.0 160:188.0 161:43.0 163:36.0 168:44.0 169:105.0 171:1107.0 172:153.0 173:90.0 174:26.0 175:161.0 177:3.0 180:1.0 183:72.0 184:26.0 185:92.0 186:24.0 187:193.0 188:27.0 189:1990.0 190:418.0 191:701.0 192:53.0 196:40.0 198:32.0 199:106.0 201:154.0 203:24.0 205:736.0 206:83.0 207:329.0 208:19.0 211:75.0 212:45.0 213:56.0 214:86.0 215:292.0 216:80.0 217:2408.0 218:847.0 219:1061.0 220:53.0 221:1019.0 222:256.0 223:112.0 224:40.0 227:3.0 228:3.0 229:239.0 230:141.0 231:207.0 232:73.0 239:38.0 242:14.0 243:379.0 244:114.0 245:240.0 246:57.0 247:60.0 257:108.0 258:39.0 259:50.0 261:87.0 263:38.0 266:37.0 267:20.0 268:1.0 271:9.0 272:50.0 273:98.0 274:14.0 275:29.0 276:38.0 277:842.0 278:211.0 279:96.0 280:2.0 282:78.0 285:21.0 287:6.0 288:3.0 291:300.0 292:3043.0 293:825.0 294:462.0 295:47.0 300:2.0 304:31.0 305:1342.0 306:460.0 307:289.0 308:56.0 313:131.0 314:8.0 315:54.0 318:13.0 319:163.0 320:67.0 321:108.0 323:35.0 324:1.0 325:5.0 326:13.0 330:11.0 331:20.0 332:148.0 333:7260.0 334:2452.0 335:1196.0 336:220.0 337:32.0 338:1.0 342:134.0 343:16.0 345:219.0 346:57.0 347:24.0 353:14.0 354:30.0 356:31.0 357:5.0 358:38.0 359:37.0 360:19.0 367:7.0 370:42.0 371:36.0 373:358.0 374:113.0 375:90.0 376:6.0 377:14.0 379:65.0 380:40.0 392:11.0 393:334.0 394:58.0 395:41.0 404:12.0 407:2.0 408:23.0 411:87.0 416:36.0 419:206.0 420:34.0 423:301.0 424:157.0 425:112.0 426:5.0 431:11.0 435:177.0 436:26.0 437:5.0 444:186.0 445:129.0 446:53.0 447:162.0 448:83.0 449:81.0 459:92.0 461:5.0 463:20.0 465:3.0 475:10.0 495:18.0 333 12_lysine 12 663483 85:2755.0 86:29130.0 87:3786.0 88:12077.0 89:1291.0 90:709.0 92:136.0 93:103.0 94:668.0 95:313.0 96:506.0 97:609.0 98:2819.0 99:1955.0 100:31497.0 101:4429.0 102:7671.0 103:3645.0 104:565.0 105:379.0 106:83.0 107:97.0 108:128.0 109:134.0 110:753.0 111:416.0 112:6522.0 113:2018.0 114:7116.0 115:10574.0 116:3465.0 117:4929.0 118:1028.0 119:900.0 120:191.0 121:127.0 123:145.0 124:606.0 125:212.0 126:2585.0 127:890.0 128:26290.0 129:4466.0 130:10847.0 131:6738.0 132:4508.0 133:6149.0 134:1147.0 135:446.0 136:164.0 137:87.0 138:490.0 139:364.0 140:4779.0 141:959.0 142:2987.0 143:733.0 144:945.0 145:366.0 146:4631.0 147:19359.0 148:3405.0 149:2181.0 150:370.0 151:803.0 152:303.0 153:342.0 154:12756.0 155:4130.0 156:76791.0 157:11196.0 158:4511.0 159:694.0 160:1657.0 161:389.0 162:279.0 163:194.0 164:207.0 165:79.0 166:971.0 167:543.0 168:665.0 169:235.0 170:669.0 171:213.0 172:2443.0 173:538.0 174:56553.0 175:9869.0 176:4416.0 177:481.0 178:80.0 179:20.0 180:41.0 181:86.0 182:316.0 183:184.0 184:486.0 185:201.0 186:1848.0 187:494.0 188:654.0 189:497.0 190:228.0 191:1071.0 192:171.0 193:95.0 196:57.0 198:177.0 199:144.0 200:4730.0 201:916.0 202:1665.0 203:494.0 204:290.0 205:118.0 206:87.0 207:45.0 212:365.0 213:404.0 214:1612.0 215:693.0 216:761.0 217:481.0 218:2436.0 219:842.0 220:589.0 221:357.0 222:91.0 223:85.0 224:57.0 225:87.0 226:147.0 227:253.0 228:3361.0 229:965.0 230:9677.0 231:2065.0 232:926.0 233:166.0 234:84.0 235:45.0 236:25.0 237:33.0 238:339.0 239:231.0 240:411.0 241:153.0 242:132.0 243:169.0 244:261.0 245:108.0 246:149.0 247:62.0 248:108.0 249:44.0 250:50.0 252:44.0 253:45.0 254:1013.0 255:485.0 256:307.0 257:183.0 258:311.0 259:140.0 260:184.0 261:68.0 262:81.0 266:91.0 267:49.0 269:68.0 271:69.0 272:363.0 273:584.0 274:308.0 275:95.0 276:49.0 285:15.0 286:23.0 288:52.0 289:58.0 291:32.0 292:18.0 295:17.0 299:46.0 300:27.0 301:76.0 302:142.0 303:70.0 304:99.0 305:35.0 314:22.0 315:52.0 316:163.0 317:9077.0 318:3043.0 319:1317.0 320:285.0 321:73.0 322:19.0 326:18.0 327:34.0 328:63.0 329:762.0 330:344.0 331:155.0 332:56.0 334:20.0 335:20.0 337:28.0 338:20.0 343:19.0 346:16.0 347:42.0 349:20.0 351:18.0 352:15.0 353:17.0 354:22.0 356:91.0 358:26.0 361:25.0 362:33.0 363:32.0 365:20.0 366:23.0 367:29.0 368:14.0 369:34.0 371:31.0 372:23.0 373:22.0 374:31.0 376:27.0 377:24.0 382:23.0 384:22.0 385:22.0 391:133.0 392:93.0 393:29.0 395:17.0 397:25.0 398:16.0 401:21.0 406:23.0 408:14.0 409:19.0 416:16.0 417:14.0 418:40.0 419:156.0 420:97.0 422:18.0 423:30.0 424:15.0 425:15.0 427:23.0 432:30.0 433:63.0 434:524.0 435:309.0 436:172.0 437:60.0 438:30.0 441:28.0 443:12.0 446:23.0 447:26.0 449:14.0 450:20.0 451:22.0 452:31.0 455:19.0 457:30.0 458:22.0 459:18.0 461:20.0 463:15.0 464:21.0 465:13.0 467:39.0 468:12.0 469:30.0 473:16.0 476:20.0 482:14.0 484:28.0 485:18.0 491:18.0 493:21.0 494:13.0 156 12266_sulfuric acid 12266 282411 85:304.0 87:1338.0 89:427.0 90:627.0 91:2568.0 92:299.0 93:437.0 94:219.0 95:38.0 98:17.0 100:576.0 102:801.0 103:2654.0 104:808.0 105:1171.0 106:909.0 107:6785.0 108:162.0 109:273.0 110:3976.0 114:441.0 115:1666.0 116:60.0 117:1133.0 118:2283.0 119:883.0 120:398.0 123:90.0 124:26.0 129:38.0 130:9958.0 131:5448.0 132:1296.0 133:3074.0 134:11823.0 135:2694.0 136:426.0 137:183.0 138:26.0 139:1384.0 145:21.0 147:90852.0 148:14875.0 149:7140.0 150:564.0 151:112.0 160:10.0 174:19.0 180:127.0 184:5141.0 185:668.0 186:286.0 192:24.0 199:1330.0 200:28.0 227:13526.0 228:2121.0 229:1426.0 230:131.0 249:25.0 279:20.0 369:127.0 489:9.0 227 12267_isocitric acid 12267 616323 89:522.0 90:180.0 95:584.0 97:191.0 98:207.0 99:600.0 101:378.0 102:3.0 103:489.0 106:964.0 109:156.0 112:78.0 113:859.0 114:122.0 116:611.0 118:39.0 119:171.0 121:116.0 125:52.0 127:331.0 128:413.0 129:390.0 133:1883.0 136:574.0 140:130.0 143:846.0 144:381.0 145:464.0 147:7317.0 148:543.0 149:1044.0 150:416.0 151:31.0 155:15.0 156:300.0 157:980.0 158:167.0 159:58.0 161:79.0 163:99.0 167:4.0 169:358.0 174:23.0 177:527.0 179:51.0 182:73.0 186:562.0 187:271.0 189:171.0 190:155.0 191:751.0 203:478.0 204:1106.0 205:217.0 206:37.0 209:96.0 212:147.0 213:334.0 214:84.0 215:194.0 217:603.0 218:16.0 219:418.0 221:318.0 222:144.0 225:13.0 230:115.0 232:51.0 234:1.0 237:28.0 241:124.0 243:85.0 245:8570.0 246:2271.0 247:891.0 248:163.0 249:9.0 251:4.0 252:3.0 256:29.0 259:158.0 260:70.0 261:13.0 262:5.0 265:158.0 268:5.0 269:1.0 271:22.0 272:235.0 274:378.0 275:413.0 276:136.0 282:1.0 283:17.0 284:12.0 285:346.0 286:125.0 287:187.0 289:72.0 290:20.0 291:63.0 292:1.0 297:26.0 298:2.0 299:57.0 303:320.0 304:99.0 306:54.0 308:37.0 310:49.0 313:28.0 317:41.0 318:40.0 319:3146.0 320:1387.0 321:547.0 322:126.0 323:20.0 325:164.0 331:31.0 334:73.0 337:59.0 338:19.0 339:3.0 341:157.0 347:108.0 348:287.0 349:44.0 351:12.0 356:1.0 362:1.0 365:106.0 374:20.0 375:437.0 376:528.0 377:261.0 378:55.0 379:33.0 384:10.0 388:1.0 389:6.0 390:207.0 391:62.0 394:46.0 395:19.0 398:32.0 401:44.0 410:1.0 413:1.0 419:9.0 429:2.0 434:2.0 438:32.0 444:1.0 460:1.0 464:62.0 465:82.0 466:49.0 467:32.0 468:41.0 475:8.0 477:1.0 480:1.0 481:31.0 483:1.0 489:1.0 499:1.0 245 125_adipic acid 125 474435 85:2037.0 86:2852.0 87:703.0 88:641.0 89:904.0 90:27.0 91:64.0 92:167.0 93:122.0 94:58.0 95:60.0 96:79.0 97:441.0 99:4029.0 100:405.0 101:502.0 102:524.0 105:259.0 107:59.0 108:26.0 109:187.0 110:362.0 111:58622.0 112:3744.0 113:1086.0 114:171.0 115:1351.0 116:2824.0 117:11244.0 118:1055.0 119:703.0 120:50.0 123:10.0 124:19.0 125:208.0 126:57.0 128:229.0 129:9390.0 130:2687.0 131:1989.0 132:910.0 133:3866.0 134:574.0 135:363.0 136:36.0 137:28.0 139:134.0 140:91.0 141:22408.0 142:2976.0 143:1671.0 144:12.0 145:426.0 146:254.0 147:25012.0 148:3888.0 149:5613.0 150:383.0 151:303.0 152:35.0 154:141.0 155:180.0 157:2340.0 158:564.0 159:5456.0 160:659.0 161:232.0 162:24.0 163:64.0 164:48.0 166:40.0 167:18.0 170:81.0 171:29.0 172:8835.0 173:1327.0 174:429.0 175:115.0 177:33.0 181:23.0 183:89.0 184:59.0 185:7436.0 186:765.0 187:338.0 188:18.0 189:114.0 191:28.0 197:13.0 198:23.0 199:48.0 200:825.0 201:305.0 202:94.0 203:216.0 204:1408.0 205:327.0 206:103.0 207:55.0 211:18.0 213:19.0 215:387.0 216:72.0 217:1764.0 218:417.0 219:176.0 220:55.0 222:21.0 225:9.0 226:21.0 228:29.0 229:113.0 230:49.0 231:404.0 232:97.0 234:22.0 235:18.0 236:13.0 237:39.0 240:33.0 242:13.0 243:27.0 245:35.0 246:12.0 247:307.0 248:117.0 249:47.0 250:36.0 251:46.0 252:14.0 253:31.0 254:29.0 255:16.0 259:33.0 261:61.0 262:34.0 263:32.0 264:19.0 272:17.0 273:20.0 274:40.0 275:3283.0 276:745.0 278:61.0 284:31.0 286:15.0 288:16.0 290:49.0 291:28.0 292:40.0 297:26.0 298:39.0 304:22.0 307:23.0 310:16.0 314:31.0 315:21.0 316:32.0 318:37.0 321:28.0 322:22.0 323:26.0 324:33.0 325:17.0 327:23.0 328:36.0 329:33.0 330:27.0 332:22.0 333:26.0 335:32.0 336:29.0 342:11.0 343:15.0 345:14.0 348:24.0 349:20.0 350:32.0 354:29.0 359:37.0 361:17.0 363:13.0 364:26.0 365:35.0 369:24.0 373:26.0 374:22.0 375:13.0 377:43.0 380:30.0 382:15.0 387:26.0 389:23.0 391:38.0 392:15.0 393:42.0 398:31.0 400:17.0 406:24.0 407:18.0 408:33.0 411:29.0 413:39.0 417:38.0 421:20.0 423:28.0 424:17.0 426:34.0 427:20.0 428:20.0 430:18.0 432:15.0 435:15.0 436:12.0 437:36.0 438:25.0 439:30.0 441:14.0 444:42.0 446:28.0 448:19.0 450:25.0 455:27.0 456:32.0 458:27.0 460:28.0 461:19.0 462:27.0 465:14.0 467:38.0 468:29.0 470:25.0 472:17.0 474:10.0 475:20.0 476:36.0 478:18.0 483:35.0 484:30.0 485:36.0 486:15.0 488:31.0 490:28.0 492:37.0 493:26.0 494:18.0 495:44.0 496:28.0 497:23.0 499:33.0 111 127_myristic acid 127 634414 85:1672.0 86:922.0 87:259.0 88:617.0 89:2301.0 90:194.0 91:565.0 93:1089.0 94:262.0 95:2947.0 96:479.0 97:1977.0 98:1752.0 99:1650.0 100:382.0 101:1406.0 104:452.0 105:1305.0 106:321.0 107:394.0 108:204.0 109:725.0 110:354.0 111:699.0 112:710.0 116:3547.0 117:55137.0 118:5160.0 119:1775.0 120:155.0 121:314.0 122:68.0 123:74.0 124:132.0 125:204.0 128:186.0 129:23236.0 130:2963.0 131:10163.0 132:11889.0 133:3977.0 134:251.0 135:196.0 137:213.0 142:380.0 143:1660.0 144:258.0 145:6827.0 146:1002.0 154:132.0 157:1595.0 158:190.0 159:829.0 160:108.0 165:86.0 167:466.0 168:55.0 171:571.0 172:167.0 173:1219.0 174:373.0 182:85.0 184:132.0 185:1121.0 186:96.0 187:483.0 188:195.0 190:289.0 194:89.0 195:15.0 197:77.0 199:354.0 200:238.0 201:1314.0 202:210.0 210:76.0 213:352.0 214:117.0 215:254.0 216:112.0 222:61.0 225:68.0 226:54.0 227:76.0 228:80.0 229:237.0 230:251.0 236:18.0 238:15.0 239:50.0 240:46.0 241:393.0 242:363.0 243:137.0 244:281.0 246:56.0 250:55.0 251:52.0 253:35.0 255:197.0 256:135.0 257:304.0 258:149.0 265:135.0 266:9.0 267:40.0 268:20.0 270:86.0 271:172.0 273:243.0 274:51.0 281:39.0 285:4066.0 286:965.0 287:455.0 288:81.0 289:46.0 292:47.0 302:41.0 306:80.0 313:35.0 314:11.0 315:14.0 316:113.0 321:192.0 322:27.0 325:23.0 327:25.0 329:41.0 330:45.0 334:24.0 337:8.0 338:30.0 339:17.0 344:39.0 346:67.0 347:84.0 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393:18.0 396:30.0 399:28.0 408:16.0 411:23.0 417:13.0 419:19.0 429:26.0 431:40.0 434:17.0 435:25.0 442:26.0 444:38.0 459:20.0 470:30.0 498:17.0 500:21.0 117 1373_cellobiose 1373 932179 85:169.0 86:40.0 87:224.0 89:1164.0 93:16.0 95:81.0 96:78.0 97:144.0 99:39.0 100:142.0 101:420.0 102:239.0 103:2566.0 104:303.0 105:530.0 107:39.0 108:20.0 113:215.0 114:2.0 115:122.0 116:171.0 117:1882.0 119:55.0 123:25.0 125:56.0 127:215.0 129:1861.0 130:230.0 131:535.0 132:80.0 133:993.0 141:125.0 142:21.0 143:419.0 144:69.0 145:87.0 146:72.0 147:5903.0 148:921.0 149:340.0 155:337.0 156:102.0 157:308.0 159:101.0 160:711.0 161:166.0 162:103.0 163:212.0 165:54.0 166:53.0 167:40.0 169:754.0 170:151.0 171:22.0 173:147.0 177:72.0 183:91.0 187:25.0 189:441.0 191:683.0 192:99.0 193:4.0 200:19.0 203:74.0 204:3798.0 205:1516.0 206:247.0 210:83.0 216:40.0 217:2047.0 218:429.0 219:68.0 220:36.0 221:143.0 229:139.0 231:159.0 232:71.0 233:137.0 241:13.0 243:224.0 244:122.0 245:51.0 246:46.0 247:56.0 254:10.0 255:39.0 256:9.0 257:90.0 259:66.0 262:59.0 269:77.0 270:77.0 271:387.0 272:77.0 273:91.0 274:50.0 275:63.0 277:34.0 279:57.0 281:52.0 288:46.0 289:35.0 290:16.0 292:15.0 295:34.0 300:12.0 302:37.0 305:93.0 310:38.0 311:60.0 313:60.0 314:50.0 315:29.0 317:80.0 318:44.0 319:476.0 320:181.0 321:114.0 322:73.0 324:43.0 325:52.0 329:71.0 331:146.0 332:98.0 347:20.0 348:32.0 349:66.0 356:7.0 358:70.0 359:78.0 360:71.0 361:1011.0 362:372.0 363:206.0 364:13.0 365:27.0 367:19.0 371:44.0 377:25.0 378:47.0 379:25.0 381:47.0 382:17.0 384:34.0 386:46.0 389:48.0 390:63.0 393:34.0 414:50.0 419:37.0 426:14.0 451:13.0 470:21.0 499:35.0 204 1391_malic acid 1391 463180 85:66.0 87:316.0 88:106.0 89:148.0 90:42.0 95:37.0 99:129.0 101:4462.0 102:488.0 103:641.0 104:93.0 105:294.0 115:533.0 116:432.0 117:2305.0 118:259.0 119:501.0 120:70.0 121:62.0 124:21.0 129:385.0 131:1945.0 132:129.0 133:6850.0 134:1075.0 135:667.0 136:51.0 137:33.0 139:20.0 142:41.0 143:745.0 144:107.0 145:145.0 147:21089.0 148:2969.0 149:2528.0 150:99.0 151:286.0 153:24.0 158:12.0 159:29.0 163:56.0 171:746.0 172:65.0 173:152.0 174:39.0 175:1710.0 176:253.0 177:569.0 178:101.0 185:29.0 189:1905.0 190:1476.0 191:1353.0 192:105.0 193:115.0 203:199.0 204:80.0 205:117.0 206:14.0 207:77.0 217:657.0 219:91.0 220:35.0 221:361.0 222:30.0 226:29.0 233:2954.0 234:575.0 235:253.0 236:55.0 245:1680.0 246:276.0 247:169.0 251:18.0 259:16.0 260:68.0 263:317.0 264:135.0 265:542.0 266:32.0 267:81.0 268:33.0 274:13.0 286:17.0 291:28.0 305:75.0 306:146.0 307:460.0 308:93.0 309:61.0 312:12.0 319:144.0 320:48.0 321:21.0 324:26.0 335:201.0 336:131.0 337:48.0 342:19.0 344:33.0 348:21.0 352:19.0 353:20.0 355:17.0 366:24.0 368:29.0 369:15.0 371:25.0 377:16.0 380:20.0 395:9.0 411:23.0 413:12.0 415:19.0 416:19.0 423:31.0 427:13.0 443:17.0 447:16.0 454:16.0 455:15.0 456:33.0 464:16.0 466:14.0 473:12.0 474:15.0 499:28.0 233 14_tryptophan 14 780482 86:650.0 87:425.0 89:261.0 100:3562.0 101:1584.0 102:1611.0 103:773.0 104:190.0 113:59.0 114:89.0 115:489.0 118:184.0 119:183.0 127:218.0 130:2243.0 131:264.0 132:923.0 133:652.0 144:250.0 145:420.0 146:217.0 147:2097.0 148:245.0 149:212.0 154:44.0 156:266.0 157:161.0 158:212.0 159:339.0 160:439.0 161:112.0 162:7.0 170:343.0 171:149.0 172:244.0 173:187.0 174:182.0 175:114.0 177:48.0 182:53.0 183:28.0 184:219.0 186:457.0 187:53.0 188:390.0 189:222.0 190:515.0 191:181.0 198:133.0 199:225.0 200:1444.0 201:360.0 202:50950.0 203:10013.0 204:2891.0 205:325.0 206:74.0 215:80.0 218:1837.0 219:230.0 220:101.0 230:420.0 233:23.0 238:22.0 239:30.0 240:24.0 241:38.0 242:41.0 247:44.0 250:35.0 251:30.0 264:60.0 266:15.0 272:45.0 280:28.0 282:40.0 290:39.0 291:2652.0 292:727.0 293:366.0 294:18.0 296:23.0 302:20.0 303:194.0 304:23.0 322:37.0 332:33.0 338:45.0 340:22.0 342:26.0 348:42.0 350:28.0 351:27.0 357:27.0 364:22.0 365:15.0 367:18.0 371:17.0 377:107.0 378:56.0 394:26.0 400:29.0 405:86.0 406:64.0 419:24.0 424:18.0 429:27.0 433:18.0 438:28.0 442:26.0 449:17.0 451:25.0 459:35.0 465:14.0 494:23.0 495:13.0 496:19.0 500:23.0 202 146_asparagine 146 553078 86:261.0 87:142.0 88:87.0 89:283.0 90:151.0 91:43.0 92:46.0 93:35.0 98:167.0 100:1725.0 101:112.0 102:22.0 104:36.0 107:43.0 108:48.0 109:43.0 111:105.0 112:77.0 113:62.0 114:223.0 115:405.0 116:5151.0 117:1014.0 118:309.0 119:90.0 120:36.0 125:136.0 126:95.0 128:266.0 130:448.0 131:829.0 132:2241.0 133:857.0 134:239.0 135:54.0 137:47.0 141:1377.0 142:341.0 143:178.0 144:126.0 145:46.0 146:126.0 147:2699.0 148:344.0 149:308.0 150:69.0 151:39.0 152:16.0 154:23.0 155:16.0 156:24.0 158:69.0 159:423.0 160:58.0 161:69.0 168:18.0 172:124.0 173:227.0 174:87.0 176:58.0 179:18.0 181:21.0 183:18.0 186:15.0 188:1132.0 189:241.0 190:194.0 191:45.0 192:24.0 198:17.0 199:60.0 200:23.0 201:66.0 202:375.0 203:114.0 204:161.0 205:169.0 206:99.0 207:59.0 209:21.0 210:18.0 211:17.0 213:86.0 214:72.0 215:185.0 216:111.0 217:148.0 218:371.0 219:63.0 220:25.0 223:25.0 224:22.0 227:27.0 228:20.0 229:33.0 230:32.0 231:1151.0 232:266.0 233:112.0 234:35.0 237:20.0 240:17.0 242:50.0 243:101.0 244:54.0 245:24.0 246:28.0 247:30.0 249:18.0 251:31.0 254:13.0 257:13.0 258:201.0 259:60.0 261:19.0 263:75.0 265:45.0 270:23.0 275:42.0 276:19.0 278:25.0 280:34.0 281:38.0 282:26.0 288:28.0 292:61.0 293:16.0 294:13.0 300:23.0 301:40.0 303:15.0 305:19.0 306:26.0 307:58.0 309:11.0 311:20.0 312:19.0 314:29.0 315:35.0 316:36.0 317:25.0 318:17.0 321:26.0 325:46.0 327:20.0 328:13.0 329:36.0 331:33.0 333:52.0 334:24.0 335:95.0 336:37.0 337:24.0 338:31.0 339:32.0 344:15.0 348:36.0 350:18.0 359:21.0 365:12.0 369:25.0 380:19.0 383:31.0 385:28.0 389:25.0 391:31.0 392:17.0 393:19.0 403:24.0 406:30.0 408:18.0 413:14.0 414:28.0 416:26.0 417:15.0 418:13.0 419:16.0 422:16.0 426:21.0 428:20.0 435:30.0 436:13.0 437:22.0 442:20.0 445:13.0 447:22.0 451:26.0 453:13.0 457:24.0 458:30.0 459:19.0 460:26.0 462:24.0 464:41.0 469:24.0 470:41.0 497:33.0 500:26.0 188 14705_lactic acid 14705 215238 85:55.0 86:49.0 87:370.0 88:626.0 89:198.0 90:20.0 91:45.0 92:10.0 93:35.0 94:17.0 95:9.0 96:21.0 98:19.0 99:5.0 100:4.0 101:323.0 102:244.0 103:143.0 104:29.0 105:26.0 106:91.0 107:57.0 108:26.0 109:8.0 113:16.0 114:3.0 115:133.0 116:84.0 117:5872.0 118:596.0 119:296.0 120:13.0 121:8.0 122:13.0 124:8.0 127:65.0 128:3.0 129:93.0 130:160.0 131:304.0 132:69.0 133:700.0 134:8.0 135:23.0 137:1.0 142:4.0 143:17.0 144:12.0 146:2.0 147:5653.0 148:1042.0 149:510.0 150:51.0 151:31.0 152:2.0 153:2.0 157:1.0 158:8.0 159:2.0 161:2.0 166:6.0 168:2.0 170:1.0 171:1.0 173:2.0 174:60.0 175:33.0 176:5.0 177:8.0 178:2.0 179:5.0 180:2.0 182:3.0 183:8.0 184:10.0 185:12.0 186:23.0 187:15.0 188:7.0 190:592.0 191:1002.0 192:189.0 193:76.0 194:2.0 198:4.0 199:29.0 201:6.0 203:23.0 207:162.0 208:8.0 209:17.0 210:3.0 213:3.0 215:5.0 218:6.0 219:165.0 220:33.0 224:1.0 225:1.0 227:6.0 228:4.0 229:1.0 232:6.0 236:6.0 237:4.0 238:8.0 240:1.0 244:3.0 245:2.0 248:2.0 251:3.0 254:2.0 256:2.0 257:1.0 258:3.0 260:3.0 261:2.0 263:1.0 270:4.0 271:1.0 272:1.0 274:5.0 276:6.0 277:4.0 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89:6.0 91:3.0 94:1.0 95:12.0 101:38.0 102:28.0 103:339.0 104:1.0 107:71.0 108:1.0 109:6.0 110:24.0 115:234.0 116:17.0 117:2401.0 118:181.0 119:65.0 121:8.0 126:8.0 129:81.0 130:39.0 131:119.0 132:48.0 133:106.0 134:24.0 137:3.0 140:2.0 143:12.0 144:1.0 145:14.0 146:2.0 147:682.0 148:116.0 149:70.0 153:2.0 155:94.0 156:1.0 157:35.0 168:1.0 171:1.0 183:1.0 184:11.0 185:1.0 187:3.0 190:18.0 192:4.0 194:1.0 199:9.0 200:2.0 203:6.0 211:3.0 213:3.0 221:38.0 224:1.0 227:10.0 229:5.0 231:43.0 232:1.0 241:4.0 242:9.0 243:3.0 245:94.0 246:136.0 247:22.0 256:2.0 257:51.0 261:2.0 263:2.0 273:8.0 275:1.0 278:6.0 282:4.0 283:1.0 291:2.0 293:1.0 298:1.0 305:87.0 306:10.0 312:2.0 315:6.0 317:4.0 318:5.0 319:3.0 327:6.0 329:2.0 330:2.0 332:1.0 335:8.0 336:36.0 338:3.0 339:1.0 340:1.0 342:3.0 345:1.0 347:29.0 348:18.0 356:4.0 357:3.0 360:3.0 363:3.0 369:6.0 383:4.0 394:1.0 406:3.0 407:8.0 408:62.0 409:22.0 410:8.0 412:3.0 416:3.0 418:1.0 419:2.0 441:1.0 445:7.0 447:3.0 455:4.0 459:2.0 466:1.0 467:1.0 487:1.0 488:2.0 489:1.0 495:3.0 117 14755_fumaric acid 14755 390016 85:387.0 86:38.0 87:9.0 88:13.0 89:36.0 91:8.0 92:19.0 93:21.0 94:2.0 95:36.0 96:23.0 97:35.0 98:167.0 99:149.0 100:30.0 101:19.0 102:3.0 103:106.0 104:6.0 105:54.0 106:32.0 108:1.0 109:14.0 111:16.0 113:179.0 114:8.0 115:714.0 116:73.0 117:197.0 118:25.0 119:46.0 120:15.0 121:3.0 122:5.0 123:4.0 125:11.0 126:132.0 127:348.0 128:131.0 129:57.0 130:40.0 131:175.0 132:35.0 133:1168.0 134:224.0 135:100.0 136:12.0 137:6.0 138:8.0 141:18.0 142:55.0 143:1712.0 144:150.0 145:69.0 146:7.0 147:5815.0 148:846.0 149:796.0 150:64.0 151:47.0 154:4.0 155:552.0 156:86.0 157:260.0 158:30.0 159:37.0 160:2.0 161:3.0 162:3.0 164:5.0 168:7.0 169:12.0 170:74.0 171:104.0 172:5.0 173:62.0 175:2.0 181:5.0 183:14.0 184:23.0 185:11.0 186:8.0 187:12.0 188:2.0 189:8.0 191:7.0 192:9.0 196:1.0 198:2.0 200:9.0 201:46.0 202:13.0 203:6.0 205:4.0 206:9.0 208:1.0 211:1.0 212:2.0 214:4.0 215:36.0 216:10.0 217:271.0 218:72.0 219:15.0 220:2.0 221:14.0 222:6.0 223:4.0 225:3.0 228:1.0 229:5.0 230:6.0 231:2.0 232:8.0 234:10.0 236:5.0 237:2.0 238:2.0 239:3.0 240:4.0 241:6.0 242:25.0 243:5.0 244:25.0 245:6144.0 246:1209.0 247:492.0 248:77.0 249:8.0 250:5.0 251:13.0 252:2.0 253:6.0 254:6.0 255:2.0 256:8.0 258:4.0 259:12.0 260:9.0 261:2.0 263:1.0 264:6.0 265:3.0 266:4.0 269:2.0 270:3.0 272:4.0 273:6.0 275:1.0 276:3.0 277:3.0 279:5.0 280:19.0 281:7.0 283:19.0 284:2.0 285:7.0 287:1.0 288:2.0 290:2.0 291:7.0 296:3.0 297:3.0 298:2.0 299:1.0 300:7.0 301:5.0 302:1.0 304:3.0 305:5.0 306:4.0 307:14.0 308:6.0 310:2.0 311:4.0 312:5.0 313:5.0 315:5.0 316:3.0 317:1.0 318:5.0 319:1.0 320:6.0 322:1.0 323:10.0 325:12.0 327:9.0 328:3.0 332:1.0 334:2.0 335:9.0 336:2.0 338:3.0 339:3.0 340:6.0 341:3.0 342:1.0 343:2.0 344:6.0 346:5.0 347:1.0 351:2.0 352:3.0 355:1.0 358:6.0 361:2.0 362:11.0 365:9.0 366:4.0 368:3.0 369:3.0 370:1.0 372:7.0 373:6.0 375:8.0 376:4.0 377:3.0 378:8.0 379:2.0 380:11.0 382:2.0 383:1.0 385:3.0 386:1.0 387:1.0 388:2.0 392:8.0 393:1.0 395:2.0 398:2.0 399:3.0 400:7.0 401:1.0 402:4.0 403:5.0 404:2.0 405:9.0 406:5.0 407:12.0 408:3.0 409:4.0 410:4.0 412:3.0 413:4.0 416:3.0 417:1.0 419:2.0 420:5.0 421:14.0 422:2.0 423:1.0 424:10.0 425:2.0 426:6.0 428:1.0 431:9.0 432:7.0 434:8.0 436:2.0 437:4.0 438:3.0 439:8.0 440:11.0 441:3.0 442:3.0 443:1.0 444:2.0 446:2.0 448:10.0 449:5.0 450:1.0 452:5.0 454:5.0 455:8.0 456:6.0 457:2.0 459:9.0 460:1.0 461:2.0 464:8.0 465:3.0 466:2.0 468:1.0 469:10.0 470:6.0 471:13.0 472:2.0 473:1.0 474:7.0 475:3.0 476:5.0 477:3.0 478:6.0 480:8.0 481:7.0 482:12.0 483:3.0 484:3.0 487:11.0 488:2.0 489:2.0 490:3.0 491:16.0 495:1.0 497:1.0 498:4.0 500:7.0 245 148_beta-alanine 148 435564 85:228.0 86:3117.0 87:240.0 90:32.0 93:32.0 95:19.0 99:386.0 100:1891.0 101:337.0 102:313.0 103:237.0 104:118.0 107:63.0 113:116.0 114:91.0 117:236.0 119:17.0 120:39.0 129:105.0 130:635.0 133:1533.0 134:301.0 135:92.0 137:24.0 142:51.0 146:224.0 147:2196.0 148:431.0 160:346.0 161:56.0 162:41.0 164:29.0 168:16.0 170:19.0 172:67.0 173:3.0 174:3380.0 175:583.0 176:292.0 181:27.0 187:19.0 188:94.0 189:42.0 199:15.0 202:47.0 203:21.0 211:16.0 213:22.0 214:43.0 229:20.0 232:136.0 236:20.0 241:13.0 247:23.0 248:2136.0 249:543.0 250:246.0 251:76.0 258:17.0 265:23.0 275:23.0 276:29.0 277:36.0 279:16.0 283:18.0 289:40.0 290:263.0 291:86.0 292:32.0 297:15.0 298:13.0 301:35.0 305:16.0 306:25.0 315:7.0 323:19.0 330:21.0 333:18.0 334:20.0 335:16.0 341:16.0 346:20.0 357:35.0 366:27.0 371:15.0 390:21.0 403:18.0 406:21.0 408:12.0 421:22.0 427:25.0 442:16.0 450:29.0 458:21.0 460:14.0 464:27.0 466:21.0 475:17.0 476:24.0 480:16.0 486:22.0 488:15.0 491:19.0 492:12.0 495:22.0 499:29.0 248 14815_uridine 14815 861508 85:38.0 86:16.0 87:11.0 88:11.0 89:85.0 91:9.0 92:3.0 93:5.0 94:11.0 95:26.0 97:5.0 99:146.0 100:46.0 101:72.0 103:551.0 104:39.0 105:323.0 107:5.0 109:17.0 110:8.0 111:3.0 112:3.0 113:55.0 114:1.0 115:80.0 116:27.0 117:70.0 118:2.0 119:12.0 121:6.0 122:6.0 125:1.0 127:42.0 129:189.0 130:39.0 131:87.0 132:7.0 133:129.0 134:30.0 135:16.0 136:2.0 137:1.0 138:2.0 140:13.0 141:13.0 142:8.0 143:122.0 145:4.0 146:6.0 147:292.0 148:117.0 149:29.0 152:2.0 153:23.0 154:15.0 155:18.0 157:13.0 161:6.0 163:8.0 165:2.0 167:8.0 168:9.0 169:326.0 170:33.0 171:29.0 172:5.0 173:5.0 174:28.0 175:8.0 179:4.0 180:4.0 183:11.0 184:14.0 185:50.0 186:5.0 187:4.0 188:9.0 189:36.0 191:111.0 192:7.0 193:22.0 197:2.0 200:3.0 202:40.0 203:16.0 204:88.0 205:2.0 206:6.0 207:29.0 208:6.0 211:23.0 213:41.0 215:17.0 216:17.0 217:933.0 218:189.0 219:95.0 222:8.0 223:24.0 224:7.0 225:2.0 226:9.0 227:3.0 228:3.0 229:6.0 230:28.0 231:18.0 232:3.0 233:1.0 235:1.0 237:2.0 239:2.0 240:4.0 242:1.0 243:83.0 244:16.0 245:53.0 247:1.0 249:1.0 250:3.0 253:1.0 257:17.0 258:25.0 259:171.0 260:27.0 261:13.0 262:6.0 263:9.0 265:14.0 267:9.0 269:2.0 271:6.0 276:6.0 278:5.0 279:1.0 280:9.0 281:4.0 282:10.0 283:4.0 284:4.0 289:2.0 294:3.0 299:25.0 301:2.0 302:3.0 304:8.0 310:10.0 311:1.0 312:1.0 314:5.0 315:15.0 316:2.0 317:3.0 322:4.0 324:4.0 325:2.0 326:5.0 329:2.0 330:1.0 331:2.0 333:39.0 334:6.0 335:4.0 336:2.0 337:2.0 338:3.0 339:2.0 341:4.0 343:2.0 346:4.0 348:6.0 351:5.0 357:6.0 363:3.0 364:5.0 367:1.0 368:2.0 369:1.0 370:7.0 372:9.0 374:5.0 375:5.0 377:2.0 378:7.0 379:1.0 381:2.0 385:1.0 386:2.0 387:2.0 392:1.0 393:2.0 394:5.0 396:7.0 397:7.0 403:5.0 406:6.0 408:7.0 410:6.0 412:4.0 413:1.0 415:1.0 417:2.0 418:2.0 419:3.0 422:1.0 425:4.0 429:5.0 431:1.0 433:4.0 435:2.0 436:5.0 437:7.0 438:1.0 442:6.0 443:2.0 446:7.0 448:1.0 450:6.0 451:5.0 454:2.0 457:5.0 460:2.0 461:5.0 463:7.0 464:2.0 465:4.0 467:3.0 474:2.0 478:9.0 481:4.0 489:3.0 491:2.0 492:1.0 493:3.0 494:2.0 499:14.0 500:3.0 217 15_isoleucine 15 359251 85:1549.0 86:3001.0 87:645.0 88:285.0 89:271.0 90:580.0 91:64.0 92:52.0 95:58.0 96:323.0 97:189.0 98:829.0 99:977.0 100:9875.0 101:1414.0 102:3456.0 103:1535.0 104:311.0 105:134.0 111:127.0 112:440.0 113:373.0 114:1505.0 115:765.0 116:651.0 118:274.0 119:292.0 121:53.0 123:27.0 126:183.0 128:1693.0 129:920.0 130:964.0 131:1559.0 132:2068.0 133:2024.0 135:106.0 142:989.0 143:511.0 144:398.0 145:30.0 146:574.0 147:8578.0 148:1508.0 149:662.0 156:373.0 157:197.0 158:52381.0 159:6934.0 160:2388.0 161:185.0 163:238.0 164:66.0 170:687.0 172:61.0 173:85.0 176:60.0 177:63.0 203:328.0 216:73.0 218:7253.0 219:1298.0 220:481.0 221:49.0 230:56.0 232:1531.0 233:402.0 234:118.0 236:15.0 241:39.0 246:59.0 260:235.0 261:90.0 262:28.0 280:11.0 304:35.0 313:31.0 333:17.0 341:27.0 382:28.0 396:22.0 398:26.0 405:17.0 421:16.0 458:22.0 468:21.0 158 150_histidine 150 663790 85:2111.0 91:78.0 92:216.0 93:168.0 96:546.0 97:628.0 98:534.0 99:1060.0 100:5400.0 104:467.0 105:300.0 106:130.0 110:273.0 112:1060.0 113:608.0 116:436.0 117:2105.0 118:701.0 119:507.0 120:167.0 122:47.0 125:129.0 126:813.0 127:915.0 128:1600.0 129:1815.0 130:896.0 131:728.0 132:1925.0 133:1640.0 134:509.0 135:105.0 136:198.0 137:126.0 138:252.0 139:546.0 141:244.0 143:889.0 145:717.0 148:542.0 149:263.0 150:38.0 151:607.0 152:194.0 153:664.0 154:30947.0 155:6332.0 160:721.0 161:329.0 165:96.0 166:687.0 167:138.0 169:155.0 170:104.0 171:258.0 172:403.0 173:391.0 174:2337.0 178:125.0 180:68.0 181:111.0 182:540.0 183:136.0 184:149.0 187:157.0 188:31.0 189:362.0 190:276.0 192:81.0 194:20.0 195:50.0 196:55.0 197:30.0 199:112.0 200:914.0 201:416.0 203:251.0 206:101.0 208:68.0 216:264.0 218:1354.0 220:343.0 222:47.0 223:34.0 224:54.0 225:13.0 226:278.0 227:144.0 234:80.0 235:42.0 238:755.0 240:183.0 241:204.0 242:89.0 243:135.0 246:131.0 247:62.0 250:22.0 254:3323.0 255:999.0 256:483.0 261:49.0 262:65.0 263:70.0 264:76.0 265:21.0 266:222.0 267:68.0 269:87.0 270:34.0 272:90.0 274:280.0 275:123.0 283:30.0 284:27.0 288:42.0 290:29.0 291:53.0 292:26.0 295:33.0 296:33.0 299:251.0 302:122.0 303:67.0 312:40.0 313:55.0 321:65.0 324:18.0 326:27.0 327:20.0 328:127.0 331:53.0 335:27.0 336:17.0 338:25.0 340:35.0 344:29.0 347:41.0 349:19.0 354:14.0 355:20.0 356:236.0 357:93.0 359:23.0 371:81.0 373:25.0 378:22.0 391:132.0 392:36.0 393:51.0 395:43.0 396:24.0 397:24.0 405:10.0 408:27.0 412:24.0 418:33.0 423:28.0 424:20.0 425:23.0 426:18.0 429:38.0 430:27.0 431:42.0 434:87.0 435:76.0 436:72.0 438:35.0 440:19.0 442:36.0 443:23.0 447:41.0 448:14.0 451:12.0 453:43.0 456:23.0 459:33.0 461:27.0 464:22.0 465:25.0 466:34.0 467:15.0 468:40.0 470:20.0 475:21.0 476:18.0 477:27.0 478:20.0 479:14.0 480:33.0 481:24.0 482:34.0 483:14.0 485:14.0 488:20.0 491:19.0 493:36.0 494:20.0 498:19.0 154 16_tyrosine 16 671252 85:101.0 86:1059.0 87:458.0 89:659.0 90:823.0 91:1849.0 92:215.0 93:210.0 94:46.0 95:258.0 97:226.0 100:19804.0 101:2641.0 102:1366.0 103:1633.0 104:401.0 105:1066.0 107:424.0 113:79.0 115:546.0 116:116.0 117:900.0 118:715.0 119:703.0 120:181.0 121:365.0 123:63.0 124:32.0 125:60.0 128:317.0 129:136.0 130:2787.0 131:1381.0 132:2378.0 133:2406.0 135:1073.0 136:172.0 137:139.0 138:33.0 143:94.0 144:252.0 145:158.0 146:529.0 147:10139.0 148:2430.0 149:2353.0 150:476.0 151:422.0 152:115.0 155:37.0 157:84.0 159:227.0 160:438.0 161:90.0 162:242.0 163:1331.0 164:643.0 165:825.0 166:96.0 169:32.0 172:179.0 174:587.0 175:359.0 176:348.0 177:396.0 178:202.0 179:5455.0 180:1140.0 181:342.0 182:138.0 185:45.0 187:17.0 188:124.0 189:122.0 190:402.0 191:190.0 192:1175.0 193:407.0 194:72.0 195:66.0 196:16.0 197:40.0 202:114.0 203:494.0 204:170.0 206:77.0 207:709.0 208:34.0 209:152.0 210:62.0 212:13.0 216:31.0 218:45967.0 219:8644.0 220:3534.0 221:583.0 222:132.0 223:194.0 227:27.0 233:17.0 234:99.0 235:57.0 237:39.0 243:15.0 245:27.0 249:65.0 250:37.0 252:41.0 254:38.0 257:12.0 259:17.0 261:29.0 263:25.0 264:89.0 265:437.0 266:152.0 270:23.0 274:34.0 278:11.0 279:159.0 280:3024.0 281:509.0 282:52.0 283:76.0 284:7.0 285:27.0 287:28.0 290:38.0 292:141.0 303:18.0 308:31.0 318:26.0 323:43.0 324:39.0 328:22.0 330:21.0 334:25.0 335:30.0 345:20.0 348:7.0 353:42.0 354:686.0 355:345.0 356:187.0 357:73.0 358:53.0 359:18.0 364:52.0 366:59.0 367:39.0 368:41.0 369:20.0 370:17.0 371:40.0 372:25.0 376:41.0 377:30.0 379:22.0 380:36.0 381:55.0 382:278.0 383:92.0 384:26.0 385:40.0 391:21.0 398:10.0 400:21.0 418:43.0 419:35.0 423:25.0 424:41.0 426:26.0 438:53.0 440:18.0 442:36.0 464:34.0 466:24.0 474:19.0 476:15.0 483:16.0 484:13.0 218 161_succinic acid 161 370608 85:303.0 87:764.0 88:359.0 89:340.0 91:55.0 92:42.0 95:84.0 98:86.0 99:324.0 101:577.0 102:330.0 103:701.0 104:172.0 105:342.0 106:78.0 107:93.0 111:30.0 113:629.0 114:213.0 115:891.0 116:1231.0 117:1124.0 118:170.0 119:320.0 120:104.0 124:22.0 126:77.0 128:196.0 129:6064.0 130:1045.0 131:1466.0 132:345.0 133:2204.0 135:234.0 136:65.0 137:16.0 138:15.0 142:39.0 143:223.0 145:378.0 147:57887.0 148:9490.0 149:4894.0 150:507.0 151:148.0 152:18.0 153:16.0 155:36.0 156:209.0 157:342.0 158:67.0 160:64.0 161:78.0 162:53.0 163:149.0 164:28.0 170:80.0 171:91.0 172:2182.0 173:1171.0 175:368.0 176:107.0 179:22.0 181:91.0 182:18.0 183:39.0 185:50.0 186:60.0 187:85.0 188:116.0 190:87.0 191:226.0 192:23.0 193:56.0 195:64.0 196:30.0 197:56.0 198:26.0 199:30.0 200:30.0 201:196.0 203:159.0 204:37.0 206:23.0 207:41.0 211:17.0 213:36.0 215:182.0 216:174.0 217:94.0 218:309.0 219:42.0 222:28.0 226:18.0 227:23.0 228:28.0 229:19.0 230:28.0 232:16.0 238:26.0 239:16.0 241:38.0 247:3158.0 248:569.0 249:300.0 250:51.0 251:19.0 256:27.0 259:27.0 261:22.0 262:125.0 264:21.0 267:16.0 268:26.0 270:40.0 272:27.0 278:17.0 279:22.0 280:30.0 281:24.0 284:17.0 287:32.0 288:30.0 290:15.0 291:41.0 292:17.0 296:35.0 308:33.0 310:34.0 313:21.0 314:21.0 315:31.0 316:19.0 325:17.0 326:25.0 327:27.0 330:16.0 331:42.0 332:30.0 335:24.0 336:43.0 340:21.0 343:20.0 346:33.0 347:17.0 348:25.0 350:19.0 351:37.0 352:12.0 356:18.0 364:14.0 369:21.0 371:31.0 372:19.0 374:22.0 375:30.0 376:30.0 378:35.0 379:27.0 383:18.0 387:27.0 390:29.0 391:23.0 392:35.0 397:22.0 398:19.0 399:29.0 400:18.0 406:42.0 409:21.0 410:28.0 413:25.0 414:24.0 415:21.0 416:38.0 417:29.0 418:32.0 419:21.0 420:31.0 421:30.0 422:30.0 423:25.0 424:23.0 425:34.0 426:40.0 429:39.0 431:46.0 432:24.0 434:16.0 435:25.0 436:33.0 437:38.0 438:22.0 439:22.0 440:48.0 441:38.0 442:22.0 443:17.0 444:21.0 445:21.0 446:26.0 447:37.0 448:35.0 449:35.0 450:39.0 451:42.0 453:18.0 455:31.0 457:23.0 458:15.0 459:29.0 461:35.0 462:44.0 463:35.0 464:45.0 465:17.0 466:21.0 468:12.0 469:28.0 472:32.0 473:28.0 477:34.0 478:48.0 480:18.0 484:37.0 486:44.0 488:18.0 489:42.0 490:26.0 491:39.0 492:25.0 493:16.0 494:16.0 496:19.0 497:17.0 499:27.0 247 162_sorbitol 162 667922 85:588.0 86:704.0 88:1768.0 89:8743.0 90:652.0 91:1094.0 92:168.0 93:127.0 94:89.0 97:2807.0 98:1048.0 99:1610.0 100:506.0 101:5089.0 102:848.0 103:48732.0 104:4923.0 105:2703.0 106:215.0 109:509.0 110:185.0 111:1108.0 112:146.0 113:1262.0 114:181.0 115:2342.0 116:957.0 117:28648.0 118:2694.0 119:2266.0 120:260.0 121:427.0 123:238.0 124:184.0 125:365.0 126:341.0 127:1107.0 129:20376.0 130:3176.0 131:6565.0 132:1009.0 133:14598.0 134:2015.0 135:966.0 136:167.0 137:208.0 138:235.0 139:205.0 140:167.0 141:605.0 142:358.0 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109:1304.0 110:198.0 111:8.0 116:61.0 119:166.0 120:79.0 121:303.0 122:20.0 123:105.0 127:98.0 130:438.0 131:212.0 132:26.0 133:15.0 134:340.0 135:3194.0 136:474.0 137:541.0 138:60.0 145:240.0 146:84.0 147:687.0 148:91.0 149:1552.0 150:342.0 151:97.0 159:3.0 160:32.0 161:74.0 162:19.0 163:603.0 164:145.0 165:18040.0 166:2808.0 167:734.0 168:44.0 171:37.0 172:2.0 177:110.0 179:59.0 180:5161.0 181:899.0 182:171.0 184:285.0 230:7.0 235:2.0 240:1.0 243:3.0 244:6.0 246:3.0 247:3.0 255:30.0 271:2.0 283:3.0 291:23.0 298:9.0 302:4.0 303:4.0 305:13.0 306:7.0 309:8.0 326:9.0 334:21.0 352:13.0 363:1.0 370:10.0 372:7.0 401:2.0 414:5.0 441:11.0 445:7.0 457:4.0 461:10.0 470:8.0 165 165_linoleic acid 165 777414 85:1534.0 86:470.0 87:386.0 88:244.0 89:1256.0 90:176.0 91:6885.0 92:1525.0 93:8654.0 94:6153.0 95:14372.0 96:7918.0 97:3896.0 98:518.0 99:829.0 100:115.0 101:441.0 102:166.0 103:421.0 104:436.0 105:2615.0 106:995.0 107:4482.0 108:3591.0 109:5935.0 110:3865.0 111:1556.0 112:178.0 113:194.0 115:385.0 116:1903.0 117:9875.0 118:1041.0 119:1844.0 120:836.0 121:4850.0 122:2280.0 123:2389.0 124:1664.0 125:673.0 126:42.0 127:232.0 128:199.0 129:13385.0 130:1387.0 131:4194.0 132:1042.0 133:1290.0 134:413.0 135:4167.0 136:2766.0 137:1121.0 138:862.0 139:465.0 140:86.0 141:177.0 142:150.0 143:1084.0 144:165.0 145:1654.0 146:352.0 147:623.0 148:351.0 149:2323.0 150:3479.0 151:868.0 152:405.0 153:252.0 155:283.0 156:152.0 157:540.0 158:129.0 159:621.0 160:135.0 161:262.0 162:59.0 163:1049.0 164:1507.0 165:445.0 166:242.0 167:200.0 168:67.0 169:258.0 170:152.0 171:422.0 172:159.0 173:692.0 174:134.0 175:42.0 176:40.0 177:531.0 178:1897.0 179:358.0 180:74.0 181:164.0 183:292.0 184:118.0 185:304.0 186:110.0 187:539.0 188:97.0 189:23.0 190:39.0 191:266.0 192:184.0 193:88.0 195:45.0 196:38.0 197:91.0 198:69.0 199:336.0 201:311.0 202:78.0 203:20.0 205:146.0 206:99.0 207:54.0 208:60.0 209:75.0 211:64.0 213:134.0 214:34.0 215:218.0 216:58.0 218:48.0 219:22.0 220:632.0 221:168.0 224:25.0 225:53.0 226:39.0 227:123.0 228:25.0 229:121.0 230:15.0 233:58.0 234:246.0 235:67.0 239:71.0 241:83.0 242:26.0 243:69.0 244:45.0 245:41.0 246:28.0 253:62.0 254:43.0 255:28.0 257:28.0 260:16.0 261:77.0 262:1657.0 263:366.0 270:13.0 271:26.0 274:35.0 282:34.0 283:24.0 289:15.0 290:62.0 312:28.0 319:22.0 336:90.0 337:1947.0 338:619.0 352:40.0 353:20.0 354:22.0 363:15.0 364:30.0 373:14.0 378:18.0 382:21.0 389:13.0 395:24.0 398:12.0 406:19.0 412:19.0 421:15.0 426:17.0 429:23.0 430:20.0 432:13.0 439:21.0 440:17.0 442:16.0 448:30.0 450:22.0 466:20.0 471:18.0 472:28.0 477:16.0 482:14.0 496:14.0 150 16601_cellobiose 16601 943858 85:424.0 86:76.0 87:169.0 88:161.0 89:4008.0 90:391.0 91:438.0 92:82.0 95:173.0 96:344.0 97:791.0 98:171.0 99:410.0 100:998.0 101:1517.0 102:989.0 103:10221.0 104:1108.0 105:1717.0 106:161.0 107:163.0 108:20.0 109:431.0 110:194.0 111:328.0 112:17.0 113:564.0 114:484.0 115:793.0 116:616.0 117:7803.0 118:721.0 119:664.0 120:249.0 121:132.0 122:61.0 123:80.0 124:9.0 125:126.0 127:102.0 128:193.0 129:7746.0 130:1079.0 131:2132.0 132:520.0 133:4070.0 134:562.0 135:1076.0 136:11.0 138:135.0 139:86.0 140:6.0 141:327.0 142:276.0 143:2162.0 144:312.0 145:474.0 147:18249.0 148:2835.0 149:1963.0 150:241.0 151:185.0 152:68.0 153:202.0 154:72.0 155:1026.0 156:237.0 157:1538.0 158:413.0 159:270.0 160:3683.0 161:651.0 162:217.0 163:744.0 164:179.0 166:55.0 167:128.0 168:140.0 169:3956.0 170:646.0 171:336.0 172:267.0 173:437.0 174:148.0 175:573.0 176:66.0 177:481.0 178:63.0 179:268.0 180:72.0 181:206.0 182:76.0 183:376.0 184:12.0 185:63.0 186:260.0 187:136.0 188:37.0 189:2103.0 190:462.0 191:989.0 192:261.0 193:987.0 194:327.0 195:100.0 196:191.0 197:112.0 198:130.0 199:242.0 200:99.0 201:292.0 202:18.0 203:701.0 204:15464.0 205:6500.0 206:2052.0 207:2147.0 208:573.0 209:59.0 210:444.0 211:87.0 212:95.0 214:65.0 215:381.0 216:589.0 217:8868.0 218:1886.0 219:997.0 220:223.0 221:692.0 222:40.0 223:145.0 224:54.0 226:44.0 227:182.0 228:77.0 229:683.0 230:318.0 231:1280.0 232:425.0 233:629.0 234:219.0 235:111.0 236:27.0 237:77.0 239:154.0 240:86.0 241:156.0 242:169.0 243:1907.0 244:557.0 245:459.0 246:189.0 247:412.0 248:127.0 249:577.0 250:53.0 251:110.0 252:120.0 253:405.0 254:102.0 255:324.0 256:179.0 257:300.0 258:85.0 259:121.0 260:38.0 261:105.0 262:169.0 263:72.0 264:64.0 265:418.0 266:165.0 267:587.0 268:277.0 269:343.0 270:102.0 271:1766.0 272:354.0 273:189.0 275:52.0 276:129.0 277:71.0 278:21.0 279:57.0 280:32.0 281:643.0 282:23.0 283:171.0 284:19.0 285:22.0 286:39.0 287:53.0 288:31.0 289:174.0 290:37.0 291:184.0 292:80.0 293:69.0 295:165.0 296:58.0 297:88.0 298:13.0 299:13.0 300:348.0 301:69.0 302:87.0 303:50.0 304:203.0 305:413.0 306:109.0 307:124.0 308:40.0 309:55.0 310:25.0 311:98.0 313:88.0 314:54.0 317:225.0 318:93.0 319:1899.0 320:661.0 321:290.0 322:25.0 323:49.0 324:6.0 325:175.0 326:6.0 327:434.0 328:102.0 330:39.0 331:509.0 332:264.0 333:178.0 334:58.0 337:13.0 338:9.0 339:107.0 340:64.0 341:398.0 342:126.0 343:216.0 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88:7002.0 89:91105.0 90:8121.0 91:4369.0 92:716.0 93:150.0 94:1908.0 95:1008.0 96:977.0 97:1171.0 98:3992.0 99:8420.0 100:38767.0 101:35431.0 102:21246.0 103:1062555.0 104:101843.0 105:73545.0 106:4592.0 107:540.0 108:433.0 109:560.0 110:342.0 111:3649.0 112:4750.0 113:10117.0 114:23592.0 115:17668.0 116:13805.0 117:109230.0 118:11975.0 119:17425.0 120:1771.0 121:1068.0 122:264.0 123:223.0 124:490.0 125:776.0 126:5174.0 127:6186.0 128:8002.0 129:97814.0 130:22694.0 131:49810.0 132:9013.0 133:126184.0 134:16740.0 135:11510.0 136:1035.0 137:500.0 138:344.0 139:493.0 140:3254.0 141:3357.0 142:9748.0 143:22182.0 144:4227.0 145:17074.0 146:3198.0 147:375117.0 148:57262.0 149:40239.0 150:4364.0 151:3292.0 152:1340.0 153:638.0 154:1442.0 155:901.0 156:2535.0 157:6798.0 158:14162.0 159:5779.0 160:88878.0 161:22083.0 162:5650.0 163:18841.0 164:2923.0 165:1841.0 166:742.0 167:788.0 168:8599.0 169:3141.0 170:3149.0 171:1006.0 172:5705.0 173:8342.0 174:13824.0 175:13239.0 176:2858.0 177:4854.0 178:983.0 179:658.0 180:226.0 181:294.0 182:780.0 183:469.0 184:1475.0 185:1038.0 186:2184.0 187:1389.0 188:1498.0 189:153465.0 190:31254.0 191:45785.0 192:7932.0 193:3678.0 194:628.0 195:210.0 196:224.0 197:244.0 198:6099.0 199:1204.0 200:4140.0 201:7215.0 202:2512.0 203:5654.0 204:34320.0 205:40466.0 206:9207.0 207:7314.0 208:1426.0 209:633.0 210:149.0 212:74.0 213:144.0 214:1492.0 215:2974.0 216:12410.0 217:452771.0 218:98512.0 219:44043.0 220:7266.0 221:9298.0 222:2680.0 223:805.0 224:547.0 226:505.0 227:230.0 228:2641.0 229:1503.0 230:2441.0 231:8395.0 232:5639.0 233:28087.0 234:10537.0 235:3493.0 236:765.0 237:380.0 238:138.0 239:4.0 240:1827.0 241:924.0 242:4523.0 243:2187.0 244:1605.0 245:628.0 246:2106.0 247:655.0 248:3408.0 249:755.0 250:373.0 251:248.0 252:219.0 253:185.0 254:241.0 255:331.0 256:3267.0 257:3399.0 258:1663.0 259:853.0 260:650.0 261:564.0 262:10720.0 263:3160.0 264:1409.0 265:884.0 266:337.0 267:347.0 268:197.0 269:249.0 270:271.0 271:264.0 272:2570.0 273:753.0 274:5826.0 275:1595.0 276:872.0 277:34584.0 278:10808.0 279:5827.0 280:1564.0 281:536.0 282:286.0 283:236.0 284:153.0 285:130.0 286:34.0 287:39.0 288:2420.0 289:726.0 290:801.0 291:3553.0 292:1079.0 293:635.0 294:186.0 295:68.0 296:25.0 298:31.0 299:4.0 301:86.0 302:522.0 303:229.0 304:371.0 305:2483.0 306:1911.0 307:136807.0 308:40304.0 309:20680.0 310:4279.0 311:1105.0 312:81.0 313:167.0 314:138.0 315:217.0 316:1467.0 317:526.0 318:724.0 319:1128.0 320:646.0 321:177.0 322:41.0 323:45.0 324:4.0 325:3.0 327:13.0 328:21.0 329:21.0 330:1832.0 331:2180.0 332:1221.0 333:603.0 334:141.0 335:15.0 336:43.0 337:24.0 339:27.0 341:17.0 342:10.0 344:19.0 345:27.0 346:252.0 347:21.0 348:14.0 349:18.0 353:35.0 354:19.0 360:8.0 361:25.0 362:2533.0 363:773.0 364:819.0 365:175.0 366:38.0 368:5.0 370:3.0 371:16.0 372:20.0 377:11.0 378:69.0 380:30.0 385:1.0 387:4.0 388:5.0 394:9.0 399:4.0 401:21.0 404:25.0 407:2.0 409:12.0 417:25.0 419:11.0 420:205.0 421:262.0 422:114.0 423:89.0 435:2.0 436:43.0 437:30.0 438:8.0 439:26.0 446:14.0 452:522.0 453:195.0 454:33.0 455:22.0 460:12.0 465:1.0 466:36.0 467:703.0 468:366.0 469:175.0 470:52.0 471:3.0 472:23.0 481:14.0 483:34.0 489:11.0 500:1.0 217 1663_hypoxanthine 1663 619128 85:17650.0 86:12163.0 87:3151.0 88:967.0 89:1497.0 90:1362.0 91:1011.0 92:2327.0 93:2705.0 94:2109.0 95:8249.0 96:4731.0 97:4274.0 98:10523.0 99:10631.0 100:18705.0 101:4328.0 102:2856.0 103:1825.0 104:825.0 105:732.0 106:877.0 107:1246.0 108:1010.0 109:1929.0 110:7804.0 111:16720.0 112:8157.0 113:3184.0 114:2386.0 115:2768.0 116:1782.0 117:3672.0 118:1096.0 119:3047.0 120:887.0 121:1152.0 122:1601.0 123:7675.0 124:5924.0 125:27347.0 126:4669.0 127:1631.0 128:4687.0 129:757.0 130:3064.0 131:18005.0 132:5577.0 133:6437.0 134:1529.0 135:1034.0 136:2233.0 137:1880.0 138:8120.0 139:6776.0 140:1825.0 141:1929.0 142:12534.0 143:3438.0 144:1712.0 145:493.0 146:711.0 147:19727.0 148:4999.0 149:2359.0 150:4433.0 151:2592.0 152:7155.0 153:4871.0 154:2331.0 155:1643.0 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91:506.0 92:1505.0 94:764.0 95:4144.0 96:5848.0 97:5576.0 98:15495.0 99:393975.0 100:73814.0 101:20186.0 102:4727.0 103:6833.0 104:172.0 105:13750.0 106:1345.0 107:925.0 108:1437.0 109:10645.0 110:283.0 111:5609.0 112:2648.0 113:93747.0 114:5531.0 115:7598.0 116:2368.0 117:12999.0 118:2279.0 119:775.0 120:2223.0 122:686.0 123:297.0 124:2309.0 125:971.0 126:96222.0 127:13714.0 128:5451.0 129:2788.0 130:3939.0 131:33059.0 132:5690.0 133:18339.0 135:366.0 137:864.0 138:343.0 139:1665.0 140:2521.0 141:2370.0 142:2334.0 143:1476.0 144:1706.0 145:304.0 146:1049.0 147:252735.0 148:32857.0 149:14766.0 150:1778.0 151:18.0 152:369.0 153:5915.0 154:824.0 155:695.0 156:3746.0 157:6363.0 158:6364.0 159:1198.0 160:739.0 161:753.0 162:172.0 163:268.0 166:2358.0 167:4506.0 168:1438.0 169:7714.0 170:878.0 171:1030.0 172:1931.0 174:2587.0 175:677.0 176:59.0 178:578.0 180:688.0 181:2139.0 182:1820.0 183:6219.0 185:7086.0 186:25.0 187:1541.0 188:44.0 189:56.0 190:42.0 193:469.0 194:368.0 195:569.0 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610734 85:3431.0 86:914.0 87:3880.0 88:915.0 89:5026.0 90:691.0 91:1326.0 92:1132.0 93:2666.0 94:226.0 95:1037.0 96:384.0 97:379.0 98:1535.0 99:3192.0 100:1292.0 101:64790.0 102:7687.0 103:9445.0 104:1320.0 105:3744.0 106:1380.0 107:1485.0 108:512.0 109:573.0 110:30.0 111:263.0 112:119.0 113:943.0 114:479.0 115:8290.0 116:19606.0 117:11090.0 118:1967.0 119:6002.0 120:1081.0 121:3497.0 122:403.0 123:1251.0 124:178.0 125:236.0 126:73.0 127:41.0 128:291.0 129:3967.0 130:558.0 131:12951.0 132:2494.0 133:54262.0 134:7576.0 135:16069.0 136:1794.0 137:5544.0 138:687.0 139:701.0 140:123.0 141:230.0 142:538.0 143:24022.0 144:3549.0 145:3505.0 146:471.0 147:146921.0 148:23210.0 149:14851.0 150:1545.0 151:5411.0 152:651.0 153:1612.0 154:389.0 155:421.0 156:516.0 157:411.0 158:116.0 159:668.0 160:122.0 161:1066.0 162:176.0 163:1771.0 164:307.0 165:1867.0 166:382.0 167:1721.0 168:341.0 169:377.0 170:476.0 171:370.0 172:134.0 173:407.0 174:160.0 175:943.0 176:281.0 177:1666.0 178:406.0 179:2193.0 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112:1444.0 113:1770.0 114:861.0 115:3085.0 116:3634.0 117:19400.0 118:2401.0 119:3534.0 120:636.0 121:1755.0 122:419.0 123:1026.0 124:632.0 125:942.0 126:4905.0 127:2074.0 128:772.0 129:8410.0 130:2343.0 131:8266.0 132:1452.0 133:27985.0 134:3395.0 135:2012.0 136:259.0 137:632.0 138:244.0 139:1111.0 140:703.0 141:981.0 142:49547.0 143:11199.0 144:3178.0 145:1077.0 146:771.0 147:54305.0 148:7928.0 149:5931.0 150:452.0 151:575.0 152:518.0 153:1390.0 154:911.0 155:551.0 156:867.0 157:2625.0 158:862.0 159:654.0 160:132.0 161:359.0 163:2683.0 164:408.0 165:380.0 166:363.0 167:3730.0 168:1362.0 169:3253.0 170:1572.0 171:1084.0 172:879.0 173:646.0 174:599.0 175:1041.0 176:217.0 177:246.0 178:20.0 179:275.0 180:223.0 181:598.0 182:331.0 183:473.0 184:279.0 185:757.0 186:193.0 187:226.0 188:46.0 189:2511.0 190:718.0 191:3181.0 192:667.0 193:2697.0 194:630.0 195:687.0 196:265.0 197:907.0 198:1286.0 199:4191.0 200:1611.0 201:3973.0 202:571.0 203:850.0 204:2091.0 205:7239.0 206:1334.0 207:851.0 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334:1154.0 335:507.0 336:72.0 346:181.0 347:157.0 348:7.0 352:9.0 362:2.0 373:20.0 374:50.0 375:12.0 377:1.0 393:245.0 394:108.0 404:110.0 405:1050.0 406:479.0 407:158.0 408:44.0 421:569.0 422:191.0 423:69.0 424:14.0 427:5.0 466:16.0 475:2.0 478:2.0 231 1679_isothreonic acid 1679 489385 85:304.0 86:391.0 88:631.0 89:4158.0 90:414.0 91:179.0 92:233.0 93:215.0 94:45.0 96:145.0 97:116.0 98:15.0 99:816.0 100:110.0 101:2762.0 102:21122.0 103:20966.0 104:2634.0 105:1408.0 106:64.0 107:560.0 108:290.0 109:71.0 110:395.0 111:105.0 113:1032.0 114:253.0 115:1508.0 116:877.0 117:33848.0 118:3267.0 119:2907.0 120:140.0 121:96.0 122:8.0 124:18.0 125:13.0 127:531.0 128:50.0 129:6995.0 130:17816.0 131:9728.0 132:2127.0 133:13693.0 134:2261.0 135:1252.0 136:37.0 137:70.0 141:279.0 143:5323.0 144:512.0 145:511.0 146:508.0 147:89541.0 148:14484.0 149:8621.0 150:1069.0 151:554.0 152:43.0 153:93.0 154:4.0 155:7.0 157:903.0 159:246.0 161:501.0 162:71.0 163:1006.0 164:236.0 165:241.0 166:13.0 167:3.0 168:40.0 169:26.0 170:89.0 172:176.0 173:230.0 175:799.0 176:118.0 177:3522.0 178:628.0 179:286.0 180:26.0 181:74.0 185:128.0 186:51.0 187:91.0 188:52.0 189:4147.0 190:923.0 191:1643.0 192:325.0 193:329.0 194:77.0 195:56.0 199:88.0 200:80.0 201:125.0 202:1.0 203:1318.0 204:2518.0 205:17229.0 206:3365.0 207:2844.0 208:477.0 209:217.0 210:57.0 211:49.0 212:26.0 213:1.0 215:166.0 216:68.0 217:14540.0 218:2990.0 219:1780.0 220:18784.0 221:7856.0 222:2654.0 223:859.0 224:149.0 225:56.0 226:73.0 229:1.0 230:18.0 231:282.0 232:47.0 233:93.0 234:31.0 235:42.0 237:190.0 238:29.0 239:10.0 243:2.0 244:29.0 245:1906.0 246:476.0 247:394.0 248:48.0 249:40.0 251:6.0 252:11.0 253:11.0 255:6.0 257:1.0 262:17.0 263:57.0 265:42.0 267:123.0 268:27.0 270:12.0 276:37.0 277:610.0 278:168.0 279:84.0 281:28.0 283:114.0 290:42.0 291:2248.0 292:22023.0 293:6532.0 294:3129.0 295:766.0 296:201.0 297:48.0 300:12.0 305:306.0 306:53.0 307:114.0 309:3.0 312:27.0 313:2.0 319:1701.0 320:478.0 321:327.0 322:69.0 323:68.0 325:132.0 328:1.0 334:26.0 339:20.0 341:97.0 342:22.0 343:12.0 347:2.0 349:1.0 351:1.0 354:22.0 355:72.0 356:1.0 361:7.0 364:30.0 370:1.0 371:73.0 372:66.0 373:46.0 379:358.0 380:187.0 381:71.0 382:9.0 390:2.0 400:4.0 408:17.0 409:469.0 410:241.0 411:68.0 412:15.0 418:19.0 419:1.0 427:17.0 431:24.0 448:47.0 450:22.0 467:17.0 468:1.0 472:23.0 475:13.0 480:2.0 492:6.0 292 1680_pentadecanoic acid 1680 674647 85:1079.0 86:936.0 87:668.0 88:311.0 89:1235.0 90:252.0 91:363.0 92:121.0 93:924.0 94:23.0 95:2663.0 96:207.0 97:1950.0 98:1682.0 99:1097.0 100:375.0 101:739.0 102:111.0 103:398.0 105:1755.0 106:21.0 107:560.0 109:714.0 110:435.0 111:832.0 112:533.0 113:210.0 114:84.0 115:386.0 116:3014.0 117:51588.0 118:5064.0 119:2265.0 120:57.0 121:350.0 122:9.0 123:205.0 124:23.0 125:265.0 126:192.0 127:184.0 128:189.0 129:22324.0 130:2896.0 131:8800.0 132:18309.0 133:3112.0 134:1429.0 135:121.0 136:2.0 137:75.0 139:96.0 140:121.0 141:128.0 142:1.0 143:1766.0 144:192.0 145:9487.0 146:1252.0 148:1.0 151:65.0 152:13.0 153:73.0 154:130.0 155:53.0 156:74.0 157:376.0 158:128.0 159:1112.0 160:219.0 161:10.0 165:16.0 167:6.0 168:140.0 169:52.0 170:27.0 171:831.0 172:176.0 173:320.0 174:1137.0 175:378.0 176:27.0 179:60.0 180:8.0 181:130.0 184:180.0 185:1045.0 186:101.0 187:580.0 188:187.0 189:29.0 190:30.0 195:37.0 199:271.0 200:101.0 201:1774.0 202:282.0 203:68.0 204:87.0 205:64.0 213:258.0 214:43.0 215:387.0 216:47.0 218:19.0 219:9.0 227:132.0 228:23.0 229:242.0 230:12.0 241:100.0 242:31.0 243:162.0 244:32.0 249:22.0 255:420.0 256:25.0 257:246.0 258:22.0 269:31.0 270:32.0 271:439.0 272:72.0 274:13.0 276:22.0 285:72.0 287:12.0 298:16.0 299:6916.0 300:1721.0 301:505.0 302:25.0 303:38.0 314:347.0 315:160.0 317:30.0 320:2.0 322:4.0 358:11.0 361:16.0 365:13.0 372:8.0 376:6.0 382:2.0 394:31.0 396:1.0 409:11.0 417:37.0 439:10.0 441:12.0 449:3.0 463:12.0 476:12.0 499:21.0 117 16823_enolpyruvate NIST 16823 234394 85:72.0 86:319.0 87:712.0 88:700.0 89:28.0 90:24.0 91:16.0 92:32.0 93:3.0 97:16.0 99:126.0 100:271.0 101:92.0 102:495.0 103:57.0 104:47.0 105:38.0 106:90.0 107:819.0 108:294.0 110:702.0 111:342.0 113:543.0 114:39.0 115:324.0 118:82.0 120:96.0 124:11.0 125:301.0 126:257.0 127:693.0 130:102.0 131:827.0 133:419.0 134:585.0 136:215.0 137:19.0 143:30.0 144:43.0 146:3.0 147:26175.0 148:4289.0 149:2351.0 150:45.0 151:100.0 152:39.0 153:16.0 166:2.0 168:74.0 171:16.0 173:92.0 180:3.0 184:366.0 185:177.0 186:52.0 189:740.0 190:150.0 198:30.0 199:85.0 201:124.0 202:1.0 209:13.0 213:32.0 215:31.0 217:3207.0 218:576.0 219:243.0 228:13.0 244:71.0 245:10.0 246:7.0 253:4.0 255:35.0 262:4.0 266:6.0 269:4.0 274:14.0 277:3.0 280:18.0 288:14.0 318:18.0 326:4.0 331:11.0 332:3.0 336:24.0 340:10.0 346:2.0 359:21.0 361:4.0 363:1.0 367:7.0 376:18.0 379:3.0 380:1.0 382:2.0 385:12.0 387:2.0 391:5.0 395:1.0 399:4.0 402:10.0 404:5.0 407:2.0 412:1.0 413:20.0 414:3.0 415:1.0 427:1.0 429:22.0 431:6.0 435:2.0 441:13.0 445:2.0 448:2.0 449:14.0 457:10.0 464:9.0 466:3.0 468:1.0 469:19.0 497:7.0 217 16826_citramalic acid 16826 456203 85:1091.0 86:111.0 98:257.0 99:18.0 100:60.0 101:12.0 110:204.0 113:1.0 114:49.0 115:1851.0 116:213.0 117:396.0 130:232.0 131:61.0 132:133.0 133:455.0 134:36.0 142:43.0 143:196.0 145:620.0 147:3368.0 148:292.0 149:356.0 157:133.0 163:393.0 172:749.0 173:94.0 184:92.0 185:314.0 189:130.0 190:22.0 203:434.0 204:37.0 205:70.0 214:79.0 215:43.0 217:200.0 221:78.0 222:7.0 230:23.0 231:379.0 232:100.0 233:195.0 247:2042.0 248:406.0 249:90.0 259:394.0 260:74.0 261:33.0 262:3.0 276:5.0 277:34.0 291:5.0 292:25.0 321:160.0 322:80.0 323:53.0 331:1.0 349:65.0 351:6.0 355:9.0 364:17.0 365:15.0 366:26.0 367:25.0 371:20.0 375:7.0 381:4.0 383:49.0 384:23.0 391:8.0 398:26.0 400:1.0 402:14.0 403:12.0 404:4.0 405:5.0 414:2.0 419:19.0 420:15.0 431:31.0 432:4.0 436:2.0 441:21.0 456:24.0 467:13.0 471:5.0 473:4.0 474:9.0 475:31.0 478:5.0 483:1.0 484:7.0 489:11.0 247 1687_glycerol-alpha-phosphate 1687 590747 85:750.0 87:846.0 88:468.0 89:1193.0 90:82.0 91:168.0 92:114.0 93:127.0 94:26.0 95:116.0 97:212.0 98:232.0 99:483.0 101:13348.0 102:1461.0 103:9463.0 104:991.0 105:689.0 106:35.0 107:239.0 108:36.0 109:51.0 111:385.0 113:2220.0 114:284.0 115:2195.0 116:2414.0 117:2066.0 118:407.0 119:755.0 120:59.0 121:349.0 122:90.0 123:101.0 125:30.0 127:73.0 129:6764.0 130:1365.0 131:6671.0 132:512.0 133:8224.0 134:1367.0 135:2622.0 136:210.0 137:734.0 138:89.0 139:7.0 141:48.0 143:79.0 145:207.0 147:13466.0 148:1827.0 149:1914.0 150:411.0 151:828.0 152:115.0 153:225.0 154:44.0 155:238.0 156:30.0 157:42.0 158:46.0 159:125.0 160:8.0 161:19.0 162:61.0 163:637.0 164:103.0 165:326.0 166:39.0 167:230.0 168:40.0 169:94.0 170:4.0 171:62.0 175:211.0 176:90.0 177:289.0 178:57.0 179:257.0 180:82.0 181:999.0 182:194.0 183:566.0 184:207.0 189:460.0 190:52.0 191:1442.0 192:315.0 193:1121.0 194:231.0 195:1137.0 196:145.0 197:518.0 199:126.0 201:3.0 202:123.0 203:1065.0 204:682.0 205:689.0 206:138.0 207:3057.0 208:603.0 209:466.0 210:145.0 211:6976.0 212:1053.0 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334:23.0 335:66.0 336:28.0 338:45.0 339:443.0 340:142.0 341:76.0 342:1809.0 343:4212.0 344:1389.0 345:651.0 346:109.0 350:6.0 360:1.0 365:26.0 367:2.0 369:10.0 370:2.0 371:8.0 378:69.0 379:46.0 380:127.0 381:49.0 383:2.0 384:1.0 387:5.0 388:1.0 394:1.0 397:11.0 415:49.0 416:13.0 420:1.0 422:13.0 423:7.0 430:2.0 434:25.0 436:16.0 447:2.0 485:11.0 489:1.0 328 16968_azelaic acid 16968 610651 85:2096.0 86:1225.0 87:259.0 88:843.0 89:1168.0 90:288.0 91:1560.0 93:4695.0 95:1119.0 96:642.0 97:6057.0 98:933.0 99:2012.0 101:684.0 102:246.0 105:938.0 106:105.0 107:5683.0 108:250.0 109:2432.0 110:689.0 111:6645.0 112:391.0 114:111.0 115:730.0 116:6544.0 117:17178.0 118:1477.0 119:992.0 123:2641.0 124:3727.0 125:2141.0 126:84.0 128:71.0 129:18035.0 130:2209.0 131:2007.0 132:1359.0 133:2234.0 134:134.0 135:1966.0 136:150.0 137:174.0 139:255.0 143:1754.0 144:584.0 145:2153.0 146:219.0 147:8702.0 148:1308.0 149:20836.0 150:3244.0 151:2729.0 152:10333.0 153:2802.0 154:178.0 155:621.0 156:672.0 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325:12.0 326:2.0 330:26.0 331:33.0 332:7.0 333:1.0 334:15.0 335:15.0 339:3.0 340:1.0 341:27.0 343:31.0 344:10.0 345:56.0 346:36.0 359:51.0 361:32.0 363:152.0 365:42.0 366:4.0 371:25.0 375:22.0 378:52.0 385:2.0 386:12.0 387:28.0 388:4.0 390:1.0 393:1.0 394:1.0 408:1.0 409:4.0 410:3.0 417:15.0 418:5.0 424:1.0 432:1.0 443:8.0 446:6.0 447:10.0 448:4.0 449:25.0 450:2.0 452:2.0 461:12.0 463:17.0 464:12.0 465:8.0 466:2.0 472:18.0 486:7.0 489:13.0 490:16.0 497:8.0 498:7.0 499:10.0 317 1698_5-aminovaleric acid 1698 536657 85:189.0 86:2159.0 87:251.0 97:75.0 98:42.0 99:58.0 100:1189.0 101:180.0 102:422.0 107:116.0 109:25.0 112:223.0 114:52.0 115:46.0 116:194.0 117:280.0 123:29.0 125:1.0 126:134.0 128:21.0 129:828.0 130:249.0 131:289.0 132:190.0 133:45.0 135:16.0 146:99.0 148:253.0 152:19.0 154:184.0 156:230.0 157:40.0 158:71.0 160:40.0 170:64.0 172:165.0 174:8981.0 175:1547.0 176:642.0 177:54.0 186:31.0 188:42.0 192:384.0 193:33.0 195:1.0 198:27.0 200:625.0 201:121.0 202:86.0 218:6.0 219:369.0 220:128.0 221:13.0 226:6.0 228:130.0 230:59.0 232:4.0 241:35.0 244:82.0 260:20.0 272:53.0 275:35.0 312:6.0 318:150.0 319:46.0 320:50.0 325:6.0 355:3.0 358:2.0 383:6.0 389:15.0 399:1.0 407:18.0 415:3.0 425:3.0 439:16.0 491:2.0 174 1712_citrulline 1712 621404 85:138.0 86:318.0 89:143.0 90:82.0 91:114.0 92:81.0 95:62.0 97:103.0 98:473.0 99:700.0 100:1254.0 101:216.0 102:109.0 103:52.0 104:50.0 107:195.0 108:36.0 109:94.0 110:101.0 111:43.0 113:64.0 114:128.0 115:311.0 116:35.0 117:38.0 118:54.0 120:48.0 122:24.0 124:39.0 126:87.0 127:262.0 128:173.0 129:140.0 130:668.0 132:139.0 133:229.0 134:91.0 138:26.0 140:306.0 141:1077.0 142:2134.0 143:284.0 144:260.0 146:40.0 148:41.0 154:101.0 155:180.0 156:166.0 157:5040.0 158:728.0 159:259.0 160:31.0 161:5.0 166:124.0 168:45.0 169:63.0 170:68.0 171:389.0 172:369.0 173:104.0 178:23.0 183:59.0 185:5.0 187:198.0 188:55.0 193:561.0 199:41.0 205:66.0 208:143.0 215:8.0 216:163.0 218:204.0 220:99.0 231:23.0 240:17.0 241:1.0 244:154.0 245:45.0 250:177.0 254:65.0 255:17.0 256:1415.0 257:323.0 258:102.0 264:8.0 270:294.0 271:29.0 273:80.0 280:53.0 305:1.0 311:24.0 313:15.0 320:6.0 332:11.0 347:3.0 352:9.0 354:17.0 358:25.0 372:15.0 375:16.0 387:43.0 401:34.0 449:23.0 451:16.0 462:17.0 484:2.0 157 1714_spermidine 1714 792924 86:2249.0 87:97.0 88:90.0 98:50.0 99:209.0 100:1315.0 101:269.0 102:322.0 103:48.0 112:85.0 114:376.0 115:652.0 116:3899.0 117:324.0 118:176.0 123:24.0 126:189.0 128:490.0 129:447.0 130:615.0 131:43.0 132:12.0 140:80.0 142:727.0 144:4737.0 145:505.0 146:609.0 154:339.0 155:8.0 156:1970.0 157:646.0 158:219.0 159:4.0 160:1566.0 161:106.0 162:47.0 168:3.0 170:695.0 171:46.0 172:1272.0 173:230.0 174:2750.0 175:435.0 176:137.0 183:4.0 186:220.0 188:58.0 200:279.0 201:380.0 202:18.0 214:206.0 217:55.0 243:7.0 245:56.0 255:8.0 144 1718_fumaric acid 1718 390775 85:548.0 86:69.0 87:80.0 91:65.0 95:3.0 98:3.0 99:1019.0 100:367.0 101:132.0 102:16.0 106:51.0 108:90.0 109:6.0 110:342.0 111:15.0 112:22.0 113:317.0 114:50.0 115:339.0 117:96.0 118:146.0 123:15.0 124:26.0 126:329.0 128:72.0 130:753.0 131:100.0 132:16.0 133:591.0 135:211.0 136:56.0 140:10.0 141:129.0 142:57.0 143:926.0 144:124.0 146:48.0 147:5175.0 148:610.0 149:671.0 151:31.0 152:3.0 153:7.0 154:1.0 155:246.0 156:1.0 157:196.0 158:5.0 166:39.0 169:24.0 170:40.0 171:105.0 182:26.0 183:22.0 184:10.0 185:26.0 188:30.0 199:95.0 204:3.0 217:157.0 218:17.0 219:26.0 221:1125.0 222:195.0 223:103.0 225:23.0 240:18.0 241:564.0 242:77.0 243:8.0 245:3376.0 246:613.0 247:294.0 248:47.0 249:50.0 251:31.0 255:163.0 256:168.0 257:4.0 258:8.0 263:10.0 264:16.0 265:1.0 267:403.0 268:82.0 269:61.0 272:10.0 281:295.0 282:105.0 283:42.0 296:1.0 300:77.0 311:6.0 312:1.0 314:82.0 323:3.0 334:6.0 335:8.0 340:32.0 347:13.0 354:1.0 355:147.0 356:54.0 358:13.0 376:1.0 389:19.0 394:2.0 403:4.0 406:25.0 415:15.0 419:30.0 424:12.0 431:2.0 433:9.0 443:22.0 444:15.0 448:10.0 477:16.0 245 172_threonic acid 172 497572 86:78.0 87:500.0 88:136.0 89:1131.0 90:139.0 91:82.0 95:22.0 98:80.0 99:146.0 101:890.0 102:4177.0 103:5003.0 104:619.0 105:374.0 111:46.0 112:15.0 113:201.0 115:359.0 116:115.0 117:5872.0 118:496.0 119:430.0 121:39.0 128:64.0 129:1372.0 130:3055.0 131:1659.0 132:232.0 133:2893.0 134:460.0 135:237.0 136:30.0 141:29.0 143:619.0 144:80.0 145:104.0 147:16627.0 148:2848.0 149:2024.0 152:34.0 157:244.0 161:71.0 162:29.0 163:159.0 164:34.0 165:37.0 171:24.0 173:41.0 175:180.0 176:24.0 177:400.0 178:76.0 184:25.0 185:30.0 189:700.0 190:172.0 191:229.0 192:57.0 193:39.0 203:215.0 204:454.0 205:2260.0 206:388.0 207:395.0 208:72.0 209:29.0 214:15.0 217:2303.0 218:469.0 219:305.0 220:2310.0 221:932.0 222:293.0 223:98.0 224:18.0 229:33.0 231:44.0 234:15.0 242:24.0 243:17.0 245:385.0 246:72.0 254:22.0 265:16.0 277:34.0 279:33.0 281:18.0 290:15.0 291:317.0 292:2910.0 293:822.0 294:204.0 296:29.0 297:20.0 305:68.0 319:223.0 321:78.0 376:19.0 379:47.0 410:52.0 421:21.0 447:20.0 448:17.0 465:13.0 469:21.0 478:30.0 480:29.0 292 1723_phosphoethanolamine 1723 603912 85:20.0 86:924.0 87:173.0 88:41.0 90:8.0 91:76.0 95:36.0 96:1.0 97:39.0 99:9.0 100:4477.0 101:327.0 102:26.0 107:64.0 109:53.0 113:35.0 114:2019.0 115:1275.0 116:271.0 117:260.0 119:44.0 120:5.0 123:18.0 129:2.0 130:467.0 131:202.0 132:82.0 133:763.0 134:65.0 135:351.0 136:14.0 137:122.0 140:1.0 143:21.0 144:14.0 146:1.0 147:618.0 148:30.0 151:53.0 158:77.0 160:1.0 161:3.0 162:9.0 163:5.0 164:2.0 165:27.0 167:7.0 171:18.0 172:2475.0 173:409.0 174:2663.0 175:353.0 176:157.0 179:10.0 181:67.0 182:1.0 183:20.0 184:62.0 185:5.0 187:173.0 188:1528.0 189:339.0 190:100.0 191:164.0 193:278.0 194:42.0 195:90.0 198:1.0 200:8.0 201:1.0 204:8.0 205:28.0 207:170.0 211:600.0 212:32.0 216:18.0 217:16.0 220:12.0 221:13.0 224:11.0 225:238.0 229:1.0 230:3.0 232:4.0 234:1.0 246:7.0 250:25.0 251:2.0 258:1.0 261:1.0 263:1.0 265:4.0 266:7.0 267:30.0 271:3.0 276:13.0 278:6.0 279:7.0 283:131.0 285:6.0 291:1.0 295:1.0 298:65.0 299:3203.0 300:791.0 301:337.0 302:28.0 311:7.0 314:219.0 315:436.0 316:99.0 317:16.0 323:12.0 328:376.0 329:37.0 330:2.0 346:1.0 352:5.0 367:1.0 376:5.0 381:6.0 410:3.0 414:70.0 416:2.0 418:4.0 434:1.0 471:1.0 477:1.0 479:1.0 485:4.0 487:1.0 500:5.0 299 1726_adenosine-5-monophosphate 1726 1038688 89:44.0 90:17.0 95:28.0 99:134.0 100:1.0 101:125.0 103:17.0 109:23.0 111:98.0 113:1.0 114:17.0 115:10.0 121:48.0 125:109.0 129:374.0 133:166.0 137:3.0 140:48.0 141:68.0 142:69.0 143:116.0 147:698.0 151:31.0 153:46.0 156:6.0 157:17.0 158:16.0 162:7.0 164:3.0 165:144.0 169:2803.0 170:341.0 171:190.0 178:12.0 181:16.0 184:73.0 189:15.0 192:650.0 193:195.0 195:98.0 197:2.0 206:112.0 207:185.0 208:286.0 209:86.0 210:40.0 211:347.0 212:12.0 215:24.0 222:15.0 225:66.0 227:15.0 229:16.0 230:892.0 231:110.0 232:55.0 235:7.0 236:357.0 243:333.0 244:132.0 246:14.0 248:4.0 249:14.0 253:31.0 257:7.0 258:346.0 259:77.0 260:7.0 264:39.0 265:12.0 267:2.0 278:20.0 279:34.0 280:80.0 299:403.0 300:107.0 302:14.0 306:21.0 315:1318.0 316:252.0 317:143.0 322:71.0 328:10.0 337:111.0 350:20.0 355:65.0 361:2.0 366:2.0 371:8.0 372:6.0 373:40.0 376:25.0 382:101.0 383:3.0 384:4.0 387:59.0 389:15.0 401:12.0 404:12.0 413:4.0 446:1.0 463:8.0 466:11.0 467:8.0 476:12.0 169 1727_glutaric acid 1727 421260 88:191.0 91:36.0 97:767.0 98:37.0 99:40.0 100:340.0 101:236.0 102:261.0 103:344.0 104:57.0 114:112.0 115:81.0 116:704.0 117:526.0 118:162.0 120:11.0 128:639.0 129:1748.0 130:358.0 131:182.0 132:119.0 133:497.0 135:53.0 142:34.0 143:21.0 144:1230.0 145:204.0 147:5413.0 148:702.0 149:827.0 151:43.0 158:934.0 159:179.0 160:47.0 186:172.0 187:30.0 189:439.0 199:13.0 203:445.0 204:296.0 205:234.0 217:7.0 233:283.0 234:2432.0 235:459.0 236:156.0 261:625.0 262:69.0 373:55.0 261 1728_inosine 1728 897184 85:163.0 86:64.0 97:4.0 99:41.0 101:305.0 103:1289.0 106:14.0 111:59.0 113:48.0 115:238.0 116:92.0 117:269.0 129:3413.0 130:316.0 131:520.0 134:189.0 142:6.0 143:110.0 144:7.0 145:89.0 147:473.0 153:24.0 157:39.0 163:23.0 166:12.0 169:201.0 171:4.0 174:37.0 189:2.0 193:773.0 194:49.0 195:1.0 201:420.0 202:29.0 203:3.0 204:4.0 207:213.0 209:266.0 215:14.0 216:5.0 217:1674.0 218:322.0 219:156.0 230:1148.0 231:201.0 232:66.0 237:443.0 238:38.0 243:386.0 244:46.0 245:926.0 246:111.0 247:45.0 249:5.0 257:44.0 258:89.0 259:388.0 260:88.0 265:82.0 267:41.0 280:118.0 281:542.0 282:67.0 283:36.0 299:68.0 307:66.0 309:6.0 319:11.0 323:53.0 338:6.0 348:10.0 353:7.0 386:20.0 395:3.0 409:5.0 434:14.0 448:17.0 451:12.0 462:9.0 485:10.0 498:5.0 230 173_sucrose 173 915139 85:319.0 87:314.0 88:197.0 89:406.0 91:85.0 92:24.0 94:41.0 97:89.0 99:203.0 100:65.0 101:688.0 102:331.0 103:8357.0 104:731.0 105:421.0 108:21.0 109:428.0 110:53.0 111:276.0 112:52.0 113:277.0 114:83.0 115:331.0 116:305.0 117:1934.0 118:199.0 119:119.0 122:42.0 124:17.0 125:110.0 127:383.0 128:152.0 129:5742.0 130:735.0 131:1008.0 132:97.0 133:1861.0 134:253.0 135:207.0 136:48.0 138:21.0 139:138.0 140:102.0 141:194.0 142:193.0 143:925.0 144:271.0 145:271.0 147:8307.0 148:1465.0 149:1065.0 150:111.0 151:89.0 153:177.0 155:783.0 156:91.0 157:923.0 158:111.0 159:110.0 161:83.0 163:184.0 164:57.0 167:39.0 168:16.0 169:4225.0 170:655.0 171:273.0 172:7.0 173:153.0 174:27.0 175:15.0 177:150.0 178:17.0 181:98.0 182:26.0 183:315.0 185:18.0 187:58.0 188:21.0 189:856.0 190:170.0 191:1130.0 192:155.0 194:24.0 198:24.0 199:78.0 200:51.0 201:109.0 202:38.0 203:218.0 204:709.0 205:552.0 206:174.0 207:148.0 208:52.0 211:21.0 213:20.0 215:248.0 216:95.0 217:6218.0 218:1363.0 219:511.0 220:115.0 221:298.0 222:38.0 223:44.0 224:28.0 226:28.0 227:98.0 228:40.0 229:326.0 230:381.0 231:248.0 232:78.0 233:106.0 234:45.0 235:50.0 238:17.0 239:51.0 241:91.0 243:1186.0 244:335.0 245:322.0 246:29.0 248:22.0 249:30.0 250:24.0 256:8.0 257:361.0 258:103.0 259:142.0 261:34.0 264:24.0 265:67.0 266:57.0 267:53.0 268:18.0 271:1336.0 272:302.0 273:247.0 275:18.0 277:46.0 278:31.0 281:34.0 284:17.0 286:15.0 287:49.0 288:47.0 291:151.0 292:77.0 293:78.0 301:46.0 303:49.0 305:110.0 306:31.0 307:33.0 308:14.0 309:20.0 312:22.0 317:41.0 318:44.0 319:300.0 320:155.0 321:81.0 324:17.0 326:22.0 327:22.0 328:36.0 331:213.0 332:99.0 333:81.0 336:31.0 337:27.0 345:74.0 346:47.0 347:29.0 352:21.0 354:19.0 358:26.0 360:222.0 361:5812.0 362:2033.0 363:748.0 364:239.0 365:89.0 367:34.0 372:18.0 374:16.0 375:24.0 376:15.0 377:50.0 378:7.0 379:20.0 380:30.0 385:10.0 388:15.0 395:20.0 403:13.0 404:15.0 410:26.0 435:42.0 436:34.0 437:517.0 438:285.0 439:139.0 440:55.0 451:127.0 452:107.0 470:16.0 483:17.0 485:14.0 500:15.0 271 1738_cytidine-5-monophosphate 1738 849449 85:91.0 86:185.0 87:44.0 91:93.0 92:23.0 93:46.0 94:13.0 95:220.0 98:381.0 99:318.0 100:1129.0 101:253.0 102:99.0 103:94.0 109:84.0 110:59.0 111:69.0 112:92.0 113:225.0 114:45.0 115:349.0 116:194.0 117:1.0 118:44.0 124:115.0 125:399.0 126:154.0 127:98.0 128:276.0 129:327.0 130:3.0 131:457.0 132:53.0 133:290.0 134:166.0 136:39.0 138:28.0 139:98.0 140:187.0 141:229.0 142:7206.0 143:1038.0 144:508.0 145:5.0 146:34.0 147:2622.0 148:247.0 149:401.0 150:21.0 151:124.0 152:111.0 153:158.0 154:137.0 155:191.0 156:428.0 157:91.0 158:26.0 159:36.0 161:46.0 165:5.0 166:179.0 167:297.0 168:1267.0 169:1059.0 170:451.0 171:96.0 172:5.0 173:74.0 174:44.0 175:1.0 181:174.0 182:424.0 183:74.0 184:2745.0 185:438.0 186:157.0 188:6.0 190:2.0 194:59.0 196:106.0 197:113.0 200:21.0 203:9.0 208:120.0 209:235.0 210:55.0 212:25.0 213:39.0 215:60.0 216:84.0 217:14.0 222:2.0 224:24.0 225:6.0 226:15.0 228:54.0 230:55.0 231:6.0 232:19.0 233:12.0 238:61.0 239:199.0 240:566.0 241:231.0 242:92.0 243:1908.0 244:384.0 245:132.0 246:18.0 248:20.0 253:22.0 254:91.0 256:2985.0 257:747.0 258:433.0 259:123.0 260:45.0 263:6.0 264:23.0 268:46.0 269:10.0 275:20.0 281:86.0 282:15.0 283:5.0 285:21.0 287:20.0 294:122.0 295:44.0 299:2.0 310:11.0 311:30.0 313:24.0 314:17.0 315:2.0 322:12.0 325:37.0 329:15.0 332:1.0 337:5.0 344:12.0 349:2.0 354:8.0 364:12.0 367:28.0 369:8.0 370:1.0 382:225.0 383:90.0 384:17.0 385:22.0 389:26.0 392:3.0 405:22.0 414:5.0 426:45.0 435:11.0 454:5.0 456:35.0 457:3.0 467:4.0 468:1.0 474:14.0 479:22.0 483:33.0 489:12.0 493:16.0 142 1741_myo-inositol 1741 730022 85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 131:1566.0 132:262.0 133:3203.0 134:572.0 135:421.0 136:43.0 138:92.0 139:9.0 140:9.0 142:100.0 143:992.0 144:486.0 145:176.0 147:12285.0 148:1910.0 149:1382.0 150:114.0 151:150.0 152:3.0 153:80.0 154:28.0 155:134.0 157:450.0 158:183.0 159:71.0 161:161.0 162:19.0 165:22.0 168:8.0 169:204.0 170:123.0 171:159.0 172:11.0 173:59.0 174:708.0 175:214.0 177:312.0 178:31.0 179:9.0 181:23.0 182:233.0 183:125.0 184:165.0 185:64.0 189:488.0 190:276.0 191:5177.0 192:982.0 193:356.0 194:65.0 196:54.0 197:732.0 198:524.0 199:90.0 200:284.0 201:47.0 203:128.0 204:1900.0 205:544.0 206:210.0 207:117.0 208:190.0 209:44.0 210:51.0 211:40.0 212:15.0 214:11.0 215:101.0 216:5.0 217:8834.0 218:1837.0 219:969.0 220:74.0 221:785.0 222:165.0 223:125.0 224:40.0 226:190.0 227:115.0 228:140.0 229:48.0 230:117.0 231:157.0 232:21.0 233:1.0 236:4.0 239:56.0 240:36.0 241:98.0 242:8.0 243:275.0 244:82.0 245:10.0 246:20.0 254:17.0 255:20.0 256:6.0 257:11.0 264:22.0 265:1345.0 266:233.0 267:22.0 268:55.0 271:46.0 272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0 305 1741_myo-inositol** 1741 730022 85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 131:1566.0 132:262.0 133:3203.0 134:572.0 135:421.0 136:43.0 138:92.0 139:9.0 140:9.0 142:100.0 143:992.0 144:486.0 145:176.0 147:12285.0 148:1910.0 149:1382.0 150:114.0 151:150.0 152:3.0 153:80.0 154:28.0 155:134.0 157:450.0 158:183.0 159:71.0 161:161.0 162:19.0 165:22.0 168:8.0 169:204.0 170:123.0 171:159.0 172:11.0 173:59.0 174:708.0 175:214.0 177:312.0 178:31.0 179:9.0 181:23.0 182:233.0 183:125.0 184:165.0 185:64.0 189:488.0 190:276.0 191:5177.0 192:982.0 193:356.0 194:65.0 196:54.0 197:732.0 198:524.0 199:90.0 200:284.0 201:47.0 203:128.0 204:1900.0 205:544.0 206:210.0 207:117.0 208:190.0 209:44.0 210:51.0 211:40.0 212:15.0 214:11.0 215:101.0 216:5.0 217:8834.0 218:1837.0 219:969.0 220:74.0 221:785.0 222:165.0 223:125.0 224:40.0 226:190.0 227:115.0 228:140.0 229:48.0 230:117.0 231:157.0 232:21.0 233:1.0 236:4.0 239:56.0 240:36.0 241:98.0 242:8.0 243:275.0 244:82.0 245:10.0 246:20.0 254:17.0 255:20.0 256:6.0 257:11.0 264:22.0 265:1345.0 266:233.0 267:22.0 268:55.0 271:46.0 272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0 305 1743_maleimide 1743 245118 85:294.0 86:375.0 87:61.0 88:60.0 92:7.0 93:188.0 94:171.0 96:191.0 97:130.0 99:129.0 100:1406.0 101:44.0 102:144.0 103:750.0 105:72.0 107:179.0 110:1243.0 111:89.0 114:287.0 115:459.0 116:31.0 117:256.0 126:37.0 127:659.0 128:781.0 130:926.0 131:244.0 133:167.0 134:886.0 135:5.0 141:1.0 144:9.0 146:57.0 147:1899.0 149:79.0 150:32.0 154:6151.0 155:630.0 156:263.0 157:17.0 160:56.0 167:18.0 168:5.0 169:26.0 174:58.0 184:406.0 187:80.0 188:53.0 190:183.0 191:64.0 201:20.0 218:40.0 219:68.0 226:2.0 229:3.0 265:23.0 283:2.0 330:19.0 350:7.0 370:3.0 392:2.0 467:2.0 154 1749_nicotinamide 1749 469827 85:163.0 86:62.0 88:15.0 93:250.0 94:28.0 95:14.0 99:2.0 100:441.0 102:35.0 104:246.0 105:493.0 106:197.0 107:167.0 108:39.0 110:86.0 113:68.0 114:53.0 119:38.0 122:5.0 130:17.0 131:146.0 133:48.0 136:1730.0 137:162.0 138:49.0 143:12.0 147:1383.0 148:106.0 149:87.0 151:12.0 161:6.0 162:2.0 171:59.0 174:10.0 175:40.0 179:4411.0 180:519.0 181:144.0 183:21.0 184:100.0 186:1.0 189:21.0 190:22.0 191:17.0 193:247.0 194:104.0 201:89.0 204:4.0 205:40.0 210:32.0 213:5.0 217:3.0 218:11.0 219:7.0 226:19.0 231:7.0 233:16.0 238:29.0 241:16.0 243:398.0 244:67.0 245:37.0 247:2.0 257:6.0 272:10.0 283:14.0 287:1.0 294:28.0 298:1.0 299:1.0 300:39.0 304:1.0 313:8.0 319:6.0 331:11.0 343:1.0 358:8.0 365:9.0 374:8.0 376:21.0 379:28.0 392:27.0 408:6.0 417:20.0 439:5.0 456:11.0 463:4.0 468:2.0 475:17.0 483:9.0 487:3.0 489:12.0 494:13.0 497:15.0 179 1764_adenine 1764 646534 85:258.0 92:26.0 93:169.0 98:13.0 99:241.0 100:98.0 102:99.0 104:48.0 110:149.0 111:262.0 112:6.0 116:64.0 122:1.0 124:60.0 126:21.0 129:21.0 130:276.0 137:10.0 138:43.0 139:12.0 144:218.0 148:39.0 149:1110.0 150:48.0 152:17.0 153:364.0 157:26.0 158:2.0 160:15.0 162:52.0 164:56.0 165:208.0 166:57.0 167:27.0 180:42.0 192:582.0 202:3.0 205:36.0 206:131.0 219:65.0 221:9.0 223:14.0 225:69.0 226:52.0 235:9.0 237:68.0 238:3.0 255:145.0 264:2576.0 265:565.0 266:248.0 278:7.0 279:415.0 280:50.0 282:57.0 292:9.0 293:27.0 309:145.0 425:12.0 447:1.0 470:29.0 481:9.0 264 1784_uridine-5-monophosphate 1784 977896 85:180.0 87:474.0 89:3.0 91:30.0 92:6.0 93:69.0 94:19.0 95:28.0 96:179.0 97:341.0 98:88.0 99:1859.0 100:832.0 101:611.0 102:163.0 103:179.0 109:47.0 111:144.0 112:43.0 113:642.0 114:33.0 115:313.0 116:272.0 117:260.0 118:11.0 119:34.0 120:8.0 123:3.0 124:38.0 125:169.0 126:247.0 127:111.0 128:23.0 129:1672.0 130:150.0 131:380.0 132:13.0 133:1055.0 134:73.0 135:313.0 137:161.0 139:17.0 140:299.0 141:249.0 142:394.0 143:465.0 144:3.0 145:52.0 147:2838.0 148:580.0 149:207.0 151:175.0 152:1.0 153:358.0 154:123.0 155:150.0 156:105.0 157:91.0 158:26.0 161:2.0 165:3.0 166:3.0 167:412.0 168:793.0 169:7206.0 170:1072.0 171:880.0 172:103.0 173:40.0 174:34.0 177:35.0 179:36.0 181:170.0 183:246.0 184:223.0 185:829.0 186:136.0 187:50.0 189:3.0 191:106.0 193:162.0 194:6.0 195:60.0 196:377.0 197:169.0 198:9.0 200:5.0 205:14.0 207:369.0 209:187.0 211:1338.0 212:160.0 213:104.0 214:10.0 215:453.0 216:67.0 217:279.0 218:35.0 219:5.0 221:63.0 223:2.0 225:247.0 226:79.0 227:260.0 230:463.0 231:92.0 232:18.0 235:6.0 236:5.0 237:7.0 239:28.0 241:904.0 242:179.0 243:927.0 244:156.0 245:58.0 251:61.0 255:293.0 256:417.0 257:960.0 258:903.0 259:221.0 260:68.0 269:46.0 281:180.0 283:145.0 285:157.0 286:40.0 298:29.0 299:2504.0 300:736.0 301:304.0 302:47.0 310:16.0 311:51.0 312:22.0 313:32.0 314:275.0 315:2444.0 316:568.0 317:254.0 323:59.0 325:20.0 337:44.0 341:35.0 346:1.0 352:1352.0 353:372.0 354:119.0 355:79.0 356:33.0 369:22.0 370:43.0 371:35.0 382:9.0 386:6.0 387:172.0 395:3.0 398:4.0 483:10.0 485:5.0 169 17947_3-hydroxybutanoic acid 17947 278710 85:2119.0 87:471.0 88:900.0 94:1221.0 95:6.0 98:23.0 99:1143.0 100:386.0 101:1486.0 102:212.0 103:8179.0 104:551.0 105:450.0 109:377.0 113:99.0 115:3115.0 116:536.0 117:4141.0 118:423.0 119:24.0 120:7.0 130:3248.0 131:2430.0 132:319.0 133:4466.0 134:465.0 143:4873.0 144:476.0 147:57686.0 148:9003.0 149:4759.0 150:375.0 158:775.0 161:7.0 163:54.0 164:5.0 177:6803.0 178:972.0 179:414.0 184:151.0 189:22.0 191:1143.0 192:123.0 193:52.0 198:2.0 203:23.0 204:10.0 205:642.0 217:146.0 218:1360.0 219:234.0 231:36.0 233:6765.0 234:1346.0 235:517.0 236:30.0 255:254.0 256:18.0 266:2.0 267:47.0 280:31.0 282:93.0 283:48.0 284:13.0 285:8.0 309:15.0 324:10.0 327:21.0 436:6.0 465:4.0 177 17973_alpha-aminoadipic acid 17973 571057 85:1555.0 86:2633.0 87:846.0 88:680.0 89:284.0 90:386.0 92:329.0 94:164.0 95:2.0 96:908.0 98:4190.0 99:1189.0 100:13430.0 101:1626.0 102:1520.0 103:3607.0 104:385.0 105:2.0 107:7.0 108:1334.0 109:203.0 110:74.0 112:723.0 114:1527.0 115:7109.0 116:3722.0 117:7399.0 118:1068.0 119:192.0 120:191.0 124:222.0 126:23.0 128:18099.0 129:16012.0 130:3295.0 131:5367.0 132:1481.0 133:4474.0 134:744.0 135:247.0 136:38.0 137:3.0 138:163.0 139:57.0 140:230.0 141:214.0 142:443.0 143:278.0 144:226.0 145:341.0 146:146.0 147:14707.0 148:2184.0 149:2251.0 150:166.0 152:163.0 153:3.0 154:2275.0 155:305.0 156:1044.0 158:159.0 159:147.0 160:419.0 163:873.0 164:165.0 167:29.0 168:260.0 169:53.0 170:3298.0 171:545.0 172:828.0 173:237.0 174:1742.0 175:499.0 176:355.0 181:4.0 182:745.0 183:188.0 184:30.0 186:57.0 188:545.0 189:709.0 190:84.0 191:35.0 194:76.0 198:175.0 199:118.0 200:67.0 201:49.0 202:559.0 203:1433.0 204:1060.0 205:1058.0 206:381.0 211:82.0 212:83.0 216:227.0 217:20320.0 218:5974.0 219:2582.0 220:408.0 221:594.0 222:19.0 224:7.0 225:50.0 226:16.0 227:90.0 228:726.0 229:148.0 230:355.0 231:104.0 232:64.0 234:82.0 236:7.0 237:50.0 238:111.0 240:47.0 241:82.0 242:215.0 244:5053.0 245:1169.0 246:405.0 247:50.0 254:5.0 257:77.0 259:82.0 260:21422.0 261:4366.0 262:1899.0 263:354.0 265:10.0 268:290.0 270:46.0 271:5.0 272:1785.0 273:425.0 274:283.0 275:93.0 278:121.0 287:151.0 288:229.0 289:134.0 291:277.0 292:138.0 293:8.0 294:29.0 295:2.0 297:14.0 302:4.0 303:148.0 304:21.0 305:104.0 308:156.0 310:36.0 317:49.0 318:95.0 319:493.0 320:145.0 322:128.0 332:244.0 333:18.0 334:153.0 335:53.0 356:1.0 362:949.0 363:274.0 364:179.0 377:400.0 378:102.0 379:3.0 397:2.0 401:2.0 402:7.0 407:5.0 420:17.0 422:75.0 430:2.0 432:11.0 447:2.0 453:1.0 457:2.0 472:10.0 489:8.0 500:4.0 260 17982_cerotinic acid 17982 1033286 85:1295.0 86:158.0 88:1.0 89:242.0 91:67.0 93:95.0 95:1309.0 96:191.0 97:1943.0 98:1236.0 99:444.0 101:240.0 102:74.0 104:114.0 105:273.0 106:1.0 108:119.0 109:514.0 111:676.0 112:371.0 113:1.0 114:1.0 115:99.0 116:520.0 117:19706.0 118:1850.0 119:625.0 120:16.0 121:455.0 122:38.0 123:291.0 124:92.0 125:288.0 129:8151.0 130:948.0 131:2365.0 132:8532.0 133:1938.0 134:337.0 135:577.0 136:86.0 137:241.0 140:82.0 142:67.0 143:1023.0 144:297.0 145:7017.0 146:912.0 148:5.0 149:2.0 150:8.0 151:1.0 153:31.0 154:24.0 155:57.0 156:72.0 157:76.0 159:576.0 160:16.0 161:258.0 162:139.0 163:183.0 164:68.0 165:159.0 167:34.0 169:14.0 171:274.0 172:35.0 173:50.0 174:93.0 175:96.0 177:40.0 179:270.0 180:55.0 181:18.0 182:69.0 183:110.0 184:38.0 185:671.0 186:59.0 187:484.0 188:181.0 189:144.0 190:183.0 192:217.0 193:1193.0 194:444.0 195:330.0 196:168.0 197:169.0 199:48.0 201:1388.0 202:244.0 203:89.0 204:61.0 205:229.0 206:199.0 207:998.0 208:332.0 209:640.0 210:187.0 211:26.0 212:19.0 213:158.0 215:228.0 216:22.0 217:36.0 218:171.0 219:28.0 221:128.0 222:253.0 224:74.0 225:9.0 226:58.0 227:200.0 228:7.0 229:141.0 230:128.0 231:93.0 232:14.0 233:51.0 234:36.0 235:122.0 236:20.0 237:179.0 239:157.0 241:256.0 242:48.0 243:160.0 246:58.0 247:8.0 249:59.0 250:69.0 251:155.0 252:91.0 253:241.0 254:151.0 255:255.0 256:10.0 257:179.0 258:29.0 260:14.0 261:12.0 263:88.0 265:60.0 266:27.0 267:218.0 268:46.0 269:150.0 270:81.0 271:18.0 272:29.0 273:22.0 274:36.0 275:41.0 276:13.0 277:5.0 279:94.0 280:278.0 281:960.0 282:589.0 283:488.0 284:136.0 285:56.0 286:17.0 290:16.0 291:70.0 292:39.0 293:73.0 294:72.0 295:321.0 296:128.0 297:504.0 298:115.0 299:119.0 300:39.0 303:15.0 304:5.0 305:114.0 307:20.0 308:37.0 309:71.0 310:109.0 311:155.0 312:111.0 313:176.0 314:49.0 315:53.0 316:11.0 317:11.0 319:12.0 320:35.0 321:14.0 323:44.0 324:45.0 325:251.0 326:211.0 327:617.0 328:323.0 329:232.0 330:33.0 331:11.0 334:30.0 336:2.0 337:19.0 338:8.0 339:57.0 340:88.0 341:366.0 342:220.0 343:347.0 344:83.0 345:33.0 346:21.0 347:71.0 348:30.0 352:8.0 354:17.0 355:287.0 356:205.0 358:58.0 359:25.0 360:6.0 363:3.0 364:1.0 365:26.0 367:55.0 368:34.0 369:113.0 370:43.0 372:7.0 373:14.0 374:3.0 375:60.0 377:24.0 378:1.0 383:124.0 384:26.0 385:141.0 386:33.0 387:173.0 388:74.0 389:74.0 392:20.0 394:9.0 396:39.0 397:32.0 398:18.0 399:140.0 400:100.0 401:136.0 402:130.0 403:118.0 404:14.0 405:26.0 408:43.0 409:69.0 410:40.0 411:37.0 412:35.0 413:28.0 414:22.0 415:38.0 416:276.0 417:166.0 418:30.0 420:36.0 424:19.0 425:79.0 426:128.0 427:56.0 428:11.0 429:121.0 430:56.0 432:3.0 433:8.0 434:46.0 435:56.0 436:31.0 440:19.0 442:21.0 443:10.0 444:24.0 445:5.0 447:72.0 449:22.0 450:5.0 451:24.0 452:97.0 453:1044.0 454:717.0 455:209.0 456:63.0 459:28.0 460:67.0 461:91.0 462:74.0 463:75.0 465:19.0 468:310.0 469:256.0 470:147.0 471:32.0 472:14.0 473:12.0 474:53.0 475:185.0 476:155.0 477:135.0 478:85.0 480:1.0 481:15.0 482:15.0 486:31.0 489:299.0 490:128.0 491:114.0 492:9.0 493:24.0 499:6.0 145 18_glutamine 18 600315 85:588.0 86:773.0 87:527.0 88:297.0 89:472.0 90:276.0 91:144.0 92:65.0 93:78.0 94:61.0 95:137.0 96:185.0 97:201.0 98:705.0 99:418.0 100:4218.0 101:1051.0 102:801.0 104:146.0 105:125.0 107:73.0 110:227.0 111:76.0 112:1090.0 113:753.0 114:2855.0 115:2580.0 116:2463.0 117:1187.0 118:279.0 119:308.0 122:34.0 124:65.0 125:100.0 126:1306.0 128:4527.0 129:1216.0 130:1701.0 131:3856.0 132:1540.0 133:2992.0 134:655.0 135:215.0 136:26.0 139:3235.0 140:1116.0 141:410.0 142:1009.0 143:245.0 144:331.0 145:1747.0 146:257.0 147:9430.0 148:1993.0 149:1681.0 150:185.0 151:69.0 152:27.0 153:67.0 154:260.0 155:14394.0 156:43220.0 157:6313.0 158:1912.0 159:272.0 160:138.0 161:51.0 162:66.0 166:44.0 167:195.0 169:63.0 171:69.0 172:337.0 173:232.0 174:201.0 176:34.0 177:50.0 181:33.0 182:15.0 183:40.0 186:56.0 187:9.0 188:718.0 189:187.0 190:105.0 191:76.0 193:70.0 195:43.0 198:53.0 199:61.0 200:144.0 201:61.0 202:143.0 203:2487.0 204:663.0 205:265.0 207:36.0 208:28.0 209:34.0 210:14.0 211:80.0 213:189.0 214:143.0 215:102.0 216:364.0 217:226.0 218:826.0 219:310.0 220:115.0 221:221.0 222:68.0 227:413.0 228:98.0 229:1162.0 230:578.0 231:180.0 232:403.0 233:34.0 234:56.0 238:18.0 240:77.0 241:83.0 243:88.0 244:176.0 245:3569.0 246:718.0 247:273.0 248:58.0 249:40.0 250:54.0 257:296.0 258:134.0 259:83.0 260:22.0 262:21.0 263:12.0 265:34.0 266:39.0 270:17.0 272:175.0 273:318.0 274:109.0 275:87.0 276:71.0 277:36.0 283:37.0 287:19.0 291:57.0 293:48.0 296:24.0 300:23.0 301:325.0 302:104.0 304:15.0 305:13.0 308:10.0 310:34.0 313:14.0 315:34.0 317:19.0 319:37.0 322:31.0 323:21.0 331:50.0 332:44.0 333:42.0 335:28.0 337:25.0 338:23.0 339:40.0 343:20.0 344:64.0 347:497.0 348:145.0 349:93.0 361:29.0 362:151.0 363:83.0 365:13.0 366:13.0 367:18.0 368:25.0 369:31.0 376:43.0 384:19.0 385:19.0 402:20.0 404:19.0 406:22.0 407:15.0 410:28.0 428:43.0 444:15.0 454:23.0 464:17.0 477:23.0 478:15.0 483:17.0 484:21.0 485:26.0 494:15.0 500:15.0 156 18043_2,3-dihydroxypyridine 18043 373895 85:878.0 86:625.0 90:271.0 91:40.0 92:699.0 93:155.0 94:249.0 95:650.0 96:2824.0 97:595.0 99:92.0 100:42.0 101:42.0 103:851.0 104:49.0 105:58.0 106:240.0 107:2265.0 108:263.0 109:105.0 110:823.0 111:436.0 112:693.0 113:75.0 114:20.0 116:252.0 117:7136.0 118:844.0 123:2.0 124:319.0 127:188.0 129:1914.0 130:1862.0 131:2619.0 132:1552.0 133:225.0 134:4559.0 135:306.0 137:19.0 138:65.0 139:8.0 140:447.0 141:4.0 142:1398.0 145:1515.0 147:594.0 150:704.0 151:100.0 152:500.0 153:91.0 154:539.0 155:124.0 157:89.0 166:874.0 167:185.0 168:393.0 169:153.0 170:26.0 171:1.0 173:270.0 180:24.0 182:251.0 184:504.0 185:122.0 186:44.0 189:82.0 191:5362.0 192:853.0 193:440.0 199:3077.0 200:648.0 201:229.0 202:2.0 208:6.0 213:2.0 214:4.0 224:49.0 228:278.0 229:13.0 231:191.0 232:17.0 234:34.0 236:34.0 238:133.0 240:5128.0 241:1115.0 242:375.0 244:101.0 245:15.0 251:296.0 252:24.0 254:60.0 255:356.0 256:52.0 258:1.0 259:319.0 260:20.0 266:106.0 271:38.0 272:94.0 273:40.0 274:269.0 275:8.0 276:56.0 280:1.0 288:9.0 290:5.0 300:35.0 301:12.0 304:12.0 307:2.0 314:48.0 315:11.0 316:6.0 317:22.0 324:3.0 325:37.0 326:6.0 328:10.0 331:15.0 333:12.0 334:6.0 335:15.0 339:24.0 342:12.0 350:22.0 353:5.0 356:3.0 363:20.0 364:17.0 366:3.0 370:1.0 371:37.0 372:20.0 377:31.0 379:8.0 385:8.0 391:4.0 392:9.0 393:20.0 396:1.0 399:2.0 400:10.0 404:9.0 405:16.0 406:7.0 408:4.0 414:29.0 417:15.0 421:46.0 425:6.0 432:2.0 436:2.0 438:5.0 439:5.0 449:15.0 451:1.0 458:9.0 459:2.0 463:2.0 464:2.0 466:18.0 469:13.0 473:17.0 474:14.0 475:6.0 476:10.0 479:32.0 482:9.0 483:3.0 487:15.0 494:5.0 496:3.0 240 1810_thymidine-5-phosphate 1810 608111 87:88.0 97:77.0 99:95.0 103:187.0 104:233.0 110:77.0 111:147.0 113:102.0 115:102.0 125:33.0 127:209.0 129:89.0 133:883.0 134:20.0 135:237.0 137:127.0 142:34.0 143:56.0 153:10.0 155:1837.0 156:118.0 157:31.0 167:32.0 169:1843.0 170:2609.0 171:674.0 172:3.0 181:236.0 182:17.0 183:93.0 195:49.0 211:3659.0 212:453.0 213:211.0 225:88.0 227:272.0 243:1085.0 244:156.0 253:39.0 299:908.0 300:108.0 301:47.0 315:341.0 316:22.0 317:13.0 170 18145_galactinol 18145 991053 85:1671.0 86:321.0 87:898.0 88:245.0 89:1668.0 90:237.0 91:825.0 92:514.0 93:237.0 94:161.0 95:193.0 96:24.0 97:778.0 98:447.0 99:1212.0 100:127.0 101:3232.0 102:700.0 103:26510.0 104:2297.0 105:1854.0 108:93.0 109:2007.0 111:1220.0 112:148.0 113:1805.0 114:221.0 115:1101.0 116:2993.0 117:5404.0 118:725.0 119:972.0 120:179.0 124:69.0 125:231.0 126:98.0 127:1045.0 128:239.0 129:31993.0 130:3500.0 131:7022.0 132:1388.0 133:8707.0 134:976.0 135:1098.0 136:39.0 137:17.0 138:27.0 139:632.0 140:105.0 141:696.0 142:1228.0 143:4877.0 144:574.0 145:3015.0 146:414.0 147:39961.0 148:6820.0 149:5617.0 150:741.0 151:685.0 152:165.0 153:811.0 154:414.0 155:2678.0 156:287.0 157:5429.0 158:1401.0 159:936.0 160:115.0 161:537.0 162:193.0 163:1322.0 164:199.0 165:74.0 166:35.0 167:70.0 168:156.0 169:8027.0 170:1694.0 171:1542.0 172:60.0 173:1508.0 174:212.0 175:778.0 176:117.0 177:1137.0 178:225.0 179:39.0 180:169.0 181:339.0 182:251.0 183:1264.0 184:195.0 185:323.0 187:245.0 188:149.0 189:4191.0 190:1889.0 191:17358.0 192:3683.0 193:2058.0 194:197.0 195:160.0 197:352.0 198:131.0 199:715.0 200:184.0 201:248.0 202:221.0 203:1961.0 204:42442.0 205:10108.0 206:4250.0 207:882.0 208:711.0 209:52.0 210:91.0 211:186.0 212:104.0 213:107.0 214:91.0 215:703.0 216:251.0 217:34856.0 218:8651.0 219:3901.0 220:946.0 221:1523.0 222:375.0 223:232.0 224:122.0 227:465.0 228:271.0 229:605.0 230:2362.0 231:1938.0 232:942.0 233:1103.0 234:490.0 237:198.0 239:137.0 240:161.0 241:424.0 242:464.0 243:9111.0 244:2051.0 245:1781.0 246:1702.0 247:428.0 248:77.0 249:1037.0 250:128.0 251:187.0 254:236.0 255:801.0 256:257.0 257:893.0 258:138.0 259:423.0 260:66.0 261:95.0 262:43.0 264:68.0 265:24.0 266:23.0 267:108.0 268:101.0 270:170.0 271:5138.0 272:1064.0 273:558.0 274:317.0 275:405.0 276:254.0 277:92.0 279:11.0 283:26.0 284:42.0 285:93.0 287:232.0 288:60.0 289:81.0 290:80.0 291:1323.0 292:305.0 293:775.0 294:305.0 295:14.0 297:18.0 299:211.0 300:65.0 301:73.0 303:152.0 304:390.0 305:2348.0 306:1246.0 307:474.0 308:213.0 309:118.0 311:87.0 314:52.0 315:151.0 316:56.0 317:826.0 318:979.0 319:1103.0 320:290.0 321:144.0 323:9.0 324:22.0 325:71.0 326:75.0 328:88.0 331:731.0 332:704.0 333:621.0 334:348.0 335:126.0 338:25.0 339:71.0 340:46.0 341:105.0 342:347.0 343:5032.0 344:2003.0 345:2106.0 346:495.0 347:252.0 348:35.0 350:102.0 351:39.0 353:52.0 354:83.0 355:335.0 356:215.0 357:26.0 358:46.0 359:119.0 360:370.0 361:4491.0 362:1824.0 363:741.0 364:263.0 365:82.0 366:32.0 367:41.0 368:161.0 377:178.0 381:16.0 383:16.0 388:101.0 389:1010.0 390:199.0 391:270.0 392:134.0 396:19.0 397:29.0 398:3.0 407:36.0 415:26.0 417:16.0 418:16.0 423:3.0 431:23.0 432:593.0 433:5786.0 434:3648.0 435:2770.0 436:774.0 437:628.0 438:50.0 450:42.0 451:95.0 453:19.0 455:29.0 461:49.0 477:59.0 478:904.0 479:7313.0 480:4237.0 481:2094.0 482:763.0 483:34.0 484:62.0 204 18145_galactinol 1 18145 991053 85:1671.0 86:321.0 87:898.0 88:245.0 89:1668.0 90:237.0 91:825.0 92:514.0 93:237.0 94:161.0 95:193.0 96:24.0 97:778.0 98:447.0 99:1212.0 100:127.0 101:3232.0 102:700.0 103:26510.0 104:2297.0 105:1854.0 108:93.0 109:2007.0 111:1220.0 112:148.0 113:1805.0 114:221.0 115:1101.0 116:2993.0 117:5404.0 118:725.0 119:972.0 120:179.0 124:69.0 125:231.0 126:98.0 127:1045.0 128:239.0 129:31993.0 130:3500.0 131:7022.0 132:1388.0 133:8707.0 134:976.0 135:1098.0 136:39.0 137:17.0 138:27.0 139:632.0 140:105.0 141:696.0 142:1228.0 143:4877.0 144:574.0 145:3015.0 146:414.0 147:39961.0 148:6820.0 149:5617.0 150:741.0 151:685.0 152:165.0 153:811.0 154:414.0 155:2678.0 156:287.0 157:5429.0 158:1401.0 159:936.0 160:115.0 161:537.0 162:193.0 163:1322.0 164:199.0 165:74.0 166:35.0 167:70.0 168:156.0 169:8027.0 170:1694.0 171:1542.0 172:60.0 173:1508.0 174:212.0 175:778.0 176:117.0 177:1137.0 178:225.0 179:39.0 180:169.0 181:339.0 182:251.0 183:1264.0 184:195.0 185:323.0 187:245.0 188:149.0 189:4191.0 190:1889.0 191:17358.0 192:3683.0 193:2058.0 194:197.0 195:160.0 197:352.0 198:131.0 199:715.0 200:184.0 201:248.0 202:221.0 203:1961.0 204:42442.0 205:10108.0 206:4250.0 207:882.0 208:711.0 209:52.0 210:91.0 211:186.0 212:104.0 213:107.0 214:91.0 215:703.0 216:251.0 217:34856.0 218:8651.0 219:3901.0 220:946.0 221:1523.0 222:375.0 223:232.0 224:122.0 227:465.0 228:271.0 229:605.0 230:2362.0 231:1938.0 232:942.0 233:1103.0 234:490.0 237:198.0 239:137.0 240:161.0 241:424.0 242:464.0 243:9111.0 244:2051.0 245:1781.0 246:1702.0 247:428.0 248:77.0 249:1037.0 250:128.0 251:187.0 254:236.0 255:801.0 256:257.0 257:893.0 258:138.0 259:423.0 260:66.0 261:95.0 262:43.0 264:68.0 265:24.0 266:23.0 267:108.0 268:101.0 270:170.0 271:5138.0 272:1064.0 273:558.0 274:317.0 275:405.0 276:254.0 277:92.0 279:11.0 283:26.0 284:42.0 285:93.0 287:232.0 288:60.0 289:81.0 290:80.0 291:1323.0 292:305.0 293:775.0 294:305.0 295:14.0 297:18.0 299:211.0 300:65.0 301:73.0 303:152.0 304:390.0 305:2348.0 306:1246.0 307:474.0 308:213.0 309:118.0 311:87.0 314:52.0 315:151.0 316:56.0 317:826.0 318:979.0 319:1103.0 320:290.0 321:144.0 323:9.0 324:22.0 325:71.0 326:75.0 328:88.0 331:731.0 332:704.0 333:621.0 334:348.0 335:126.0 338:25.0 339:71.0 340:46.0 341:105.0 342:347.0 343:5032.0 344:2003.0 345:2106.0 346:495.0 347:252.0 348:35.0 350:102.0 351:39.0 353:52.0 354:83.0 355:335.0 356:215.0 357:26.0 358:46.0 359:119.0 360:370.0 361:4491.0 362:1824.0 363:741.0 364:263.0 365:82.0 366:32.0 367:41.0 368:161.0 377:178.0 381:16.0 383:16.0 388:101.0 389:1010.0 390:199.0 391:270.0 392:134.0 396:19.0 397:29.0 398:3.0 407:36.0 415:26.0 417:16.0 418:16.0 423:3.0 431:23.0 432:593.0 433:5786.0 434:3648.0 435:2770.0 436:774.0 437:628.0 438:50.0 450:42.0 451:95.0 453:19.0 455:29.0 461:49.0 477:59.0 478:904.0 479:7313.0 480:4237.0 481:2094.0 482:763.0 483:34.0 484:62.0 204 18159_galactinol 18159 998425 85:66.0 87:175.0 89:250.0 91:18.0 97:23.0 99:93.0 101:427.0 102:83.0 103:3130.0 104:287.0 105:36.0 109:172.0 111:127.0 113:28.0 115:40.0 116:148.0 117:596.0 118:4.0 119:3.0 121:2.0 122:29.0 127:38.0 128:7.0 129:3627.0 130:393.0 131:740.0 132:44.0 133:978.0 134:107.0 135:177.0 138:6.0 139:54.0 141:45.0 142:156.0 143:592.0 144:95.0 145:295.0 147:4585.0 148:833.0 149:610.0 150:39.0 151:69.0 153:106.0 154:2.0 155:361.0 156:5.0 157:616.0 158:150.0 159:17.0 161:59.0 163:148.0 164:24.0 167:15.0 169:767.0 170:170.0 171:174.0 172:21.0 176:11.0 177:76.0 179:278.0 180:35.0 181:49.0 182:13.0 183:103.0 184:14.0 188:7.0 189:540.0 190:75.0 191:1493.0 192:168.0 193:85.0 195:32.0 198:38.0 199:91.0 201:86.0 203:196.0 204:12322.0 205:2719.0 206:1008.0 207:256.0 208:27.0 209:53.0 215:95.0 216:6.0 217:3734.0 218:984.0 219:319.0 220:114.0 221:293.0 225:17.0 229:75.0 230:131.0 231:200.0 232:67.0 233:104.0 234:41.0 237:7.0 243:540.0 244:139.0 245:177.0 246:158.0 249:13.0 255:80.0 257:131.0 259:97.0 264:14.0 265:53.0 267:230.0 270:7.0 271:463.0 272:101.0 273:102.0 287:28.0 291:11.0 304:18.0 305:310.0 306:156.0 317:34.0 318:52.0 319:135.0 320:27.0 321:20.0 329:15.0 330:10.0 331:43.0 332:39.0 333:23.0 341:23.0 343:27.0 345:22.0 347:7.0 360:11.0 361:544.0 362:217.0 363:34.0 375:26.0 376:5.0 386:14.0 428:9.0 433:95.0 434:72.0 435:90.0 436:18.0 475:5.0 479:175.0 480:99.0 481:18.0 492:5.0 204 1821_ornithine 1821 527113 85:252.0 86:569.0 87:548.0 88:467.0 89:1118.0 90:393.0 94:104.0 95:111.0 96:181.0 97:341.0 98:542.0 99:225.0 100:4351.0 101:232.0 102:4646.0 103:662.0 104:345.0 105:178.0 106:63.0 107:181.0 108:4.0 109:6.0 110:358.0 111:16.0 112:222.0 113:200.0 114:874.0 115:3565.0 116:287.0 117:1730.0 118:380.0 119:233.0 124:193.0 125:16.0 126:683.0 128:2450.0 129:1396.0 130:1712.0 131:801.0 132:778.0 133:1042.0 134:241.0 136:87.0 139:109.0 140:164.0 141:423.0 142:23875.0 143:3872.0 144:2986.0 145:327.0 146:1013.0 147:4795.0 148:658.0 149:565.0 150:74.0 151:111.0 152:39.0 153:690.0 154:92.0 155:103.0 157:36.0 158:255.0 159:17.0 160:116.0 161:18.0 162:1782.0 163:711.0 164:109.0 167:167.0 168:251.0 169:425.0 170:315.0 171:757.0 172:710.0 173:6.0 174:259.0 175:50.0 176:158.0 178:12.0 184:112.0 185:65.0 186:386.0 187:48.0 188:162.0 189:147.0 190:67.0 192:82.0 200:226.0 201:110.0 202:170.0 203:174.0 204:1119.0 205:188.0 206:102.0 209:7.0 210:90.0 211:20.0 213:39.0 214:35.0 216:965.0 218:537.0 219:454.0 220:58.0 221:4.0 225:51.0 226:121.0 227:66.0 228:74.0 231:106.0 232:158.0 233:167.0 234:1.0 235:51.0 236:110.0 237:84.0 240:41.0 241:246.0 243:909.0 244:975.0 245:253.0 249:17.0 251:9.0 258:286.0 259:274.0 260:109.0 262:88.0 264:5.0 267:15.0 271:26.0 273:26.0 274:17.0 276:110.0 277:1.0 286:46.0 288:60.0 292:48.0 299:181.0 300:7.0 302:88.0 319:7.0 320:14.0 321:1.0 322:103.0 328:14.0 331:9.0 335:9.0 336:7.0 337:4.0 339:34.0 345:1.0 346:32.0 347:19.0 348:447.0 349:223.0 350:81.0 351:87.0 352:19.0 353:3.0 357:47.0 358:9.0 362:33.0 363:11.0 364:36.0 366:25.0 369:39.0 371:58.0 377:39.0 379:29.0 402:24.0 403:2.0 405:21.0 406:26.0 407:4.0 408:107.0 409:4.0 410:41.0 413:7.0 418:73.0 419:1.0 420:21.0 421:1.0 422:21.0 427:56.0 431:52.0 434:17.0 440:31.0 441:56.0 444:70.0 447:19.0 449:17.0 455:34.0 456:6.0 458:17.0 460:4.0 462:60.0 464:39.0 465:24.0 469:4.0 471:20.0 474:65.0 475:2.0 481:1.0 482:20.0 490:14.0 494:18.0 496:19.0 500:34.0 142 18496_glycyl proline 18496 691357 85:52.0 86:302.0 100:252.0 103:30.0 172:26.0 173:12.0 174:1192.0 175:118.0 176:13.0 268:7.0 306:8.0 331:18.0 374:29.0 174 18607_hexose-6-phosphate 18607 806282 89:205.0 90:34.0 100:62.0 101:173.0 103:155.0 105:83.0 113:36.0 114:63.0 116:51.0 117:51.0 129:326.0 130:58.0 131:112.0 133:153.0 135:38.0 143:37.0 145:25.0 147:476.0 148:80.0 157:90.0 160:244.0 161:48.0 169:18.0 189:27.0 191:42.0 205:21.0 211:118.0 216:24.0 217:145.0 218:44.0 219:21.0 225:30.0 227:17.0 231:19.0 247:31.0 248:13.0 285:42.0 298:19.0 299:223.0 300:63.0 301:70.0 302:32.0 305:24.0 307:13.0 315:124.0 316:28.0 329:15.0 331:29.0 332:21.0 338:19.0 341:32.0 343:35.0 351:14.0 357:130.0 358:66.0 359:34.0 370:14.0 373:27.0 375:27.0 381:18.0 384:17.0 385:17.0 386:77.0 387:346.0 388:198.0 389:93.0 390:25.0 405:22.0 406:18.0 414:14.0 415:17.0 427:18.0 446:20.0 447:17.0 451:14.0 467:16.0 469:14.0 470:25.0 471:36.0 472:30.0 473:34.0 492:19.0 495:13.0 387 19_cholesterol 19 1078536 85:3277.0 86:357.0 87:698.0 88:331.0 89:2173.0 90:402.0 91:29340.0 92:4360.0 93:20764.0 94:3772.0 95:27816.0 96:2369.0 97:5814.0 98:576.0 99:1514.0 100:67.0 101:2755.0 102:616.0 103:3141.0 104:1732.0 105:26895.0 106:4885.0 107:20090.0 108:3742.0 109:12657.0 110:1522.0 111:3689.0 112:263.0 113:906.0 114:11.0 115:5342.0 116:2555.0 117:9801.0 118:2755.0 119:20567.0 120:8989.0 121:16634.0 122:2141.0 123:4503.0 124:437.0 125:1170.0 127:1663.0 128:3577.0 129:54005.0 130:8829.0 131:13284.0 132:3825.0 133:11161.0 134:2718.0 135:6902.0 136:1043.0 137:1921.0 138:221.0 139:366.0 140:34.0 141:1736.0 142:1564.0 143:8660.0 144:2673.0 145:14947.0 146:3939.0 147:8061.0 148:1915.0 149:3985.0 150:610.0 151:1319.0 152:408.0 153:758.0 154:319.0 155:3169.0 156:1021.0 157:3810.0 158:1828.0 159:9076.0 160:5601.0 161:6795.0 162:1227.0 163:4384.0 164:458.0 165:1284.0 166:161.0 167:384.0 168:347.0 169:1185.0 170:423.0 171:2081.0 172:834.0 173:3703.0 174:1262.0 175:2235.0 176:439.0 177:1560.0 178:113.0 179:858.0 180:243.0 181:887.0 182:560.0 183:716.0 184:280.0 185:1819.0 186:590.0 187:1277.0 188:206.0 189:1339.0 190:309.0 191:332.0 192:162.0 193:955.0 194:180.0 195:202.0 196:482.0 197:729.0 198:263.0 199:1768.0 200:662.0 201:1515.0 202:242.0 203:1729.0 204:370.0 205:745.0 206:395.0 207:1056.0 208:276.0 209:107.0 210:110.0 211:254.0 212:189.0 213:3077.0 214:734.0 215:1368.0 216:439.0 217:1498.0 218:326.0 219:1206.0 220:313.0 221:23.0 224:30.0 225:87.0 226:79.0 227:502.0 228:534.0 229:661.0 230:170.0 231:364.0 232:115.0 233:900.0 234:177.0 235:204.0 236:85.0 237:55.0 238:52.0 239:177.0 240:60.0 241:339.0 242:144.0 243:210.0 244:59.0 245:572.0 246:461.0 247:2344.0 248:403.0 249:125.0 250:59.0 252:53.0 253:179.0 254:30.0 255:2800.0 256:601.0 257:163.0 258:64.0 259:538.0 260:243.0 261:199.0 263:32.0 264:23.0 265:65.0 273:274.0 274:225.0 275:639.0 276:187.0 281:145.0 282:75.0 283:120.0 284:36.0 285:63.0 286:82.0 287:170.0 288:74.0 289:90.0 290:43.0 291:75.0 292:49.0 293:15.0 296:49.0 297:104.0 298:74.0 299:129.0 300:98.0 301:381.0 302:72.0 303:115.0 306:40.0 309:24.0 310:40.0 311:54.0 313:138.0 314:139.0 315:97.0 316:21.0 317:63.0 325:87.0 326:283.0 327:494.0 328:1516.0 329:5692.0 330:1874.0 331:297.0 332:48.0 333:26.0 339:121.0 340:250.0 341:51.0 342:94.0 345:35.0 348:13.0 350:24.0 352:51.0 353:2296.0 354:1049.0 355:294.0 356:56.0 359:28.0 360:26.0 366:37.0 367:311.0 368:4398.0 369:2014.0 370:454.0 371:32.0 373:31.0 377:19.0 381:21.0 383:18.0 384:15.0 387:31.0 389:26.0 401:14.0 402:26.0 409:16.0 418:10.0 420:7.0 426:14.0 430:34.0 443:382.0 444:223.0 445:52.0 448:21.0 452:20.0 455:31.0 456:34.0 457:237.0 458:1008.0 459:866.0 460:253.0 461:82.0 462:32.0 484:18.0 486:19.0 329 1966_guanosine 1966 954962 85:1543.0 86:695.0 87:960.0 88:305.0 89:2775.0 90:249.0 91:343.0 93:203.0 94:284.0 95:499.0 96:239.0 97:2078.0 98:737.0 99:4070.0 100:2326.0 101:4073.0 102:1037.0 103:34450.0 104:3406.0 105:1568.0 106:62.0 107:214.0 109:142.0 110:455.0 111:1465.0 112:454.0 113:1897.0 114:483.0 115:8354.0 116:2447.0 117:6988.0 118:924.0 119:1155.0 120:232.0 121:117.0 122:147.0 123:259.0 124:207.0 125:458.0 126:538.0 127:917.0 128:347.0 129:8734.0 130:1540.0 131:5420.0 132:1425.0 133:6822.0 134:1511.0 135:1021.0 136:292.0 137:132.0 138:600.0 139:302.0 140:531.0 141:1713.0 142:1027.0 143:3986.0 144:981.0 145:1559.0 146:2839.0 147:27792.0 148:4607.0 149:3282.0 150:543.0 151:415.0 152:307.0 153:1353.0 154:308.0 155:706.0 156:2088.0 157:3224.0 158:2370.0 159:678.0 160:408.0 161:224.0 162:222.0 163:409.0 164:248.0 165:886.0 166:3125.0 167:575.0 168:444.0 169:7379.0 170:1166.0 171:3233.0 172:586.0 173:871.0 174:546.0 175:362.0 176:163.0 177:359.0 178:193.0 179:571.0 180:716.0 181:329.0 182:440.0 183:244.0 184:236.0 185:98.0 186:101.0 187:305.0 188:221.0 189:1982.0 190:1372.0 191:1608.0 192:622.0 193:690.0 194:431.0 195:354.0 196:284.0 197:211.0 198:374.0 199:110.0 201:253.0 202:87.0 203:387.0 204:1826.0 205:986.0 206:945.0 207:1068.0 208:1030.0 209:430.0 210:407.0 211:136.0 212:78.0 213:59.0 214:21.0 215:525.0 216:169.0 217:10591.0 218:2542.0 219:1259.0 220:489.0 221:723.0 222:590.0 223:337.0 224:301.0 225:64.0 226:49.0 227:37.0 229:697.0 230:11215.0 231:3428.0 232:1503.0 233:315.0 234:380.0 235:110.0 236:239.0 237:303.0 238:841.0 239:312.0 240:159.0 241:64.0 242:24.0 243:8321.0 244:2037.0 245:25735.0 246:5652.0 247:2341.0 248:587.0 249:142.0 250:260.0 251:664.0 252:232.0 253:273.0 254:70.0 255:8.0 257:418.0 258:440.0 259:3621.0 260:888.0 261:351.0 262:262.0 263:172.0 264:3343.0 265:841.0 266:504.0 267:197.0 268:55.0 271:152.0 272:26.0 273:28.0 274:59.0 275:26.0 276:134.0 277:167.0 278:965.0 279:784.0 280:16955.0 281:4530.0 282:1983.0 283:512.0 284:24.0 285:11.0 286:24.0 287:5.0 288:79.0 290:77.0 291:115.0 292:272.0 293:296.0 294:2118.0 295:4048.0 296:5363.0 297:1547.0 298:410.0 299:331.0 300:40.0 301:59.0 302:58.0 304:91.0 305:103.0 306:271.0 307:61.0 308:924.0 309:397.0 310:93.0 311:34.0 313:66.0 314:43.0 316:60.0 317:37.0 318:106.0 319:241.0 320:467.0 321:212.0 322:254.0 323:388.0 324:26146.0 325:7164.0 326:2744.0 327:594.0 328:158.0 329:17.0 330:26.0 331:85.0 332:68.0 333:126.0 334:50.0 335:46.0 336:207.0 337:85.0 338:114.0 339:26.0 340:20.0 341:119.0 342:70.0 344:24.0 345:32.0 346:14.0 347:28.0 348:694.0 349:228.0 350:187.0 351:97.0 352:1658.0 353:655.0 354:394.0 355:227.0 356:19.0 357:23.0 358:32.0 359:13.0 360:60.0 361:766.0 362:290.0 363:78.0 364:55.0 365:10.0 366:370.0 367:580.0 368:5554.0 369:2081.0 370:949.0 371:149.0 372:46.0 374:17.0 375:25.0 376:16.0 378:54.0 379:7.0 380:59.0 381:9.0 382:36.0 383:90.0 384:12.0 385:11.0 391:56.0 392:63.0 393:68.0 394:1375.0 395:505.0 396:369.0 397:77.0 401:83.0 404:26.0 406:34.0 407:8.0 408:140.0 409:289.0 410:2972.0 411:1154.0 412:488.0 413:73.0 414:8.0 415:113.0 422:502.0 423:234.0 424:151.0 425:540.0 426:224.0 427:53.0 429:17.0 431:28.0 434:38.0 435:16.0 436:22.0 437:15.0 438:19.0 440:5.0 446:31.0 448:84.0 450:33.0 451:15.0 455:10.0 463:43.0 464:86.0 465:64.0 468:21.0 469:2.0 475:55.0 476:12.0 480:21.0 482:144.0 483:82.0 484:38.0 485:6.0 488:23.0 490:28.0 495:9.0 496:10.0 497:6.0 187 1971_glycolic acid 1971 227636 86:321.0 87:877.0 88:2215.0 89:1177.0 90:166.0 92:46.0 95:690.0 98:47.0 99:43.0 100:1.0 101:491.0 102:395.0 103:3236.0 104:445.0 105:759.0 106:5.0 107:431.0 110:197.0 113:123.0 114:1.0 115:778.0 116:235.0 117:2708.0 118:351.0 119:694.0 120:123.0 121:18.0 124:3.0 131:2476.0 132:305.0 133:6921.0 134:1259.0 135:297.0 144:1.0 146:382.0 147:57199.0 148:9255.0 149:5731.0 150:464.0 151:221.0 161:3331.0 162:563.0 163:245.0 164:13.0 174:12.0 175:25.0 176:44.0 177:9136.0 178:1499.0 179:744.0 180:12.0 184:100.0 186:21.0 189:5.0 190:199.0 205:5249.0 206:917.0 207:412.0 223:9.0 228:19.0 251:6.0 274:3.0 276:1.0 283:39.0 294:4.0 301:1.0 315:15.0 316:4.0 323:2.0 327:18.0 341:6.0 363:8.0 368:9.0 374:4.0 377:48.0 384:16.0 387:25.0 411:32.0 422:1.0 432:11.0 435:46.0 443:1.0 444:22.0 445:1.0 452:40.0 458:13.0 471:1.0 472:19.0 479:4.0 481:29.0 488:23.0 492:29.0 324 1979_maltose 1979 946601 85:18.0 86:40.0 87:38.0 89:640.0 90:50.0 94:3.0 95:51.0 96:226.0 97:52.0 98:60.0 99:10.0 100:262.0 101:31.0 102:157.0 103:2571.0 104:171.0 105:231.0 108:7.0 109:86.0 111:17.0 112:13.0 113:130.0 114:62.0 116:82.0 117:1560.0 118:98.0 119:98.0 125:5.0 127:10.0 128:39.0 129:1849.0 130:331.0 131:223.0 132:24.0 133:813.0 134:81.0 140:25.0 141:77.0 142:107.0 143:428.0 145:58.0 147:3256.0 148:427.0 149:324.0 150:26.0 151:72.0 153:172.0 154:645.0 155:415.0 156:509.0 157:424.0 158:111.0 159:44.0 160:636.0 161:170.0 162:19.0 163:205.0 164:29.0 165:12.0 167:23.0 168:29.0 169:1498.0 170:149.0 171:74.0 173:51.0 174:285.0 175:35.0 177:64.0 179:112.0 180:55.0 183:16.0 184:2.0 185:19.0 189:468.0 190:38.0 191:829.0 192:158.0 193:141.0 195:14.0 198:67.0 199:25.0 201:40.0 203:320.0 204:4249.0 205:1631.0 206:496.0 208:114.0 210:84.0 212:27.0 213:4.0 215:9.0 216:59.0 217:2396.0 218:581.0 219:223.0 220:68.0 221:182.0 222:39.0 224:3.0 225:17.0 226:21.0 229:144.0 230:46.0 231:198.0 232:58.0 233:75.0 234:9.0 235:1.0 239:35.0 240:58.0 241:13.0 242:16.0 243:478.0 244:130.0 245:97.0 246:25.0 247:96.0 248:12.0 250:47.0 253:12.0 254:8.0 255:2.0 256:5.0 257:34.0 259:48.0 262:31.0 267:41.0 268:121.0 270:12.0 271:435.0 272:78.0 273:36.0 274:7.0 276:31.0 277:35.0 279:21.0 281:38.0 283:32.0 287:14.0 293:2.0 295:3.0 300:85.0 301:6.0 304:12.0 305:57.0 306:8.0 311:4.0 312:28.0 316:2.0 317:32.0 319:490.0 320:177.0 321:32.0 322:21.0 325:25.0 327:37.0 329:34.0 331:120.0 332:35.0 344:21.0 345:23.0 355:21.0 356:47.0 360:65.0 361:2593.0 362:908.0 363:420.0 364:61.0 365:43.0 366:24.0 368:5.0 370:6.0 375:15.0 378:8.0 379:19.0 383:1.0 388:12.0 390:30.0 391:7.0 398:50.0 400:33.0 401:44.0 415:58.0 420:25.0 423:9.0 426:1.0 451:20.0 453:2.0 477:8.0 480:84.0 481:2.0 482:8.0 486:18.0 494:39.0 495:20.0 177 2_alanine 2 244189 85:3158.0 86:13644.0 87:4068.0 88:3439.0 89:983.0 90:196.0 91:253.0 93:372.0 94:6680.0 95:665.0 97:207.0 98:1020.0 99:805.0 100:24444.0 101:7141.0 102:7827.0 103:18348.0 104:1762.0 105:2019.0 107:860.0 110:602.0 112:751.0 113:917.0 114:4190.0 115:4871.0 116:395401.0 117:48488.0 118:16494.0 119:2692.0 120:172.0 127:1339.0 128:5915.0 129:862.0 130:2771.0 131:6829.0 132:2965.0 133:10359.0 134:1720.0 135:1132.0 136:81.0 142:62.0 143:39.0 144:1251.0 145:101.0 146:927.0 147:78930.0 148:12646.0 149:6222.0 150:478.0 151:105.0 158:147.0 160:155.0 161:51.0 167:26.0 172:139.0 174:823.0 175:285.0 176:139.0 178:14.0 188:186.0 190:14341.0 191:3102.0 192:1175.0 193:187.0 199:27.0 200:71.0 203:85.0 216:93.0 218:3500.0 219:651.0 220:269.0 223:21.0 229:19.0 230:13.0 232:73.0 233:81.0 234:29.0 242:26.0 261:24.0 271:29.0 277:32.0 282:19.0 288:15.0 301:22.0 303:30.0 304:32.0 308:16.0 318:26.0 319:31.0 328:24.0 334:37.0 338:19.0 340:31.0 342:29.0 343:17.0 355:18.0 359:33.0 360:27.0 366:25.0 367:47.0 370:28.0 373:46.0 376:15.0 386:28.0 387:21.0 388:33.0 391:42.0 396:20.0 398:12.0 399:25.0 404:33.0 410:40.0 413:31.0 415:13.0 416:30.0 418:30.0 420:30.0 422:42.0 423:18.0 425:19.0 427:22.0 432:36.0 434:48.0 446:16.0 447:34.0 449:29.0 451:15.0 461:22.0 463:16.0 464:21.0 471:24.0 495:27.0 498:30.0 156 2000_2-hydroxyglutaric acid 2000 506306 85:987.0 86:115.0 99:30.0 101:119.0 103:121.0 105:91.0 115:9.0 116:84.0 117:39.0 129:3826.0 130:487.0 131:370.0 132:6.0 133:412.0 134:38.0 146:11.0 147:1685.0 148:252.0 149:537.0 150:24.0 157:1113.0 158:97.0 159:129.0 163:13.0 172:4.0 184:12.0 203:612.0 204:140.0 217:9.0 218:20.0 231:219.0 247:1048.0 248:174.0 249:17.0 349:124.0 350:3.0 354:11.0 477:11.0 479:1.0 116 2047_butyrolactam NIST 2047 277199 85:20.0 86:58.0 88:236.0 89:101.0 99:89.0 100:965.0 101:112.0 102:36.0 107:15.0 108:64.0 110:113.0 112:60.0 113:20.0 114:80.0 115:83.0 116:36.0 134:97.0 140:21.0 142:4184.0 143:458.0 144:89.0 155:31.0 156:217.0 157:779.0 158:23.0 173:153.0 184:27.0 185:7.0 199:33.0 213:132.0 302:10.0 306:2.0 314:3.0 290 2070_1-monopalmitin 2070 901749 85:11049.0 86:1066.0 87:1727.0 88:2503.0 89:4332.0 90:546.0 91:849.0 93:1712.0 94:656.0 95:11870.0 96:1156.0 97:8236.0 98:3082.0 99:3966.0 100:546.0 101:20046.0 102:2216.0 103:20674.0 104:2095.0 105:2096.0 106:183.0 107:1123.0 108:131.0 109:6523.0 110:712.0 111:3012.0 112:681.0 113:1739.0 114:217.0 115:2374.0 116:10634.0 117:15865.0 118:1742.0 119:1613.0 120:72.0 121:1202.0 122:204.0 123:3774.0 124:386.0 125:1683.0 126:303.0 127:616.0 128:109.0 129:21091.0 130:3960.0 131:10125.0 132:4681.0 133:12652.0 134:1737.0 135:1655.0 136:141.0 137:1775.0 138:262.0 139:720.0 140:149.0 141:273.0 142:131.0 143:661.0 144:135.0 145:6877.0 146:2613.0 147:38549.0 148:6200.0 149:5049.0 150:588.0 151:943.0 152:150.0 153:288.0 154:112.0 155:265.0 156:152.0 157:214.0 158:56.0 159:886.0 160:239.0 161:366.0 162:169.0 163:802.0 164:213.0 165:475.0 166:30.0 167:76.0 168:77.0 169:198.0 170:48.0 171:294.0 172:71.0 173:412.0 174:405.0 175:2465.0 176:394.0 177:348.0 178:135.0 179:168.0 180:110.0 181:96.0 182:35.0 183:128.0 184:53.0 185:206.0 186:105.0 187:3094.0 188:1500.0 189:796.0 190:136.0 191:423.0 192:125.0 193:134.0 194:78.0 195:107.0 199:163.0 200:58.0 201:1672.0 202:313.0 203:11522.0 204:2125.0 205:6323.0 206:1184.0 207:669.0 208:66.0 210:61.0 211:38.0 213:111.0 215:337.0 216:74.0 217:325.0 218:1342.0 219:659.0 220:209.0 221:490.0 222:146.0 224:36.0 227:21.0 229:172.0 230:57.0 236:37.0 237:282.0 238:135.0 239:6840.0 240:1347.0 241:281.0 242:70.0 243:535.0 244:93.0 245:73.0 246:37.0 247:61.0 249:37.0 255:63.0 256:31.0 257:520.0 258:103.0 260:50.0 261:40.0 262:30.0 263:121.0 264:53.0 268:53.0 269:79.0 270:45.0 271:154.0 272:105.0 273:77.0 274:44.0 275:143.0 276:87.0 278:109.0 279:29.0 283:56.0 284:49.0 285:228.0 286:109.0 287:103.0 289:37.0 290:68.0 291:106.0 292:86.0 293:64.0 295:68.0 296:45.0 297:28.0 299:134.0 300:56.0 301:71.0 302:55.0 303:60.0 304:68.0 305:86.0 307:64.0 308:72.0 310:42.0 311:218.0 312:88.0 313:861.0 314:289.0 315:160.0 316:94.0 319:64.0 321:46.0 327:97.0 328:90.0 330:38.0 331:84.0 333:52.0 334:44.0 336:56.0 337:67.0 338:52.0 341:141.0 342:144.0 346:38.0 348:28.0 352:30.0 354:61.0 355:94.0 360:50.0 361:49.0 363:69.0 368:31.0 369:57.0 370:548.0 371:12602.0 372:5969.0 373:1566.0 374:284.0 375:117.0 376:49.0 379:60.0 383:49.0 384:114.0 386:38.0 387:99.0 391:41.0 393:51.0 399:29.0 401:172.0 402:52.0 403:47.0 404:73.0 412:31.0 421:39.0 423:25.0 426:30.0 445:40.0 447:39.0 450:16.0 455:30.0 458:125.0 459:549.0 460:443.0 461:108.0 462:83.0 463:44.0 464:41.0 465:31.0 467:38.0 468:48.0 473:41.0 477:43.0 479:33.0 484:35.0 487:40.0 495:67.0 498:35.0 112 208_2-ketoisocaproic acid 208 310761 85:129.0 86:213.0 88:136.0 89:5113.0 90:387.0 91:282.0 98:690.0 99:3574.0 100:584.0 101:86.0 103:142.0 104:34.0 105:37.0 110:2780.0 111:140.0 113:196.0 114:693.0 115:2338.0 116:377.0 117:158.0 118:61.0 119:177.0 123:21.0 126:192.0 128:49.0 134:174.0 135:32.0 140:183.0 143:201.0 150:40.0 151:21.0 153:18.0 154:48.0 156:80.0 157:32.0 158:269.0 159:57.0 162:23.0 167:25.0 172:42.0 173:31.0 174:195.0 176:65.0 182:80.0 183:64.0 185:19.0 187:8.0 189:1534.0 190:172.0 191:32.0 197:31.0 199:14.0 200:1899.0 201:202.0 202:58.0 204:20.0 213:13.0 216:1419.0 217:200.0 218:44.0 219:27.0 234:19.0 243:15.0 270:14.0 283:27.0 288:16.0 309:15.0 310:11.0 316:22.0 341:26.0 342:26.0 357:11.0 358:14.0 360:15.0 363:17.0 364:18.0 370:29.0 371:18.0 372:14.0 375:22.0 376:16.0 377:13.0 379:18.0 380:23.0 382:16.0 388:12.0 390:18.0 401:19.0 414:18.0 418:13.0 420:16.0 428:18.0 447:17.0 455:15.0 457:27.0 464:31.0 478:15.0 492:20.0 496:42.0 277 2080_2-monopalmitin 2080 890356 85:1173.0 86:178.0 88:144.0 89:1066.0 90:126.0 91:140.0 94:99.0 95:941.0 96:63.0 97:733.0 98:502.0 99:592.0 100:60.0 101:2348.0 102:302.0 103:7151.0 104:680.0 105:645.0 107:102.0 109:408.0 111:290.0 112:75.0 113:755.0 115:765.0 116:501.0 117:1096.0 118:156.0 119:207.0 123:127.0 125:88.0 127:131.0 128:189.0 129:12972.0 130:1803.0 131:2768.0 132:385.0 133:1642.0 134:217.0 135:186.0 137:85.0 139:19.0 143:108.0 145:474.0 146:204.0 147:7648.0 148:1225.0 149:1173.0 150:133.0 151:73.0 159:196.0 160:26.0 161:43.0 162:41.0 163:508.0 164:87.0 165:50.0 173:110.0 174:175.0 175:227.0 177:209.0 179:23.0 185:65.0 188:20.0 189:108.0 191:1803.0 192:340.0 194:31.0 201:119.0 202:39.0 203:2064.0 204:417.0 205:200.0 206:21.0 213:55.0 217:1104.0 218:3952.0 219:901.0 220:246.0 221:159.0 239:235.0 240:28.0 244:19.0 257:48.0 266:28.0 312:20.0 313:564.0 314:155.0 315:34.0 327:24.0 342:17.0 360:15.0 370:15.0 401:22.0 402:14.0 403:45.0 420:21.0 89 21_fructose 21 639442 85:1065.0 86:372.0 87:1570.0 88:1347.0 89:11886.0 90:1027.0 91:450.0 94:125.0 95:108.0 96:150.0 97:341.0 98:337.0 99:854.0 100:2150.0 101:3537.0 102:951.0 103:87115.0 104:8453.0 105:4107.0 106:219.0 110:160.0 111:332.0 112:91.0 113:824.0 114:1370.0 115:1277.0 116:899.0 117:11742.0 118:1067.0 119:1473.0 120:185.0 121:95.0 124:47.0 125:43.0 126:175.0 127:390.0 129:7908.0 130:1485.0 131:4620.0 132:643.0 133:13456.0 134:1710.0 135:838.0 136:63.0 137:46.0 138:36.0 139:93.0 140:151.0 141:118.0 142:668.0 143:1229.0 144:315.0 145:720.0 146:131.0 147:31566.0 148:5489.0 149:3353.0 150:427.0 151:161.0 152:101.0 153:38.0 154:144.0 155:93.0 156:316.0 157:991.0 158:386.0 159:304.0 160:97.0 161:176.0 162:65.0 163:975.0 164:200.0 165:158.0 166:46.0 167:27.0 168:108.0 169:86.0 170:294.0 171:86.0 172:1946.0 173:2066.0 174:149.0 175:765.0 176:95.0 177:455.0 178:99.0 179:46.0 180:136.0 181:27.0 182:79.0 183:67.0 184:145.0 185:151.0 186:280.0 187:155.0 188:268.0 189:4443.0 190:966.0 191:2168.0 192:369.0 193:183.0 194:35.0 196:50.0 198:88.0 199:60.0 200:53.0 201:988.0 202:686.0 203:527.0 204:2075.0 205:3054.0 206:556.0 207:649.0 208:121.0 209:91.0 210:50.0 213:66.0 214:325.0 215:196.0 216:592.0 217:32679.0 218:6467.0 219:2774.0 220:406.0 221:829.0 222:195.0 223:53.0 224:54.0 225:32.0 226:41.0 227:51.0 228:64.0 229:141.0 230:302.0 231:626.0 232:201.0 233:121.0 235:155.0 236:38.0 237:45.0 240:113.0 242:110.0 243:81.0 244:311.0 245:130.0 246:106.0 247:129.0 248:65.0 249:48.0 250:28.0 252:23.0 254:51.0 255:35.0 256:278.0 257:147.0 258:103.0 259:84.0 260:311.0 261:127.0 262:353.0 263:510.0 264:138.0 265:95.0 266:38.0 267:21.0 268:79.0 269:61.0 270:78.0 271:39.0 272:25.0 274:149.0 276:209.0 277:1848.0 278:638.0 279:300.0 280:98.0 281:22.0 283:22.0 288:125.0 289:70.0 290:47.0 291:449.0 292:105.0 293:43.0 294:44.0 296:21.0 299:13.0 300:42.0 302:94.0 303:109.0 304:86.0 305:195.0 306:216.0 307:8126.0 308:2307.0 309:1062.0 310:183.0 311:22.0 312:21.0 314:27.0 317:13.0 318:136.0 319:67.0 321:26.0 322:31.0 323:16.0 325:221.0 326:77.0 327:31.0 330:116.0 331:51.0 332:69.0 333:58.0 334:177.0 335:313.0 336:138.0 337:58.0 338:13.0 340:16.0 344:18.0 346:40.0 350:44.0 361:21.0 364:753.0 365:265.0 366:64.0 368:26.0 369:15.0 392:20.0 402:17.0 405:29.0 432:14.0 441:24.0 443:17.0 446:14.0 465:73.0 466:39.0 468:16.0 481:15.0 486:30.0 85 21703_putrescine 21703 588119 85:624.0 86:17614.0 87:1954.0 88:701.0 95:37.0 96:1.0 97:93.0 98:646.0 99:2310.0 100:8640.0 101:1171.0 102:973.0 103:9.0 110:382.0 111:26.0 112:811.0 113:463.0 114:1772.0 115:664.0 116:1599.0 117:894.0 118:197.0 124:16.0 125:39.0 126:2092.0 127:226.0 128:1088.0 129:243.0 130:4521.0 131:1582.0 132:862.0 140:655.0 141:77.0 142:1872.0 143:265.0 144:500.0 145:66.0 146:2422.0 153:32.0 156:175.0 158:658.0 159:41.0 160:306.0 161:249.0 162:38.0 167:11.0 170:321.0 171:88.0 172:4206.0 173:1002.0 174:64169.0 175:12035.0 176:5347.0 177:502.0 178:41.0 184:47.0 185:2.0 186:296.0 187:692.0 188:367.0 189:59.0 197:135.0 198:99.0 199:162.0 200:3458.0 201:589.0 202:310.0 211:2.0 212:60.0 213:29.0 214:4453.0 215:873.0 216:342.0 228:51.0 229:24.0 242:2.0 361:457.0 362:101.0 363:68.0 376:189.0 377:35.0 211 21821_5'-deoxy-5'-methylthioadenosine 21821 967036 85:99.0 86:132.0 94:26.0 96:62.0 99:123.0 100:70.0 101:24.0 105:120.0 111:44.0 112:105.0 113:82.0 114:27.0 115:34.0 121:46.0 122:14.0 123:36.0 126:141.0 129:197.0 130:26.0 134:23.0 137:43.0 138:17.0 141:16.0 142:14.0 143:9.0 145:27.0 147:46.0 149:28.0 151:2.0 155:2.0 157:5.0 162:54.0 163:36.0 164:9.0 165:196.0 167:14.0 169:374.0 170:80.0 171:39.0 173:30.0 175:661.0 176:140.0 177:69.0 179:27.0 185:14.0 188:879.0 189:163.0 190:69.0 191:115.0 192:416.0 193:4.0 195:38.0 203:29.0 204:24.0 206:71.0 207:218.0 208:208.0 209:62.0 210:7.0 211:34.0 217:27.0 218:6.0 223:42.0 227:14.0 230:20.0 234:8.0 236:1235.0 237:221.0 238:8.0 241:12.0 245:58.0 246:10.0 249:71.0 251:23.0 254:19.0 257:6.0 266:12.0 274:15.0 277:2.0 278:6.0 281:58.0 283:29.0 288:12.0 291:3.0 292:1.0 295:10.0 298:11.0 299:10.0 321:10.0 327:34.0 328:31.0 341:25.0 342:1.0 346:2.0 351:5.0 360:1.0 363:17.0 365:3.0 373:10.0 375:7.0 376:2.0 389:9.0 401:3.0 406:26.0 414:16.0 416:1.0 427:14.0 429:6.0 430:3.0 439:12.0 447:19.0 451:18.0 452:7.0 454:9.0 455:10.0 457:13.0 475:8.0 487:1.0 488:6.0 491:13.0 492:8.0 493:5.0 494:28.0 498:10.0 500:28.0 204 2186_cytosin 2186 486724 85:305.0 86:945.0 88:631.0 89:66.0 91:93.0 92:12.0 93:60.0 94:50.0 95:688.0 96:493.0 97:996.0 98:12707.0 99:1818.0 100:5096.0 101:1193.0 102:433.0 103:101.0 104:99.0 105:431.0 106:204.0 107:67.0 108:20.0 109:92.0 110:178.0 111:229.0 112:504.0 113:1713.0 114:980.0 115:589.0 116:686.0 117:327.0 118:47.0 120:75.0 123:207.0 124:149.0 125:2555.0 126:219.0 127:121.0 128:47.0 129:459.0 130:1719.0 131:511.0 132:336.0 133:465.0 134:102.0 135:97.0 136:71.0 137:73.0 138:109.0 139:59.0 140:535.0 141:151.0 143:279.0 144:73.0 145:109.0 146:1329.0 147:3418.0 148:489.0 149:94.0 150:439.0 151:64.0 152:193.0 153:99.0 154:59.0 155:231.0 161:6.0 164:11.0 166:71.0 167:184.0 168:1124.0 169:155.0 170:6298.0 171:1452.0 172:635.0 173:122.0 178:2.0 181:40.0 182:790.0 183:354.0 184:187.0 186:38.0 187:37.0 189:35.0 190:76.0 192:1.0 194:11.0 197:439.0 198:127.0 199:69.0 201:1.0 204:5.0 205:9.0 206:2.0 207:1.0 208:207.0 210:10.0 211:33.0 212:33.0 213:61.0 215:67.0 219:2.0 220:8.0 221:5.0 223:57.0 224:390.0 225:98.0 228:12.0 230:550.0 238:2174.0 239:405.0 240:10337.0 241:2300.0 242:765.0 243:156.0 246:4.0 247:3.0 248:1.0 249:3.0 252:3.0 253:1.0 254:11187.0 255:5242.0 256:1410.0 257:386.0 258:231.0 268:2.0 273:21.0 275:28.0 288:2.0 291:1.0 293:2.0 307:6.0 326:27.0 349:21.0 412:13.0 424:21.0 482:19.0 485:24.0 236 22_glucose 22 659798 85:955.0 86:739.0 87:1963.0 88:1249.0 89:23654.0 90:1741.0 91:1135.0 94:110.0 95:64.0 96:681.0 97:924.0 98:177.0 99:1302.0 100:4269.0 101:5985.0 102:2628.0 103:55876.0 104:5298.0 105:6003.0 106:471.0 107:134.0 108:44.0 109:106.0 110:151.0 111:715.0 112:295.0 113:1157.0 114:1065.0 115:1902.0 116:1693.0 117:24869.0 118:2407.0 119:3013.0 120:325.0 121:179.0 122:26.0 125:71.0 126:224.0 127:784.0 128:764.0 129:26818.0 130:4097.0 131:8107.0 132:1183.0 133:20675.0 134:2878.0 135:1403.0 136:88.0 137:88.0 138:128.0 139:78.0 140:168.0 141:461.0 142:600.0 143:3011.0 144:391.0 145:752.0 146:298.0 147:74365.0 148:11914.0 149:7215.0 150:643.0 151:308.0 152:144.0 153:106.0 154:234.0 155:230.0 156:167.0 157:15880.0 158:2265.0 159:1354.0 160:26476.0 161:4855.0 162:1167.0 163:1980.0 164:353.0 165:173.0 166:66.0 167:41.0 168:218.0 169:875.0 170:314.0 171:300.0 172:779.0 173:653.0 174:336.0 175:957.0 176:247.0 177:1348.0 178:344.0 179:133.0 180:209.0 181:33.0 182:242.0 183:163.0 184:97.0 185:254.0 186:673.0 187:389.0 188:291.0 189:6007.0 190:1558.0 191:2460.0 192:417.0 193:292.0 195:60.0 196:246.0 197:91.0 198:134.0 199:66.0 200:234.0 201:1318.0 202:313.0 203:888.0 204:5053.0 205:33730.0 206:6322.0 207:3539.0 208:472.0 209:199.0 210:200.0 213:53.0 214:817.0 215:292.0 216:400.0 217:15616.0 218:2944.0 219:1198.0 220:326.0 221:1077.0 222:246.0 223:158.0 224:41.0 226:71.0 227:64.0 228:170.0 229:3566.0 230:982.0 231:1293.0 232:448.0 233:1580.0 234:523.0 235:1031.0 236:130.0 237:100.0 238:55.0 239:51.0 240:176.0 241:34.0 242:333.0 243:368.0 244:344.0 245:388.0 246:375.0 247:193.0 248:65.0 249:99.0 250:67.0 251:20.0 254:44.0 255:84.0 256:91.0 257:62.0 258:63.0 259:196.0 260:89.0 261:79.0 262:148.0 263:54.0 264:75.0 265:142.0 266:27.0 267:73.0 268:390.0 269:229.0 270:150.0 271:74.0 272:56.0 273:568.0 274:363.0 275:124.0 276:89.0 277:829.0 278:385.0 279:183.0 280:104.0 281:55.0 282:35.0 283:33.0 285:77.0 288:42.0 289:54.0 290:40.0 291:1057.0 292:312.0 293:179.0 294:59.0 295:51.0 297:42.0 299:61.0 300:246.0 302:56.0 304:108.0 305:648.0 306:254.0 307:702.0 308:154.0 309:105.0 311:48.0 312:21.0 316:37.0 317:71.0 318:429.0 319:19404.0 320:5891.0 321:2652.0 322:624.0 323:182.0 324:34.0 325:32.0 327:46.0 328:35.0 331:96.0 332:37.0 333:95.0 337:160.0 338:50.0 339:22.0 341:25.0 342:53.0 343:73.0 344:108.0 345:74.0 347:146.0 349:60.0 351:49.0 358:30.0 365:62.0 366:39.0 372:18.0 376:127.0 378:55.0 384:34.0 388:28.0 391:19.0 392:28.0 406:24.0 411:63.0 413:45.0 419:18.0 420:29.0 426:32.0 427:27.0 429:20.0 437:52.0 439:41.0 442:51.0 446:32.0 447:58.0 448:29.0 449:37.0 450:19.0 453:25.0 459:30.0 461:36.0 462:37.0 467:17.0 475:36.0 487:19.0 496:50.0 254 2226_succinate semialdehyde 2226 297024 85:2046.0 86:2010.0 87:22.0 88:95.0 89:5734.0 90:577.0 91:1301.0 92:70.0 93:34.0 94:24.0 98:185.0 101:46.0 102:183.0 106:28.0 107:138.0 108:6.0 110:60.0 111:43.0 112:4.0 113:6334.0 114:548.0 115:18.0 116:75.0 117:16.0 118:87.0 119:38.0 120:7.0 127:42.0 128:91.0 129:228.0 130:177.0 131:240.0 132:11.0 135:1.0 137:5.0 139:8.0 142:46.0 143:20.0 145:269.0 147:30.0 149:101.0 152:8.0 154:42.0 155:2.0 156:2626.0 157:577.0 158:158.0 160:108.0 161:4.0 162:12.0 171:6.0 172:14.0 178:4.0 185:47.0 186:8.0 188:33.0 189:11.0 190:8.0 197:5.0 198:2.0 203:18.0 204:85.0 207:10.0 208:3.0 213:11.0 221:11.0 223:3.0 243:14.0 249:20.0 250:1.0 251:1.0 305:4.0 331:28.0 333:14.0 334:5.0 348:14.0 392:12.0 397:17.0 423:25.0 436:12.0 443:9.0 471:9.0 473:18.0 489:1.0 319 22329_urea 22329 332913 85:909.0 86:480.0 87:2088.0 88:270.0 89:261.0 90:103.0 91:370.0 92:189.0 98:128.0 99:5450.0 100:2969.0 101:723.0 102:453.0 105:15.0 109:1.0 110:167.0 111:355.0 112:66.0 113:419.0 114:580.0 115:280.0 116:227.0 117:418.0 118:204.0 119:37.0 126:66.0 128:58.0 130:1672.0 131:1022.0 132:911.0 133:155.0 136:25.0 139:32.0 140:58.0 141:95.0 142:3.0 143:224.0 146:996.0 147:18351.0 148:3137.0 149:1153.0 150:63.0 151:10.0 155:376.0 156:74.0 157:397.0 168:5.0 171:10664.0 172:2016.0 173:1824.0 174:234.0 175:44.0 176:7.0 183:13.0 184:147.0 185:66.0 186:709.0 187:204.0 188:61.0 189:7390.0 190:1358.0 191:443.0 197:15.0 198:20.0 200:7.0 204:229.0 213:25.0 215:6.0 220:7.0 230:20.0 238:3.0 254:4.0 259:5.0 261:8.0 277:7.0 283:23.0 287:6.0 288:19.0 303:7.0 311:16.0 314:1.0 328:32.0 330:1.0 353:7.0 355:2.0 357:15.0 363:21.0 370:15.0 371:20.0 374:6.0 376:1.0 385:8.0 402:4.0 406:21.0 418:9.0 435:1.0 438:16.0 447:4.0 448:1.0 465:4.0 466:2.0 470:4.0 481:12.0 483:2.0 495:1.0 359 2254_2,5-dihydroxypyrazine NIST 2254 397526 85:168.0 86:172.0 87:115.0 93:14.0 97:710.0 98:27.0 100:66.0 108:4.0 109:15.0 111:179.0 113:419.0 114:172.0 115:562.0 127:101.0 128:126.0 129:169.0 130:13.0 140:38.0 144:10.0 145:499.0 146:11.0 167:155.0 168:17.0 172:5.0 174:1.0 177:4.0 182:157.0 183:31.0 197:1.0 211:11.0 213:6.0 215:3.0 241:1811.0 242:397.0 243:132.0 255:138.0 256:387.0 257:73.0 258:12.0 302:5.0 311:2.0 328:1.0 337:1.0 395:8.0 406:4.0 455:3.0 465:4.0 189 23042_squalene 23042 976237 85:30.0 86:24.0 89:29.0 91:1210.0 92:419.0 93:2657.0 94:934.0 95:3637.0 96:426.0 97:225.0 105:675.0 106:136.0 107:1531.0 108:365.0 109:1353.0 110:180.0 111:108.0 112:7.0 115:78.0 116:94.0 117:38.0 118:27.0 119:622.0 120:164.0 121:1823.0 122:370.0 123:1104.0 124:151.0 125:39.0 128:103.0 129:12.0 131:224.0 132:45.0 133:266.0 134:264.0 135:782.0 136:1304.0 137:1202.0 138:116.0 139:4.0 140:15.0 141:17.0 142:2.0 144:84.0 145:52.0 147:168.0 148:33.0 149:745.0 150:122.0 151:59.0 152:15.0 153:16.0 154:15.0 158:4.0 159:86.0 161:201.0 162:91.0 163:152.0 164:36.0 173:54.0 175:184.0 176:20.0 177:98.0 181:2.0 186:3.0 188:10.0 189:159.0 190:55.0 191:91.0 192:101.0 193:34.0 195:2.0 198:32.0 201:11.0 203:119.0 204:97.0 205:16.0 206:1.0 207:105.0 208:16.0 215:34.0 216:11.0 217:60.0 218:30.0 219:3.0 220:13.0 223:11.0 225:3.0 227:5.0 231:54.0 234:13.0 245:6.0 248:13.0 250:13.0 251:9.0 253:20.0 256:12.0 257:24.0 261:15.0 272:10.0 273:7.0 276:2.0 290:5.0 291:4.0 292:4.0 293:1.0 294:1.0 296:6.0 308:5.0 312:2.0 316:14.0 326:4.0 328:12.0 331:2.0 338:26.0 341:25.0 343:11.0 347:16.0 353:8.0 355:22.0 356:6.0 360:22.0 361:38.0 365:2.0 366:26.0 367:7.0 368:33.0 374:3.0 378:2.0 379:9.0 380:12.0 387:3.0 388:44.0 390:6.0 394:16.0 395:40.0 402:7.0 403:8.0 404:6.0 407:3.0 411:8.0 417:4.0 419:23.0 420:16.0 429:8.0 430:17.0 432:6.0 434:6.0 443:17.0 456:7.0 457:2.0 458:10.0 461:22.0 462:5.0 465:1.0 467:14.0 472:22.0 474:22.0 477:7.0 478:10.0 479:7.0 486:12.0 487:5.0 492:13.0 496:15.0 498:22.0 499:11.0 191 231_xylose 231 546699 85:303.0 86:445.0 87:365.0 88:302.0 89:3272.0 90:311.0 91:175.0 94:67.0 98:180.0 100:981.0 101:1295.0 102:627.0 103:28581.0 104:2349.0 105:2067.0 106:84.0 107:93.0 109:41.0 110:139.0 111:123.0 112:95.0 113:247.0 114:528.0 115:515.0 116:333.0 117:974.0 118:211.0 119:228.0 120:59.0 121:36.0 122:19.0 124:42.0 125:54.0 126:190.0 127:198.0 128:240.0 129:1569.0 130:606.0 131:1210.0 133:3371.0 134:539.0 135:301.0 136:67.0 138:43.0 139:63.0 140:86.0 141:92.0 142:197.0 143:474.0 144:132.0 145:190.0 146:63.0 147:10038.0 148:1511.0 149:963.0 150:98.0 151:65.0 152:51.0 153:17.0 154:61.0 155:89.0 156:55.0 157:101.0 158:242.0 159:64.0 160:1806.0 161:368.0 162:119.0 163:384.0 164:92.0 165:52.0 166:33.0 167:51.0 168:237.0 170:80.0 171:41.0 172:98.0 173:191.0 174:301.0 175:254.0 176:38.0 177:107.0 178:32.0 180:33.0 182:43.0 183:24.0 184:83.0 185:40.0 186:56.0 188:32.0 189:1895.0 190:370.0 191:672.0 192:130.0 193:74.0 194:29.0 195:26.0 196:35.0 197:44.0 198:177.0 200:101.0 201:37.0 202:76.0 203:142.0 204:706.0 205:739.0 206:217.0 207:191.0 208:43.0 212:64.0 215:71.0 216:216.0 217:8693.0 218:1618.0 219:676.0 220:130.0 221:166.0 222:55.0 223:23.0 224:26.0 226:23.0 228:51.0 229:68.0 230:58.0 231:181.0 232:99.0 233:380.0 234:220.0 235:88.0 239:41.0 240:73.0 242:84.0 243:79.0 244:44.0 247:48.0 248:51.0 251:28.0 252:41.0 253:21.0 254:43.0 255:36.0 256:141.0 259:72.0 260:48.0 261:19.0 262:168.0 263:87.0 264:34.0 265:30.0 270:34.0 271:34.0 272:61.0 273:51.0 274:57.0 275:43.0 276:23.0 277:513.0 278:203.0 279:97.0 280:52.0 283:34.0 286:16.0 288:79.0 289:16.0 291:67.0 292:30.0 293:30.0 295:36.0 296:18.0 300:28.0 304:27.0 306:77.0 307:1973.0 308:588.0 309:290.0 310:40.0 311:38.0 312:31.0 313:24.0 318:27.0 319:37.0 320:22.0 322:20.0 325:37.0 328:65.0 330:95.0 331:82.0 332:33.0 333:49.0 335:34.0 336:28.0 338:21.0 339:23.0 340:17.0 341:14.0 343:42.0 344:32.0 346:40.0 347:26.0 348:29.0 349:34.0 352:45.0 353:55.0 354:28.0 355:30.0 356:21.0 357:28.0 358:44.0 359:38.0 360:25.0 361:38.0 362:69.0 364:53.0 365:43.0 366:47.0 368:27.0 369:36.0 370:37.0 371:50.0 372:20.0 374:40.0 375:34.0 376:38.0 379:23.0 380:22.0 382:35.0 384:26.0 385:22.0 386:13.0 387:21.0 389:19.0 390:22.0 394:39.0 395:29.0 396:24.0 397:35.0 400:30.0 401:24.0 402:21.0 403:37.0 404:25.0 406:37.0 407:25.0 408:26.0 409:17.0 410:48.0 414:18.0 416:16.0 422:20.0 426:36.0 433:24.0 434:38.0 435:37.0 437:24.0 440:22.0 441:26.0 445:46.0 447:29.0 449:40.0 451:11.0 452:44.0 453:39.0 454:57.0 455:37.0 456:25.0 457:44.0 458:28.0 459:27.0 461:56.0 462:40.0 463:41.0 466:35.0 468:37.0 470:30.0 471:17.0 473:18.0 477:26.0 478:17.0 480:11.0 481:27.0 482:22.0 484:48.0 486:28.0 487:19.0 491:22.0 492:18.0 494:31.0 497:23.0 499:25.0 103 233_lyxitol 233 573587 85:649.0 86:59.0 87:142.0 88:75.0 89:607.0 95:25.0 97:25.0 99:247.0 100:57.0 101:550.0 102:92.0 103:6136.0 104:480.0 105:198.0 106:44.0 111:98.0 112:73.0 113:193.0 114:48.0 115:140.0 116:225.0 117:3144.0 118:289.0 119:258.0 120:15.0 127:102.0 129:2235.0 130:260.0 131:777.0 133:1341.0 134:87.0 135:42.0 141:89.0 143:195.0 144:16.0 145:61.0 147:6082.0 148:964.0 149:538.0 150:39.0 151:43.0 157:231.0 158:21.0 160:137.0 177:54.0 189:540.0 190:85.0 191:309.0 203:174.0 204:488.0 205:1376.0 206:216.0 207:96.0 217:3703.0 218:809.0 219:291.0 220:32.0 221:109.0 225:17.0 226:17.0 231:27.0 233:18.0 243:85.0 244:50.0 258:24.0 261:22.0 265:13.0 267:18.0 277:132.0 278:58.0 279:41.0 280:13.0 287:16.0 289:17.0 306:27.0 307:408.0 308:138.0 309:59.0 319:290.0 320:103.0 321:74.0 358:14.0 372:24.0 217 24347_myo-inositol 24347 731021 85:18.0 87:302.0 88:118.0 89:248.0 90:4.0 92:38.0 94:27.0 97:55.0 98:95.0 99:262.0 100:138.0 101:281.0 102:26.0 103:2005.0 104:329.0 105:137.0 107:121.0 108:50.0 109:101.0 110:52.0 111:293.0 112:95.0 113:237.0 114:92.0 115:34.0 116:48.0 117:1103.0 118:43.0 119:114.0 120:67.0 121:65.0 126:63.0 127:302.0 128:177.0 129:2516.0 130:107.0 131:804.0 132:51.0 133:1882.0 134:82.0 136:2.0 139:1.0 140:48.0 141:71.0 142:44.0 143:662.0 144:88.0 145:54.0 147:6775.0 148:1254.0 150:295.0 151:27.0 153:105.0 155:105.0 157:589.0 158:267.0 159:41.0 161:226.0 165:37.0 167:44.0 168:22.0 170:1.0 171:88.0 172:15.0 173:71.0 175:6.0 177:72.0 178:55.0 179:12.0 183:111.0 184:29.0 186:67.0 187:65.0 189:778.0 190:102.0 191:2938.0 192:464.0 193:329.0 194:13.0 196:19.0 201:46.0 202:13.0 203:226.0 204:388.0 205:898.0 206:199.0 207:358.0 208:77.0 212:2.0 215:168.0 217:5312.0 218:1150.0 219:238.0 220:91.0 221:651.0 222:160.0 223:128.0 224:31.0 227:133.0 228:35.0 229:206.0 230:87.0 231:184.0 232:57.0 233:12.0 237:16.0 242:13.0 244:30.0 246:95.0 247:2.0 249:21.0 250:10.0 253:2.0 255:94.0 258:16.0 260:36.0 261:2.0 263:57.0 265:799.0 266:256.0 267:97.0 268:5.0 269:18.0 272:27.0 277:216.0 278:69.0 279:37.0 282:27.0 285:2.0 291:142.0 292:135.0 293:65.0 303:2.0 304:40.0 305:2233.0 306:756.0 307:447.0 308:33.0 309:24.0 317:17.0 318:1442.0 319:403.0 320:340.0 321:9.0 322:145.0 323:50.0 324:30.0 325:12.0 329:5.0 331:73.0 332:32.0 333:38.0 335:19.0 343:49.0 344:71.0 345:101.0 346:3.0 347:8.0 348:33.0 351:3.0 364:10.0 365:17.0 367:71.0 368:11.0 369:15.0 391:5.0 393:42.0 395:2.0 398:3.0 408:6.0 409:45.0 413:8.0 419:165.0 420:48.0 421:51.0 422:105.0 423:68.0 432:157.0 433:117.0 434:111.0 442:8.0 453:18.0 462:6.0 475:5.0 488:3.0 495:27.0 85 25_serine 25 395020 85:536.0 86:1604.0 87:945.0 88:1874.0 89:1384.0 90:199.0 91:148.0 95:84.0 97:103.0 98:189.0 99:283.0 100:23226.0 101:3557.0 102:1780.0 103:3612.0 104:267.0 105:217.0 109:46.0 110:192.0 112:43.0 113:186.0 114:2146.0 115:2068.0 116:7090.0 117:3142.0 118:630.0 119:872.0 120:104.0 122:24.0 125:17.0 128:249.0 129:255.0 130:1752.0 131:2506.0 132:2800.0 133:5975.0 134:1177.0 135:499.0 141:90.0 142:206.0 143:121.0 144:668.0 145:32.0 146:414.0 147:14531.0 148:2504.0 149:1227.0 150:126.0 157:40.0 158:390.0 159:310.0 160:296.0 161:122.0 162:43.0 163:590.0 164:121.0 165:70.0 166:84.0 169:7.0 172:402.0 173:143.0 174:860.0 175:147.0 184:25.0 185:40.0 187:24.0 188:5324.0 189:1923.0 190:881.0 191:276.0 195:12.0 197:63.0 202:45.0 203:554.0 204:28685.0 205:5213.0 206:2037.0 207:190.0 208:13.0 216:814.0 217:197.0 218:15869.0 219:2802.0 220:1080.0 221:283.0 222:88.0 231:55.0 242:14.0 246:39.0 263:14.0 265:31.0 267:39.0 278:1032.0 279:303.0 280:81.0 306:362.0 307:69.0 308:81.0 310:24.0 315:34.0 329:13.0 359:32.0 360:29.0 441:16.0 450:22.0 451:17.0 489:25.0 490:9.0 492:26.0 494:28.0 498:18.0 500:20.0 305 2546_UDP-N-acetylglucosamine 2546 623789 85:264.0 88:32.0 89:406.0 92:59.0 99:105.0 100:164.0 101:582.0 102:92.0 103:1202.0 106:18.0 108:44.0 110:219.0 111:74.0 112:32.0 113:250.0 114:282.0 115:146.0 116:5547.0 117:2430.0 118:296.0 120:15.0 124:26.0 125:13.0 127:94.0 128:278.0 129:910.0 130:196.0 131:407.0 132:326.0 133:847.0 136:3.0 137:68.0 139:19.0 140:90.0 141:128.0 143:321.0 144:6.0 146:74.0 147:2388.0 148:173.0 149:445.0 150:61.0 151:5.0 154:12.0 155:84.0 156:26.0 158:77.0 159:3.0 160:5.0 161:30.0 163:185.0 164:10.0 165:46.0 168:219.0 169:52.0 170:457.0 173:329.0 174:443.0 175:84.0 176:36.0 177:103.0 178:33.0 181:41.0 182:195.0 183:48.0 184:89.0 185:70.0 186:21.0 188:92.0 189:553.0 190:18.0 191:1222.0 192:59.0 195:34.0 196:68.0 197:89.0 198:270.0 199:19.0 200:6.0 202:165.0 203:403.0 204:878.0 205:195.0 206:29.0 209:54.0 210:66.0 211:95.0 212:1.0 215:4.0 216:106.0 217:1246.0 218:828.0 219:133.0 222:8.0 223:6.0 224:86.0 226:582.0 227:91.0 229:39.0 230:114.0 231:440.0 232:67.0 233:207.0 234:44.0 238:48.0 239:29.0 240:9.0 242:51.0 243:70.0 247:39.0 250:3.0 254:15.0 255:56.0 256:85.0 258:76.0 259:8.0 260:43.0 268:5.0 271:71.0 272:48.0 283:3.0 285:46.0 288:28.0 289:4.0 296:50.0 297:24.0 298:7.0 299:52.0 300:109.0 301:129.0 302:1.0 305:47.0 311:471.0 312:34.0 313:17.0 314:49.0 316:11.0 317:9.0 318:134.0 320:22.0 327:20.0 329:208.0 331:15.0 333:14.0 334:1.0 335:10.0 346:7.0 349:11.0 354:7.0 356:97.0 361:3.0 368:14.0 373:2.0 375:9.0 379:14.0 387:6.0 401:188.0 402:55.0 403:100.0 404:22.0 408:12.0 418:4.0 434:18.0 436:27.0 441:20.0 444:4.0 450:22.0 453:11.0 455:36.0 469:20.0 472:1.0 477:9.0 479:16.0 480:8.0 194 255_hexitol 255 704741 85:79.0 88:37.0 92:32.0 94:14.0 97:41.0 99:235.0 100:26.0 101:41.0 102:73.0 103:1566.0 104:206.0 105:96.0 109:97.0 110:36.0 111:111.0 112:66.0 113:39.0 114:55.0 115:112.0 116:320.0 117:397.0 118:41.0 119:91.0 127:84.0 129:2437.0 130:240.0 131:990.0 132:120.0 133:2109.0 135:188.0 136:36.0 138:15.0 141:58.0 142:51.0 143:712.0 144:95.0 146:64.0 147:9643.0 148:1032.0 149:1104.0 150:133.0 151:66.0 153:37.0 154:15.0 155:45.0 156:56.0 157:114.0 158:38.0 159:64.0 162:22.0 163:54.0 165:18.0 169:33.0 171:28.0 172:20.0 173:32.0 175:121.0 176:49.0 177:65.0 178:54.0 180:19.0 181:27.0 182:35.0 183:24.0 185:56.0 186:24.0 187:39.0 188:28.0 189:431.0 190:280.0 191:2851.0 192:494.0 193:203.0 194:46.0 195:24.0 196:20.0 199:31.0 202:25.0 203:33.0 204:2084.0 205:484.0 206:209.0 207:184.0 208:54.0 209:29.0 210:49.0 213:49.0 214:30.0 216:52.0 217:4285.0 218:777.0 219:295.0 222:73.0 223:57.0 225:24.0 228:21.0 229:8.0 230:158.0 233:26.0 235:39.0 237:36.0 243:68.0 245:37.0 246:36.0 247:35.0 248:31.0 249:20.0 250:15.0 253:24.0 255:58.0 257:49.0 258:44.0 259:29.0 262:31.0 264:36.0 265:224.0 266:50.0 267:60.0 268:28.0 269:38.0 271:33.0 278:32.0 279:39.0 280:25.0 281:34.0 282:14.0 283:18.0 285:17.0 287:71.0 289:31.0 290:18.0 291:203.0 292:92.0 293:144.0 294:16.0 297:26.0 302:38.0 304:74.0 305:2094.0 306:618.0 307:304.0 314:18.0 317:125.0 318:2595.0 319:905.0 320:416.0 321:110.0 323:29.0 324:22.0 336:25.0 338:25.0 344:38.0 353:16.0 357:21.0 360:29.0 361:29.0 362:27.0 365:15.0 367:52.0 368:39.0 373:25.0 379:31.0 381:27.0 385:15.0 386:24.0 388:23.0 393:128.0 394:66.0 400:21.0 407:31.0 414:47.0 418:36.0 419:13.0 421:18.0 426:34.0 433:58.0 437:23.0 438:24.0 439:24.0 440:21.0 442:30.0 444:25.0 448:31.0 449:48.0 451:28.0 452:18.0 456:19.0 458:26.0 459:31.0 477:24.0 478:17.0 484:34.0 487:27.0 489:20.0 491:18.0 492:17.0 495:28.0 499:13.0 226 25922_2-hydroxyvaleric acid 25922 309587 85:783.0 86:12.0 89:96.0 95:343.0 99:185.0 101:10.0 110:16.0 113:33.0 115:380.0 116:57.0 117:78.0 127:85.0 130:28.0 131:2537.0 132:259.0 133:199.0 147:2527.0 148:299.0 149:168.0 189:23.0 200:55.0 204:42.0 205:87.0 247:159.0 441 26_threonine 26 409568 85:1692.0 86:5629.0 87:4799.0 88:907.0 89:613.0 90:123.0 91:125.0 93:55.0 94:68.0 96:272.0 97:242.0 98:1238.0 99:967.0 100:21870.0 101:36969.0 102:6991.0 103:4765.0 104:575.0 105:736.0 106:101.0 111:100.0 112:872.0 113:501.0 114:4912.0 115:4479.0 116:1288.0 117:46070.0 118:5398.0 119:3251.0 120:305.0 121:156.0 126:135.0 128:12161.0 129:12490.0 130:8064.0 131:8458.0 132:8775.0 133:10819.0 134:1884.0 135:880.0 136:136.0 139:19.0 140:219.0 142:282.0 143:216.0 144:1122.0 145:290.0 146:1109.0 147:24341.0 148:4301.0 149:2911.0 150:372.0 151:180.0 154:41.0 155:28.0 156:285.0 157:199.0 158:1106.0 159:1939.0 160:1612.0 161:499.0 162:204.0 163:461.0 164:114.0 165:79.0 166:33.0 167:26.0 170:26.0 171:56.0 172:607.0 173:183.0 174:977.0 175:243.0 176:357.0 177:812.0 178:131.0 179:83.0 180:28.0 181:24.0 186:646.0 187:138.0 188:490.0 189:246.0 190:286.0 191:748.0 192:106.0 193:88.0 195:40.0 199:17.0 200:99.0 201:76.0 202:3553.0 203:4276.0 204:1434.0 205:609.0 206:184.0 210:19.0 213:28.0 214:22.0 216:254.0 217:153.0 218:25039.0 219:23895.0 220:5558.0 221:2134.0 222:393.0 223:162.0 226:30.0 230:534.0 231:169.0 232:206.0 236:18.0 241:20.0 245:34.0 246:24.0 248:164.0 249:47.0 262:14.0 276:84.0 277:33.0 290:40.0 291:5038.0 292:3624.0 293:1318.0 294:374.0 295:33.0 296:46.0 317:13.0 319:22.0 320:510.0 321:149.0 322:69.0 325:24.0 326:13.0 370:15.0 402:19.0 435:21.0 439:18.0 444:16.0 445:15.0 452:17.0 458:22.0 474:14.0 131 26754_cytidine-5-monophosphate NIST 26754 973708 85:136.0 90:48.0 91:438.0 93:118.0 95:106.0 97:66.0 98:85.0 99:365.0 101:26.0 109:49.0 113:56.0 116:647.0 117:507.0 121:9.0 124:72.0 125:15.0 127:310.0 128:363.0 129:46.0 131:75.0 133:229.0 134:3.0 140:40.0 142:60.0 144:235.0 147:1492.0 148:52.0 165:12.0 168:87.0 169:5300.0 170:611.0 171:529.0 173:29.0 177:144.0 180:47.0 181:184.0 183:425.0 185:14.0 192:25.0 193:354.0 194:38.0 195:255.0 196:24.0 197:173.0 198:181.0 199:29.0 202:18.0 205:95.0 207:177.0 208:101.0 211:1048.0 212:293.0 213:39.0 215:495.0 216:62.0 217:476.0 218:12.0 223:62.0 225:142.0 226:24.0 227:388.0 229:112.0 230:441.0 231:22.0 232:47.0 233:77.0 238:30.0 240:60.0 243:400.0 244:22.0 251:134.0 252:27.0 253:89.0 257:22.0 258:19.0 259:65.0 261:3.0 274:21.0 277:25.0 281:45.0 283:46.0 285:70.0 292:6.0 294:144.0 295:27.0 296:2.0 298:1.0 299:1005.0 300:228.0 301:149.0 304:23.0 306:52.0 311:94.0 313:7.0 314:107.0 315:2039.0 316:456.0 317:231.0 319:83.0 320:38.0 322:2.0 326:21.0 327:95.0 328:7.0 329:69.0 359:6.0 361:132.0 364:1.0 369:6.0 370:37.0 371:89.0 377:37.0 383:45.0 385:19.0 394:14.0 395:16.0 415:11.0 417:14.0 428:20.0 429:14.0 445:9.0 467:12.0 475:7.0 481:8.0 488:36.0 491:8.0 105 2787_cysteine-glycine 2787 715335 85:185.0 86:404.0 88:100.0 90:67.0 91:332.0 92:34.0 94:53.0 97:57.0 98:151.0 99:49.0 100:1375.0 101:377.0 102:262.0 103:390.0 104:15.0 105:20.0 107:142.0 110:50.0 112:23.0 113:69.0 114:78.0 115:367.0 116:813.0 118:39.0 126:62.0 129:25.0 130:279.0 131:65.0 132:916.0 134:134.0 135:1.0 141:102.0 142:99.0 144:44.0 146:198.0 147:351.0 148:451.0 154:30.0 155:46.0 157:102.0 158:256.0 159:18.0 160:51.0 172:591.0 173:91.0 174:739.0 175:61.0 176:92.0 184:106.0 185:132.0 186:10.0 190:1.0 197:1.0 199:28.0 200:48.0 204:65.0 213:6.0 217:49.0 218:12.0 220:4383.0 221:868.0 222:561.0 223:12.0 232:4.0 233:9.0 252:6.0 258:3.0 263:6.0 270:4.0 271:17.0 273:14.0 275:620.0 276:137.0 277:59.0 279:4.0 287:2.0 290:28.0 292:19.0 293:41.0 299:15.0 309:6.0 324:14.0 346:2.0 351:24.0 357:1.0 361:43.0 369:24.0 379:49.0 402:1.0 411:21.0 429:9.0 445:10.0 448:2.0 450:13.0 461:5.0 463:4.0 465:8.0 486:8.0 328 28_glutamic acid 28 529100 85:1143.0 86:983.0 87:725.0 88:453.0 89:313.0 90:36.0 91:51.0 95:189.0 96:269.0 97:224.0 98:467.0 99:626.0 100:5243.0 101:1252.0 102:493.0 103:1043.0 104:79.0 105:259.0 108:335.0 109:58.0 110:448.0 111:44.0 112:737.0 113:669.0 114:1398.0 115:911.0 116:669.0 117:712.0 118:217.0 119:303.0 120:26.0 122:179.0 123:41.0 125:90.0 126:202.0 127:190.0 128:17149.0 129:3445.0 130:1476.0 131:1330.0 132:969.0 133:3394.0 134:466.0 135:117.0 139:66.0 140:2017.0 141:344.0 142:289.0 143:479.0 144:208.0 145:181.0 146:73.0 147:12395.0 148:1869.0 149:2656.0 150:257.0 151:102.0 152:182.0 153:58.0 154:124.0 155:158.0 156:9249.0 157:1356.0 158:1273.0 159:344.0 160:91.0 161:30.0 163:60.0 164:48.0 165:46.0 168:93.0 170:90.0 172:163.0 173:126.0 174:375.0 175:16.0 176:12.0 177:67.0 179:59.0 180:166.0 184:7.0 185:48.0 186:82.0 188:139.0 189:92.0 190:42.0 191:50.0 192:24.0 195:102.0 196:48.0 197:42.0 199:41.0 200:39.0 202:206.0 203:133.0 204:691.0 205:186.0 206:69.0 214:316.0 216:158.0 218:917.0 219:152.0 220:106.0 221:127.0 228:111.0 229:56.0 230:3305.0 231:516.0 232:210.0 234:35.0 241:24.0 242:12.0 245:258.0 246:17742.0 247:3507.0 248:1253.0 249:165.0 254:76.0 258:309.0 259:1.0 274:179.0 276:36.0 279:16.0 285:15.0 289:9.0 294:13.0 299:51.0 302:15.0 304:18.0 307:61.0 320:6.0 321:42.0 324:8.0 332:17.0 348:537.0 349:201.0 350:27.0 363:189.0 365:57.0 380:18.0 392:22.0 402:24.0 403:14.0 405:16.0 447:18.0 468:17.0 489:19.0 491:13.0 220 28_glutamic acid** 28 529100 85:1143.0 86:983.0 87:725.0 88:453.0 89:313.0 90:36.0 91:51.0 95:189.0 96:269.0 97:224.0 98:467.0 99:626.0 100:5243.0 101:1252.0 102:493.0 103:1043.0 104:79.0 105:259.0 108:335.0 109:58.0 110:448.0 111:44.0 112:737.0 113:669.0 114:1398.0 115:911.0 116:669.0 117:712.0 118:217.0 119:303.0 120:26.0 122:179.0 123:41.0 125:90.0 126:202.0 127:190.0 128:17149.0 129:3445.0 130:1476.0 131:1330.0 132:969.0 133:3394.0 134:466.0 135:117.0 139:66.0 140:2017.0 141:344.0 142:289.0 143:479.0 144:208.0 145:181.0 146:73.0 147:12395.0 148:1869.0 149:2656.0 150:257.0 151:102.0 152:182.0 153:58.0 154:124.0 155:158.0 156:9249.0 157:1356.0 158:1273.0 159:344.0 160:91.0 161:30.0 163:60.0 164:48.0 165:46.0 168:93.0 170:90.0 172:163.0 173:126.0 174:375.0 175:16.0 176:12.0 177:67.0 179:59.0 180:166.0 184:7.0 185:48.0 186:82.0 188:139.0 189:92.0 190:42.0 191:50.0 192:24.0 195:102.0 196:48.0 197:42.0 199:41.0 200:39.0 202:206.0 203:133.0 204:691.0 205:186.0 206:69.0 214:316.0 216:158.0 218:917.0 219:152.0 220:106.0 221:127.0 228:111.0 229:56.0 230:3305.0 231:516.0 232:210.0 234:35.0 241:24.0 242:12.0 245:258.0 246:17742.0 247:3507.0 248:1253.0 249:165.0 254:76.0 258:309.0 259:1.0 274:179.0 276:36.0 279:16.0 285:15.0 289:9.0 294:13.0 299:51.0 302:15.0 304:18.0 307:61.0 320:6.0 321:42.0 324:8.0 332:17.0 348:537.0 349:201.0 350:27.0 363:189.0 365:57.0 380:18.0 392:22.0 402:24.0 403:14.0 405:16.0 447:18.0 468:17.0 489:19.0 491:13.0 246 281_putrescine 281 588872 85:106.0 86:1644.0 87:360.0 90:37.0 91:47.0 93:72.0 97:52.0 98:91.0 99:275.0 100:967.0 101:186.0 102:150.0 103:37.0 109:33.0 112:104.0 113:119.0 114:216.0 115:58.0 116:210.0 117:183.0 120:49.0 122:31.0 124:24.0 126:119.0 129:53.0 130:512.0 131:209.0 132:150.0 133:84.0 136:45.0 138:29.0 139:37.0 142:233.0 143:70.0 144:75.0 146:99.0 149:45.0 151:30.0 152:18.0 154:31.0 156:39.0 158:99.0 159:27.0 160:62.0 161:42.0 164:30.0 168:34.0 170:51.0 172:352.0 174:6578.0 175:890.0 176:445.0 181:26.0 185:11.0 187:84.0 197:19.0 200:334.0 208:41.0 214:411.0 215:45.0 220:34.0 224:46.0 231:24.0 241:41.0 242:28.0 245:28.0 247:13.0 260:37.0 263:31.0 267:37.0 275:24.0 279:19.0 280:30.0 281:41.0 284:28.0 287:26.0 291:31.0 292:29.0 293:44.0 301:33.0 306:26.0 309:23.0 313:23.0 314:14.0 321:37.0 324:23.0 325:24.0 326:17.0 327:26.0 328:17.0 329:39.0 330:43.0 331:19.0 336:24.0 337:16.0 338:40.0 342:49.0 347:22.0 348:23.0 350:41.0 352:35.0 356:32.0 361:56.0 363:44.0 365:24.0 367:10.0 368:52.0 369:32.0 371:25.0 373:21.0 374:78.0 375:38.0 376:46.0 378:34.0 379:33.0 380:13.0 381:43.0 382:24.0 383:12.0 385:29.0 392:18.0 393:44.0 394:39.0 396:21.0 398:34.0 399:27.0 400:13.0 401:40.0 404:31.0 409:23.0 410:57.0 412:6.0 416:24.0 418:17.0 419:43.0 420:34.0 424:24.0 437:40.0 440:13.0 445:23.0 462:26.0 467:36.0 469:12.0 471:26.0 483:13.0 485:25.0 487:17.0 489:54.0 490:37.0 492:38.0 494:22.0 499:40.0 246 282_propane-1,3-diol NIST 282 214380 85:801.0 86:145.0 87:673.0 99:342.0 100:269.0 101:1134.0 102:390.0 103:1442.0 104:191.0 105:263.0 113:55.0 115:7165.0 116:474.0 119:330.0 129:59.0 130:5199.0 131:1969.0 133:1784.0 135:367.0 145:32.0 147:17505.0 148:2962.0 149:1307.0 150:157.0 151:34.0 163:52.0 164:30.0 176:36.0 177:1417.0 178:147.0 179:81.0 180:21.0 183:38.0 186:23.0 192:22.0 201:32.0 203:21.0 205:278.0 213:45.0 227:17.0 231:24.0 235:29.0 241:30.0 251:33.0 269:24.0 279:50.0 286:13.0 353:13.0 356:13.0 371:32.0 374:26.0 379:17.0 391:22.0 396:18.0 405:19.0 406:20.0 417:18.0 419:22.0 435:15.0 436:24.0 446:13.0 500:20.0 169 2849_homoserine 2849 443878 101:66.0 102:400.0 103:4169.0 104:311.0 105:88.0 108:5.0 113:20.0 114:56.0 115:64.0 116:6.0 117:924.0 118:50.0 125:1.0 128:3071.0 129:503.0 130:734.0 131:345.0 132:149.0 133:513.0 134:269.0 135:55.0 139:3.0 140:11.0 141:19.0 145:11.0 146:159.0 147:1347.0 148:40.0 149:294.0 157:459.0 158:17.0 159:17.0 172:20.0 177:38.0 180:8.0 184:17.0 185:46.0 191:9.0 199:4.0 200:1.0 202:287.0 204:73.0 208:3.0 216:33.0 217:9.0 218:3547.0 219:769.0 220:483.0 221:25.0 230:115.0 231:60.0 237:1.0 247:163.0 254:6.0 264:1.0 266:15.0 292:97.0 294:8.0 299:29.0 300:28.0 317:12.0 327:2.0 335:1.0 347:2.0 374:15.0 386:1.0 421:11.0 424:3.0 435:18.0 455:2.0 460:1.0 468:10.0 477:7.0 484:18.0 217 288_citric acid 288 617342 85:108.0 87:167.0 88:92.0 89:136.0 92:58.0 93:86.0 95:193.0 96:108.0 97:78.0 99:605.0 100:143.0 101:223.0 102:92.0 103:336.0 104:70.0 105:58.0 109:24.0 110:55.0 111:256.0 112:15.0 114:87.0 115:639.0 116:312.0 117:522.0 118:105.0 119:62.0 120:32.0 124:17.0 125:53.0 126:49.0 127:177.0 128:22.0 129:915.0 131:952.0 132:92.0 133:1929.0 134:60.0 135:258.0 136:35.0 137:44.0 139:90.0 140:83.0 141:331.0 142:86.0 143:477.0 144:77.0 145:76.0 146:47.0 147:10067.0 148:1778.0 149:1131.0 150:225.0 151:7.0 152:37.0 153:16.0 155:64.0 156:38.0 157:237.0 158:61.0 159:72.0 160:57.0 161:96.0 162:22.0 163:183.0 164:27.0 165:59.0 166:35.0 167:23.0 168:16.0 169:129.0 170:11.0 171:168.0 172:64.0 173:128.0 174:50.0 175:66.0 177:28.0 178:42.0 179:36.0 182:29.0 183:1284.0 184:180.0 185:362.0 186:68.0 187:31.0 188:26.0 189:120.0 190:135.0 191:107.0 192:45.0 193:28.0 195:34.0 196:25.0 197:16.0 198:22.0 199:13.0 200:24.0 201:86.0 202:21.0 204:64.0 205:91.0 207:168.0 210:13.0 211:1318.0 212:188.0 213:146.0 215:221.0 217:281.0 218:68.0 221:479.0 222:99.0 223:38.0 227:35.0 228:49.0 229:92.0 230:87.0 231:131.0 233:43.0 234:40.0 237:17.0 240:19.0 242:17.0 243:20.0 245:53.0 246:24.0 247:19.0 249:25.0 250:23.0 253:19.0 256:18.0 257:581.0 259:94.0 260:49.0 262:16.0 267:28.0 268:44.0 269:27.0 271:44.0 272:64.0 273:4585.0 274:923.0 275:418.0 276:93.0 277:45.0 278:30.0 279:22.0 283:37.0 285:183.0 287:95.0 289:27.0 290:23.0 292:21.0 298:25.0 300:27.0 301:92.0 302:68.0 303:84.0 304:55.0 305:240.0 306:21.0 307:23.0 308:16.0 312:30.0 320:6.0 322:31.0 325:26.0 326:12.0 329:18.0 330:24.0 331:44.0 332:21.0 335:42.0 337:12.0 343:20.0 346:38.0 347:722.0 348:178.0 349:50.0 350:35.0 355:20.0 356:13.0 358:12.0 363:419.0 364:156.0 365:44.0 367:29.0 370:19.0 374:37.0 375:555.0 376:155.0 379:17.0 396:37.0 400:33.0 407:23.0 420:20.0 423:23.0 429:17.0 437:28.0 439:31.0 448:42.0 449:41.0 450:16.0 452:31.0 455:26.0 456:19.0 457:27.0 459:32.0 461:28.0 462:28.0 464:32.0 465:80.0 467:9.0 469:42.0 472:23.0 473:25.0 474:23.0 476:34.0 477:20.0 482:28.0 486:35.0 488:28.0 491:30.0 492:25.0 499:16.0 500:39.0 218 29_aconitic acid 29 586815 85:823.0 86:194.0 87:662.0 88:337.0 89:711.0 90:119.0 91:200.0 93:1018.0 94:224.0 95:1683.0 96:1733.0 97:6038.0 98:1174.0 99:1242.0 100:178.0 101:600.0 102:310.0 103:1548.0 104:242.0 105:655.0 107:259.0 108:172.0 109:241.0 110:546.0 111:911.0 112:674.0 113:694.0 115:1207.0 116:392.0 117:2280.0 118:273.0 119:1093.0 120:174.0 121:326.0 122:39.0 123:487.0 124:76.0 125:294.0 126:191.0 127:456.0 128:263.0 129:304.0 130:82.0 131:2456.0 132:433.0 133:12641.0 134:1547.0 135:1441.0 136:68.0 137:131.0 138:116.0 139:600.0 140:589.0 141:1958.0 142:188.0 143:858.0 144:141.0 145:165.0 146:30.0 147:68394.0 148:11613.0 149:12191.0 150:1479.0 151:543.0 152:95.0 154:177.0 155:698.0 156:491.0 157:1087.0 158:217.0 159:340.0 160:96.0 161:209.0 163:232.0 164:59.0 166:51.0 168:110.0 169:1152.0 170:278.0 171:563.0 172:174.0 173:223.0 174:29.0 175:113.0 176:36.0 177:524.0 178:117.0 179:97.0 180:39.0 182:241.0 183:650.0 184:1346.0 185:635.0 186:162.0 187:140.0 188:22.0 189:104.0 190:60.0 191:337.0 192:70.0 193:152.0 195:168.0 196:85.0 197:103.0 198:55.0 199:337.0 200:173.0 201:311.0 202:135.0 203:90.0 204:99.0 205:87.0 206:80.0 207:390.0 208:123.0 210:36.0 211:12535.0 212:1859.0 213:1080.0 214:289.0 215:5405.0 216:954.0 217:445.0 218:50.0 220:30.0 221:762.0 222:212.0 223:32.0 224:36.0 226:40.0 227:34.0 228:645.0 229:16572.0 230:3226.0 231:1403.0 232:208.0 233:41.0 236:38.0 237:26.0 239:42.0 240:42.0 241:84.0 242:57.0 243:239.0 245:375.0 246:93.0 248:41.0 252:30.0 253:28.0 254:37.0 255:48.0 256:268.0 257:983.0 258:264.0 259:335.0 260:89.0 263:47.0 265:50.0 268:45.0 270:20.0 271:53.0 272:697.0 273:455.0 274:62.0 275:105.0 278:53.0 284:97.0 285:4739.0 286:1085.0 287:966.0 288:254.0 289:118.0 291:52.0 292:28.0 293:30.0 294:29.0 295:47.0 296:28.0 297:35.0 298:27.0 300:778.0 301:231.0 302:136.0 303:364.0 304:149.0 305:28.0 306:58.0 307:36.0 308:19.0 310:41.0 311:38.0 312:52.0 313:29.0 314:22.0 316:32.0 317:53.0 318:44.0 323:34.0 324:22.0 327:39.0 328:51.0 330:85.0 331:69.0 332:44.0 333:92.0 337:36.0 338:51.0 339:31.0 340:34.0 342:33.0 344:59.0 346:533.0 347:88.0 348:80.0 349:54.0 351:45.0 353:45.0 356:24.0 359:39.0 360:23.0 364:32.0 366:23.0 370:12.0 371:29.0 374:261.0 375:3283.0 376:1199.0 377:532.0 378:147.0 379:88.0 380:60.0 381:50.0 383:60.0 386:48.0 391:63.0 392:31.0 394:35.0 397:36.0 398:50.0 399:15.0 400:39.0 402:27.0 403:20.0 404:55.0 405:27.0 408:39.0 410:25.0 414:19.0 415:50.0 416:36.0 417:27.0 419:31.0 420:12.0 422:26.0 425:38.0 426:34.0 427:43.0 429:25.0 430:48.0 431:21.0 432:50.0 433:21.0 434:53.0 435:17.0 437:21.0 438:51.0 439:35.0 440:37.0 443:31.0 444:35.0 445:62.0 446:40.0 448:28.0 451:37.0 452:27.0 453:51.0 455:36.0 456:47.0 458:23.0 459:33.0 460:25.0 462:40.0 463:20.0 465:53.0 467:31.0 468:24.0 469:53.0 471:36.0 472:20.0 473:30.0 474:23.0 475:30.0 476:35.0 477:39.0 481:40.0 482:48.0 485:25.0 487:25.0 489:38.0 490:20.0 491:33.0 493:18.0 494:18.0 497:19.0 499:30.0 500:27.0 273 290_adenosine 290 918039 85:353.0 86:112.0 89:208.0 95:41.0 98:54.0 99:460.0 100:35.0 101:439.0 102:88.0 103:2553.0 104:236.0 105:110.0 109:159.0 111:217.0 113:236.0 115:473.0 116:284.0 117:469.0 119:106.0 120:28.0 126:71.0 129:719.0 130:43.0 131:300.0 132:124.0 133:869.0 134:103.0 135:182.0 136:60.0 137:23.0 138:121.0 139:38.0 142:46.0 143:329.0 144:32.0 145:58.0 147:1456.0 148:317.0 149:320.0 151:23.0 153:75.0 155:49.0 157:111.0 158:65.0 159:46.0 161:36.0 163:32.0 164:65.0 165:357.0 166:35.0 167:26.0 169:461.0 170:40.0 172:18.0 176:112.0 181:43.0 189:137.0 191:65.0 192:1613.0 193:207.0 204:44.0 206:352.0 207:149.0 208:920.0 209:168.0 210:27.0 217:1389.0 218:314.0 219:95.0 220:42.0 229:41.0 230:3166.0 231:750.0 232:335.0 236:3623.0 237:456.0 238:57.0 243:536.0 244:93.0 245:1467.0 246:353.0 247:72.0 248:32.0 258:110.0 259:221.0 260:57.0 264:155.0 265:52.0 278:42.0 279:85.0 280:312.0 281:57.0 293:25.0 294:12.0 296:16.0 306:174.0 320:51.0 321:27.0 322:106.0 324:30.0 334:84.0 346:24.0 348:71.0 229 291_arachidic acid 291 856421 85:167.0 89:444.0 90:10.0 92:58.0 93:400.0 94:80.0 95:656.0 98:494.0 99:384.0 100:46.0 102:86.0 105:51.0 107:116.0 110:60.0 111:101.0 113:12.0 115:21.0 116:933.0 117:16860.0 118:1459.0 119:650.0 120:71.0 125:117.0 128:67.0 129:7682.0 130:803.0 132:6486.0 133:1341.0 134:343.0 135:92.0 137:72.0 138:29.0 140:58.0 141:48.0 143:611.0 144:144.0 145:3932.0 146:417.0 157:65.0 159:172.0 160:80.0 161:46.0 164:44.0 168:34.0 171:218.0 172:32.0 174:54.0 185:81.0 199:101.0 201:667.0 202:5.0 208:42.0 213:60.0 217:11.0 225:24.0 227:130.0 229:24.0 243:65.0 246:23.0 262:12.0 269:7.0 272:45.0 278:21.0 280:15.0 285:59.0 297:34.0 312:18.0 317:15.0 325:29.0 326:62.0 336:17.0 341:67.0 369:769.0 370:279.0 371:22.0 156 294_alpha-ketoglutarate 294 507392 85:208.0 87:154.0 89:4657.0 90:84.0 91:201.0 94:49.0 98:155.0 99:133.0 101:112.0 102:113.0 103:234.0 110:90.0 112:1654.0 113:180.0 114:75.0 115:296.0 118:19.0 125:56.0 126:615.0 128:246.0 129:323.0 131:331.0 133:422.0 135:87.0 142:51.0 143:95.0 144:23.0 145:67.0 147:7768.0 148:1161.0 149:693.0 152:14.0 154:243.0 155:35.0 156:3139.0 157:398.0 158:205.0 159:36.0 160:14.0 161:16.0 163:100.0 170:1125.0 171:173.0 172:311.0 173:128.0 174:90.0 175:31.0 182:102.0 183:89.0 184:104.0 185:35.0 186:1020.0 187:139.0 190:35.0 198:3239.0 199:335.0 200:204.0 201:209.0 202:664.0 203:43.0 204:45.0 206:13.0 214:29.0 229:539.0 230:93.0 268:20.0 272:44.0 273:25.0 288:551.0 289:122.0 304:395.0 305:40.0 306:19.0 450:18.0 458:20.0 117 3_valine 3 313502 85:2124.0 86:7630.0 87:1944.0 88:1239.0 89:198.0 90:140.0 92:81.0 94:103.0 95:66.0 96:941.0 97:782.0 98:2720.0 99:1558.0 100:41058.0 101:6555.0 102:3952.0 103:6374.0 104:899.0 105:633.0 110:1390.0 111:263.0 112:2218.0 113:1055.0 114:6510.0 115:2943.0 116:1153.0 117:4102.0 118:1273.0 119:1387.0 120:34.0 121:95.0 122:89.0 123:66.0 124:112.0 125:82.0 126:230.0 128:5308.0 129:3668.0 130:4722.0 131:5210.0 132:8091.0 133:9781.0 134:1607.0 135:73.0 139:40.0 140:117.0 141:133.0 142:2087.0 143:1279.0 144:224917.0 145:29590.0 146:11099.0 147:45446.0 148:7550.0 149:4466.0 150:414.0 155:26.0 156:4524.0 157:783.0 158:944.0 159:1039.0 160:998.0 161:282.0 162:98.0 163:804.0 164:39.0 165:79.0 166:20.0 167:15.0 170:15.0 171:60.0 172:145.0 173:89.0 174:897.0 175:278.0 180:20.0 186:53.0 188:101.0 195:23.0 200:29.0 201:57.0 202:231.0 203:1515.0 204:150.0 205:131.0 212:25.0 214:41.0 215:32.0 216:75.0 218:30778.0 219:7053.0 220:2659.0 221:383.0 222:79.0 224:11.0 227:21.0 228:488.0 240:23.0 246:1200.0 247:282.0 248:110.0 260:54.0 261:24.0 270:21.0 273:18.0 274:30.0 289:16.0 299:18.0 306:21.0 318:28.0 347:15.0 354:36.0 359:23.0 360:23.0 363:25.0 364:19.0 366:27.0 368:18.0 375:23.0 385:25.0 390:17.0 391:26.0 403:18.0 408:28.0 424:15.0 448:14.0 454:21.0 459:17.0 474:16.0 482:20.0 486:21.0 496:31.0 104 30_glycerol 30 344466 85:1069.0 86:1979.0 87:2157.0 88:1086.0 89:5466.0 90:494.0 91:283.0 94:134.0 97:170.0 99:483.0 100:547.0 101:7688.0 102:1229.0 103:30772.0 104:2994.0 105:1697.0 106:143.0 108:135.0 109:140.0 111:130.0 112:89.0 113:993.0 114:232.0 115:2539.0 116:2329.0 117:35562.0 118:3659.0 119:3831.0 120:444.0 121:441.0 122:107.0 123:185.0 124:113.0 128:225.0 129:5116.0 130:612.0 131:6207.0 132:1094.0 133:25238.0 134:3729.0 135:2380.0 136:427.0 139:148.0 143:244.0 146:99.0 147:56187.0 148:9192.0 149:6633.0 150:722.0 152:125.0 153:108.0 154:82.0 155:38.0 157:61.0 159:389.0 161:182.0 162:155.0 163:742.0 164:142.0 167:218.0 169:149.0 170:124.0 172:83.0 173:244.0 174:3454.0 175:3869.0 176:705.0 177:2097.0 178:209.0 179:212.0 180:52.0 182:221.0 185:175.0 186:146.0 187:33.0 188:143.0 189:384.0 190:167.0 191:2078.0 192:449.0 196:57.0 198:79.0 199:86.0 200:53.0 203:1850.0 204:2494.0 205:18669.0 206:3433.0 207:1121.0 209:158.0 215:40.0 217:803.0 218:5122.0 219:1032.0 220:397.0 221:185.0 232:51.0 234:25.0 237:49.0 246:9.0 247:26.0 252:59.0 257:68.0 260:59.0 263:56.0 268:27.0 282:48.0 293:320.0 294:88.0 297:40.0 298:193.0 302:296.0 306:55.0 307:52.0 308:45.0 317:86.0 319:41.0 320:37.0 322:37.0 323:32.0 324:32.0 329:28.0 330:8.0 331:23.0 332:27.0 334:31.0 335:25.0 336:33.0 343:23.0 344:15.0 348:42.0 355:27.0 357:46.0 363:26.0 365:29.0 368:41.0 370:42.0 376:9.0 377:33.0 378:28.0 379:19.0 380:43.0 381:23.0 382:27.0 384:25.0 385:41.0 387:14.0 388:32.0 390:20.0 393:42.0 395:30.0 396:32.0 397:33.0 398:12.0 399:32.0 402:25.0 410:13.0 424:25.0 429:12.0 431:45.0 440:18.0 442:24.0 444:23.0 446:7.0 447:27.0 449:16.0 451:13.0 454:23.0 469:24.0 470:8.0 471:27.0 472:27.0 473:15.0 474:23.0 480:12.0 483:20.0 485:21.0 490:35.0 491:25.0 492:31.0 494:33.0 496:34.0 497:11.0 499:40.0 500:25.0 144 308_glucose-6-phosphate 308 818275 89:2051.0 90:203.0 91:178.0 94:11.0 95:62.0 98:94.0 99:125.0 100:221.0 101:1887.0 102:354.0 103:2375.0 104:220.0 105:395.0 107:50.0 109:82.0 111:94.0 112:58.0 113:214.0 115:231.0 116:632.0 117:455.0 119:268.0 121:26.0 122:30.0 125:55.0 128:126.0 129:3069.0 130:602.0 131:1273.0 132:58.0 133:2409.0 134:158.0 135:122.0 137:37.0 140:51.0 141:115.0 142:97.0 143:74.0 144:29.0 145:148.0 146:37.0 147:4873.0 148:464.0 149:599.0 151:95.0 153:23.0 157:1012.0 158:176.0 159:130.0 160:1147.0 161:363.0 162:72.0 163:117.0 169:136.0 170:48.0 173:13.0 177:79.0 182:11.0 183:103.0 185:59.0 186:54.0 188:66.0 189:160.0 191:384.0 192:46.0 193:105.0 194:53.0 195:138.0 197:10.0 201:29.0 203:38.0 204:359.0 205:33.0 206:54.0 207:360.0 211:970.0 212:178.0 213:65.0 217:979.0 218:154.0 219:118.0 225:301.0 226:58.0 227:126.0 229:132.0 230:110.0 231:15.0 235:44.0 240:19.0 243:85.0 246:34.0 247:340.0 253:43.0 254:35.0 255:22.0 257:12.0 268:42.0 269:80.0 270:62.0 271:12.0 275:14.0 277:13.0 283:111.0 284:40.0 285:101.0 286:52.0 289:28.0 291:46.0 292:16.0 298:100.0 299:2546.0 300:668.0 301:280.0 302:67.0 304:20.0 305:18.0 307:21.0 313:46.0 314:79.0 315:1212.0 316:256.0 317:94.0 318:35.0 328:44.0 330:11.0 331:35.0 336:19.0 340:18.0 341:103.0 343:35.0 354:13.0 356:12.0 357:807.0 358:199.0 359:128.0 364:12.0 372:15.0 373:38.0 374:41.0 375:9.0 386:143.0 387:2721.0 388:1051.0 389:536.0 390:109.0 391:63.0 392:30.0 403:19.0 431:13.0 434:12.0 461:16.0 470:30.0 471:77.0 472:58.0 473:66.0 474:37.0 475:16.0 483:14.0 174 3084_alpha-d-galactose 3084 649148 85:252.0 86:93.0 87:225.0 88:162.0 89:996.0 90:130.0 94:51.0 96:33.0 99:335.0 100:83.0 101:1523.0 102:307.0 103:3352.0 104:158.0 105:130.0 106:52.0 109:158.0 111:257.0 113:299.0 114:76.0 115:254.0 116:625.0 117:2860.0 118:180.0 119:468.0 126:33.0 127:169.0 129:3793.0 130:458.0 131:1482.0 132:279.0 133:3089.0 134:404.0 135:274.0 138:33.0 139:50.0 140:21.0 141:77.0 142:35.0 143:788.0 145:69.0 146:55.0 147:10989.0 148:1510.0 149:1160.0 150:27.0 153:79.0 154:28.0 155:178.0 157:526.0 158:77.0 159:141.0 161:108.0 163:164.0 169:412.0 170:87.0 171:94.0 173:67.0 175:150.0 177:191.0 181:34.0 183:58.0 185:59.0 188:24.0 189:1827.0 190:472.0 191:8555.0 192:1385.0 193:665.0 194:26.0 195:44.0 203:567.0 204:19782.0 205:3532.0 206:1417.0 207:304.0 208:95.0 215:67.0 217:3286.0 218:742.0 219:305.0 221:237.0 222:46.0 225:23.0 229:127.0 231:351.0 233:96.0 238:23.0 242:24.0 243:293.0 262:15.0 265:82.0 291:172.0 305:197.0 306:44.0 319:312.0 347:40.0 351:19.0 361:19.0 380:15.0 390:12.0 395:20.0 396:23.0 399:15.0 401:26.0 404:25.0 411:22.0 415:33.0 420:20.0 429:23.0 432:14.0 434:33.0 435:78.0 437:17.0 442:23.0 448:23.0 449:27.0 452:33.0 466:20.0 491:25.0 496:28.0 387 3084_alpha-galactose 3084 649148 85:252.0 86:93.0 87:225.0 88:162.0 89:996.0 90:130.0 94:51.0 96:33.0 99:335.0 100:83.0 101:1523.0 102:307.0 103:3352.0 104:158.0 105:130.0 106:52.0 109:158.0 111:257.0 113:299.0 114:76.0 115:254.0 116:625.0 117:2860.0 118:180.0 119:468.0 126:33.0 127:169.0 129:3793.0 130:458.0 131:1482.0 132:279.0 133:3089.0 134:404.0 135:274.0 138:33.0 139:50.0 140:21.0 141:77.0 142:35.0 143:788.0 145:69.0 146:55.0 147:10989.0 148:1510.0 149:1160.0 150:27.0 153:79.0 154:28.0 155:178.0 157:526.0 158:77.0 159:141.0 161:108.0 163:164.0 169:412.0 170:87.0 171:94.0 173:67.0 175:150.0 177:191.0 181:34.0 183:58.0 185:59.0 188:24.0 189:1827.0 190:472.0 191:8555.0 192:1385.0 193:665.0 194:26.0 195:44.0 203:567.0 204:19782.0 205:3532.0 206:1417.0 207:304.0 208:95.0 215:67.0 217:3286.0 218:742.0 219:305.0 221:237.0 222:46.0 225:23.0 229:127.0 231:351.0 233:96.0 238:23.0 242:24.0 243:293.0 262:15.0 265:82.0 291:172.0 305:197.0 306:44.0 319:312.0 347:40.0 351:19.0 361:19.0 380:15.0 390:12.0 395:20.0 396:23.0 399:15.0 401:26.0 404:25.0 411:22.0 415:33.0 420:20.0 429:23.0 432:14.0 434:33.0 435:78.0 437:17.0 442:23.0 448:23.0 449:27.0 452:33.0 466:20.0 491:25.0 496:28.0 204 31_creatinine 31 502599 85:370.0 88:85.0 89:36.0 93:61.0 98:181.0 99:1414.0 100:9158.0 101:1232.0 103:128.0 108:34.0 111:15.0 113:594.0 114:567.0 115:27718.0 116:1868.0 118:47.0 124:34.0 130:931.0 134:91.0 135:38.0 136:59.0 139:101.0 142:85.0 143:10910.0 144:1070.0 147:1641.0 155:268.0 158:453.0 159:92.0 160:80.0 161:20.0 162:30.0 165:17.0 167:15.0 169:18.0 170:66.0 171:2993.0 172:140.0 173:285.0 174:113.0 175:26.0 176:37.0 177:19.0 178:18.0 179:22.0 181:27.0 183:40.0 185:83.0 186:60.0 187:655.0 188:221.0 189:99.0 190:40.0 191:21.0 194:26.0 197:24.0 199:144.0 202:39.0 203:34.0 205:8.0 206:46.0 210:37.0 211:18.0 212:28.0 213:79.0 215:275.0 216:120.0 217:64.0 218:14.0 219:27.0 220:29.0 225:28.0 226:126.0 227:75.0 229:62.0 231:19.0 233:24.0 237:17.0 240:68.0 247:20.0 255:22.0 256:36.0 257:61.0 258:27.0 259:23.0 262:21.0 263:18.0 277:28.0 285:23.0 290:27.0 293:19.0 294:26.0 297:13.0 303:15.0 309:16.0 312:25.0 313:34.0 314:787.0 315:277.0 316:131.0 317:12.0 319:17.0 321:17.0 326:22.0 327:21.0 329:1086.0 331:136.0 335:20.0 341:24.0 345:30.0 347:25.0 348:15.0 349:24.0 350:29.0 353:14.0 357:22.0 368:22.0 373:28.0 375:18.0 378:22.0 392:21.0 394:13.0 401:11.0 403:27.0 405:25.0 431:14.0 455:21.0 461:17.0 470:23.0 475:26.0 476:26.0 478:23.0 479:28.0 484:27.0 487:17.0 490:31.0 496:20.0 497:24.0 204 3101_epsilon-caprolactam 3101 353069 85:3527.0 86:4140.0 87:584.0 88:310.0 89:178.0 90:77.0 92:69.0 93:133.0 94:788.0 95:1631.0 96:9852.0 97:922.0 98:563.0 99:1266.0 100:3522.0 101:560.0 102:1140.0 104:121.0 108:40.0 109:61.0 110:210.0 111:195.0 112:430.0 113:668.0 114:248.0 115:442.0 116:2077.0 117:158.0 118:177.0 119:56.0 121:27.0 124:57.0 125:76.0 126:242.0 127:629.0 128:1076.0 129:519.0 131:354.0 135:55.0 137:46.0 138:80.0 139:64.0 140:1277.0 141:387.0 142:1578.0 143:310.0 144:175.0 145:27.0 146:51.0 147:274.0 150:63.0 152:55.0 153:35.0 154:1078.0 155:363.0 156:2778.0 157:797.0 158:188.0 159:47.0 162:19.0 166:56.0 168:635.0 169:156.0 170:32327.0 171:4972.0 172:997.0 173:114.0 178:25.0 182:54.0 184:2499.0 185:3750.0 186:659.0 187:173.0 194:18.0 196:18.0 199:21.0 205:19.0 212:12.0 214:27.0 219:21.0 220:29.0 225:31.0 227:16.0 237:19.0 250:21.0 256:17.0 257:14.0 260:17.0 266:17.0 276:24.0 277:19.0 280:24.0 284:13.0 289:19.0 290:13.0 291:17.0 292:21.0 294:37.0 295:24.0 296:41.0 297:21.0 299:98.0 300:32.0 301:36.0 302:29.0 305:27.0 306:20.0 309:24.0 311:27.0 312:29.0 314:15.0 320:22.0 323:30.0 324:23.0 328:36.0 329:33.0 330:21.0 331:16.0 333:13.0 339:19.0 343:28.0 345:26.0 346:19.0 349:37.0 350:24.0 355:23.0 357:19.0 358:24.0 359:15.0 360:26.0 361:13.0 365:14.0 367:14.0 368:45.0 369:35.0 371:31.0 376:17.0 377:30.0 378:28.0 380:29.0 381:35.0 382:19.0 387:27.0 388:30.0 390:20.0 391:26.0 393:27.0 394:32.0 397:27.0 400:38.0 403:20.0 405:31.0 407:18.0 408:21.0 413:21.0 415:14.0 418:14.0 426:25.0 428:32.0 433:21.0 442:16.0 445:30.0 449:19.0 451:29.0 452:19.0 457:20.0 458:14.0 462:15.0 468:16.0 472:16.0 474:15.0 481:12.0 483:13.0 488:27.0 489:17.0 491:18.0 492:20.0 494:18.0 495:26.0 497:17.0 499:26.0 500:20.0 115 31242_inosine 5'-monophosphate 31242 1016811 87:68.0 89:59.0 91:75.0 95:92.0 96:48.0 98:85.0 99:128.0 100:42.0 101:160.0 105:72.0 106:69.0 108:39.0 109:62.0 110:57.0 111:37.0 113:198.0 115:118.0 116:126.0 117:138.0 121:72.0 122:58.0 123:62.0 125:63.0 127:100.0 129:478.0 130:162.0 133:331.0 135:74.0 138:59.0 139:70.0 140:139.0 141:61.0 143:101.0 147:894.0 148:205.0 149:147.0 151:79.0 153:75.0 158:33.0 166:56.0 167:38.0 168:26.0 169:2863.0 170:314.0 171:237.0 176:30.0 177:51.0 179:65.0 183:47.0 184:66.0 186:33.0 193:526.0 194:115.0 195:71.0 197:27.0 204:39.0 207:468.0 208:99.0 209:407.0 210:67.0 211:522.0 212:64.0 215:88.0 217:136.0 218:38.0 219:68.0 221:65.0 225:77.0 227:59.0 229:56.0 230:749.0 231:180.0 232:91.0 240:42.0 241:76.0 243:422.0 244:106.0 252:23.0 253:87.0 258:318.0 260:43.0 263:61.0 264:31.0 265:85.0 266:67.0 277:43.0 279:40.0 280:48.0 281:280.0 283:35.0 284:28.0 285:31.0 287:29.0 289:41.0 290:15.0 293:69.0 299:593.0 300:118.0 301:129.0 302:31.0 303:34.0 305:17.0 307:70.0 308:47.0 315:1289.0 316:358.0 317:185.0 318:22.0 320:40.0 321:42.0 323:63.0 328:78.0 329:47.0 331:26.0 332:24.0 333:35.0 335:48.0 336:16.0 338:45.0 340:54.0 341:40.0 342:69.0 343:36.0 344:29.0 345:13.0 356:71.0 357:48.0 362:45.0 369:35.0 370:53.0 371:45.0 375:33.0 377:23.0 378:55.0 384:44.0 386:17.0 390:47.0 396:35.0 399:38.0 400:29.0 412:60.0 414:19.0 419:42.0 429:50.0 431:16.0 435:14.0 444:38.0 449:21.0 480:27.0 481:31.0 493:26.0 495:42.0 299 31356_pantothenic acid 31356 690887 86:142.0 87:115.0 88:61.0 89:123.0 91:147.0 93:29.0 97:25.0 98:459.0 100:211.0 101:202.0 102:407.0 103:6738.0 104:460.0 105:272.0 106:32.0 114:19.0 115:305.0 116:236.0 117:4122.0 118:351.0 119:205.0 120:33.0 121:29.0 122:19.0 124:194.0 128:128.0 129:1113.0 130:360.0 131:394.0 132:39.0 133:428.0 134:46.0 135:88.0 143:489.0 144:621.0 145:402.0 146:236.0 147:1702.0 148:191.0 149:222.0 156:34.0 157:2310.0 158:402.0 159:1325.0 160:173.0 161:30.0 163:50.0 166:44.0 172:86.0 173:26.0 174:60.0 175:28.0 176:45.0 177:34.0 186:54.0 188:41.0 191:33.0 199:26.0 200:13.0 201:1874.0 202:238.0 203:97.0 204:90.0 205:22.0 218:71.0 219:16.0 228:17.0 229:12.0 232:16.0 234:28.0 240:25.0 242:28.0 243:21.0 244:19.0 246:111.0 247:769.0 248:132.0 249:47.0 250:13.0 252:12.0 255:18.0 256:24.0 259:30.0 261:170.0 262:68.0 263:34.0 269:17.0 270:14.0 274:16.0 288:25.0 291:1539.0 292:312.0 293:121.0 302:21.0 312:19.0 316:19.0 330:39.0 332:43.0 373:13.0 420:156.0 429:13.0 450:12.0 458:16.0 464:14.0 478:15.0 487:19.0 497:18.0 105 31379_palmitoleic acid 31379 704511 85:95.0 86:95.0 89:132.0 91:227.0 92:75.0 93:348.0 94:171.0 95:893.0 96:1339.0 97:784.0 98:663.0 99:107.0 101:129.0 103:146.0 105:89.0 107:131.0 109:362.0 110:406.0 111:217.0 112:50.0 115:92.0 116:450.0 117:7088.0 118:479.0 119:360.0 120:51.0 121:116.0 122:41.0 123:218.0 124:151.0 126:42.0 129:2986.0 130:332.0 131:398.0 132:473.0 133:198.0 134:90.0 137:123.0 138:51.0 143:53.0 145:807.0 146:119.0 151:91.0 152:234.0 153:42.0 155:232.0 159:175.0 165:16.0 167:23.0 169:76.0 171:146.0 172:24.0 173:67.0 183:20.0 185:327.0 186:47.0 187:38.0 192:99.0 193:64.0 194:185.0 195:34.0 198:40.0 199:246.0 205:104.0 208:49.0 209:16.0 213:59.0 215:45.0 219:42.0 220:24.0 224:13.0 227:23.0 235:22.0 236:137.0 237:23.0 242:21.0 244:26.0 245:20.0 248:13.0 253:15.0 256:21.0 258:20.0 261:16.0 263:22.0 268:34.0 269:19.0 270:13.0 274:22.0 283:25.0 299:15.0 308:36.0 311:264.0 312:88.0 327:11.0 328:19.0 342:20.0 345:29.0 346:15.0 347:13.0 371:17.0 372:25.0 375:15.0 379:17.0 396:13.0 416:15.0 420:19.0 424:13.0 426:13.0 428:23.0 488:15.0 489:16.0 494:23.0 499:15.0 291 31569_fucose 31569 584895 85:75.0 87:111.0 88:40.0 89:1323.0 90:89.0 91:104.0 99:12.0 100:605.0 101:338.0 102:122.0 103:1172.0 105:294.0 106:48.0 109:34.0 110:22.0 114:14.0 115:241.0 116:57.0 117:14287.0 118:1480.0 119:608.0 120:10.0 123:27.0 126:1.0 127:2.0 128:7.0 129:1134.0 130:379.0 131:959.0 132:109.0 133:835.0 134:163.0 140:8.0 142:6.0 143:263.0 144:33.0 145:34.0 147:1366.0 148:54.0 149:99.0 155:1.0 156:11.0 160:1365.0 161:752.0 162:98.0 163:115.0 164:16.0 165:25.0 168:16.0 171:26.0 172:55.0 173:2.0 177:36.0 181:12.0 183:4.0 189:219.0 190:56.0 191:170.0 192:11.0 196:1.0 197:10.0 200:6.0 201:78.0 202:19.0 203:117.0 204:234.0 205:99.0 206:7.0 211:9.0 212:1.0 214:35.0 216:2.0 218:13.0 219:413.0 220:125.0 222:36.0 229:2.0 230:3.0 231:114.0 232:44.0 233:283.0 234:71.0 235:85.0 236:11.0 255:4.0 259:3.0 261:20.0 262:5.0 263:1.0 272:4.0 273:1.0 277:633.0 278:142.0 279:53.0 283:38.0 286:3.0 287:2.0 288:5.0 291:42.0 292:1.0 293:21.0 294:3.0 297:3.0 298:15.0 299:10.0 321:181.0 322:74.0 324:16.0 331:4.0 332:11.0 335:1.0 339:7.0 343:6.0 347:6.0 353:4.0 356:7.0 357:2.0 358:3.0 360:15.0 361:10.0 365:18.0 368:25.0 375:1.0 377:1.0 378:21.0 381:13.0 395:4.0 397:18.0 403:13.0 405:4.0 415:2.0 416:5.0 419:25.0 421:5.0 425:8.0 431:10.0 435:16.0 437:16.0 440:7.0 443:2.0 444:10.0 451:4.0 455:2.0 457:1.0 458:1.0 459:10.0 461:4.0 462:37.0 463:17.0 466:5.0 469:12.0 471:13.0 472:18.0 480:15.0 485:11.0 486:6.0 490:2.0 495:7.0 497:16.0 500:2.0 246 31632_xylulose 31632 553450 85:1861.0 86:702.0 87:1148.0 88:324.0 89:10095.0 90:1041.0 91:452.0 94:60.0 95:96.0 96:155.0 97:114.0 98:195.0 99:528.0 100:1225.0 101:2618.0 102:774.0 103:9082.0 104:930.0 106:381.0 108:16.0 109:127.0 110:14.0 111:327.0 112:10.0 113:567.0 114:3170.0 115:1092.0 116:1102.0 117:15978.0 118:1867.0 119:1700.0 120:3.0 125:55.0 126:826.0 128:264.0 129:1798.0 130:91.0 131:1527.0 132:491.0 133:5046.0 134:701.0 135:702.0 136:6.0 138:23.0 139:35.0 140:117.0 141:192.0 142:1927.0 143:502.0 144:243.0 145:139.0 147:24713.0 148:5028.0 149:2526.0 150:315.0 151:220.0 152:65.0 153:26.0 154:550.0 155:126.0 156:229.0 157:190.0 158:134.0 159:489.0 163:1175.0 164:44.0 165:68.0 166:65.0 167:36.0 168:213.0 169:140.0 170:31.0 171:1546.0 172:1120.0 173:8785.0 174:1555.0 175:664.0 176:105.0 177:250.0 178:554.0 179:28.0 180:36.0 181:14.0 183:52.0 184:333.0 185:51.0 186:216.0 187:29.0 188:320.0 189:626.0 190:179.0 191:151.0 192:102.0 193:67.0 194:3.0 196:14.0 198:154.0 199:323.0 200:305.0 201:773.0 202:842.0 203:501.0 204:973.0 205:9917.0 206:2401.0 207:662.0 208:84.0 210:108.0 211:29.0 212:18.0 214:161.0 216:100.0 218:34.0 220:4.0 221:172.0 222:37.0 226:43.0 228:1.0 229:573.0 230:121.0 231:97.0 232:499.0 233:91.0 235:27.0 236:10.0 240:52.0 241:22.0 242:171.0 244:64.0 246:28.0 248:11.0 255:29.0 256:9.0 257:221.0 258:12.0 259:66.0 260:85.0 261:68.0 262:334.0 263:3974.0 264:1269.0 265:391.0 266:19.0 269:40.0 270:19.0 271:7.0 274:9.0 280:44.0 281:11.0 282:48.0 285:7.0 286:20.0 287:19.0 288:212.0 289:27.0 290:6.0 296:8.0 299:16.0 300:38.0 301:44.0 302:122.0 305:16.0 311:18.0 317:43.0 318:72.0 325:6.0 329:4.0 332:1.0 333:198.0 334:153.0 335:141.0 336:141.0 338:1.0 343:10.0 345:15.0 348:2.0 351:57.0 356:19.0 358:19.0 360:171.0 361:16.0 364:291.0 365:143.0 366:142.0 367:13.0 368:1.0 373:12.0 374:13.0 375:137.0 377:47.0 378:3.0 380:8.0 387:36.0 390:6.0 392:8.0 395:5.0 396:4.0 397:13.0 402:6.0 411:4.0 413:6.0 418:4.0 421:16.0 425:2.0 429:12.0 431:12.0 432:6.0 436:31.0 441:7.0 444:20.0 452:45.0 453:79.0 454:20.0 467:33.0 468:1.0 477:3.0 483:5.0 484:29.0 489:2.0 490:24.0 495:4.0 500:2.0 204 31632_xylulose NIST 31632 553450 85:1861.0 86:702.0 87:1148.0 88:324.0 89:10095.0 90:1041.0 91:452.0 94:60.0 95:96.0 96:155.0 97:114.0 98:195.0 99:528.0 100:1225.0 101:2618.0 102:774.0 103:9082.0 104:930.0 106:381.0 108:16.0 109:127.0 110:14.0 111:327.0 112:10.0 113:567.0 114:3170.0 115:1092.0 116:1102.0 117:15978.0 118:1867.0 119:1700.0 120:3.0 125:55.0 126:826.0 128:264.0 129:1798.0 130:91.0 131:1527.0 132:491.0 133:5046.0 134:701.0 135:702.0 136:6.0 138:23.0 139:35.0 140:117.0 141:192.0 142:1927.0 143:502.0 144:243.0 145:139.0 147:24713.0 148:5028.0 149:2526.0 150:315.0 151:220.0 152:65.0 153:26.0 154:550.0 155:126.0 156:229.0 157:190.0 158:134.0 159:489.0 163:1175.0 164:44.0 165:68.0 166:65.0 167:36.0 168:213.0 169:140.0 170:31.0 171:1546.0 172:1120.0 173:8785.0 174:1555.0 175:664.0 176:105.0 177:250.0 178:554.0 179:28.0 180:36.0 181:14.0 183:52.0 184:333.0 185:51.0 186:216.0 187:29.0 188:320.0 189:626.0 190:179.0 191:151.0 192:102.0 193:67.0 194:3.0 196:14.0 198:154.0 199:323.0 200:305.0 201:773.0 202:842.0 203:501.0 204:973.0 205:9917.0 206:2401.0 207:662.0 208:84.0 210:108.0 211:29.0 212:18.0 214:161.0 216:100.0 218:34.0 220:4.0 221:172.0 222:37.0 226:43.0 228:1.0 229:573.0 230:121.0 231:97.0 232:499.0 233:91.0 235:27.0 236:10.0 240:52.0 241:22.0 242:171.0 244:64.0 246:28.0 248:11.0 255:29.0 256:9.0 257:221.0 258:12.0 259:66.0 260:85.0 261:68.0 262:334.0 263:3974.0 264:1269.0 265:391.0 266:19.0 269:40.0 270:19.0 271:7.0 274:9.0 280:44.0 281:11.0 282:48.0 285:7.0 286:20.0 287:19.0 288:212.0 289:27.0 290:6.0 296:8.0 299:16.0 300:38.0 301:44.0 302:122.0 305:16.0 311:18.0 317:43.0 318:72.0 325:6.0 329:4.0 332:1.0 333:198.0 334:153.0 335:141.0 336:141.0 338:1.0 343:10.0 345:15.0 348:2.0 351:57.0 356:19.0 358:19.0 360:171.0 361:16.0 364:291.0 365:143.0 366:142.0 367:13.0 368:1.0 373:12.0 374:13.0 375:137.0 377:47.0 378:3.0 380:8.0 387:36.0 390:6.0 392:8.0 395:5.0 396:4.0 397:13.0 402:6.0 411:4.0 413:6.0 418:4.0 421:16.0 425:2.0 429:12.0 431:12.0 432:6.0 436:31.0 441:7.0 444:20.0 452:45.0 453:79.0 454:20.0 467:33.0 468:1.0 477:3.0 483:5.0 484:29.0 489:2.0 490:24.0 495:4.0 500:2.0 173 3167_glucose-1-phosphate 3167 594647 85:385.0 86:98.0 87:248.0 88:286.0 89:468.0 90:224.0 92:20.0 95:218.0 99:284.0 101:1180.0 103:1916.0 104:47.0 107:220.0 109:96.0 110:193.0 111:260.0 112:20.0 113:386.0 114:41.0 115:209.0 116:863.0 117:2309.0 118:189.0 119:243.0 125:12.0 126:151.0 128:127.0 129:1571.0 130:306.0 131:508.0 132:123.0 133:2331.0 134:352.0 135:130.0 136:1.0 139:40.0 140:858.0 141:105.0 142:138.0 143:915.0 144:125.0 145:156.0 147:8229.0 148:1243.0 149:964.0 150:76.0 151:107.0 153:55.0 155:220.0 156:22.0 157:187.0 159:40.0 160:8.0 161:143.0 163:152.0 169:760.0 170:84.0 171:30.0 177:78.0 182:7.0 183:39.0 184:231.0 185:109.0 186:40.0 189:73.0 191:1095.0 192:147.0 193:12.0 194:17.0 197:36.0 203:360.0 204:41.0 205:58.0 207:14.0 215:105.0 216:33.0 217:21439.0 218:4677.0 219:1754.0 220:265.0 221:48.0 222:7.0 223:8.0 227:47.0 229:79.0 230:32.0 231:105.0 232:1782.0 233:379.0 234:124.0 235:16.0 239:11.0 243:228.0 244:42.0 245:147.0 246:14.0 247:15.0 255:62.0 257:552.0 258:57.0 270:6.0 271:28.0 274:7.0 284:7.0 291:2.0 305:458.0 306:42.0 307:23.0 317:60.0 318:39.0 319:14.0 331:42.0 332:40.0 347:9.0 362:1.0 391:1.0 414:7.0 447:3.0 450:226.0 451:156.0 452:22.0 453:5.0 484:1.0 494:11.0 173 3168_dehydroascorbic acid 3168 644832 85:737.0 86:474.0 87:782.0 88:318.0 89:5926.0 90:368.0 91:415.0 92:19.0 94:45.0 95:533.0 96:11.0 97:203.0 98:184.0 99:1095.0 100:1735.0 101:2955.0 102:710.0 103:3063.0 104:544.0 105:810.0 106:23.0 109:201.0 110:154.0 111:267.0 112:222.0 113:1129.0 114:525.0 115:401.0 116:1516.0 117:5453.0 118:445.0 119:507.0 120:16.0 122:6.0 123:184.0 124:33.0 125:73.0 126:28.0 127:134.0 128:215.0 129:10574.0 130:2297.0 131:1855.0 132:449.0 133:2841.0 134:342.0 135:228.0 141:377.0 142:443.0 143:2021.0 144:455.0 145:499.0 146:476.0 147:10189.0 148:1833.0 149:1332.0 150:106.0 151:142.0 154:111.0 155:44.0 156:809.0 157:18697.0 158:2766.0 159:787.0 160:1444.0 161:210.0 163:658.0 164:111.0 166:32.0 168:145.0 170:143.0 171:105.0 172:893.0 173:21753.0 174:3081.0 175:910.0 176:921.0 177:222.0 182:96.0 183:118.0 184:182.0 185:23.0 186:67.0 187:92.0 188:344.0 189:818.0 190:214.0 191:75.0 192:1.0 198:71.0 199:95.0 200:202.0 201:222.0 202:66.0 203:155.0 204:406.0 205:1534.0 206:325.0 210:1.0 211:46.0 212:52.0 214:261.0 215:169.0 216:237.0 217:841.0 218:306.0 219:137.0 226:165.0 227:53.0 228:164.0 229:281.0 230:218.0 231:822.0 232:264.0 233:99.0 234:208.0 235:1.0 236:13.0 240:1.0 243:64.0 244:199.0 245:2184.0 246:1025.0 247:344.0 248:136.0 256:59.0 257:149.0 258:643.0 259:105.0 260:87.0 262:12.0 264:189.0 265:47.0 272:5.0 273:81.0 274:171.0 275:63.0 276:7.0 277:19.0 286:2.0 288:172.0 289:54.0 290:132.0 291:130.0 292:8.0 297:17.0 298:21.0 299:29.0 302:127.0 303:191.0 304:88.0 305:119.0 306:86.0 312:29.0 316:3135.0 317:665.0 318:407.0 319:957.0 320:254.0 321:130.0 322:29.0 325:24.0 330:42.0 332:91.0 333:44.0 335:10.0 338:65.0 345:32.0 346:63.0 347:45.0 362:62.0 363:10.0 364:7.0 366:21.0 371:10.0 376:8.0 378:33.0 383:11.0 392:19.0 399:26.0 403:12.0 406:64.0 407:19.0 408:16.0 419:4.0 423:32.0 427:11.0 430:4.0 432:19.0 433:3.0 446:8.0 460:3.0 461:14.0 466:29.0 475:1.0 486:7.0 489:33.0 497:2.0 217 3169_levoglucosan 3169 569637 85:775.0 87:165.0 88:163.0 89:177.0 90:42.0 91:21.0 92:2.0 95:13.0 97:132.0 98:53.0 99:731.0 100:180.0 101:2830.0 102:212.0 103:5456.0 104:270.0 105:366.0 109:317.0 111:424.0 112:33.0 113:818.0 114:131.0 115:724.0 116:1575.0 117:3643.0 118:337.0 119:568.0 120:38.0 125:69.0 126:44.0 127:263.0 129:5991.0 130:703.0 131:1830.0 132:221.0 133:3867.0 134:297.0 135:293.0 136:48.0 139:2.0 140:20.0 141:67.0 142:707.0 143:2053.0 144:218.0 145:219.0 147:6558.0 148:1314.0 149:885.0 150:45.0 151:30.0 152:134.0 153:72.0 155:1046.0 156:182.0 157:445.0 158:17.0 159:278.0 160:29.0 161:875.0 162:43.0 163:220.0 167:4.0 169:385.0 170:170.0 171:723.0 172:115.0 173:207.0 174:103.0 175:87.0 177:350.0 178:62.0 179:1.0 183:160.0 184:145.0 185:57.0 187:32.0 189:3977.0 190:805.0 191:2782.0 192:423.0 193:60.0 197:9.0 199:273.0 200:41.0 201:12.0 203:130.0 204:14366.0 205:2838.0 206:1173.0 215:94.0 216:36.0 217:10683.0 218:2168.0 219:865.0 220:238.0 229:39.0 230:12.0 231:181.0 232:38.0 233:36.0 242:41.0 243:548.0 244:83.0 245:150.0 246:42.0 260:134.0 261:58.0 262:3.0 273:79.0 317:106.0 318:9.0 332:69.0 333:1176.0 334:345.0 335:138.0 173 31889_phenol 31889 218927 91:2045.0 92:161.0 93:334.0 94:209.0 95:2491.0 96:415.0 97:231.0 105:135.0 106:56.0 110:100.0 111:75.0 112:21.0 120:80.0 121:643.0 122:37.0 123:637.0 124:89.0 125:41.0 131:307.0 132:52.0 134:140.0 135:1287.0 136:193.0 137:125.0 145:37.0 149:73.0 150:28.0 151:15374.0 152:2150.0 153:646.0 154:68.0 166:3125.0 167:465.0 168:102.0 170:10.0 174:109.0 189:40.0 246:20.0 287:37.0 300:22.0 317:16.0 324:18.0 341:9.0 421:39.0 424:20.0 427:19.0 448:25.0 461:37.0 473:18.0 477:29.0 478:16.0 492:15.0 204 3191_glucoheptulose 3191 828606 85:139.0 86:13.0 89:1593.0 91:2.0 94:55.0 97:1692.0 98:126.0 99:121.0 100:313.0 101:365.0 103:5867.0 104:480.0 105:349.0 109:19.0 111:2.0 114:1800.0 115:154.0 116:242.0 117:2040.0 118:246.0 119:195.0 120:35.0 122:30.0 128:61.0 129:1591.0 130:174.0 131:183.0 133:1318.0 134:156.0 136:15.0 141:68.0 142:187.0 143:391.0 144:75.0 147:6372.0 148:889.0 149:623.0 152:13.0 154:11.0 156:61.0 157:517.0 158:120.0 159:80.0 160:16.0 161:17.0 163:75.0 166:11.0 169:863.0 170:230.0 171:10.0 172:231.0 173:198.0 174:66.0 175:186.0 186:71.0 188:38.0 189:583.0 190:298.0 191:4525.0 192:817.0 193:211.0 194:84.0 197:9.0 199:35.0 201:59.0 202:94.0 203:12.0 204:1202.0 205:1868.0 206:369.0 207:148.0 208:106.0 215:23.0 216:58.0 217:3888.0 218:737.0 219:334.0 220:35.0 221:126.0 222:53.0 229:82.0 230:72.0 231:77.0 232:16.0 233:24.0 235:9.0 242:6.0 243:62.0 244:59.0 245:20.0 246:18.0 252:6.0 256:23.0 257:1.0 258:10.0 259:1012.0 260:248.0 261:92.0 262:751.0 263:194.0 264:56.0 265:16.0 271:37.0 277:109.0 278:72.0 289:10.0 290:4.0 291:127.0 292:41.0 295:4.0 296:3.0 304:26.0 305:411.0 306:181.0 307:687.0 308:170.0 309:57.0 310:27.0 312:20.0 316:3.0 317:9.0 318:28.0 319:546.0 320:142.0 321:85.0 324:1.0 330:6.0 331:1076.0 332:428.0 333:238.0 334:39.0 335:11.0 341:16.0 346:6.0 349:8.0 362:2.0 372:1.0 374:16.0 376:99.0 377:26.0 380:2.0 382:15.0 383:1.0 386:13.0 393:4.0 399:1.0 401:15.0 411:4.0 415:15.0 420:5.0 421:302.0 422:115.0 423:49.0 424:9.0 427:6.0 432:14.0 437:8.0 438:10.0 445:1.0 447:15.0 466:9.0 473:34.0 484:1.0 500:2.0 151 3192_phytol 3192 761712 85:289.0 86:126.0 88:244.0 89:421.0 93:8.0 95:309.0 96:270.0 97:141.0 98:162.0 99:186.0 100:115.0 101:841.0 102:38.0 103:473.0 105:22.0 107:75.0 109:125.0 111:146.0 112:77.0 113:127.0 115:76.0 116:79.0 117:326.0 118:190.0 121:37.0 122:27.0 123:538.0 124:112.0 126:124.0 129:259.0 130:97.0 131:412.0 132:89.0 133:199.0 134:256.0 139:46.0 141:49.0 143:5116.0 144:663.0 145:148.0 147:569.0 149:92.0 155:28.0 156:41.0 157:50.0 172:75.0 178:55.0 179:66.0 184:72.0 185:31.0 186:35.0 189:70.0 190:189.0 191:32.0 195:37.0 196:50.0 199:77.0 203:32.0 205:162.0 207:36.0 211:107.0 215:25.0 217:14.0 219:40.0 224:28.0 225:54.0 240:30.0 243:6.0 251:4.0 253:35.0 257:27.0 285:16.0 286:22.0 289:1.0 293:4.0 297:21.0 299:50.0 302:31.0 303:1.0 305:30.0 307:39.0 314:15.0 315:52.0 341:32.0 344:1.0 349:16.0 354:1.0 356:18.0 357:76.0 360:4.0 373:4.0 374:14.0 383:6.0 386:29.0 405:2.0 408:14.0 410:8.0 422:2.0 427:9.0 430:18.0 458:12.0 464:43.0 467:17.0 469:25.0 472:4.0 493:9.0 500:1.0 217 32000_3-hydroxy-3-methylglutaric acid 32000 521554 85:626.0 88:16.0 99:275.0 100:730.0 101:73.0 102:61.0 103:177.0 105:4.0 109:1920.0 110:105.0 111:74.0 112:83.0 113:58.0 114:82.0 115:2396.0 116:497.0 117:648.0 119:126.0 122:1.0 128:36.0 129:150.0 131:335.0 133:955.0 134:20.0 135:5.0 140:38.0 141:84.0 142:47.0 144:16.0 147:3623.0 148:545.0 149:525.0 150:59.0 151:23.0 157:174.0 159:95.0 163:168.0 164:7.0 170:7.0 171:247.0 172:45.0 183:513.0 184:30.0 188:42.0 189:270.0 190:5.0 191:84.0 198:37.0 199:1241.0 200:148.0 201:103.0 203:410.0 204:193.0 205:99.0 215:59.0 216:5.0 217:15.0 224:8.0 226:10.0 229:24.0 231:992.0 232:174.0 233:35.0 241:16.0 244:29.0 246:14.0 247:1252.0 248:237.0 249:61.0 257:5.0 273:715.0 274:125.0 275:59.0 292:6.0 307:46.0 329:74.0 330:39.0 344:1.0 363:250.0 364:109.0 399:2.0 467:1.0 130 3212_ethanolamine 3212 344719 85:264.0 86:22410.0 87:2464.0 88:1167.0 89:864.0 90:146.0 91:145.0 92:17.0 93:231.0 95:19.0 98:171.0 99:314.0 100:23665.0 101:2784.0 102:1878.0 103:1289.0 104:174.0 105:611.0 107:614.0 108:113.0 110:216.0 111:30.0 112:10.0 113:773.0 114:2996.0 115:1679.0 116:1285.0 117:1574.0 118:333.0 119:1092.0 120:245.0 121:402.0 122:18.0 123:33.0 124:42.0 128:44.0 129:170.0 130:2698.0 131:3342.0 132:927.0 133:8712.0 134:1031.0 135:1490.0 136:212.0 137:520.0 139:68.0 142:63.0 143:25.0 144:719.0 145:46.0 146:391.0 147:13692.0 148:2351.0 149:825.0 150:32.0 151:383.0 152:10.0 153:55.0 159:25.0 160:116.0 161:45.0 162:42.0 163:5.0 165:167.0 166:112.0 167:183.0 172:1023.0 173:230.0 174:51790.0 175:9135.0 176:4211.0 177:576.0 178:96.0 179:234.0 180:2.0 181:415.0 182:28.0 183:27.0 184:47.0 187:62.0 188:760.0 189:413.0 190:45.0 191:553.0 192:109.0 193:818.0 194:130.0 195:134.0 197:31.0 200:27.0 204:147.0 207:641.0 208:87.0 209:69.0 210:81.0 211:1018.0 212:156.0 213:89.0 224:32.0 225:399.0 226:4.0 227:113.0 228:56.0 237:6.0 241:8.0 246:1.0 253:12.0 257:76.0 258:6.0 262:777.0 263:267.0 264:70.0 265:10.0 266:7.0 269:12.0 274:12.0 283:450.0 284:35.0 285:47.0 286:231.0 287:26.0 295:35.0 297:21.0 298:57.0 299:6468.0 300:1712.0 301:927.0 302:41.0 303:23.0 313:10.0 314:904.0 315:237.0 316:95.0 317:2.0 319:15.0 328:14.0 358:21.0 408:4.0 424:5.0 430:6.0 439:11.0 447:18.0 450:45.0 453:16.0 495:1.0 498:5.0 129 3244_N-acetylmannosamine 3244 735323 85:1141.0 86:451.0 87:885.0 88:794.0 89:7966.0 90:778.0 91:624.0 93:87.0 94:49.0 95:261.0 96:255.0 97:763.0 98:285.0 99:645.0 100:1414.0 101:2282.0 102:588.0 103:22851.0 104:2059.0 105:1722.0 106:141.0 108:12.0 109:340.0 110:235.0 111:311.0 113:842.0 114:5548.0 115:953.0 116:1164.0 117:12085.0 118:1540.0 119:1530.0 120:118.0 123:92.0 125:29.0 126:101.0 127:736.0 128:479.0 129:16363.0 130:2769.0 131:3417.0 132:431.0 133:8669.0 134:1093.0 135:600.0 136:274.0 137:5.0 139:62.0 140:139.0 141:130.0 142:782.0 143:1998.0 144:409.0 145:352.0 147:34899.0 148:5155.0 149:3377.0 150:418.0 151:193.0 152:89.0 153:168.0 154:195.0 155:622.0 156:297.0 157:11501.0 158:1661.0 159:724.0 160:38.0 161:175.0 162:49.0 163:784.0 164:135.0 165:26.0 166:128.0 168:56.0 169:2443.0 170:701.0 171:279.0 172:1561.0 173:1892.0 174:529.0 175:589.0 176:16.0 177:281.0 178:121.0 183:206.0 185:187.0 186:211.0 187:130.0 188:158.0 189:2914.0 190:964.0 191:2818.0 192:435.0 193:117.0 198:101.0 199:157.0 201:952.0 202:442.0 203:577.0 204:3303.0 205:19104.0 206:3604.0 207:1792.0 208:237.0 213:83.0 214:273.0 215:234.0 216:677.0 217:12330.0 218:2551.0 219:1112.0 220:118.0 221:479.0 222:97.0 223:134.0 227:59.0 228:85.0 229:3168.0 230:1099.0 231:800.0 232:210.0 233:179.0 234:98.0 235:30.0 236:1.0 237:32.0 240:19.0 241:107.0 242:102.0 243:881.0 244:413.0 245:282.0 246:65.0 247:249.0 248:26.0 250:16.0 256:197.0 257:61.0 258:30.0 259:204.0 260:98.0 261:1.0 262:2213.0 263:821.0 264:233.0 265:114.0 266:28.0 268:43.0 269:62.0 271:483.0 272:140.0 273:27.0 274:28.0 275:34.0 277:510.0 278:100.0 279:35.0 286:16.0 288:110.0 289:79.0 291:733.0 292:149.0 293:92.0 299:4.0 300:14.0 302:81.0 304:20.0 305:851.0 306:228.0 307:374.0 308:114.0 310:21.0 311:97.0 312:28.0 313:22.0 316:54.0 317:102.0 318:260.0 319:15684.0 320:4677.0 321:2091.0 322:400.0 323:73.0 324:10.0 328:54.0 330:6.0 331:169.0 332:167.0 333:211.0 334:32.0 335:98.0 336:167.0 337:60.0 338:23.0 345:14.0 346:37.0 348:1.0 356:16.0 357:9.0 361:1273.0 362:393.0 363:171.0 364:33.0 365:39.0 372:15.0 374:45.0 376:258.0 377:65.0 402:57.0 448:33.0 461:20.0 466:12.0 478:24.0 483:13.0 217 3256_urea 3256 326574 85:859.0 86:1343.0 87:2349.0 88:432.0 90:43.0 91:99.0 92:36.0 98:133.0 99:5452.0 100:6216.0 101:1289.0 102:803.0 103:149.0 107:195.0 110:309.0 111:554.0 113:326.0 114:765.0 115:629.0 116:182.0 117:375.0 118:388.0 126:44.0 127:542.0 129:155.0 130:2178.0 131:1631.0 132:1249.0 133:328.0 134:319.0 136:55.0 137:40.0 138:7.0 139:106.0 140:86.0 141:220.0 143:208.0 144:172.0 146:1945.0 147:24448.0 148:4280.0 149:1831.0 151:119.0 155:378.0 157:483.0 160:72.0 166:59.0 169:38.0 171:16373.0 172:2633.0 173:2446.0 181:85.0 183:84.0 184:456.0 185:58.0 186:860.0 187:128.0 188:248.0 189:9229.0 190:1672.0 191:671.0 196:25.0 204:236.0 207:6.0 229:8.0 231:42.0 247:14.0 271:11.0 277:9.0 278:14.0 309:1.0 316:22.0 322:5.0 327:11.0 331:1.0 333:36.0 339:21.0 344:7.0 385:9.0 403:16.0 404:11.0 432:51.0 434:14.0 460:6.0 462:3.0 471:9.0 481:1.0 498:11.0 500:4.0 204 33_phenylalanine 33 537804 85:116.0 86:960.0 87:386.0 88:130.0 89:524.0 90:333.0 91:7394.0 92:957.0 93:245.0 95:80.0 97:48.0 98:130.0 99:52.0 100:9746.0 101:1177.0 102:805.0 103:1034.0 104:243.0 105:388.0 107:71.0 113:39.0 114:39.0 115:219.0 116:165.0 117:780.0 118:464.0 119:424.0 120:416.0 121:430.0 122:59.0 123:39.0 129:97.0 130:1679.0 131:1133.0 132:1341.0 133:1146.0 134:336.0 135:293.0 136:49.0 138:34.0 139:49.0 140:25.0 141:29.0 142:42.0 144:83.0 145:192.0 146:426.0 147:6295.0 148:898.0 149:575.0 150:95.0 151:46.0 152:15.0 153:27.0 154:22.0 156:27.0 158:130.0 159:184.0 160:581.0 161:110.0 162:249.0 163:322.0 164:97.0 165:70.0 166:20.0 170:26.0 172:26.0 173:36.0 174:206.0 175:105.0 176:336.0 177:374.0 178:83.0 179:42.0 180:31.0 182:17.0 183:47.0 185:37.0 187:18.0 188:20.0 189:27.0 190:164.0 191:107.0 192:10455.0 193:1749.0 194:397.0 195:62.0 196:35.0 198:13.0 202:81.0 203:240.0 204:317.0 205:90.0 206:61.0 210:28.0 211:37.0 215:22.0 216:32.0 218:13238.0 219:2354.0 220:1006.0 221:86.0 235:21.0 239:14.0 266:599.0 267:219.0 268:127.0 270:27.0 277:22.0 278:36.0 279:36.0 282:33.0 284:20.0 286:21.0 294:142.0 295:52.0 297:44.0 299:31.0 300:16.0 301:35.0 308:20.0 310:28.0 311:13.0 313:29.0 314:18.0 315:27.0 317:24.0 320:28.0 324:23.0 326:26.0 329:14.0 331:30.0 334:43.0 336:14.0 337:20.0 339:24.0 341:15.0 343:21.0 346:21.0 351:14.0 352:22.0 362:20.0 363:27.0 364:29.0 366:13.0 367:28.0 369:16.0 374:14.0 375:32.0 378:28.0 380:21.0 382:28.0 385:20.0 386:35.0 389:14.0 390:25.0 392:18.0 393:22.0 394:14.0 402:32.0 403:23.0 404:21.0 406:22.0 407:27.0 411:38.0 413:23.0 414:18.0 416:15.0 418:23.0 419:43.0 420:23.0 421:23.0 422:19.0 423:21.0 424:35.0 425:43.0 426:20.0 427:43.0 429:31.0 434:15.0 436:37.0 437:24.0 438:20.0 440:36.0 443:18.0 447:36.0 450:19.0 451:21.0 452:13.0 469:19.0 479:21.0 481:25.0 499:12.0 85 33981_tagatose 33981 631835 85:79.0 86:3623.0 87:140.0 88:1083.0 89:19467.0 90:3116.0 92:207.0 94:181.0 95:260.0 96:1171.0 101:4728.0 102:155.0 103:277573.0 104:24119.0 105:14099.0 106:2858.0 111:569.0 112:433.0 114:3213.0 115:2819.0 117:15123.0 118:3495.0 119:2158.0 120:1178.0 125:544.0 126:709.0 127:8754.0 128:865.0 129:17063.0 130:3195.0 131:12310.0 132:1286.0 133:28749.0 137:1064.0 138:62.0 140:835.0 141:691.0 142:5686.0 143:3736.0 145:1483.0 146:1289.0 147:52979.0 148:17727.0 149:4090.0 150:1459.0 151:2432.0 153:511.0 154:492.0 155:427.0 156:386.0 157:8012.0 158:246.0 161:2318.0 162:150.0 163:4442.0 164:152.0 165:354.0 166:481.0 171:4944.0 172:7279.0 173:6584.0 174:446.0 175:2462.0 177:1527.0 178:70.0 179:651.0 180:880.0 181:1176.0 184:1744.0 186:1529.0 187:1198.0 188:2800.0 189:16950.0 190:3163.0 191:3765.0 192:408.0 193:3520.0 195:550.0 196:515.0 198:616.0 200:1496.0 201:6619.0 202:5957.0 204:5521.0 205:13615.0 206:1258.0 207:1744.0 209:804.0 210:1198.0 214:723.0 215:150.0 216:1462.0 217:88135.0 218:20206.0 219:10901.0 221:5037.0 222:1361.0 224:1105.0 225:495.0 227:1264.0 229:943.0 230:1879.0 231:2425.0 232:1805.0 233:1003.0 234:331.0 235:485.0 237:2601.0 238:76.0 239:1135.0 240:23.0 242:568.0 244:349.0 246:511.0 247:2925.0 248:1444.0 249:260.0 250:366.0 251:663.0 253:679.0 254:1385.0 256:341.0 257:2347.0 259:144.0 260:651.0 261:518.0 262:1430.0 263:1039.0 264:675.0 265:663.0 267:6398.0 269:1026.0 270:137.0 271:2022.0 272:843.0 276:1305.0 277:8920.0 278:869.0 279:147.0 280:1203.0 282:746.0 285:82.0 286:292.0 287:328.0 289:255.0 290:728.0 291:1989.0 293:923.0 295:197.0 296:413.0 298:140.0 299:1.0 301:554.0 303:1781.0 304:1047.0 305:1160.0 306:791.0 307:25532.0 308:12516.0 309:6997.0 310:474.0 316:27.0 320:585.0 321:1499.0 322:353.0 324:388.0 325:215.0 326:813.0 328:327.0 329:680.0 330:971.0 331:719.0 334:1375.0 335:3009.0 336:1115.0 337:1098.0 338:131.0 340:245.0 342:588.0 343:17.0 344:365.0 345:307.0 347:726.0 350:91.0 355:382.0 358:1012.0 360:341.0 363:150.0 364:4439.0 365:527.0 366:885.0 371:40.0 372:28.0 374:86.0 376:340.0 378:207.0 381:269.0 383:34.0 388:130.0 390:5.0 392:8.0 393:1047.0 395:81.0 397:46.0 401:168.0 404:9.0 406:168.0 407:123.0 409:89.0 418:225.0 421:156.0 423:270.0 433:68.0 437:24.0 438:32.0 441:155.0 444:207.0 446:16.0 449:52.0 451:37.0 453:18.0 455:71.0 459:29.0 463:125.0 465:65.0 467:53.0 469:162.0 471:89.0 472:197.0 474:65.0 475:11.0 479:237.0 480:28.0 486:145.0 490:105.0 491:63.0 493:342.0 495:4.0 497:29.0 498:72.0 500:65.0 156 34004_sulfuric acid 34004 285430 85:113.0 86:108.0 87:538.0 88:428.0 89:662.0 90:262.0 91:229.0 93:667.0 94:9.0 95:255.0 98:3.0 100:287.0 101:197.0 102:367.0 103:2198.0 104:347.0 105:612.0 106:734.0 107:554.0 108:204.0 110:148.0 112:2.0 113:165.0 114:3.0 115:2294.0 116:255.0 117:2.0 118:319.0 119:287.0 120:103.0 121:115.0 122:65.0 123:159.0 128:142.0 129:20.0 131:4741.0 132:195.0 133:2156.0 134:448.0 135:543.0 136:136.0 139:1124.0 140:57.0 143:34.0 146:121.0 147:122505.0 148:16550.0 149:8103.0 150:836.0 151:343.0 152:68.0 153:84.0 154:99.0 155:29.0 156:45.0 157:22.0 158:55.0 159:70.0 160:213.0 161:76.0 162:65.0 167:6.0 170:11.0 172:60.0 176:3.0 185:352.0 186:39.0 188:59.0 195:46.0 199:340.0 200:29.0 206:3.0 207:2.0 209:1.0 211:104.0 221:3.0 225:3.0 227:19919.0 228:3386.0 229:2461.0 230:313.0 231:26.0 232:28.0 233:50.0 234:1.0 242:19.0 246:9.0 247:1.0 248:1.0 249:36.0 250:19.0 251:31.0 253:61.0 260:21.0 264:16.0 265:54.0 266:16.0 267:51.0 269:32.0 271:5.0 272:1.0 273:2.0 275:14.0 279:2.0 281:1463.0 282:460.0 283:129.0 284:2.0 285:427.0 286:134.0 287:85.0 290:23.0 294:18.0 296:15.0 298:6.0 309:32.0 315:1.0 325:18.0 328:6.0 343:8.0 349:7.0 352:5.0 361:1.0 363:27.0 365:8.0 369:5.0 370:1.0 373:82.0 376:3.0 379:9.0 381:10.0 389:5.0 402:20.0 407:18.0 435:20.0 440:14.0 442:14.0 447:13.0 453:12.0 459:16.0 460:15.0 471:2.0 477:12.0 487:33.0 491:14.0 494:20.0 497:1.0 103 34042_creatinine 34042 507768 85:784.0 86:1163.0 87:1056.0 88:217.0 89:288.0 90:76.0 95:110.0 97:903.0 98:482.0 99:2817.0 100:21553.0 101:2921.0 102:2795.0 103:1046.0 104:172.0 105:154.0 107:29.0 108:46.0 109:57.0 110:178.0 111:381.0 112:228.0 113:1428.0 114:5037.0 115:60467.0 116:7675.0 117:10899.0 118:1235.0 119:901.0 121:5.0 122:42.0 124:105.0 125:213.0 126:532.0 127:345.0 128:1487.0 129:4675.0 130:3663.0 131:5191.0 132:1181.0 133:2523.0 134:395.0 135:271.0 136:59.0 137:52.0 138:72.0 139:188.0 140:204.0 141:679.0 142:1319.0 143:28892.0 144:3864.0 145:1634.0 146:197.0 147:10054.0 148:1324.0 149:973.0 150:144.0 151:33.0 152:22.0 153:100.0 154:70.0 155:567.0 156:319.0 157:885.0 158:1076.0 159:292.0 160:195.0 161:84.0 163:180.0 164:23.0 165:10.0 166:13.0 167:4.0 168:119.0 169:55.0 170:292.0 171:8761.0 172:2228.0 173:1024.0 174:153.0 175:141.0 177:13.0 178:31.0 179:40.0 182:9.0 183:179.0 184:215.0 185:221.0 186:224.0 187:1796.0 188:778.0 189:920.0 190:202.0 191:670.0 192:111.0 193:100.0 196:19.0 198:1.0 199:424.0 200:303.0 201:535.0 202:78.0 203:96.0 204:470.0 205:166.0 207:113.0 212:118.0 213:131.0 214:123.0 215:853.0 216:353.0 217:649.0 218:254.0 219:2599.0 220:845.0 221:598.0 222:86.0 224:5.0 225:67.0 226:519.0 227:111.0 228:28.0 229:54.0 231:417.0 232:149.0 233:48.0 234:13.0 236:9.0 238:46.0 240:210.0 241:923.0 242:384.0 243:269.0 244:67.0 245:273.0 246:114.0 247:56.0 248:1.0 254:88.0 256:277.0 257:85.0 258:12.0 259:56.0 260:55.0 261:18.0 263:7.0 270:14.0 271:23.0 277:44.0 286:41.0 287:59.0 291:9.0 292:3251.0 293:788.0 294:587.0 295:92.0 296:42.0 298:18.0 299:118.0 300:88.0 302:64.0 305:1241.0 306:348.0 307:260.0 308:2.0 311:42.0 312:11.0 313:78.0 314:3319.0 315:1075.0 316:486.0 317:75.0 318:15.0 321:4.0 328:132.0 329:5540.0 330:1627.0 331:796.0 332:173.0 333:429.0 334:11.0 335:85.0 337:27.0 340:11.0 341:13.0 351:22.0 368:9.0 379:26.0 394:14.0 396:19.0 419:27.0 423:62.0 437:5.0 445:1.0 473:5.0 481:2.0 488:3.0 491:19.0 217 34065_conduritol-beta-expoxide 34065 701723 85:102.0 86:7.0 88:11.0 93:17.0 95:84.0 99:141.0 100:46.0 101:367.0 102:34.0 103:1909.0 104:100.0 105:120.0 108:7.0 109:85.0 111:59.0 113:534.0 114:36.0 115:64.0 116:86.0 124:61.0 125:26.0 128:2.0 129:2049.0 130:323.0 131:745.0 132:109.0 133:2107.0 134:288.0 135:95.0 137:15.0 139:24.0 140:14.0 141:27.0 142:65.0 143:754.0 144:15.0 145:6.0 147:8476.0 148:1285.0 149:919.0 150:18.0 156:38.0 157:286.0 158:46.0 159:1.0 161:62.0 163:64.0 166:74.0 167:60.0 168:5.0 169:26.0 171:62.0 173:54.0 174:35.0 175:6.0 177:19.0 181:1.0 185:20.0 187:30.0 189:336.0 190:324.0 191:4137.0 192:632.0 193:377.0 194:45.0 201:4.0 203:121.0 204:2911.0 205:717.0 206:258.0 207:79.0 209:11.0 213:33.0 215:85.0 217:6134.0 218:1174.0 219:539.0 220:36.0 221:442.0 222:108.0 223:116.0 225:66.0 227:6.0 229:49.0 230:138.0 231:88.0 233:5.0 239:68.0 241:17.0 242:7.0 243:84.0 245:42.0 255:69.0 256:41.0 257:66.0 258:1.0 259:3.0 265:360.0 266:56.0 267:19.0 268:16.0 271:8.0 278:2.0 279:2.0 280:6.0 281:4.0 283:2.0 289:23.0 290:26.0 291:287.0 292:98.0 293:154.0 294:35.0 295:4.0 296:2.0 299:32.0 300:7.0 304:38.0 305:3747.0 306:1103.0 307:550.0 308:78.0 310:1.0 314:16.0 315:7.0 317:69.0 318:4932.0 319:1571.0 320:704.0 321:154.0 322:29.0 323:21.0 326:35.0 328:22.0 331:8.0 339:6.0 340:21.0 341:33.0 343:92.0 346:15.0 353:8.0 367:52.0 368:25.0 369:260.0 370:17.0 380:12.0 383:9.0 390:2.0 392:7.0 393:218.0 394:68.0 395:11.0 407:16.0 410:7.0 419:35.0 423:10.0 425:13.0 430:15.0 432:24.0 433:78.0 434:19.0 435:4.0 448:9.0 461:11.0 467:4.0 483:6.0 488:8.0 493:2.0 497:2.0 115 34135_3-hydroxybutanoic acid 34135 278969 85:648.0 86:105.0 87:468.0 88:338.0 89:66.0 90:92.0 94:682.0 95:99.0 97:15.0 98:92.0 99:676.0 101:623.0 102:1093.0 103:4384.0 104:568.0 105:561.0 106:90.0 107:114.0 108:156.0 109:280.0 110:55.0 113:128.0 115:1827.0 116:348.0 117:1101.0 118:48.0 119:342.0 120:71.0 121:24.0 122:34.0 125:1.0 127:111.0 129:305.0 130:1752.0 131:1423.0 132:195.0 133:2932.0 134:452.0 135:120.0 136:33.0 138:1.0 142:70.0 143:3155.0 144:309.0 145:222.0 146:39.0 147:30054.0 148:5051.0 149:3069.0 150:453.0 151:87.0 152:20.0 153:15.0 154:63.0 157:72.0 158:521.0 159:165.0 160:57.0 161:52.0 162:52.0 163:85.0 164:25.0 166:78.0 167:9.0 171:3.0 176:32.0 177:3882.0 178:693.0 179:264.0 181:2.0 182:387.0 183:53.0 184:111.0 185:8.0 189:35.0 190:20.0 191:400.0 192:20.0 193:15.0 194:6.0 195:4.0 197:50.0 198:1.0 199:4.0 203:50.0 205:385.0 206:106.0 207:19.0 208:19.0 209:8.0 211:12.0 212:1.0 215:8.0 216:3.0 217:181.0 218:962.0 219:244.0 220:59.0 221:5.0 223:2.0 231:63.0 233:4495.0 234:920.0 235:420.0 236:44.0 237:14.0 239:12.0 240:2.0 242:5.0 246:8.0 247:2.0 248:33.0 249:30.0 251:27.0 252:3.0 253:3.0 254:2.0 255:6.0 256:4.0 261:8.0 265:15.0 266:4.0 267:5.0 269:2.0 271:1.0 273:3.0 275:3.0 276:1.0 277:65.0 283:49.0 285:5.0 286:6.0 289:1.0 292:1.0 293:20.0 294:2.0 296:1.0 300:22.0 301:2.0 302:4.0 303:2.0 307:1.0 309:8.0 312:1.0 320:1.0 322:14.0 326:3.0 330:14.0 332:11.0 338:26.0 341:63.0 347:3.0 348:4.0 354:4.0 366:6.0 368:1.0 369:14.0 370:9.0 371:8.0 376:2.0 378:6.0 383:1.0 394:34.0 400:23.0 403:12.0 405:42.0 406:7.0 411:26.0 415:2.0 418:2.0 421:10.0 429:4.0 430:2.0 436:4.0 437:41.0 438:11.0 440:3.0 443:1.0 445:1.0 446:1.0 450:24.0 452:2.0 454:27.0 455:3.0 460:8.0 462:13.0 465:28.0 466:1.0 468:47.0 469:1.0 470:1.0 473:13.0 476:1.0 482:1.0 483:8.0 489:16.0 492:21.0 494:21.0 497:34.0 174 34153_diglycerol 34153 591074 85:905.0 86:267.0 87:916.0 88:733.0 89:1908.0 90:196.0 91:131.0 92:18.0 93:172.0 94:64.0 95:124.0 97:55.0 98:65.0 99:905.0 100:425.0 101:11757.0 102:1309.0 103:41609.0 104:3967.0 105:1938.0 106:282.0 107:68.0 108:95.0 109:75.0 110:106.0 111:279.0 112:76.0 113:288.0 114:248.0 115:2298.0 116:4465.0 117:13368.0 118:1598.0 119:1251.0 120:68.0 121:193.0 122:90.0 123:11.0 124:35.0 127:50.0 129:14510.0 130:4792.0 131:8043.0 132:1182.0 133:9297.0 134:1591.0 135:853.0 136:175.0 137:41.0 138:26.0 139:3.0 140:116.0 141:80.0 142:98.0 143:2223.0 144:355.0 145:5011.0 146:620.0 147:23463.0 148:3950.0 149:3098.0 150:441.0 151:290.0 152:11.0 153:85.0 154:5.0 155:114.0 156:121.0 157:300.0 158:196.0 159:519.0 160:85.0 161:157.0 162:120.0 163:1019.0 164:243.0 165:173.0 166:25.0 167:168.0 168:112.0 169:323.0 170:52.0 171:803.0 172:85.0 173:289.0 174:80.0 175:1165.0 176:207.0 177:562.0 178:75.0 179:131.0 181:155.0 182:33.0 183:135.0 184:567.0 185:332.0 186:62.0 187:136.0 188:191.0 189:1389.0 190:280.0 191:902.0 192:133.0 193:349.0 194:23.0 195:303.0 196:52.0 197:55.0 198:53.0 200:16.0 203:2033.0 204:2490.0 205:8677.0 206:1699.0 207:1495.0 208:269.0 209:113.0 210:59.0 211:1138.0 212:379.0 213:196.0 216:35.0 217:10867.0 218:4086.0 219:5079.0 220:1127.0 221:539.0 222:162.0 223:99.0 224:30.0 225:172.0 226:86.0 227:312.0 228:34.0 229:67.0 231:198.0 232:121.0 233:138.0 234:124.0 235:98.0 236:20.0 237:46.0 238:5.0 239:10.0 240:39.0 241:213.0 242:8.0 243:156.0 244:90.0 245:69.0 246:6.0 247:237.0 248:105.0 249:351.0 250:38.0 253:37.0 255:1.0 256:252.0 257:60.0 259:314.0 260:38.0 261:988.0 262:256.0 263:83.0 264:17.0 269:14.0 270:16.0 274:102.0 277:78.0 279:10.0 282:11.0 283:20.0 284:27.0 285:169.0 286:39.0 287:46.0 291:45.0 292:49.0 293:181.0 294:2.0 295:38.0 298:123.0 299:2763.0 300:701.0 301:342.0 302:94.0 303:23.0 306:75.0 307:53.0 310:20.0 313:21.0 314:88.0 315:561.0 316:141.0 317:70.0 319:123.0 320:99.0 327:39.0 328:156.0 329:13.0 330:48.0 336:5.0 341:135.0 342:37.0 343:47.0 347:11.0 349:48.0 350:29.0 351:31.0 353:20.0 356:21.0 357:1752.0 358:484.0 359:316.0 360:82.0 361:38.0 364:811.0 365:291.0 366:139.0 367:29.0 370:209.0 371:45.0 372:23.0 373:128.0 374:103.0 375:20.0 376:48.0 386:47.0 387:207.0 388:63.0 389:106.0 390:26.0 391:29.0 395:3.0 406:20.0 408:20.0 409:5.0 411:38.0 415:27.0 420:22.0 431:8.0 435:8.0 436:8.0 439:1.0 440:9.0 445:250.0 446:55.0 447:69.0 456:23.0 467:14.0 481:3.0 177 34178_alanine 34178 243971 85:333.0 86:2106.0 87:467.0 88:280.0 89:5.0 90:53.0 91:138.0 92:168.0 93:215.0 94:1333.0 95:43.0 96:6.0 98:74.0 99:48.0 100:4652.0 101:1063.0 102:1419.0 103:3674.0 104:501.0 105:328.0 106:3.0 108:75.0 109:236.0 110:175.0 112:94.0 114:926.0 115:860.0 116:84295.0 117:10442.0 118:3671.0 119:545.0 120:126.0 121:65.0 122:38.0 123:90.0 124:32.0 125:42.0 126:107.0 127:278.0 128:1618.0 129:278.0 130:1195.0 131:1247.0 132:780.0 133:1866.0 135:398.0 136:368.0 137:39.0 139:7.0 142:27.0 143:261.0 144:292.0 146:372.0 147:16636.0 148:3001.0 149:1208.0 150:56.0 151:156.0 154:1.0 155:10.0 157:1.0 158:89.0 159:33.0 160:61.0 162:20.0 171:25.0 172:1.0 173:9.0 174:443.0 175:142.0 176:51.0 184:797.0 185:124.0 186:37.0 188:40.0 190:3379.0 191:874.0 192:270.0 193:28.0 196:4.0 199:308.0 200:18.0 201:15.0 202:49.0 204:8.0 211:32.0 213:27.0 218:1059.0 219:188.0 220:50.0 225:9.0 227:19.0 229:2.0 230:6.0 232:7.0 233:15.0 234:5.0 273:37.0 289:237.0 290:43.0 292:3.0 302:21.0 322:5.0 340:3.0 343:3.0 345:8.0 360:6.0 372:4.0 391:5.0 397:20.0 405:25.0 408:24.0 413:22.0 416:4.0 421:4.0 432:5.0 457:8.0 467:7.0 471:5.0 474:3.0 478:5.0 481:2.0 482:6.0 499:14.0 103 36_benzoic acid 36 339067 86:343.0 87:342.0 88:702.0 89:324.0 90:144.0 91:469.0 93:84.0 95:73.0 98:224.0 101:459.0 102:419.0 103:2363.0 105:19922.0 106:1506.0 107:541.0 108:41.0 109:28.0 115:81.0 116:11012.0 117:1187.0 118:403.0 119:326.0 120:194.0 121:192.0 128:258.0 130:1267.0 131:785.0 132:5944.0 133:1178.0 134:622.0 135:12484.0 136:1522.0 137:356.0 139:52.0 144:953.0 146:581.0 149:399.0 158:68.0 159:237.0 160:66.0 161:45.0 163:48.0 167:18.0 169:14.0 178:46.0 179:11997.0 180:1513.0 181:445.0 182:55.0 184:37.0 188:108.0 193:73.0 194:797.0 195:74.0 219:190.0 234:165.0 237:19.0 255:24.0 270:29.0 271:17.0 286:14.0 287:14.0 289:27.0 291:17.0 292:21.0 297:17.0 298:13.0 320:16.0 324:22.0 329:13.0 330:27.0 347:33.0 350:16.0 390:23.0 396:23.0 399:21.0 402:25.0 409:21.0 433:19.0 443:28.0 445:12.0 447:16.0 460:17.0 462:12.0 478:20.0 486:23.0 492:29.0 497:16.0 129 4_phosphate 4 345365 85:2157.0 86:4845.0 87:5305.0 88:1544.0 89:6178.0 90:913.0 91:5486.0 92:639.0 93:1090.0 94:256.0 95:178.0 96:901.0 97:221.0 98:1216.0 99:626.0 100:3524.0 103:17906.0 104:4250.0 105:12326.0 106:1911.0 107:7514.0 108:751.0 109:2429.0 110:239.0 112:225.0 113:1044.0 114:607.0 115:23611.0 116:3246.0 117:2166.0 118:1082.0 119:15220.0 120:2183.0 121:11456.0 122:1330.0 123:5152.0 124:478.0 125:397.0 126:608.0 130:541.0 131:11922.0 132:2542.0 133:82619.0 134:12079.0 135:30184.0 136:3182.0 137:17801.0 138:1549.0 139:1516.0 140:106.0 141:38.0 143:303.0 144:110.0 145:852.0 146:352.0 147:11829.0 148:2149.0 149:2002.0 150:962.0 151:12734.0 152:1341.0 153:2065.0 154:229.0 155:225.0 157:186.0 161:725.0 162:345.0 163:2689.0 164:611.0 165:6169.0 166:1281.0 167:5995.0 168:802.0 169:702.0 170:270.0 171:601.0 172:427.0 173:309.0 174:8375.0 175:1438.0 176:1170.0 177:3097.0 178:1271.0 179:3751.0 180:1142.0 181:17093.0 182:2582.0 183:6047.0 184:1278.0 185:815.0 186:332.0 187:214.0 188:347.0 189:5568.0 190:1226.0 191:21424.0 192:4536.0 193:26195.0 194:4803.0 195:6376.0 196:1216.0 197:1848.0 198:512.0 199:299.0 200:318.0 201:67.0 202:241.0 203:104.0 206:258.0 207:22356.0 208:4669.0 209:3774.0 210:1226.0 211:53568.0 212:8122.0 213:3966.0 214:536.0 215:251.0 216:68.0 221:1996.0 222:436.0 223:582.0 224:176.0 225:12691.0 226:2134.0 227:3444.0 228:478.0 229:232.0 230:91.0 233:94.0 235:47.0 237:160.0 238:106.0 239:393.0 240:107.0 241:154.0 242:18.0 243:76.0 244:60.0 248:39.0 249:62.0 250:82.0 251:135.0 252:114.0 253:953.0 254:289.0 255:766.0 256:327.0 257:133.0 258:64.0 261:72.0 263:51.0 266:12.0 267:931.0 268:405.0 269:1724.0 270:392.0 271:338.0 272:124.0 273:86.0 274:51.0 275:104.0 279:10.0 281:20.0 282:213.0 283:13073.0 284:3709.0 285:2127.0 286:429.0 287:69.0 288:68.0 290:87.0 291:16.0 292:60.0 294:88.0 296:13.0 297:172.0 298:3530.0 299:194352.0 300:49418.0 301:26327.0 302:4432.0 303:1082.0 304:228.0 305:87.0 306:177.0 307:170.0 308:128.0 309:164.0 310:108.0 311:123.0 312:74.0 313:765.0 314:25498.0 315:6708.0 316:3215.0 317:575.0 318:83.0 323:28.0 338:46.0 341:66.0 343:26.0 350:26.0 354:47.0 358:95.0 360:89.0 361:46.0 363:33.0 364:27.0 372:92.0 374:78.0 375:97.0 377:18.0 380:30.0 382:39.0 386:28.0 387:35.0 392:36.0 394:38.0 398:32.0 414:36.0 416:26.0 418:25.0 421:47.0 423:39.0 426:18.0 444:39.0 447:43.0 449:37.0 451:28.0 455:23.0 457:16.0 461:39.0 469:37.0 472:26.0 477:6.0 483:38.0 487:24.0 489:50.0 491:50.0 492:51.0 493:66.0 497:45.0 499:49.0 500:21.0 179 4081_N-acetylaspartic acid 4081 548028 85:424.0 86:274.0 87:183.0 88:123.0 93:100.0 94:61.0 95:123.0 98:237.0 99:211.0 100:820.0 101:420.0 102:186.0 103:219.0 104:72.0 107:36.0 109:95.0 110:133.0 111:191.0 112:302.0 113:107.0 114:107.0 115:220.0 116:1962.0 117:4292.0 118:543.0 119:205.0 120:45.0 121:29.0 123:35.0 124:18.0 128:132.0 129:1942.0 130:860.0 131:1103.0 132:1033.0 133:678.0 134:131.0 135:58.0 137:52.0 138:25.0 139:83.0 141:46.0 142:642.0 143:109.0 144:1199.0 145:624.0 146:252.0 147:1572.0 148:266.0 149:297.0 151:35.0 155:93.0 156:56.0 157:132.0 158:3465.0 159:580.0 160:1711.0 161:203.0 162:102.0 163:31.0 166:17.0 167:26.0 170:34.0 171:110.0 172:201.0 173:129.0 174:83.0 179:19.0 184:139.0 185:132.0 186:262.0 187:147.0 201:162.0 202:982.0 203:136.0 204:70.0 207:49.0 214:212.0 215:44.0 216:38.0 217:182.0 222:28.0 227:15.0 228:17.0 229:99.0 230:19.0 232:51.0 233:19.0 234:40.0 235:17.0 236:14.0 242:21.0 245:363.0 246:110.0 247:42.0 251:20.0 253:25.0 254:20.0 255:19.0 257:566.0 258:149.0 259:66.0 262:25.0 263:36.0 265:28.0 266:28.0 271:16.0 272:24.0 273:14.0 274:14.0 275:127.0 276:121.0 279:26.0 283:20.0 285:18.0 287:39.0 292:20.0 297:17.0 298:16.0 300:31.0 304:317.0 309:24.0 311:29.0 319:21.0 321:12.0 326:19.0 327:27.0 328:17.0 329:21.0 331:14.0 332:24.0 335:39.0 338:13.0 342:20.0 344:20.0 345:12.0 346:20.0 348:16.0 350:21.0 351:22.0 354:35.0 356:22.0 357:25.0 359:21.0 360:22.0 361:30.0 362:28.0 363:17.0 367:14.0 369:32.0 370:21.0 374:31.0 377:32.0 378:26.0 380:24.0 382:30.0 386:17.0 389:13.0 390:19.0 395:19.0 397:26.0 399:21.0 403:19.0 405:20.0 407:29.0 409:37.0 428:32.0 432:28.0 436:23.0 437:38.0 443:18.0 444:13.0 447:26.0 449:24.0 450:22.0 451:30.0 452:20.0 455:34.0 459:41.0 468:31.0 473:35.0 477:20.0 486:20.0 488:23.0 491:13.0 497:26.0 500:15.0 314 411_taurine 411 556690 86:2130.0 87:334.0 88:217.0 89:78.0 92:47.0 93:57.0 97:88.0 98:93.0 99:119.0 100:4174.0 101:454.0 102:217.0 103:217.0 107:36.0 108:25.0 109:19.0 112:58.0 113:180.0 114:847.0 115:350.0 116:363.0 117:448.0 118:82.0 119:207.0 120:64.0 121:24.0 122:20.0 123:74.0 125:29.0 126:59.0 127:101.0 128:32.0 129:92.0 130:2016.0 131:964.0 132:316.0 133:2858.0 134:422.0 135:269.0 139:20.0 143:41.0 144:51.0 146:193.0 147:7511.0 148:1222.0 149:634.0 150:83.0 152:70.0 153:97.0 154:40.0 155:20.0 158:77.0 160:649.0 161:109.0 162:69.0 163:22.0 165:17.0 170:31.0 172:580.0 173:127.0 174:2470.0 175:412.0 176:155.0 186:17.0 187:44.0 188:1140.0 189:242.0 190:113.0 195:65.0 196:49.0 201:14.0 204:34.0 205:41.0 210:25.0 211:131.0 213:21.0 215:13.0 225:650.0 226:79.0 227:83.0 231:21.0 238:473.0 239:70.0 240:60.0 242:22.0 247:16.0 248:196.0 251:14.0 252:22.0 254:26.0 255:36.0 261:27.0 262:16.0 267:15.0 269:24.0 275:18.0 277:16.0 279:37.0 281:26.0 284:17.0 286:27.0 290:13.0 292:32.0 296:32.0 297:39.0 299:14.0 301:14.0 302:16.0 303:39.0 305:31.0 306:16.0 307:15.0 308:21.0 309:22.0 318:18.0 321:22.0 323:12.0 325:86.0 326:2877.0 327:829.0 328:461.0 329:136.0 330:55.0 332:28.0 334:21.0 335:26.0 336:17.0 337:18.0 342:21.0 343:20.0 347:20.0 354:21.0 355:21.0 356:29.0 363:14.0 364:21.0 369:26.0 371:23.0 372:21.0 376:25.0 378:19.0 379:27.0 380:29.0 381:28.0 382:22.0 385:29.0 387:25.0 388:29.0 391:31.0 392:22.0 394:22.0 395:29.0 396:27.0 397:31.0 401:24.0 403:34.0 404:22.0 405:30.0 406:26.0 407:29.0 408:18.0 416:33.0 417:19.0 418:30.0 420:28.0 421:13.0 423:14.0 426:21.0 427:25.0 428:41.0 429:19.0 430:31.0 433:26.0 435:13.0 436:18.0 438:25.0 439:14.0 440:31.0 441:20.0 442:17.0 445:26.0 447:37.0 451:16.0 453:31.0 454:17.0 456:20.0 457:25.0 458:18.0 459:17.0 461:20.0 462:23.0 463:23.0 464:25.0 465:27.0 467:15.0 468:15.0 469:22.0 472:31.0 474:25.0 477:18.0 481:30.0 483:34.0 485:41.0 486:14.0 490:19.0 491:27.0 492:16.0 147 413_aminomalonate 413 455754 86:2942.0 88:141.0 89:112.0 91:83.0 95:21.0 96:52.0 99:117.0 100:1404.0 101:500.0 102:258.0 103:262.0 105:161.0 113:119.0 114:63.0 115:110.0 116:295.0 117:454.0 119:188.0 120:63.0 121:40.0 122:45.0 131:1530.0 132:103.0 133:2100.0 134:376.0 143:19.0 144:92.0 147:5888.0 148:433.0 149:305.0 152:37.0 154:11.0 158:171.0 160:45.0 161:81.0 164:29.0 167:17.0 173:76.0 174:1023.0 175:272.0 176:72.0 178:67.0 184:42.0 188:48.0 204:78.0 205:64.0 211:13.0 213:29.0 218:2826.0 219:556.0 220:208.0 221:31.0 224:31.0 229:15.0 231:22.0 237:16.0 240:7.0 248:256.0 249:114.0 250:61.0 256:21.0 257:46.0 259:31.0 260:6.0 261:16.0 263:24.0 265:54.0 266:30.0 268:16.0 270:38.0 275:9.0 276:83.0 277:42.0 283:37.0 288:12.0 290:10.0 291:27.0 292:411.0 293:171.0 294:35.0 298:33.0 305:24.0 307:55.0 320:685.0 321:241.0 324:12.0 325:14.0 326:17.0 328:29.0 331:20.0 335:38.0 345:15.0 350:18.0 354:21.0 365:13.0 366:45.0 368:34.0 373:17.0 382:11.0 390:43.0 398:28.0 415:20.0 422:14.0 431:12.0 432:28.0 441:23.0 446:19.0 448:13.0 453:13.0 465:17.0 467:30.0 472:13.0 477:58.0 326 415_lactamide 415 265698 85:1749.0 87:1762.0 89:31131.0 90:2897.0 91:1945.0 92:184.0 94:441.0 95:287.0 97:1518.0 98:396.0 99:628.0 100:51033.0 101:14200.0 102:5426.0 105:918.0 106:175.0 107:253.0 109:199.0 111:174.0 114:3184.0 115:2023.0 116:1645.0 117:30102.0 118:3480.0 119:2258.0 120:148.0 121:163.0 123:194.0 124:623.0 125:101.0 126:730.0 128:628.0 129:423.0 130:2586.0 136:194.0 137:92.0 140:32.0 141:54.0 144:2161.0 145:390.0 147:8890.0 151:572.0 153:61.0 156:15.0 158:1103.0 159:213.0 163:1095.0 164:72.0 165:186.0 168:31.0 169:199.0 170:80.0 172:93.0 173:190.0 175:251.0 177:106.0 178:68.0 179:177.0 181:82.0 183:37.0 186:119.0 188:1259.0 189:361.0 190:3313.0 191:2908.0 192:787.0 193:560.0 194:110.0 195:43.0 200:170.0 201:75.0 202:64.0 203:104.0 204:571.0 208:38.0 209:23.0 210:24.0 215:30.0 216:219.0 217:385.0 218:117.0 219:107.0 228:31.0 230:47.0 231:38.0 232:9768.0 233:1998.0 234:820.0 244:20.0 248:4919.0 249:1028.0 250:480.0 251:341.0 252:90.0 258:53.0 263:449.0 264:84.0 267:1470.0 268:359.0 269:224.0 271:36.0 273:23.0 303:21.0 311:32.0 312:16.0 324:25.0 330:32.0 351:26.0 355:236.0 357:150.0 376:17.0 381:15.0 405:30.0 409:32.0 427:21.0 442:26.0 447:17.0 448:19.0 450:32.0 453:19.0 456:18.0 458:13.0 468:19.0 475:26.0 477:55.0 479:26.0 481:21.0 483:41.0 496:15.0 499:16.0 218 41988_phosphoethanolamine 41988 604335 85:4482.0 86:63617.0 87:12014.0 88:3644.0 89:3383.0 90:821.0 91:1349.0 92:430.0 93:340.0 94:5.0 95:45.0 96:789.0 97:261.0 98:2892.0 99:2491.0 100:203982.0 101:23440.0 102:10502.0 103:8600.0 104:1871.0 105:4659.0 106:990.0 107:3114.0 108:204.0 109:543.0 111:145.0 112:388.0 113:3848.0 114:98861.0 115:59768.0 116:15091.0 117:9619.0 118:1800.0 119:8190.0 120:1538.0 121:5493.0 122:606.0 123:1961.0 124:515.0 125:85.0 128:62.0 129:2129.0 130:30382.0 131:14533.0 132:4840.0 133:53920.0 134:6221.0 135:20939.0 136:2565.0 137:8091.0 138:859.0 139:660.0 140:175.0 141:39.0 142:480.0 143:429.0 144:1058.0 145:853.0 146:2326.0 147:19561.0 148:2696.0 149:2350.0 150:593.0 151:6437.0 152:763.0 153:1171.0 154:260.0 155:22.0 156:709.0 157:254.0 158:1418.0 159:387.0 160:419.0 161:351.0 162:167.0 163:1734.0 164:318.0 165:2830.0 166:497.0 167:2413.0 168:318.0 169:281.0 170:660.0 171:361.0 172:122311.0 173:23433.0 174:125344.0 175:23127.0 176:10057.0 177:3022.0 178:1046.0 179:3142.0 180:684.0 181:8784.0 182:1323.0 183:2992.0 184:64.0 185:156.0 186:1906.0 187:11777.0 188:79520.0 189:20208.0 190:8044.0 191:10923.0 192:2705.0 193:16591.0 194:3172.0 195:9027.0 196:1564.0 197:2092.0 198:253.0 199:283.0 200:85.0 201:117.0 202:55.0 203:294.0 204:221.0 205:2997.0 206:768.0 207:14594.0 208:3232.0 209:3098.0 210:2025.0 211:28375.0 212:3741.0 213:2527.0 214:276.0 215:107.0 216:181.0 217:100.0 219:28.0 221:1363.0 222:185.0 224:87.0 225:10937.0 226:2086.0 227:2518.0 228:393.0 229:88.0 230:53.0 231:38.0 232:392.0 233:79.0 234:40.0 235:71.0 236:964.0 237:366.0 238:344.0 239:228.0 240:775.0 241:761.0 242:179.0 243:172.0 244:8.0 246:5.0 247:38.0 249:281.0 250:97.0 251:28.0 252:391.0 253:729.0 254:353.0 255:865.0 256:158.0 257:127.0 265:118.0 266:127.0 267:794.0 268:625.0 269:1892.0 270:458.0 271:262.0 272:45.0 273:4.0 276:35.0 278:27.0 280:14.0 281:87.0 282:212.0 283:7536.0 284:2227.0 285:2163.0 286:428.0 287:268.0 288:37.0 290:3.0 291:51.0 294:170.0 295:109.0 296:24.0 297:188.0 298:5767.0 299:122279.0 300:32289.0 301:17320.0 302:3081.0 303:1002.0 304:54.0 305:98.0 306:74.0 307:99.0 308:150.0 309:224.0 310:2417.0 311:689.0 312:412.0 313:1724.0 314:9778.0 315:25666.0 316:7519.0 317:3548.0 318:701.0 319:256.0 320:102.0 321:109.0 322:35.0 323:37.0 324:53.0 325:132.0 326:4887.0 327:1738.0 328:21639.0 329:5681.0 330:3172.0 331:674.0 332:106.0 334:22.0 335:2.0 337:21.0 340:99.0 341:1329.0 342:343.0 343:144.0 350:31.0 352:25.0 353:7.0 354:3.0 355:71.0 356:134.0 357:68.0 358:22.0 359:14.0 366:3.0 367:28.0 371:101.0 372:68.0 373:176.0 374:88.0 383:63.0 384:103.0 386:291.0 387:1347.0 388:541.0 389:283.0 390:28.0 398:115.0 399:44.0 400:25.0 401:38.0 402:6.0 413:316.0 414:7758.0 415:3240.0 416:1706.0 417:509.0 418:131.0 420:7.0 429:155.0 431:19.0 435:6.0 454:6.0 470:12.0 471:17.0 492:1.0 243 42027_ribulose-5-phosphate 42027 735908 85:312.0 86:310.0 87:77.0 88:272.0 89:2115.0 90:271.0 96:12.0 99:105.0 100:160.0 101:1037.0 102:89.0 103:1721.0 104:95.0 105:109.0 107:84.0 108:34.0 110:262.0 111:56.0 112:122.0 114:472.0 116:326.0 117:494.0 126:132.0 127:336.0 128:150.0 129:548.0 130:484.0 131:650.0 133:1471.0 134:596.0 135:26.0 137:39.0 139:9.0 140:48.0 142:152.0 143:193.0 144:59.0 146:124.0 147:3134.0 148:114.0 149:256.0 151:81.0 152:67.0 154:1.0 159:67.0 161:54.0 163:31.0 168:56.0 172:102.0 173:40.0 174:24.0 177:7.0 179:38.0 181:3.0 183:35.0 184:98.0 185:37.0 186:118.0 188:31.0 189:114.0 190:8.0 191:331.0 192:108.0 193:81.0 195:65.0 198:58.0 200:22.0 201:211.0 202:90.0 203:21.0 204:30.0 205:121.0 209:29.0 210:30.0 211:418.0 212:29.0 213:68.0 214:20.0 215:51.0 216:54.0 217:366.0 218:35.0 221:38.0 222:24.0 224:8.0 225:195.0 226:20.0 227:62.0 228:16.0 230:37.0 231:26.0 232:21.0 239:39.0 240:16.0 242:60.0 243:10.0 244:89.0 245:25.0 248:1.0 253:29.0 254:4.0 256:61.0 257:2.0 260:30.0 261:40.0 262:53.0 265:52.0 269:43.0 273:13.0 276:24.0 278:4.0 284:3.0 285:45.0 287:5.0 293:16.0 294:5.0 298:11.0 299:1106.0 300:267.0 301:133.0 303:4.0 304:10.0 305:263.0 306:8.0 307:1.0 308:28.0 310:42.0 312:16.0 314:63.0 315:35.0 317:13.0 318:87.0 319:12.0 320:7.0 321:4.0 331:5.0 332:51.0 333:34.0 334:11.0 341:103.0 342:57.0 344:30.0 346:35.0 347:40.0 348:40.0 350:7.0 351:19.0 356:46.0 357:3265.0 358:932.0 359:540.0 360:123.0 362:39.0 363:10.0 365:17.0 368:8.0 370:1.0 374:11.0 376:8.0 377:26.0 378:9.0 379:22.0 380:4.0 382:10.0 387:69.0 388:11.0 389:45.0 390:11.0 391:5.0 392:19.0 397:2.0 404:14.0 406:5.0 409:9.0 413:26.0 415:1.0 416:38.0 418:4.0 426:10.0 433:44.0 435:18.0 443:5.0 446:4.0 456:9.0 457:5.0 459:2.0 463:7.0 472:7.0 482:14.0 486:21.0 489:5.0 494:36.0 499:26.0 188 4211_hydroxylamine 4211 253158 85:497.0 86:2803.0 87:818.0 88:210.0 89:444.0 90:52.0 99:143.0 100:1769.0 101:310.0 102:90.0 103:289.0 113:392.0 114:359.0 115:278.0 116:400.0 117:769.0 118:165.0 119:4073.0 120:347.0 121:246.0 130:2689.0 131:1261.0 132:534.0 133:5379.0 134:778.0 135:325.0 140:17.0 144:46.0 145:193.0 146:4483.0 147:2330.0 148:211.0 160:124.0 161:218.0 171:38.0 172:25.0 177:32.0 178:25.0 187:27.0 188:34.0 204:99.0 205:14.0 220:16.0 238:19.0 245:26.0 249:706.0 250:159.0 365:11.0 384:23.0 426:18.0 123 42194_tocopherol beta NIST 42194 1022815 85:68.0 93:9.0 95:72.0 97:57.0 101:38.0 107:36.0 111:19.0 123:55.0 127:63.0 129:202.0 130:38.0 136:55.0 142:24.0 143:39.0 145:98.0 152:6.0 153:2.0 155:35.0 159:62.0 164:8.0 165:77.0 166:38.0 167:38.0 175:69.0 176:70.0 177:140.0 179:134.0 180:79.0 181:32.0 183:18.0 186:9.0 188:18.0 189:66.0 192:33.0 193:427.0 194:381.0 195:216.0 196:45.0 198:15.0 203:20.0 204:10.0 205:59.0 206:20.0 207:797.0 208:341.0 209:512.0 210:90.0 212:79.0 213:29.0 216:17.0 218:4.0 219:45.0 220:36.0 222:2661.0 223:1938.0 224:457.0 225:97.0 226:22.0 232:10.0 233:31.0 235:109.0 236:9.0 237:64.0 239:27.0 242:41.0 243:18.0 248:28.0 249:126.0 250:14.0 251:38.0 253:159.0 256:2.0 260:1.0 261:30.0 263:365.0 264:43.0 265:57.0 269:28.0 271:6.0 277:38.0 281:333.0 282:142.0 283:152.0 286:2.0 297:4.0 300:11.0 309:176.0 310:63.0 311:17.0 313:27.0 314:41.0 315:4.0 316:6.0 317:15.0 318:6.0 324:12.0 326:25.0 327:31.0 328:44.0 329:7.0 332:10.0 333:10.0 339:27.0 340:21.0 341:240.0 343:72.0 344:51.0 345:16.0 347:13.0 353:15.0 355:155.0 356:107.0 357:12.0 358:10.0 360:14.0 362:6.0 366:16.0 370:7.0 371:42.0 373:5.0 376:4.0 380:7.0 382:6.0 385:2.0 388:2.0 391:10.0 393:11.0 394:3.0 397:10.0 401:35.0 402:41.0 404:15.0 415:29.0 416:40.0 431:27.0 432:12.0 445:14.0 447:49.0 450:9.0 451:9.0 455:11.0 457:9.0 459:80.0 461:5.0 462:10.0 469:4.0 475:61.0 476:41.0 477:36.0 478:15.0 484:7.0 487:32.0 488:746.0 489:506.0 490:278.0 491:94.0 492:30.0 493:8.0 494:17.0 98 42937_cholestan-3-ol 42937 1082070 85:915.0 86:94.0 87:34.0 89:485.0 91:4176.0 92:787.0 93:4869.0 94:1228.0 95:5414.0 96:299.0 97:914.0 98:121.0 99:603.0 100:190.0 101:817.0 103:357.0 104:284.0 105:3131.0 106:3045.0 107:4872.0 108:1660.0 109:2455.0 110:512.0 111:1052.0 112:39.0 113:254.0 115:321.0 116:86.0 117:909.0 118:257.0 119:2448.0 120:1216.0 121:2904.0 122:777.0 123:1040.0 124:179.0 125:446.0 128:124.0 129:1634.0 130:938.0 131:1705.0 132:154.0 133:1616.0 134:708.0 135:1659.0 136:493.0 137:319.0 138:409.0 139:126.0 141:95.0 142:1017.0 143:354.0 145:1900.0 146:599.0 147:3576.0 148:758.0 149:596.0 150:80.0 151:144.0 152:206.0 153:137.0 155:1281.0 156:236.0 157:222.0 159:1136.0 160:696.0 161:1256.0 162:346.0 163:185.0 165:289.0 166:92.0 167:70.0 168:10.0 169:216.0 171:145.0 173:651.0 174:150.0 175:574.0 176:116.0 177:293.0 179:440.0 180:87.0 181:299.0 182:87.0 183:170.0 184:110.0 186:20.0 187:318.0 188:82.0 189:301.0 190:92.0 191:229.0 192:75.0 193:1038.0 194:336.0 195:149.0 196:297.0 197:208.0 198:5.0 199:28.0 201:828.0 202:203.0 203:314.0 204:59.0 205:13.0 206:90.0 207:2300.0 208:483.0 209:296.0 210:143.0 211:421.0 212:13.0 213:58.0 214:39.0 215:3526.0 216:2044.0 217:991.0 218:148.0 219:96.0 221:302.0 222:32.0 223:118.0 224:82.0 225:9.0 226:85.0 227:1078.0 228:118.0 229:214.0 230:540.0 231:222.0 233:60.0 234:12.0 235:113.0 237:321.0 238:7.0 241:18.0 243:615.0 244:45.0 245:119.0 247:98.0 249:174.0 250:100.0 251:84.0 252:21.0 253:93.0 255:63.0 256:66.0 257:183.0 258:6.0 261:4.0 262:210.0 263:158.0 264:74.0 265:240.0 267:184.0 268:68.0 271:3.0 275:88.0 276:1.0 280:14.0 281:361.0 282:194.0 283:206.0 284:22.0 285:163.0 286:56.0 287:14.0 288:23.0 291:26.0 296:13.0 298:119.0 299:641.0 300:275.0 301:204.0 302:17.0 305:486.0 306:527.0 307:135.0 308:11.0 309:94.0 310:46.0 312:28.0 313:28.0 314:44.0 315:191.0 316:55.0 317:55.0 319:13.0 320:57.0 325:95.0 327:175.0 328:235.0 329:275.0 330:26.0 331:30.0 332:1.0 339:9.0 340:19.0 341:549.0 342:182.0 345:9.0 353:54.0 355:1023.0 356:80.0 357:18.0 359:34.0 361:2.0 367:32.0 369:191.0 370:353.0 371:185.0 373:118.0 374:2.0 375:8.0 384:7.0 385:13.0 387:45.0 389:32.0 399:19.0 400:5.0 401:31.0 402:182.0 403:273.0 404:137.0 405:11.0 410:4.0 413:37.0 415:168.0 416:116.0 417:64.0 429:17.0 430:85.0 434:21.0 443:18.0 444:42.0 445:521.0 446:298.0 447:17.0 448:16.0 453:22.0 456:4.0 459:18.0 460:402.0 461:375.0 462:16.0 463:29.0 468:12.0 475:134.0 476:78.0 477:61.0 478:9.0 488:8.0 489:69.0 490:124.0 491:67.0 492:33.0 493:3.0 235 43_elaidic acid 43 779120 85:2268.0 86:703.0 87:608.0 88:472.0 89:1302.0 90:134.0 91:1987.0 92:342.0 93:2662.0 94:1268.0 95:7406.0 96:10672.0 97:6738.0 98:7712.0 99:1578.0 100:201.0 101:682.0 102:145.0 103:388.0 104:124.0 105:1450.0 106:261.0 107:1323.0 108:726.0 109:3302.0 110:3665.0 111:2689.0 112:1153.0 113:264.0 114:114.0 115:259.0 116:3180.0 117:34280.0 118:3347.0 119:2670.0 120:259.0 121:1238.0 122:553.0 123:2546.0 124:1400.0 125:653.0 126:61.0 127:330.0 129:26514.0 130:2892.0 131:5601.0 132:4641.0 133:2024.0 134:898.0 135:644.0 136:168.0 137:1491.0 138:987.0 139:415.0 140:159.0 141:275.0 142:202.0 143:1451.0 144:206.0 145:8576.0 146:943.0 147:1511.0 148:170.0 149:213.0 151:827.0 152:1151.0 153:234.0 154:47.0 155:918.0 156:310.0 157:692.0 158:287.0 159:631.0 160:183.0 161:319.0 162:97.0 164:78.0 165:470.0 166:763.0 167:319.0 168:163.0 169:647.0 170:262.0 171:1081.0 172:337.0 173:452.0 174:126.0 175:145.0 176:79.0 177:52.0 179:76.0 180:898.0 181:303.0 182:58.0 183:783.0 184:144.0 185:1676.0 186:316.0 187:260.0 188:203.0 189:91.0 193:156.0 194:179.0 195:47.0 197:136.0 198:86.0 199:1920.0 200:406.0 201:419.0 207:221.0 208:138.0 209:65.0 210:58.0 211:118.0 212:33.0 213:348.0 214:33.0 215:70.0 216:51.0 220:148.0 221:285.0 222:992.0 223:267.0 224:53.0 225:109.0 226:28.0 227:283.0 228:72.0 234:37.0 235:184.0 236:165.0 237:75.0 238:17.0 239:44.0 240:37.0 241:360.0 242:97.0 243:19.0 246:56.0 247:42.0 249:36.0 250:32.0 253:76.0 255:153.0 257:96.0 264:771.0 265:203.0 266:33.0 267:29.0 268:18.0 269:43.0 271:84.0 272:125.0 278:27.0 279:26.0 281:20.0 282:44.0 286:49.0 287:26.0 290:25.0 295:87.0 296:44.0 298:52.0 311:77.0 313:36.0 315:30.0 316:19.0 320:13.0 323:37.0 324:21.0 325:60.0 330:38.0 331:31.0 333:6.0 336:31.0 338:215.0 339:3052.0 340:1051.0 341:266.0 344:32.0 346:23.0 348:27.0 352:25.0 353:38.0 354:197.0 355:27.0 356:35.0 357:41.0 365:26.0 372:26.0 373:25.0 375:28.0 376:18.0 378:42.0 379:24.0 380:7.0 383:21.0 388:14.0 392:16.0 396:34.0 397:29.0 399:46.0 400:33.0 403:43.0 405:40.0 406:37.0 411:35.0 429:21.0 430:14.0 433:27.0 453:15.0 454:31.0 455:28.0 456:57.0 457:22.0 459:37.0 460:23.0 465:13.0 469:14.0 484:16.0 493:20.0 496:41.0 497:26.0 499:18.0 500:20.0 215 43_oleic acid 43 779120 85:2268.0 86:703.0 87:608.0 88:472.0 89:1302.0 90:134.0 91:1987.0 92:342.0 93:2662.0 94:1268.0 95:7406.0 96:10672.0 97:6738.0 98:7712.0 99:1578.0 100:201.0 101:682.0 102:145.0 103:388.0 104:124.0 105:1450.0 106:261.0 107:1323.0 108:726.0 109:3302.0 110:3665.0 111:2689.0 112:1153.0 113:264.0 114:114.0 115:259.0 116:3180.0 117:34280.0 118:3347.0 119:2670.0 120:259.0 121:1238.0 122:553.0 123:2546.0 124:1400.0 125:653.0 126:61.0 127:330.0 129:26514.0 130:2892.0 131:5601.0 132:4641.0 133:2024.0 134:898.0 135:644.0 136:168.0 137:1491.0 138:987.0 139:415.0 140:159.0 141:275.0 142:202.0 143:1451.0 144:206.0 145:8576.0 146:943.0 147:1511.0 148:170.0 149:213.0 151:827.0 152:1151.0 153:234.0 154:47.0 155:918.0 156:310.0 157:692.0 158:287.0 159:631.0 160:183.0 161:319.0 162:97.0 164:78.0 165:470.0 166:763.0 167:319.0 168:163.0 169:647.0 170:262.0 171:1081.0 172:337.0 173:452.0 174:126.0 175:145.0 176:79.0 177:52.0 179:76.0 180:898.0 181:303.0 182:58.0 183:783.0 184:144.0 185:1676.0 186:316.0 187:260.0 188:203.0 189:91.0 193:156.0 194:179.0 195:47.0 197:136.0 198:86.0 199:1920.0 200:406.0 201:419.0 207:221.0 208:138.0 209:65.0 210:58.0 211:118.0 212:33.0 213:348.0 214:33.0 215:70.0 216:51.0 220:148.0 221:285.0 222:992.0 223:267.0 224:53.0 225:109.0 226:28.0 227:283.0 228:72.0 234:37.0 235:184.0 236:165.0 237:75.0 238:17.0 239:44.0 240:37.0 241:360.0 242:97.0 243:19.0 246:56.0 247:42.0 249:36.0 250:32.0 253:76.0 255:153.0 257:96.0 264:771.0 265:203.0 266:33.0 267:29.0 268:18.0 269:43.0 271:84.0 272:125.0 278:27.0 279:26.0 281:20.0 282:44.0 286:49.0 287:26.0 290:25.0 295:87.0 296:44.0 298:52.0 311:77.0 313:36.0 315:30.0 316:19.0 320:13.0 323:37.0 324:21.0 325:60.0 330:38.0 331:31.0 333:6.0 336:31.0 338:215.0 339:3052.0 340:1051.0 341:266.0 344:32.0 346:23.0 348:27.0 352:25.0 353:38.0 354:197.0 355:27.0 356:35.0 357:41.0 365:26.0 372:26.0 373:25.0 375:28.0 376:18.0 378:42.0 379:24.0 380:7.0 383:21.0 388:14.0 392:16.0 396:34.0 397:29.0 399:46.0 400:33.0 403:43.0 405:40.0 406:37.0 411:35.0 429:21.0 430:14.0 433:27.0 453:15.0 454:31.0 455:28.0 456:57.0 457:22.0 459:37.0 460:23.0 465:13.0 469:14.0 484:16.0 493:20.0 496:41.0 497:26.0 499:18.0 500:20.0 339 43180_trans-4-hydroxyproline 43180 460662 86:496.0 88:18.0 90:38.0 91:40.0 100:34.0 101:5.0 106:27.0 107:16.0 108:57.0 110:12.0 111:3.0 116:445.0 118:584.0 120:50.0 124:71.0 128:2.0 130:368.0 133:14.0 134:244.0 135:1.0 136:2.0 137:3.0 142:291.0 143:10.0 148:375.0 150:25.0 153:1.0 158:3885.0 159:532.0 160:154.0 170:138.0 171:41.0 180:2.0 181:4.0 183:3.0 184:35.0 185:30.0 186:36.0 195:2.0 199:2.0 212:1.0 213:2.0 225:8.0 237:2.0 239:1.0 241:1.0 246:9.0 250:45.0 253:1.0 254:65.0 256:4.0 257:1.0 260:170.0 261:11.0 270:1.0 285:2.0 291:8.0 303:5.0 319:4.0 320:1.0 339:10.0 352:4.0 362:1.0 364:3.0 370:1.0 377:3.0 379:6.0 382:27.0 388:1.0 394:15.0 397:13.0 422:23.0 440:16.0 447:14.0 448:2.0 452:7.0 454:3.0 464:7.0 468:3.0 469:9.0 478:4.0 481:6.0 495:6.0 496:13.0 88 441_urea 441 328888 85:42530.0 86:38811.0 87:110384.0 88:17717.0 89:8931.0 90:7871.0 91:3005.0 92:1045.0 93:951.0 94:268.0 95:940.0 96:6840.0 97:11155.0 98:9608.0 99:343261.0 100:185876.0 101:58717.0 102:29857.0 103:25687.0 104:5464.0 105:10123.0 106:1223.0 107:2582.0 108:1135.0 109:22.0 110:3558.0 111:25902.0 112:4992.0 113:24277.0 114:34347.0 115:41196.0 116:28689.0 117:32772.0 118:9123.0 119:4609.0 120:30.0 121:540.0 122:265.0 123:493.0 124:520.0 125:1768.0 126:4244.0 127:4703.0 128:4169.0 129:3526.0 130:106062.0 131:84408.0 132:60937.0 133:38750.0 134:13531.0 135:958.0 136:588.0 137:494.0 138:885.0 139:5100.0 141:15621.0 142:2105.0 143:4943.0 144:661.0 145:259.0 146:80978.0 147:1093291.0 148:189610.0 149:83587.0 150:5716.0 151:899.0 152:73.0 155:20624.0 156:4982.0 157:22323.0 158:3062.0 159:1945.0 160:484.0 161:71.0 163:367.0 164:163.0 165:53.0 166:46.0 167:205.0 168:213.0 169:499.0 170:1167.0 171:745281.0 172:131202.0 173:112262.0 174:16464.0 175:5569.0 176:226.0 177:268.0 178:528.0 179:71.0 180:61.0 181:181.0 182:266.0 183:10.0 184:2952.0 185:1075.0 186:35239.0 187:6327.0 188:4325.0 189:452078.0 190:76637.0 191:37414.0 192:3634.0 193:787.0 195:54.0 196:76.0 197:166.0 198:130.0 199:704.0 200:580.0 204:15295.0 205:2693.0 206:1110.0 207:400.0 209:1332.0 210:146.0 211:1242.0 212:165.0 213:63.0 214:15.0 216:28.0 217:41.0 224:57.0 225:31.0 229:74.0 234:44.0 235:69.0 236:46.0 245:773.0 246:297.0 247:152.0 249:61.0 257:238.0 258:83.0 259:18.0 261:478.0 262:162.0 263:122.0 264:60.0 265:30.0 266:73.0 268:27.0 271:67.0 276:201.0 279:75.0 281:122.0 282:41.0 286:62.0 287:68.0 288:70.0 290:60.0 291:54.0 292:62.0 293:7.0 295:56.0 296:60.0 298:63.0 299:106.0 300:37.0 301:89.0 306:67.0 310:82.0 311:10.0 312:66.0 313:26.0 314:80.0 315:48.0 316:22.0 319:53.0 323:69.0 325:86.0 326:60.0 328:68.0 331:104.0 334:57.0 338:54.0 339:83.0 341:85.0 343:7.0 344:74.0 347:57.0 348:9.0 349:61.0 350:15.0 351:50.0 352:59.0 355:78.0 356:75.0 358:78.0 359:101.0 361:63.0 363:59.0 364:60.0 365:42.0 380:72.0 382:89.0 384:39.0 387:73.0 389:50.0 390:64.0 392:74.0 393:49.0 394:74.0 401:83.0 402:57.0 405:44.0 418:67.0 419:21.0 420:65.0 422:67.0 423:66.0 424:60.0 426:91.0 434:77.0 439:23.0 442:78.0 443:17.0 448:92.0 449:44.0 450:22.0 452:42.0 454:73.0 455:20.0 460:59.0 465:52.0 479:56.0 480:18.0 486:35.0 487:32.0 492:20.0 496:19.0 497:61.0 498:48.0 499:61.0 158 45_methionine 45 483560 86:209.0 87:157.0 88:89.0 92:28.0 96:49.0 98:179.0 100:943.0 101:113.0 102:175.0 103:199.0 104:109.0 105:441.0 107:31.0 114:409.0 115:107.0 117:136.0 118:21.0 122:14.0 128:6524.0 129:603.0 130:496.0 131:1184.0 132:354.0 134:118.0 144:59.0 145:49.0 146:97.0 147:486.0 148:243.0 149:200.0 151:51.0 159:53.0 160:202.0 161:47.0 162:43.0 163:30.0 164:16.0 172:30.0 174:90.0 175:14.0 176:5168.0 177:722.0 178:375.0 179:63.0 181:18.0 184:26.0 187:28.0 188:179.0 189:50.0 192:17.0 195:32.0 200:36.0 202:297.0 203:128.0 204:26.0 206:36.0 218:197.0 219:341.0 220:144.0 221:12.0 232:121.0 243:25.0 250:223.0 251:39.0 252:28.0 257:15.0 266:26.0 270:19.0 277:18.0 278:32.0 279:13.0 285:24.0 292:16.0 293:161.0 295:33.0 301:18.0 305:14.0 307:18.0 308:14.0 322:26.0 331:18.0 351:27.0 357:13.0 375:33.0 462:14.0 477:15.0 243 45341_ethanolamine 45341 343800 85:17544.0 86:175868.0 87:37978.0 88:16848.0 89:41209.0 90:4709.0 91:10643.0 92:1773.0 93:2745.0 94:638.0 95:902.0 96:1260.0 97:1477.0 98:2978.0 99:7231.0 100:169810.0 101:52380.0 102:24044.0 103:172854.0 104:24239.0 105:38562.0 106:5669.0 107:15911.0 108:1840.0 109:5126.0 110:2504.0 111:841.0 112:951.0 113:9857.0 114:19793.0 115:72673.0 116:28088.0 117:182126.0 118:22232.0 119:55318.0 120:8272.0 121:28203.0 122:3810.0 123:12350.0 124:1123.0 125:936.0 126:1139.0 127:1285.0 128:1944.0 129:25367.0 130:29939.0 131:75453.0 132:17909.0 133:346120.0 134:46798.0 135:85438.0 136:10727.0 137:39974.0 138:4687.0 139:4533.0 140:538.0 141:513.0 142:688.0 143:1849.0 144:4760.0 145:5807.0 146:4232.0 147:387099.0 148:58933.0 149:41759.0 150:6187.0 151:37658.0 152:4681.0 153:6042.0 154:547.0 155:372.0 156:238.0 157:245.0 158:11060.0 159:5230.0 160:1895.0 161:3007.0 162:1204.0 163:11560.0 164:2369.0 165:17148.0 166:3588.0 167:14504.0 168:1921.0 169:1632.0 170:493.0 171:1349.0 172:7360.0 173:2691.0 174:355624.0 175:76694.0 176:32605.0 177:22022.0 178:5632.0 179:11259.0 180:3221.0 181:36991.0 182:6129.0 183:13910.0 184:1613.0 185:1557.0 186:506.0 187:1408.0 188:5266.0 189:20079.0 190:5539.0 191:67417.0 192:15546.0 193:70606.0 194:15011.0 195:18172.0 196:3434.0 197:4776.0 198:1053.0 199:778.0 200:483.0 201:1785.0 202:836.0 203:11009.0 204:14324.0 205:95030.0 206:19427.0 207:71860.0 208:16188.0 209:12865.0 210:3991.0 211:115760.0 212:19444.0 213:11349.0 214:1298.0 215:421.0 216:116.0 217:4470.0 218:28065.0 219:6037.0 220:2688.0 221:8448.0 222:2276.0 223:1954.0 224:619.0 225:40685.0 226:7711.0 227:12553.0 228:2049.0 229:997.0 230:99.0 232:201.0 233:79.0 234:17.0 235:67.0 236:24.0 237:347.0 238:137.0 239:1157.0 240:262.0 241:319.0 242:101.0 243:49.0 244:49.0 245:23.0 246:191.0 247:107.0 248:60.0 249:51.0 250:54.0 251:22.0 252:353.0 253:3251.0 254:838.0 255:2819.0 256:815.0 257:420.0 258:120.0 259:98.0 260:219.0 261:501.0 262:5133.0 263:1844.0 264:868.0 265:211.0 266:148.0 267:3778.0 268:1136.0 269:6021.0 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463:1.0 472:6.0 475:4.0 478:2.0 481:16.0 486:2.0 489:1.0 494:10.0 499:23.0 224 4716_s(-)-willardiine 4716 815363 85:77.0 86:140.0 89:384.0 96:17.0 98:73.0 99:66.0 101:781.0 103:4022.0 104:306.0 105:187.0 107:21.0 110:6.0 113:135.0 116:107.0 117:1203.0 122:64.0 123:16.0 124:2.0 125:11.0 127:4.0 128:52.0 129:1442.0 131:555.0 133:504.0 140:58.0 141:26.0 142:251.0 143:284.0 145:34.0 146:22.0 147:4740.0 148:464.0 149:308.0 152:6.0 153:27.0 154:57.0 155:99.0 156:439.0 157:121.0 158:103.0 159:618.0 160:204.0 161:23.0 162:61.0 163:63.0 166:8.0 167:27.0 168:333.0 169:413.0 170:142.0 171:35.0 172:258.0 173:289.0 174:155.0 176:82.0 177:67.0 178:29.0 179:13.0 181:89.0 182:51.0 186:242.0 187:10.0 188:29.0 189:832.0 190:315.0 191:689.0 192:181.0 193:117.0 195:87.0 196:44.0 198:124.0 199:38.0 200:48.0 203:265.0 204:9159.0 205:2070.0 206:1029.0 207:56.0 208:67.0 209:109.0 212:61.0 214:60.0 217:1511.0 218:403.0 219:331.0 220:103.0 221:156.0 223:5.0 224:30.0 225:141.0 226:41.0 227:25.0 228:20.0 229:40.0 230:94.0 231:103.0 233:103.0 236:3.0 237:1.0 238:9.0 240:52.0 241:73.0 242:128.0 243:204.0 244:106.0 245:388.0 246:100.0 249:81.0 251:53.0 252:33.0 254:31.0 255:63.0 256:29.0 257:94.0 258:87.0 259:89.0 260:38.0 262:2.0 263:29.0 265:3.0 266:19.0 270:128.0 271:33.0 272:90.0 273:42.0 274:63.0 277:73.0 279:20.0 280:9.0 288:15.0 290:34.0 291:27.0 292:50.0 293:11.0 302:37.0 303:10.0 305:71.0 307:117.0 311:20.0 313:15.0 315:55.0 316:64.0 318:36.0 319:72.0 320:7.0 325:25.0 327:9.0 329:26.0 331:122.0 332:37.0 333:77.0 336:22.0 337:343.0 338:136.0 339:6.0 341:22.0 342:33.0 343:377.0 344:181.0 345:164.0 346:56.0 348:25.0 350:29.0 351:137.0 360:82.0 361:211.0 362:63.0 370:15.0 373:92.0 374:140.0 375:89.0 376:29.0 377:13.0 383:20.0 385:5.0 386:21.0 392:3.0 394:1.0 396:6.0 400:10.0 401:65.0 403:14.0 415:29.0 416:62.0 417:126.0 418:82.0 419:28.0 420:26.0 430:8.0 431:1.0 432:10.0 438:9.0 439:4.0 440:14.0 442:13.0 445:30.0 446:31.0 447:48.0 448:44.0 449:19.0 455:2.0 459:38.0 460:18.0 466:35.0 468:15.0 475:10.0 484:5.0 489:84.0 492:17.0 204 4730_melibiose 4730 988497 87:30.0 88:14.0 89:775.0 90:43.0 96:163.0 99:91.0 100:296.0 101:841.0 102:257.0 103:3880.0 104:223.0 105:205.0 109:146.0 113:136.0 114:48.0 116:215.0 117:1162.0 118:29.0 125:3.0 129:2842.0 130:613.0 131:483.0 133:1258.0 134:133.0 135:18.0 137:14.0 138:29.0 139:3.0 140:57.0 141:70.0 142:53.0 143:226.0 145:162.0 147:3683.0 148:373.0 149:291.0 150:67.0 153:61.0 154:4.0 155:526.0 156:117.0 157:540.0 158:101.0 159:47.0 160:1690.0 161:781.0 162:278.0 163:389.0 164:70.0 165:91.0 169:1889.0 170:278.0 171:145.0 172:61.0 173:100.0 176:31.0 177:71.0 179:124.0 180:16.0 181:34.0 183:32.0 186:4.0 187:56.0 189:436.0 190:7.0 191:1183.0 192:239.0 193:124.0 195:89.0 197:97.0 198:12.0 201:163.0 202:211.0 203:325.0 204:5949.0 205:1345.0 206:592.0 207:485.0 208:329.0 209:154.0 210:22.0 212:34.0 214:45.0 215:17.0 216:3.0 217:2929.0 218:791.0 219:477.0 220:7.0 224:80.0 225:31.0 227:26.0 229:69.0 230:122.0 231:221.0 232:116.0 233:111.0 234:57.0 235:108.0 236:7.0 237:115.0 239:129.0 240:14.0 243:750.0 244:167.0 245:251.0 246:97.0 247:145.0 248:12.0 249:174.0 250:7.0 251:101.0 253:113.0 254:47.0 255:17.0 256:46.0 257:77.0 259:70.0 261:9.0 263:41.0 264:5.0 265:71.0 266:44.0 268:64.0 271:584.0 272:150.0 273:302.0 274:65.0 275:121.0 276:46.0 277:125.0 278:19.0 279:85.0 280:72.0 281:472.0 283:40.0 284:66.0 285:16.0 287:11.0 290:25.0 291:99.0 292:5.0 293:42.0 295:96.0 296:89.0 297:74.0 298:2.0 300:54.0 303:11.0 305:210.0 306:149.0 307:183.0 309:9.0 312:50.0 313:60.0 314:1.0 317:41.0 318:69.0 319:379.0 320:236.0 321:76.0 322:2.0 323:75.0 324:34.0 326:111.0 327:2.0 328:186.0 329:121.0 330:20.0 331:202.0 332:106.0 333:27.0 334:22.0 335:12.0 336:4.0 338:32.0 340:40.0 341:88.0 342:134.0 343:114.0 346:19.0 347:25.0 349:19.0 353:19.0 354:19.0 355:35.0 356:109.0 357:129.0 358:76.0 360:47.0 361:2637.0 362:939.0 363:548.0 364:136.0 365:17.0 366:7.0 368:53.0 369:9.0 371:45.0 372:15.0 374:13.0 382:7.0 385:50.0 386:13.0 387:1.0 397:18.0 399:15.0 401:51.0 404:9.0 413:17.0 414:50.0 415:220.0 416:57.0 417:3.0 418:19.0 419:32.0 420:3.0 421:10.0 429:153.0 430:3.0 431:44.0 443:18.0 448:11.0 450:22.0 451:53.0 452:47.0 453:3.0 470:9.0 474:25.0 475:64.0 476:9.0 477:62.0 481:1.0 488:38.0 489:53.0 490:10.0 491:135.0 193 4759_inositol-4-monophosphate 4759 845976 100:40.0 104:35.0 107:57.0 113:34.0 117:5.0 128:7.0 129:318.0 133:192.0 137:66.0 142:185.0 143:288.0 144:3.0 147:3716.0 148:705.0 150:3.0 151:84.0 153:82.0 155:66.0 156:40.0 158:31.0 159:5.0 163:11.0 164:91.0 166:55.0 167:35.0 168:65.0 169:49.0 173:33.0 177:50.0 178:26.0 180:12.0 181:79.0 182:9.0 183:29.0 189:11.0 190:133.0 191:543.0 192:52.0 194:70.0 195:10.0 196:25.0 201:25.0 207:133.0 209:68.0 211:490.0 212:79.0 213:19.0 214:48.0 215:71.0 216:35.0 217:1170.0 218:327.0 221:126.0 222:38.0 224:15.0 225:180.0 226:7.0 227:127.0 228:39.0 229:66.0 230:193.0 231:29.0 236:58.0 237:49.0 239:45.0 240:38.0 241:5.0 243:323.0 244:15.0 245:84.0 246:139.0 253:20.0 254:6.0 255:162.0 256:81.0 258:39.0 261:24.0 264:18.0 265:118.0 266:36.0 268:3.0 269:26.0 270:53.0 272:9.0 273:1.0 274:6.0 277:7.0 278:7.0 281:72.0 282:31.0 283:37.0 285:79.0 286:47.0 287:27.0 288:15.0 289:13.0 291:49.0 292:24.0 293:18.0 294:13.0 295:23.0 297:52.0 298:63.0 299:2637.0 300:834.0 301:353.0 302:86.0 303:23.0 304:53.0 305:215.0 306:40.0 307:48.0 308:38.0 309:6.0 313:82.0 314:62.0 315:2011.0 316:590.0 317:361.0 318:2102.0 319:684.0 320:271.0 321:104.0 322:25.0 324:14.0 325:15.0 329:11.0 330:26.0 331:31.0 332:15.0 333:13.0 334:23.0 340:5.0 341:30.0 342:50.0 343:182.0 344:98.0 345:138.0 346:41.0 347:34.0 348:24.0 349:19.0 352:23.0 354:6.0 355:70.0 356:46.0 357:79.0 358:31.0 359:31.0 360:38.0 367:12.0 368:6.0 369:54.0 370:10.0 371:3.0 372:18.0 373:114.0 374:72.0 375:71.0 383:10.0 385:24.0 386:86.0 387:796.0 388:329.0 389:501.0 390:208.0 391:142.0 392:43.0 393:5.0 394:12.0 398:15.0 401:15.0 406:6.0 407:10.0 409:6.0 416:42.0 417:33.0 418:59.0 419:49.0 420:27.0 424:24.0 426:3.0 429:69.0 430:44.0 431:34.0 432:116.0 433:163.0 434:65.0 435:66.0 436:17.0 440:22.0 441:25.0 442:9.0 443:30.0 445:9.0 446:34.0 448:35.0 450:37.0 451:27.0 453:12.0 454:21.0 455:31.0 456:23.0 457:22.0 459:13.0 460:20.0 462:23.0 465:6.0 466:7.0 467:13.0 468:14.0 470:109.0 471:68.0 472:53.0 475:15.0 476:7.0 480:24.0 483:3.0 486:6.0 489:10.0 492:13.0 493:7.0 494:14.0 500:7.0 275 4771_lactose 4771 935640 86:21.0 101:156.0 103:696.0 104:4.0 112:36.0 113:18.0 117:389.0 120:17.0 127:171.0 129:837.0 130:24.0 131:125.0 133:236.0 134:94.0 136:11.0 139:3.0 142:30.0 143:176.0 145:62.0 147:1082.0 149:89.0 155:83.0 156:15.0 157:174.0 161:41.0 163:79.0 164:25.0 165:133.0 169:298.0 170:49.0 175:41.0 177:87.0 178:2.0 179:60.0 187:10.0 189:327.0 190:4.0 191:1441.0 192:295.0 193:304.0 194:86.0 197:56.0 201:17.0 204:3376.0 205:765.0 206:359.0 207:483.0 208:167.0 210:80.0 211:73.0 215:43.0 217:1078.0 218:309.0 219:104.0 222:46.0 223:43.0 227:43.0 228:5.0 229:58.0 230:2.0 231:106.0 232:72.0 234:20.0 235:4.0 237:2.0 242:11.0 243:301.0 244:66.0 245:38.0 246:51.0 249:19.0 250:10.0 251:8.0 252:4.0 255:6.0 257:22.0 259:50.0 260:26.0 261:12.0 263:11.0 266:25.0 267:95.0 268:20.0 271:141.0 272:45.0 273:41.0 275:14.0 276:19.0 277:5.0 279:20.0 280:19.0 281:132.0 282:16.0 285:22.0 289:2.0 290:5.0 291:35.0 292:1.0 296:10.0 300:7.0 303:8.0 305:102.0 306:37.0 318:29.0 319:64.0 320:30.0 322:30.0 325:9.0 329:19.0 331:56.0 338:28.0 340:18.0 341:85.0 342:7.0 343:10.0 346:28.0 349:24.0 351:4.0 353:7.0 354:19.0 356:30.0 359:11.0 360:11.0 361:472.0 362:125.0 363:99.0 364:38.0 368:38.0 369:20.0 370:24.0 380:3.0 383:3.0 384:9.0 387:9.0 391:4.0 396:29.0 399:17.0 400:36.0 403:28.0 406:16.0 410:23.0 411:3.0 415:20.0 421:26.0 424:15.0 427:1.0 431:14.0 453:2.0 454:4.0 456:8.0 457:9.0 460:47.0 462:1.0 463:11.0 465:3.0 479:1.0 480:17.0 487:8.0 488:14.0 489:34.0 490:13.0 491:20.0 497:11.0 315 48_glyceric acid 48 377495 87:199.0 89:698.0 90:111.0 93:56.0 98:33.0 99:176.0 100:63.0 101:1315.0 102:3672.0 103:4054.0 104:371.0 105:293.0 106:106.0 107:60.0 108:48.0 113:36.0 114:94.0 115:261.0 116:366.0 117:2480.0 119:409.0 122:34.0 130:941.0 131:1036.0 133:4658.0 135:416.0 142:23.0 147:8908.0 148:1388.0 149:813.0 157:22.0 158:22.0 159:33.0 161:42.0 162:30.0 163:86.0 166:42.0 175:382.0 176:31.0 177:220.0 189:3993.0 190:816.0 191:384.0 200:21.0 204:145.0 205:651.0 206:186.0 207:46.0 208:59.0 211:24.0 217:219.0 218:46.0 219:121.0 220:23.0 221:61.0 222:50.0 237:34.0 243:25.0 245:26.0 261:32.0 264:27.0 270:30.0 273:47.0 284:30.0 285:37.0 292:1142.0 293:273.0 294:107.0 305:33.0 307:198.0 308:34.0 310:45.0 312:36.0 313:47.0 315:36.0 316:51.0 317:52.0 322:29.0 323:52.0 324:63.0 325:50.0 329:36.0 332:14.0 344:46.0 345:20.0 359:28.0 363:19.0 364:40.0 373:28.0 404:21.0 418:24.0 428:15.0 439:37.0 443:47.0 447:30.0 448:29.0 456:41.0 460:25.0 463:14.0 466:8.0 472:46.0 477:16.0 478:39.0 480:38.0 482:35.0 446 4831_beta-gentiobiose 4831 965404 85:106.0 87:19.0 89:512.0 94:69.0 95:27.0 99:17.0 100:282.0 101:406.0 102:90.0 103:1363.0 105:108.0 107:68.0 108:17.0 111:2.0 112:45.0 113:84.0 114:145.0 115:162.0 116:330.0 117:877.0 118:149.0 119:29.0 126:7.0 128:94.0 129:1369.0 130:311.0 131:848.0 132:5.0 133:63.0 134:76.0 138:35.0 139:27.0 142:229.0 143:213.0 144:56.0 145:29.0 147:1562.0 148:104.0 149:89.0 152:16.0 153:289.0 154:96.0 155:257.0 156:290.0 157:280.0 159:126.0 160:1411.0 161:672.0 162:35.0 163:106.0 164:82.0 165:99.0 167:71.0 169:1085.0 170:60.0 171:9.0 172:47.0 173:266.0 174:206.0 175:111.0 176:47.0 178:19.0 179:140.0 181:105.0 183:73.0 186:45.0 189:382.0 190:100.0 191:744.0 192:59.0 193:644.0 195:141.0 196:69.0 197:59.0 199:30.0 202:420.0 203:297.0 204:4738.0 205:1130.0 206:589.0 207:145.0 208:345.0 212:25.0 214:48.0 215:1.0 216:68.0 217:1678.0 218:458.0 219:348.0 220:78.0 221:447.0 222:161.0 223:161.0 224:37.0 225:33.0 228:96.0 229:173.0 230:6.0 231:252.0 232:94.0 233:84.0 237:53.0 238:28.0 239:20.0 241:86.0 242:29.0 243:395.0 244:78.0 245:111.0 246:144.0 247:119.0 248:23.0 249:107.0 250:135.0 251:246.0 253:198.0 254:92.0 256:34.0 259:120.0 264:88.0 265:194.0 266:15.0 267:51.0 268:218.0 269:180.0 270:81.0 271:420.0 272:156.0 273:34.0 274:48.0 275:59.0 276:53.0 277:39.0 278:1.0 280:2.0 282:248.0 283:10.0 284:94.0 285:113.0 288:15.0 291:81.0 294:13.0 297:44.0 298:65.0 299:27.0 300:134.0 305:126.0 306:47.0 307:58.0 308:15.0 310:18.0 311:75.0 312:69.0 313:89.0 314:51.0 317:56.0 318:55.0 319:134.0 320:42.0 323:28.0 326:56.0 327:180.0 328:105.0 329:119.0 330:9.0 331:140.0 332:16.0 333:92.0 334:2.0 336:6.0 339:63.0 341:106.0 342:85.0 343:58.0 344:3.0 345:46.0 346:54.0 347:39.0 352:18.0 353:16.0 354:85.0 355:133.0 357:40.0 358:20.0 359:35.0 360:61.0 361:1596.0 362:842.0 363:226.0 364:109.0 365:32.0 369:14.0 370:6.0 371:17.0 374:27.0 382:4.0 383:48.0 384:36.0 385:21.0 386:26.0 388:3.0 393:17.0 397:8.0 399:7.0 401:259.0 402:31.0 403:42.0 411:16.0 415:24.0 416:111.0 426:7.0 431:37.0 446:25.0 448:12.0 449:25.0 457:12.0 459:25.0 460:57.0 461:67.0 463:63.0 466:22.0 468:1.0 470:12.0 473:2.0 474:32.0 475:39.0 476:9.0 477:44.0 481:20.0 488:66.0 489:52.0 490:54.0 491:47.0 492:5.0 189 49_lauric acid 49 547906 85:168.0 86:141.0 87:101.0 89:291.0 93:60.0 95:377.0 96:145.0 97:251.0 98:244.0 101:191.0 104:48.0 105:176.0 109:155.0 111:88.0 115:37.0 116:428.0 117:7512.0 118:665.0 119:226.0 120:42.0 122:42.0 129:2879.0 130:369.0 131:1222.0 132:1823.0 133:146.0 134:55.0 139:64.0 143:180.0 145:762.0 146:42.0 147:217.0 153:16.0 154:30.0 157:84.0 160:63.0 169:49.0 171:95.0 176:32.0 179:30.0 185:98.0 186:22.0 187:100.0 201:77.0 202:43.0 215:71.0 232:37.0 233:29.0 245:67.0 249:19.0 253:12.0 256:32.0 257:1156.0 258:137.0 269:48.0 272:35.0 273:24.0 286:16.0 350:23.0 389:23.0 393:27.0 412:26.0 417:29.0 426:21.0 436:21.0 442:29.0 444:44.0 451:21.0 457:30.0 459:32.0 461:33.0 464:14.0 473:19.0 490:25.0 495:40.0 496:35.0 187 4923_oxalic acid 4923 260513 85:642.0 86:564.0 88:852.0 89:2725.0 90:394.0 91:354.0 92:72.0 93:452.0 95:374.0 99:782.0 100:169.0 101:3135.0 102:7162.0 103:10813.0 104:1629.0 105:3087.0 106:416.0 107:839.0 108:169.0 109:471.0 110:173.0 111:137.0 113:787.0 114:94.0 115:3681.0 116:1325.0 117:6042.0 118:1002.0 119:1067.0 120:91.0 121:33.0 122:65.0 123:314.0 124:97.0 125:300.0 129:68.0 130:184.0 131:11895.0 132:2017.0 133:14362.0 134:1936.0 135:1055.0 136:250.0 137:6022.0 138:535.0 139:6282.0 140:477.0 141:375.0 146:275.0 147:223008.0 148:34909.0 149:18131.0 150:1859.0 151:357.0 152:13.0 153:79.0 154:4.0 159:65.0 163:10.0 165:77.0 167:6803.0 168:578.0 169:6792.0 170:580.0 171:173.0 174:7.0 175:4902.0 176:927.0 177:389.0 178:20.0 180:11.0 181:1.0 184:160.0 185:18.0 190:9140.0 191:1763.0 192:814.0 193:63.0 195:15.0 199:5.0 209:920.0 210:86.0 211:929.0 212:66.0 219:4986.0 220:960.0 221:355.0 222:27.0 483:4.0 217 4939_nicotinic acid 4939 353934 85:4579.0 86:223.0 88:8.0 90:142.0 98:8.0 99:693.0 100:10.0 101:9.0 105:21.0 106:2144.0 107:301.0 110:168.0 111:102.0 112:155.0 113:493.0 114:7.0 126:118.0 130:94.0 134:346.0 136:1703.0 137:192.0 138:3.0 140:51.0 155:100.0 161:16.0 169:48.0 180:2720.0 181:403.0 182:76.0 184:62.0 185:26.0 195:29.0 211:96.0 228:204.0 299:269.0 395:1.0 316 4944_parabanic acid NIST 4944 464991 86:184.0 100:2598.0 101:191.0 102:43.0 107:53.0 110:113.0 132:10.0 180:10.0 184:81.0 185:1.0 215:53.0 216:3.0 243:231.0 258:5.0 312:3.0 349:7.0 360:7.0 402:7.0 409:10.0 429:9.0 433:1.0 447:3.0 480:21.0 483:7.0 496:10.0 180 50_pelargonic acid 50 399229 85:95.0 86:236.0 88:109.0 89:242.0 90:68.0 94:18.0 95:61.0 96:43.0 98:137.0 99:208.0 101:214.0 102:71.0 105:367.0 116:364.0 117:7457.0 118:623.0 119:191.0 123:20.0 128:63.0 129:2753.0 130:235.0 131:2172.0 132:1576.0 133:343.0 143:171.0 144:20.0 145:577.0 146:129.0 149:75.0 150:22.0 157:39.0 159:78.0 171:92.0 172:28.0 187:106.0 201:79.0 215:2429.0 216:383.0 217:112.0 221:143.0 222:38.0 252:13.0 258:16.0 260:17.0 275:19.0 281:32.0 282:20.0 284:18.0 286:12.0 287:12.0 289:13.0 300:15.0 302:44.0 315:13.0 330:22.0 343:21.0 360:18.0 373:18.0 410:21.0 443:26.0 100 50366_fructose 50366 641863 86:65.0 87:79.0 88:18.0 89:2281.0 90:143.0 99:37.0 100:388.0 101:537.0 102:77.0 103:13851.0 104:1258.0 105:563.0 113:20.0 114:164.0 115:201.0 117:1833.0 118:120.0 119:138.0 122:14.0 125:109.0 128:143.0 129:782.0 130:84.0 131:499.0 133:1810.0 134:211.0 135:10.0 136:17.0 142:22.0 143:105.0 145:56.0 147:4583.0 148:705.0 149:481.0 150:25.0 151:26.0 156:27.0 157:146.0 159:19.0 163:118.0 167:3.0 171:41.0 172:378.0 173:354.0 174:56.0 175:98.0 177:82.0 181:29.0 183:2.0 186:52.0 187:17.0 188:58.0 189:581.0 190:83.0 191:354.0 192:83.0 201:192.0 204:349.0 205:530.0 206:140.0 207:147.0 214:54.0 216:28.0 217:4838.0 218:1054.0 219:246.0 220:54.0 221:79.0 222:26.0 230:27.0 231:127.0 232:22.0 233:5.0 240:7.0 242:20.0 244:75.0 246:20.0 247:10.0 249:18.0 255:25.0 256:30.0 257:13.0 260:62.0 262:11.0 264:16.0 265:2.0 266:6.0 276:28.0 277:296.0 278:135.0 279:11.0 281:19.0 288:28.0 290:36.0 291:77.0 292:22.0 293:17.0 294:4.0 300:10.0 302:20.0 303:16.0 304:17.0 305:15.0 306:102.0 307:1260.0 308:255.0 309:194.0 310:94.0 311:1.0 312:31.0 314:16.0 315:22.0 316:23.0 318:1.0 319:11.0 323:10.0 324:9.0 331:8.0 332:15.0 333:18.0 334:30.0 335:83.0 336:44.0 337:28.0 338:12.0 339:9.0 340:13.0 341:7.0 342:10.0 345:11.0 346:2.0 347:9.0 349:10.0 350:19.0 354:8.0 356:7.0 357:2.0 364:167.0 369:22.0 370:1.0 371:9.0 373:9.0 375:15.0 376:3.0 380:5.0 385:3.0 388:4.0 395:10.0 397:9.0 398:15.0 399:3.0 400:1.0 403:24.0 405:30.0 407:7.0 408:12.0 412:13.0 414:4.0 419:18.0 421:18.0 423:8.0 424:11.0 425:14.0 426:6.0 427:14.0 431:14.0 432:7.0 433:10.0 435:13.0 440:5.0 442:10.0 449:1.0 450:3.0 457:2.0 458:1.0 460:9.0 463:1.0 466:9.0 467:11.0 469:8.0 470:20.0 478:5.0 482:2.0 488:6.0 499:14.0 117 50422_capric acid 50422 452386 86:58.0 95:73.0 100:128.0 115:203.0 116:59.0 117:1692.0 118:22.0 129:683.0 130:12.0 131:212.0 132:438.0 143:65.0 145:173.0 154:11.0 168:16.0 183:18.0 185:23.0 201:16.0 229:495.0 230:98.0 243:21.0 244:16.0 338:5.0 388:4.0 421:13.0 452:4.0 478:6.0 497:4.0 307 5393_methanolphosphate 5393 289520 91:189.0 98:118.0 99:213.0 109:13.0 110:42.0 115:116.0 117:125.0 118:94.0 119:81.0 121:107.0 122:6.0 123:105.0 130:13.0 133:646.0 134:53.0 135:408.0 136:125.0 137:176.0 143:34.0 144:4.0 151:78.0 158:18.0 160:2.0 163:856.0 164:67.0 165:58.0 167:92.0 168:16.0 181:147.0 184:128.0 195:233.0 198:4.0 210:1.0 211:438.0 212:72.0 213:19.0 225:3.0 228:46.0 239:1.0 241:2338.0 242:433.0 243:249.0 244:9.0 256:169.0 257:14.0 282:5.0 301:9.0 308:8.0 313:2.0 385:2.0 396:4.0 461:16.0 91 58170_histidine 58170 664395 132:965.0 153:2576.0 154:57570.0 155:11163.0 166:1042.0 167:250.0 226:659.0 238:1978.0 239:480.0 253:84.0 254:7954.0 255:1931.0 256:779.0 257:542.0 258:37.0 266:374.0 267:124.0 299:459.0 312:23.0 328:161.0 330:104.0 355:85.0 356:618.0 357:289.0 371:225.0 372:23.0 420:9.0 435:44.0 436:68.0 134 583_pyruvic acid 583 211668 86:1271.0 87:3393.0 88:4939.0 89:36864.0 90:3575.0 91:1545.0 99:11670.0 100:9133.0 101:3760.0 102:2314.0 111:260.0 112:118.0 114:1389.0 115:16515.0 116:2607.0 117:44546.0 118:6205.0 119:2711.0 128:303.0 129:840.0 131:2446.0 133:6730.0 143:730.0 144:225.0 145:87.0 149:5066.0 150:761.0 154:28.0 157:97.0 158:2571.0 159:990.0 160:146.0 168:28.0 169:66.0 174:40280.0 175:5050.0 176:1835.0 181:83.0 182:28.0 183:36.0 185:216.0 189:703.0 190:4602.0 191:8324.0 192:1498.0 193:703.0 195:107.0 197:23.0 202:42.0 210:15.0 213:58.0 219:1694.0 220:469.0 232:35.0 236:42.0 237:32.0 238:50.0 243:29.0 245:46.0 246:32.0 253:39.0 257:38.0 278:34.0 284:30.0 285:38.0 287:51.0 316:32.0 319:42.0 324:44.0 325:44.0 326:34.0 331:12.0 332:16.0 336:45.0 343:19.0 345:11.0 346:22.0 347:29.0 349:36.0 359:15.0 362:46.0 371:52.0 372:41.0 391:38.0 398:51.0 400:32.0 401:13.0 432:35.0 443:42.0 464:67.0 485:32.0 486:47.0 490:29.0 492:41.0 154 5857_xylitol 5857 567437 85:22.0 87:53.0 88:95.0 89:312.0 94:15.0 99:38.0 101:376.0 103:3875.0 104:345.0 105:78.0 107:25.0 108:24.0 110:68.0 113:18.0 115:63.0 116:117.0 117:1418.0 118:103.0 119:73.0 129:1604.0 130:163.0 131:367.0 132:26.0 133:712.0 135:29.0 142:33.0 143:88.0 147:3295.0 148:560.0 149:319.0 155:12.0 157:214.0 159:20.0 163:58.0 169:22.0 171:40.0 175:99.0 182:58.0 189:476.0 190:74.0 191:333.0 192:19.0 193:15.0 203:146.0 204:368.0 205:1143.0 206:235.0 207:58.0 208:31.0 213:9.0 217:3381.0 218:764.0 219:285.0 220:63.0 221:24.0 222:29.0 229:15.0 230:5.0 243:159.0 244:12.0 254:42.0 273:1.0 277:63.0 278:38.0 279:15.0 284:7.0 288:7.0 290:3.0 291:26.0 295:20.0 307:483.0 308:139.0 309:50.0 310:29.0 317:31.0 318:23.0 319:361.0 320:75.0 332:39.0 340:1.0 366:24.0 418:5.0 423:1.0 424:12.0 449:5.0 456:24.0 465:15.0 467:3.0 472:7.0 499:3.0 217 5864_pyruvic acid 5864 213805 86:84.0 89:7609.0 90:671.0 91:90.0 98:6.0 99:2390.0 100:1953.0 101:104.0 110:81.0 114:306.0 115:3591.0 116:333.0 117:2148.0 118:94.0 130:355.0 136:66.0 143:134.0 144:3.0 148:23.0 158:709.0 159:180.0 160:5.0 173:5.0 174:9542.0 175:1130.0 176:403.0 184:60.0 189:139.0 191:166.0 199:33.0 208:6.0 209:2.0 210:1.0 228:22.0 247:1.0 251:9.0 296:2.0 297:1.0 318:6.0 322:9.0 425:10.0 217 6_glycine 6 368707 85:2882.0 86:87494.0 87:10917.0 88:4018.0 89:822.0 92:65.0 93:42.0 94:27.0 95:426.0 96:50.0 97:67.0 99:1489.0 100:53029.0 101:10140.0 102:5892.0 103:928.0 105:1276.0 110:146.0 113:1787.0 114:44.0 115:2820.0 116:1864.0 117:12472.0 118:47.0 119:3422.0 122:40.0 123:85.0 125:63.0 129:156.0 130:9640.0 131:7466.0 132:862.0 133:31722.0 134:5661.0 135:2633.0 144:2949.0 145:349.0 146:1208.0 147:26782.0 148:8179.0 149:5445.0 158:2433.0 159:1298.0 160:2359.0 161:551.0 162:205.0 163:69.0 171:65.0 172:1683.0 174:152336.0 175:28023.0 176:12302.0 177:361.0 178:255.0 187:150.0 188:2043.0 190:449.0 191:115.0 200:60.0 202:783.0 203:236.0 204:837.0 205:85.0 218:58.0 246:286.0 248:21677.0 249:5746.0 250:2638.0 251:499.0 253:40.0 254:32.0 258:17.0 263:51.0 267:29.0 268:34.0 276:4493.0 277:408.0 278:257.0 288:36.0 292:28.0 299:12.0 304:15.0 305:20.0 318:38.0 322:24.0 326:35.0 334:37.0 341:26.0 344:23.0 345:20.0 346:12.0 356:14.0 381:30.0 417:22.0 433:16.0 440:27.0 454:22.0 458:43.0 459:16.0 461:27.0 188 62247_lactitol 62247 959541 85:15165.0 86:3999.0 87:9771.0 88:6313.0 89:90957.0 90:7984.0 91:5304.0 92:614.0 93:862.0 94:1584.0 95:2674.0 96:1615.0 97:15793.0 98:2935.0 99:12184.0 100:25041.0 101:32274.0 102:16565.0 103:350649.0 104:34478.0 105:29796.0 106:4794.0 107:1805.0 108:900.0 109:11519.0 110:2403.0 111:9672.0 112:2642.0 113:15560.0 114:7078.0 115:12952.0 116:16047.0 117:175394.0 118:18910.0 119:17415.0 120:1844.0 121:1309.0 122:349.0 123:1058.0 124:692.0 125:2841.0 126:3313.0 127:11467.0 128:4553.0 129:196920.0 130:30323.0 131:50396.0 132:8354.0 133:103985.0 134:14024.0 135:9471.0 136:1335.0 137:788.0 138:1234.0 139:4865.0 140:2530.0 141:9059.0 142:8345.0 143:40405.0 144:6056.0 145:12866.0 146:2922.0 147:471515.0 148:75184.0 149:54704.0 150:6881.0 151:4197.0 152:2012.0 153:7011.0 154:3612.0 155:29245.0 156:7040.0 157:39439.0 158:7764.0 159:10227.0 160:66365.0 161:17357.0 162:4580.0 163:17182.0 164:2863.0 165:1924.0 166:1127.0 167:2815.0 168:3125.0 169:142746.0 170:23030.0 171:12508.0 172:5918.0 173:13036.0 174:5032.0 175:7884.0 176:1710.0 177:8679.0 178:4064.0 179:4487.0 180:2607.0 181:3144.0 182:1804.0 183:8491.0 184:1969.0 185:3434.0 186:5491.0 187:4287.0 188:2394.0 189:51721.0 190:13145.0 191:80580.0 192:15270.0 193:8099.0 194:1446.0 195:1758.0 196:3045.0 197:1946.0 198:1882.0 199:4213.0 200:2144.0 201:5840.0 202:2780.0 203:18894.0 204:400181.0 205:162259.0 206:50527.0 207:18641.0 208:3215.0 209:1309.0 210:3921.0 211:1692.0 212:909.0 213:880.0 214:2374.0 215:7428.0 216:4200.0 217:228193.0 218:53174.0 219:26785.0 220:5303.0 221:14376.0 222:3199.0 223:2358.0 224:652.0 225:611.0 226:892.0 227:4131.0 228:2913.0 229:18793.0 230:10159.0 231:23796.0 232:7905.0 233:22153.0 234:5588.0 235:8279.0 236:1715.0 237:1143.0 238:498.0 239:1091.0 240:1633.0 241:5469.0 242:3560.0 243:53324.0 244:14522.0 245:14839.0 246:5993.0 247:9551.0 248:2441.0 249:1669.0 250:599.0 251:405.0 252:546.0 253:652.0 254:832.0 255:2924.0 256:2134.0 257:5648.0 258:2150.0 259:8471.0 260:2653.0 261:2044.0 262:1835.0 263:1343.0 264:523.0 265:3181.0 266:919.0 267:750.0 268:5820.0 269:3287.0 270:3121.0 271:56113.0 272:14246.0 273:12759.0 274:5171.0 275:3698.0 276:1701.0 277:1542.0 278:1296.0 279:1174.0 280:300.0 281:312.0 282:414.0 283:916.0 284:743.0 285:873.0 286:1024.0 287:867.0 288:771.0 289:1313.0 290:726.0 291:6890.0 292:2359.0 293:1821.0 294:693.0 295:424.0 296:314.0 297:546.0 298:377.0 300:12378.0 301:3575.0 302:1872.0 303:1232.0 304:2714.0 305:10972.0 306:4078.0 307:5034.0 308:1454.0 309:842.0 310:525.0 311:396.0 312:310.0 313:588.0 314:600.0 315:576.0 316:611.0 317:4399.0 318:3604.0 319:48555.0 320:15884.0 321:8099.0 322:1941.0 323:589.0 325:223.0 326:178.0 327:393.0 328:718.0 329:542.0 330:834.0 331:13130.0 332:8298.0 333:4670.0 334:1732.0 335:1008.0 336:404.0 337:840.0 338:430.0 339:273.0 340:209.0 341:250.0 342:485.0 343:664.0 344:680.0 345:3966.0 346:2194.0 347:2087.0 348:835.0 349:673.0 350:298.0 351:208.0 352:125.0 353:140.0 354:123.0 355:140.0 356:122.0 357:399.0 358:853.0 359:1798.0 360:6392.0 361:255014.0 362:87272.0 363:43320.0 364:10605.0 365:3382.0 366:699.0 367:254.0 368:95.0 369:40.0 370:57.0 371:124.0 372:162.0 373:1924.0 374:1472.0 375:708.0 376:1620.0 377:896.0 378:527.0 379:592.0 380:248.0 381:218.0 382:89.0 383:115.0 384:128.0 385:320.0 386:342.0 387:263.0 388:270.0 389:536.0 390:5788.0 391:2341.0 392:1222.0 393:821.0 394:374.0 395:183.0 396:123.0 397:59.0 398:118.0 399:101.0 400:175.0 401:185.0 402:280.0 403:313.0 404:250.0 405:401.0 406:333.0 407:282.0 408:382.0 409:1038.0 410:484.0 411:297.0 412:169.0 413:134.0 414:85.0 415:248.0 416:152.0 417:154.0 418:156.0 419:226.0 420:225.0 421:509.0 422:380.0 423:263.0 424:121.0 425:141.0 426:128.0 427:552.0 428:355.0 429:259.0 430:134.0 431:156.0 432:260.0 433:352.0 434:316.0 435:999.0 436:573.0 437:441.0 438:216.0 439:136.0 440:82.0 441:87.0 442:95.0 443:82.0 444:80.0 445:107.0 446:125.0 447:128.0 448:401.0 449:483.0 450:1178.0 451:5184.0 452:2488.0 453:1301.0 454:543.0 455:179.0 456:126.0 457:56.0 458:67.0 459:116.0 460:141.0 461:117.0 462:226.0 463:1243.0 464:783.0 465:503.0 466:391.0 467:205.0 468:137.0 469:90.0 470:71.0 471:64.0 472:77.0 473:97.0 474:134.0 475:381.0 476:312.0 477:284.0 478:407.0 479:434.0 480:957.0 481:591.0 482:331.0 483:183.0 484:102.0 485:105.0 486:84.0 487:87.0 488:44.0 489:90.0 490:211.0 491:199.0 492:155.0 493:125.0 494:113.0 495:70.0 496:83.0 497:99.0 498:111.0 499:98.0 500:104.0 85 62271_glucose-6-phosphate 62271 820524 85:5245.0 86:2200.0 88:676.0 89:23781.0 90:2372.0 91:1874.0 94:334.0 96:567.0 97:1869.0 98:686.0 99:2954.0 100:5739.0 101:18959.0 102:4315.0 103:26912.0 104:2849.0 105:5212.0 109:693.0 111:1812.0 112:713.0 113:3107.0 114:2542.0 115:4560.0 116:9553.0 117:8170.0 119:2887.0 121:920.0 123:437.0 124:166.0 125:608.0 126:795.0 127:1825.0 128:1310.0 129:30747.0 130:8682.0 131:16390.0 132:2717.0 133:25326.0 134:3450.0 135:5531.0 139:233.0 140:513.0 141:1552.0 142:1306.0 143:3975.0 144:539.0 145:1599.0 147:50775.0 148:7872.0 149:6518.0 154:982.0 155:572.0 156:1054.0 157:13964.0 158:2234.0 159:1431.0 160:13406.0 169:2176.0 170:648.0 171:748.0 172:1610.0 173:1367.0 174:1425.0 176:535.0 177:1172.0 178:562.0 180:689.0 183:620.0 184:218.0 185:413.0 186:711.0 187:285.0 188:520.0 189:4040.0 190:1539.0 191:5764.0 195:2359.0 196:869.0 197:851.0 198:383.0 199:185.0 200:312.0 201:435.0 202:424.0 203:1447.0 204:6112.0 205:3259.0 207:4925.0 211:12502.0 212:2452.0 213:1233.0 214:624.0 215:737.0 216:681.0 217:13756.0 218:7895.0 221:1240.0 222:457.0 224:899.0 225:751.0 227:2459.0 228:1669.0 229:1502.0 230:1537.0 231:1466.0 232:692.0 233:969.0 239:51.0 240:275.0 241:460.0 242:370.0 243:2018.0 244:926.0 245:577.0 246:605.0 247:6227.0 248:1309.0 249:620.0 256:145.0 257:16.0 258:105.0 259:473.0 260:196.0 265:301.0 267:259.0 268:663.0 269:1396.0 270:540.0 271:206.0 272:145.0 273:406.0 274:626.0 275:389.0 276:90.0 277:87.0 279:900.0 280:676.0 283:1147.0 284:663.0 285:1306.0 286:1156.0 287:408.0 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500:14.0 204 65_cysteine 65 500158 86:175.0 90:83.0 91:341.0 97:81.0 98:68.0 100:3118.0 101:289.0 102:126.0 103:157.0 104:40.0 106:71.0 111:61.0 112:46.0 113:48.0 115:193.0 116:681.0 117:121.0 119:107.0 120:61.0 130:238.0 132:808.0 133:307.0 135:39.0 146:182.0 147:1274.0 149:187.0 163:84.0 172:22.0 204:108.0 217:15.0 218:2544.0 219:362.0 220:2803.0 221:383.0 222:297.0 223:28.0 231:29.0 232:38.0 262:21.0 287:23.0 301:27.0 304:25.0 312:12.0 322:14.0 325:41.0 330:18.0 336:30.0 348:15.0 365:12.0 377:21.0 394:15.0 399:20.0 404:21.0 406:19.0 409:25.0 439:20.0 449:26.0 465:33.0 480:25.0 495:26.0 499:25.0 129 6529_arachidonic acid 6529 834339 85:397.0 86:104.0 87:64.0 89:105.0 90:43.0 91:4416.0 92:1216.0 93:2782.0 94:1158.0 95:941.0 96:496.0 97:213.0 98:69.0 99:155.0 100:26.0 101:139.0 102:52.0 103:160.0 104:234.0 105:1843.0 106:1764.0 107:979.0 108:197.0 109:348.0 110:119.0 111:47.0 112:6.0 113:53.0 114:46.0 115:358.0 116:598.0 117:2905.0 118:489.0 119:1172.0 120:880.0 121:800.0 122:154.0 123:154.0 124:66.0 125:11.0 128:134.0 129:1503.0 130:371.0 131:1159.0 132:501.0 133:1103.0 134:337.0 135:386.0 136:136.0 137:43.0 139:53.0 140:38.0 141:160.0 142:156.0 143:220.0 144:187.0 145:645.0 146:235.0 147:136.0 148:78.0 149:122.0 150:537.0 151:70.0 153:4.0 154:17.0 155:92.0 157:326.0 158:257.0 159:257.0 160:128.0 161:262.0 162:153.0 163:36.0 164:85.0 165:8.0 166:10.0 167:13.0 168:43.0 169:161.0 170:19.0 171:260.0 172:15.0 173:185.0 174:60.0 175:293.0 176:125.0 177:106.0 178:22.0 181:24.0 182:17.0 183:114.0 185:58.0 187:150.0 188:68.0 189:78.0 190:56.0 193:1.0 196:9.0 197:63.0 201:121.0 203:100.0 204:39.0 207:15.0 211:42.0 215:50.0 216:30.0 217:21.0 222:18.0 238:56.0 239:20.0 240:7.0 258:121.0 259:43.0 272:29.0 278:3.0 279:3.0 281:1.0 305:18.0 308:15.0 315:5.0 322:6.0 326:13.0 327:3.0 330:1.0 346:1.0 359:2.0 367:1.0 401:4.0 467:7.0 220 66_pyruvic acid 66 211003 85:630.0 86:204.0 89:7216.0 90:673.0 91:371.0 92:530.0 93:30031.0 94:2061.0 95:11219.0 96:1648.0 97:859.0 98:280.0 99:3052.0 100:1713.0 101:1946.0 103:6049.0 104:661.0 105:194.0 108:69.0 109:190.0 113:98.0 114:299.0 115:3337.0 116:419.0 120:34.0 121:249.0 122:97.0 123:32537.0 124:2424.0 125:11002.0 126:932.0 140:64.0 141:56.0 145:163.0 158:558.0 159:315.0 161:150.0 163:309.0 164:86.0 165:1647.0 166:224.0 167:559.0 168:98.0 170:51.0 172:72.0 174:7353.0 175:1155.0 176:404.0 177:562.0 178:115.0 179:139.0 180:57.0 184:368.0 189:584.0 193:509.0 194:71.0 201:43.0 203:98.0 205:97.0 207:14587.0 208:2776.0 209:1598.0 210:246.0 211:13.0 221:104.0 222:29.0 223:23.0 230:36.0 240:34.0 242:30.0 247:211.0 248:91.0 249:72.0 251:41.0 256:33.0 263:119.0 265:88.0 279:220.0 280:108.0 281:85.0 282:22.0 294:32.0 295:1193.0 296:416.0 297:243.0 311:34.0 349:54.0 395:23.0 412:47.0 416:31.0 435:33.0 439:45.0 440:12.0 447:29.0 465:48.0 471:18.0 475:30.0 477:28.0 480:22.0 484:61.0 496:50.0 498:29.0 173 66319_cytidine 66319 937026 85:1759.0 86:932.0 87:1021.0 89:3267.0 90:117.0 92:6.0 93:1004.0 94:596.0 95:2486.0 96:619.0 97:1945.0 98:9008.0 99:5844.0 100:21793.0 101:6282.0 102:2093.0 103:13696.0 104:1925.0 105:554.0 106:264.0 107:1459.0 109:446.0 110:462.0 111:1632.0 112:498.0 113:2830.0 114:1683.0 115:2838.0 117:4384.0 118:572.0 119:678.0 120:386.0 121:112.0 122:1730.0 123:911.0 124:960.0 125:4609.0 126:1121.0 127:1346.0 129:9759.0 130:2416.0 131:4164.0 132:547.0 133:8168.0 134:1353.0 135:2354.0 136:1177.0 139:1266.0 140:3266.0 141:2652.0 142:187.0 143:6347.0 144:146.0 145:1557.0 146:278.0 147:31705.0 148:5131.0 149:5119.0 150:1387.0 151:328.0 152:3580.0 153:2649.0 155:3370.0 157:3076.0 158:1186.0 159:1138.0 160:39.0 163:104.0 165:120.0 166:2473.0 167:8853.0 168:24377.0 169:16669.0 170:6490.0 171:4390.0 172:871.0 173:369.0 174:5437.0 179:1263.0 180:452.0 182:4913.0 183:1827.0 184:18089.0 185:6263.0 186:1181.0 189:805.0 190:322.0 191:791.0 193:109.0 194:732.0 195:12624.0 196:6170.0 197:1665.0 198:373.0 199:186.0 200:58.0 201:137.0 203:474.0 207:270.0 208:1101.0 210:675.0 211:448.0 212:1016.0 214:49.0 215:2714.0 216:794.0 217:36462.0 218:8963.0 219:5014.0 220:1134.0 223:57295.0 224:21793.0 225:5289.0 226:1550.0 227:330.0 230:3842.0 231:781.0 235:106.0 238:489.0 239:502.0 240:11808.0 241:5329.0 242:1737.0 243:14797.0 244:3443.0 245:29705.0 246:6304.0 247:2916.0 248:110.0 250:44.0 252:98.0 254:3592.0 255:1977.0 256:12261.0 257:6262.0 258:6522.0 259:2331.0 260:827.0 261:123.0 262:263.0 266:192.0 267:47.0 274:10.0 276:173.0 282:527.0 284:2577.0 285:2529.0 286:1360.0 287:231.0 291:95.0 296:119.0 298:579.0 299:660.0 309:1075.0 310:1157.0 311:128.0 312:748.0 313:3256.0 314:3122.0 315:1145.0 316:222.0 321:51.0 326:102.0 333:597.0 334:273.0 338:171.0 339:34.0 348:2986.0 349:821.0 350:514.0 351:318.0 352:229.0 353:218.0 366:99.0 370:223.0 371:66.0 380:42.0 381:42.0 385:252.0 386:182.0 387:85.0 404:19.0 409:85.0 410:51.0 423:122.0 429:63.0 442:128.0 446:22.0 476:31.0 477:19.0 478:5.0 493:12.0 500:35.0 174 68093_inosine-5'-monophosphate 68093 1018687 85:10383.0 86:6364.0 87:5135.0 88:1333.0 89:6271.0 90:1111.0 91:1906.0 92:942.0 93:945.0 94:1538.0 95:6395.0 96:1562.0 97:12063.0 98:4874.0 99:11310.0 100:9587.0 101:19978.0 102:4968.0 103:12589.0 104:2216.0 105:4390.0 106:1739.0 107:2589.0 108:947.0 109:2921.0 110:6302.0 111:13617.0 112:4662.0 113:16788.0 114:3759.0 115:17631.0 116:12035.0 117:9938.0 118:2232.0 119:6302.0 120:2664.0 121:4316.0 122:955.0 123:3194.0 124:2288.0 125:8605.0 126:3957.0 127:10550.0 128:2051.0 129:51843.0 130:7174.0 131:17172.0 132:3501.0 133:54410.0 134:9786.0 135:15354.0 136:2134.0 137:6346.0 138:5649.0 139:6168.0 140:19912.0 141:15154.0 142:14711.0 143:22143.0 144:5424.0 145:4690.0 146:2105.0 147:108384.0 148:19709.0 149:17347.0 150:3864.0 151:7259.0 152:1718.0 153:9347.0 154:2124.0 155:3560.0 157:4114.0 158:3241.0 159:1160.0 160:1385.0 161:1133.0 162:396.0 163:2848.0 164:2694.0 165:5239.0 166:7544.0 167:8822.0 168:5535.0 169:279076.0 170:42641.0 171:30354.0 172:4979.0 173:2390.0 174:11634.0 175:3599.0 176:1688.0 177:3825.0 178:2035.0 179:18531.0 180:4885.0 181:11328.0 182:2713.0 183:5306.0 184:5285.0 185:3542.0 186:3306.0 187:819.0 188:1301.0 189:2558.0 190:903.0 191:5266.0 192:2320.0 193:44493.0 194:33851.0 195:13999.0 196:2886.0 197:3516.0 198:1191.0 199:859.0 200:539.0 201:883.0 202:742.0 203:521.0 204:2191.0 205:3394.0 206:3993.0 207:17738.0 208:11879.0 209:25788.0 210:20065.0 211:59012.0 212:10417.0 213:6323.0 214:1035.0 215:15763.0 216:4121.0 217:16838.0 218:4251.0 219:3008.0 220:985.0 222:1961.0 223:1117.0 224:946.0 225:13209.0 226:2775.0 227:15888.0 228:3071.0 229:3253.0 230:84561.0 231:20111.0 232:8386.0 233:2288.0 234:1289.0 235:1773.0 236:1682.0 237:5161.0 238:4476.0 239:1428.0 240:1380.0 241:2180.0 242:348.0 243:45016.0 244:11015.0 245:6037.0 246:1450.0 247:1464.0 248:1272.0 249:925.0 250:1211.0 251:1038.0 252:554.0 253:3015.0 254:1102.0 255:897.0 256:513.0 257:4754.0 258:56383.0 259:17163.0 260:7017.0 261:1561.0 262:714.0 263:1034.0 264:709.0 265:4312.0 266:4873.0 267:2234.0 268:744.0 269:1628.0 270:610.0 271:719.0 272:375.0 274:440.0 275:240.0 276:306.0 277:503.0 278:240.0 279:3218.0 280:5029.0 281:18295.0 282:16081.0 283:7607.0 284:2765.0 285:5260.0 286:1142.0 287:1668.0 288:1290.0 289:793.0 290:205.0 291:509.0 292:586.0 293:732.0 294:510.0 295:199.0 296:171.0 297:839.0 298:1965.0 299:59798.0 300:17480.0 301:10032.0 302:2335.0 303:678.0 304:803.0 305:728.0 306:363.0 307:4879.0 308:5280.0 309:2298.0 310:1721.0 311:1037.0 312:228.0 313:1876.0 314:3824.0 315:159309.0 316:42828.0 317:22620.0 318:4479.0 319:1395.0 320:419.0 321:1046.0 322:1937.0 323:4122.0 324:3209.0 325:766.0 326:156.0 327:274.0 328:1965.0 329:711.0 330:252.0 332:66.0 333:8.0 334:295.0 335:1639.0 336:1679.0 337:944.0 338:2892.0 339:4772.0 340:2716.0 341:1415.0 342:483.0 343:821.0 344:140.0 345:212.0 346:8.0 347:335.0 348:573.0 349:584.0 350:307.0 351:240.0 353:177.0 354:136.0 357:337.0 358:15.0 359:351.0 360:99.0 362:117.0 363:590.0 364:536.0 365:361.0 366:264.0 367:339.0 368:327.0 369:1993.0 370:1223.0 371:2516.0 372:791.0 373:1328.0 374:338.0 375:1057.0 376:1892.0 377:6598.0 378:5795.0 379:3645.0 380:1725.0 381:1248.0 382:11814.0 383:5424.0 384:2429.0 385:927.0 386:639.0 387:5099.0 388:2039.0 389:1541.0 390:430.0 391:270.0 392:101.0 393:444.0 394:624.0 395:989.0 396:751.0 397:446.0 402:45.0 403:75.0 409:194.0 410:1186.0 411:2289.0 412:976.0 413:479.0 414:259.0 417:69.0 418:232.0 419:170.0 420:46.0 421:161.0 422:47.0 423:371.0 424:604.0 425:539.0 432:103.0 433:224.0 434:123.0 435:203.0 436:182.0 437:43.0 438:228.0 439:15.0 440:83.0 442:24.0 443:377.0 444:191.0 445:6.0 446:71.0 448:73.0 450:119.0 451:191.0 452:214.0 453:646.0 454:659.0 455:450.0 456:164.0 457:127.0 458:158.0 459:76.0 460:55.0 462:30.0 465:135.0 466:488.0 467:789.0 468:1012.0 469:511.0 470:187.0 471:58.0 472:56.0 473:17.0 480:50.0 481:21.0 482:60.0 483:33.0 484:84.0 485:413.0 486:147.0 490:41.0 491:23.0 492:111.0 493:76.0 495:50.0 496:40.0 497:56.0 498:74.0 499:132.0 500:828.0 192 68104_phenylacetamide 68104 458201 87:2554.0 88:7006.0 89:68276.0 90:58567.0 91:236245.0 92:522026.0 93:169102.0 94:11667.0 96:6497.0 100:12339.0 104:3299.0 105:15425.0 106:2591.0 107:897.0 108:336.0 116:143153.0 117:107036.0 118:26958.0 119:5493.0 120:1513.0 121:2479.0 122:263.0 133:2644.0 134:895.0 138:289.0 146:4375.0 150:1056.0 157:6727.0 159:1765.0 160:8967.0 161:3507.0 162:1655.0 167:810.0 174:4325.0 175:6823.0 176:2730.0 178:500.0 179:166.0 180:390.0 189:4693.0 190:2911.0 191:1901.0 192:53947.0 193:28446.0 194:5429.0 201:6520.0 202:2045.0 207:1996.0 208:697.0 228:342.0 230:4408.0 231:865.0 235:218.0 245:1147.0 246:602.0 248:1023.0 260:310.0 261:98.0 263:295.0 264:1108.0 265:338.0 266:91.0 276:341.0 287:371.0 288:546.0 289:271.0 292:535.0 302:109.0 303:108.0 312:44.0 317:53.0 318:186.0 319:155.0 328:32.0 331:12.0 332:65.0 337:9.0 338:5.0 341:67.0 343:32.0 344:14.0 346:5.0 352:6.0 357:4.0 360:10.0 367:92.0 368:49.0 369:46.0 373:19.0 374:6.0 377:5.0 388:9.0 398:20.0 400:8.0 402:24.0 404:19.0 405:11.0 410:16.0 411:10.0 412:17.0 413:16.0 414:18.0 418:24.0 420:17.0 426:8.0 437:21.0 444:8.0 447:8.0 448:5.0 457:12.0 461:7.0 462:21.0 463:19.0 470:3.0 471:20.0 472:6.0 473:17.0 479:19.0 480:10.0 482:19.0 483:14.0 484:13.0 485:9.0 487:5.0 488:21.0 489:20.0 490:18.0 494:15.0 495:17.0 496:4.0 497:15.0 498:15.0 169 6866_caprylic acid 6866 343457 85:59.0 86:798.0 87:223.0 88:510.0 89:1377.0 90:189.0 95:33.0 97:16.0 98:32.0 99:40.0 100:399.0 101:2158.0 102:361.0 103:5236.0 104:718.0 105:608.0 106:42.0 109:166.0 110:56.0 113:210.0 114:71.0 115:93.0 116:330.0 117:11722.0 118:1237.0 119:890.0 120:77.0 126:65.0 129:2848.0 130:455.0 131:1940.0 132:1583.0 133:4028.0 134:684.0 135:115.0 140:1.0 142:10.0 143:100.0 145:423.0 146:62.0 147:4390.0 148:1733.0 149:996.0 150:204.0 155:2.0 156:2.0 157:95.0 159:256.0 161:22.0 163:118.0 164:33.0 168:151.0 173:69.0 174:1128.0 175:777.0 176:295.0 177:209.0 187:36.0 188:13.0 192:30.0 199:2.0 200:2.0 201:2573.0 202:416.0 203:338.0 204:445.0 205:2222.0 206:569.0 208:12.0 217:91.0 219:177.0 220:137.0 221:172.0 224:2.0 229:5.0 232:10.0 233:3.0 234:21.0 238:6.0 239:7.0 240:1.0 241:2.0 252:2.0 253:2.0 254:10.0 256:5.0 257:3.0 258:1.0 260:3.0 261:1.0 262:6.0 264:8.0 266:19.0 270:2.0 271:3.0 272:1.0 273:1.0 274:4.0 279:49.0 280:17.0 282:1.0 287:29.0 289:14.0 290:8.0 292:1.0 293:101.0 294:11.0 295:32.0 304:4.0 307:3.0 308:4.0 309:4.0 310:26.0 311:1.0 313:2.0 318:2.0 324:3.0 325:17.0 326:89.0 327:10.0 329:25.0 330:11.0 339:6.0 340:7.0 341:27.0 342:16.0 343:39.0 344:16.0 345:8.0 346:23.0 356:25.0 357:14.0 358:30.0 359:44.0 360:52.0 361:7.0 363:27.0 364:34.0 376:21.0 377:11.0 378:17.0 379:17.0 380:10.0 388:2.0 390:6.0 391:27.0 392:11.0 394:25.0 396:2.0 407:9.0 408:21.0 409:13.0 410:8.0 413:9.0 419:6.0 421:15.0 422:19.0 425:32.0 426:42.0 428:14.0 432:10.0 433:5.0 437:1.0 441:11.0 443:7.0 446:39.0 455:7.0 459:8.0 462:17.0 472:11.0 473:9.0 477:11.0 478:39.0 479:15.0 481:5.0 483:4.0 486:6.0 494:13.0 498:6.0 92 69_indole-3-acetate 69 684929 85:142.0 87:38.0 89:42.0 91:40.0 100:21.0 101:105.0 102:208.0 105:43.0 115:43.0 116:34.0 119:53.0 121:26.0 128:130.0 129:377.0 130:199.0 131:197.0 133:47.0 145:101.0 148:147.0 157:44.0 160:50.0 161:30.0 167:14.0 169:17.0 170:37.0 172:34.0 174:29.0 184:57.0 186:179.0 187:57.0 200:136.0 201:41.0 202:3519.0 203:606.0 204:162.0 217:45.0 226:14.0 228:28.0 276:55.0 319:239.0 320:67.0 321:16.0 330:17.0 331:20.0 335:20.0 356:23.0 376:13.0 475:14.0 201 70_mannose 70 645856 85:142.0 89:1499.0 90:197.0 97:127.0 100:159.0 101:419.0 103:3780.0 104:287.0 105:648.0 112:23.0 113:305.0 114:520.0 115:388.0 116:86.0 117:2228.0 118:207.0 119:568.0 124:18.0 125:22.0 129:3108.0 131:511.0 133:1928.0 134:567.0 135:210.0 141:65.0 143:275.0 144:234.0 147:7354.0 150:205.0 152:14.0 157:1447.0 158:309.0 159:104.0 160:3213.0 161:172.0 162:117.0 163:130.0 164:22.0 167:7.0 169:89.0 170:14.0 173:88.0 175:60.0 177:42.0 182:15.0 184:29.0 186:52.0 187:26.0 189:515.0 190:188.0 191:219.0 192:43.0 196:14.0 201:144.0 202:39.0 203:32.0 205:3704.0 206:597.0 207:409.0 209:33.0 211:114.0 214:12.0 215:50.0 216:172.0 217:1691.0 218:443.0 219:113.0 220:43.0 221:176.0 222:41.0 223:24.0 226:16.0 228:22.0 229:373.0 230:9.0 232:50.0 234:78.0 235:30.0 241:19.0 242:23.0 244:89.0 248:25.0 254:20.0 257:21.0 259:30.0 260:22.0 262:50.0 271:51.0 291:138.0 292:49.0 305:37.0 306:15.0 307:39.0 318:47.0 319:1902.0 320:541.0 322:17.0 372:13.0 476:16.0 202 7010_hydroxycarbamate NIST 7010 325948 86:1090.0 87:384.0 89:78.0 99:251.0 102:276.0 107:178.0 108:1.0 110:207.0 119:381.0 127:1.0 131:531.0 132:298.0 133:1122.0 135:10.0 143:27.0 146:671.0 147:8487.0 148:1209.0 149:624.0 155:128.0 157:23.0 160:1255.0 161:198.0 162:131.0 163:12.0 169:38.0 171:2468.0 172:143.0 173:288.0 186:141.0 189:1974.0 190:204.0 193:109.0 194:27.0 205:140.0 206:5.0 207:302.0 208:56.0 209:7.0 221:55.0 261:10.0 267:55.0 278:1598.0 279:432.0 280:178.0 281:41.0 341:33.0 355:42.0 481:1.0 205 72408_tocopherol alpha- 72408 1066526 90:27.0 92:61.0 94:13.0 95:202.0 97:63.0 98:7.0 100:8.0 102:11.0 105:100.0 106:8.0 107:81.0 109:83.0 110:13.0 115:126.0 116:36.0 117:56.0 119:239.0 121:60.0 123:23.0 124:17.0 129:110.0 130:20.0 131:100.0 133:28.0 134:20.0 135:16.0 136:70.0 137:19.0 138:6.0 140:7.0 143:39.0 144:13.0 145:77.0 149:98.0 150:21.0 151:15.0 157:16.0 161:50.0 162:24.0 163:79.0 164:58.0 166:25.0 170:8.0 173:39.0 177:10.0 178:40.0 180:31.0 186:12.0 189:41.0 191:139.0 193:110.0 198:15.0 199:10.0 201:18.0 203:74.0 204:34.0 205:109.0 206:41.0 207:366.0 208:149.0 209:103.0 210:21.0 212:16.0 215:7.0 216:3.0 217:15.0 219:73.0 223:130.0 224:86.0 225:45.0 226:13.0 228:1.0 229:15.0 230:28.0 231:39.0 232:44.0 235:128.0 236:1613.0 237:3353.0 238:610.0 239:122.0 240:12.0 245:12.0 246:32.0 247:53.0 248:35.0 249:51.0 250:12.0 251:17.0 254:10.0 257:14.0 261:62.0 262:31.0 263:52.0 264:9.0 265:5.0 266:5.0 275:51.0 276:37.0 277:147.0 280:8.0 285:6.0 288:8.0 290:14.0 291:16.0 295:4.0 319:25.0 320:6.0 326:12.0 327:15.0 328:6.0 332:14.0 334:2.0 336:13.0 337:9.0 338:10.0 339:18.0 343:27.0 348:9.0 350:14.0 351:12.0 355:18.0 357:5.0 358:9.0 360:28.0 361:23.0 363:4.0 364:24.0 365:21.0 366:12.0 367:7.0 370:22.0 373:21.0 374:18.0 379:12.0 380:4.0 381:4.0 383:11.0 385:15.0 386:13.0 388:16.0 391:23.0 395:10.0 396:20.0 397:11.0 398:5.0 399:24.0 402:34.0 403:13.0 404:15.0 405:16.0 406:4.0 408:5.0 410:14.0 411:9.0 412:16.0 415:25.0 416:11.0 417:10.0 428:3.0 434:6.0 437:3.0 438:8.0 444:6.0 446:15.0 451:20.0 457:10.0 458:5.0 463:3.0 465:3.0 467:12.0 468:2.0 470:13.0 471:4.0 475:2.0 479:1.0 480:7.0 484:14.0 485:9.0 486:15.0 487:9.0 492:17.0 493:5.0 494:12.0 495:7.0 497:11.0 498:8.0 500:26.0 217 726_capric acid 726 451790 85:361.0 86:211.0 87:97.0 88:188.0 89:198.0 91:72.0 92:53.0 93:28.0 95:596.0 97:211.0 98:268.0 99:154.0 100:272.0 101:339.0 102:103.0 105:195.0 107:56.0 108:74.0 109:24.0 111:141.0 112:93.0 115:176.0 116:533.0 117:8029.0 118:528.0 119:291.0 122:50.0 123:33.0 125:55.0 126:57.0 129:3117.0 130:404.0 131:2042.0 132:1733.0 133:413.0 134:170.0 136:42.0 138:29.0 139:27.0 143:208.0 145:657.0 150:34.0 152:47.0 153:55.0 155:102.0 156:55.0 157:88.0 158:44.0 159:184.0 160:26.0 165:63.0 166:33.0 167:65.0 169:51.0 171:44.0 173:80.0 184:71.0 185:175.0 187:96.0 188:44.0 190:51.0 193:19.0 194:19.0 195:27.0 196:22.0 197:28.0 199:49.0 200:32.0 201:187.0 202:121.0 203:33.0 205:44.0 210:27.0 212:23.0 214:56.0 215:48.0 217:38.0 218:39.0 219:23.0 220:35.0 222:66.0 223:31.0 224:47.0 227:21.0 228:95.0 229:1694.0 230:344.0 231:48.0 234:22.0 235:49.0 238:19.0 239:38.0 242:30.0 244:74.0 248:24.0 249:32.0 251:16.0 259:43.0 261:21.0 262:83.0 264:21.0 265:71.0 266:63.0 268:31.0 271:28.0 273:39.0 275:29.0 276:20.0 277:33.0 278:15.0 279:21.0 280:23.0 283:27.0 284:37.0 285:44.0 286:20.0 287:48.0 288:44.0 290:48.0 291:54.0 292:24.0 294:19.0 296:30.0 297:40.0 298:43.0 299:56.0 300:50.0 301:21.0 302:32.0 304:9.0 305:13.0 306:63.0 307:48.0 308:35.0 309:16.0 310:21.0 311:47.0 312:37.0 313:32.0 315:25.0 316:23.0 317:19.0 319:28.0 320:39.0 321:30.0 322:38.0 323:28.0 324:40.0 325:25.0 326:17.0 327:34.0 328:41.0 329:42.0 330:49.0 331:36.0 334:54.0 335:44.0 337:55.0 338:18.0 339:42.0 340:42.0 341:27.0 342:40.0 343:38.0 344:10.0 346:50.0 347:17.0 348:48.0 350:37.0 351:30.0 352:52.0 353:25.0 354:60.0 357:37.0 358:12.0 361:11.0 363:44.0 367:48.0 368:36.0 369:42.0 373:41.0 378:34.0 379:30.0 380:18.0 382:46.0 384:60.0 386:28.0 387:43.0 388:36.0 389:12.0 390:36.0 391:21.0 393:42.0 395:25.0 396:33.0 397:47.0 398:43.0 399:18.0 400:35.0 401:34.0 404:63.0 405:29.0 406:56.0 408:35.0 409:46.0 412:11.0 413:26.0 414:46.0 415:46.0 416:16.0 417:56.0 418:13.0 419:56.0 420:38.0 421:36.0 422:44.0 423:14.0 424:34.0 427:51.0 428:30.0 429:19.0 430:40.0 431:26.0 432:18.0 433:52.0 434:43.0 438:47.0 439:18.0 440:55.0 441:31.0 442:38.0 444:29.0 445:50.0 447:38.0 453:23.0 455:18.0 456:37.0 457:37.0 458:16.0 460:24.0 462:22.0 466:27.0 470:25.0 471:40.0 473:28.0 474:22.0 475:24.0 476:16.0 478:42.0 480:28.0 482:22.0 487:36.0 490:40.0 493:32.0 495:19.0 497:31.0 498:16.0 500:40.0 237 727_heptadecanoic acid 727 751309 86:84.0 89:126.0 93:146.0 95:297.0 97:364.0 98:171.0 99:152.0 101:71.0 105:120.0 107:47.0 109:65.0 111:142.0 112:68.0 113:69.0 116:319.0 117:6884.0 118:515.0 119:190.0 123:26.0 125:38.0 129:2928.0 130:357.0 131:779.0 132:2003.0 133:510.0 134:126.0 141:18.0 143:248.0 145:1080.0 146:130.0 149:39.0 152:19.0 153:14.0 159:91.0 163:18.0 171:63.0 174:86.0 177:28.0 182:19.0 187:82.0 189:15.0 197:18.0 201:212.0 202:62.0 213:28.0 215:30.0 227:23.0 241:13.0 242:13.0 243:71.0 257:25.0 283:45.0 284:36.0 285:41.0 288:28.0 297:17.0 300:19.0 301:23.0 302:33.0 308:19.0 314:23.0 315:28.0 316:27.0 317:23.0 320:12.0 326:58.0 327:578.0 328:196.0 329:37.0 330:26.0 332:12.0 333:13.0 334:18.0 338:25.0 342:81.0 345:34.0 349:14.0 350:20.0 353:12.0 354:22.0 357:18.0 362:14.0 368:31.0 386:16.0 391:13.0 407:14.0 441:17.0 450:14.0 452:17.0 453:22.0 454:29.0 457:18.0 460:24.0 465:21.0 469:16.0 471:13.0 473:24.0 474:19.0 477:22.0 478:24.0 479:26.0 483:21.0 486:27.0 488:15.0 490:22.0 494:18.0 495:24.0 497:23.0 499:17.0 500:16.0 229 7362_ribitol 7362 575497 85:248.0 86:43.0 87:65.0 88:62.0 89:897.0 90:98.0 92:20.0 95:22.0 99:113.0 100:224.0 101:774.0 102:28.0 103:6316.0 104:624.0 105:415.0 107:35.0 109:433.0 110:374.0 111:71.0 112:1.0 113:273.0 114:80.0 115:19.0 116:274.0 117:7478.0 118:701.0 119:297.0 126:2.0 128:44.0 129:3713.0 130:874.0 131:1633.0 132:149.0 133:1838.0 134:180.0 135:129.0 136:1.0 140:1.0 142:152.0 143:478.0 145:98.0 146:11.0 147:7935.0 148:1218.0 149:625.0 154:14.0 155:280.0 156:23.0 157:910.0 158:67.0 159:46.0 160:682.0 161:214.0 163:96.0 168:28.0 170:214.0 171:249.0 172:78.0 175:33.0 177:60.0 184:254.0 186:170.0 187:30.0 188:1.0 189:1390.0 190:239.0 191:807.0 192:173.0 199:50.0 201:192.0 203:352.0 204:1100.0 205:2227.0 206:389.0 207:148.0 211:6.0 216:1.0 217:5564.0 218:1297.0 219:501.0 220:120.0 221:136.0 223:16.0 224:117.0 228:1.0 229:104.0 230:12.0 231:45.0 233:16.0 234:26.0 239:7.0 243:251.0 244:59.0 245:4.0 246:1.0 251:165.0 277:387.0 278:34.0 279:2.0 297:7.0 299:30.0 302:17.0 305:61.0 307:471.0 308:88.0 309:19.0 317:81.0 319:760.0 320:194.0 321:144.0 322:1.0 332:138.0 349:39.0 117 7501_gluconic acid 7501 693148 87:39.0 89:155.0 99:15.0 100:306.0 101:268.0 102:393.0 103:2729.0 104:264.0 105:196.0 109:2.0 111:2.0 113:144.0 116:8.0 117:1117.0 118:12.0 127:30.0 129:1186.0 130:285.0 131:546.0 132:183.0 133:997.0 134:13.0 137:1.0 139:7.0 140:38.0 141:4.0 142:28.0 143:746.0 144:263.0 145:25.0 147:6161.0 148:1144.0 149:642.0 150:39.0 151:46.0 153:74.0 154:66.0 155:3.0 157:599.0 159:89.0 160:27.0 161:88.0 164:14.0 166:16.0 168:50.0 169:102.0 170:4.0 171:328.0 172:130.0 175:132.0 177:22.0 178:40.0 182:6.0 185:1.0 188:12.0 189:815.0 190:148.0 191:208.0 193:71.0 197:104.0 198:5.0 199:1.0 201:22.0 203:114.0 204:678.0 205:1272.0 206:309.0 207:153.0 215:154.0 216:154.0 217:1887.0 218:850.0 219:423.0 220:71.0 221:320.0 222:33.0 223:25.0 229:303.0 230:25.0 231:111.0 232:35.0 233:19.0 237:35.0 239:19.0 241:5.0 243:104.0 245:193.0 246:73.0 247:73.0 248:14.0 249:29.0 255:37.0 257:64.0 258:26.0 259:98.0 260:22.0 261:78.0 263:68.0 265:70.0 266:34.0 267:19.0 268:3.0 269:65.0 270:10.0 272:22.0 273:46.0 274:12.0 276:11.0 277:318.0 278:173.0 279:93.0 280:26.0 281:20.0 283:7.0 284:49.0 288:4.0 289:16.0 290:3.0 291:100.0 292:1494.0 293:519.0 294:243.0 295:26.0 296:7.0 301:14.0 303:27.0 304:17.0 305:815.0 306:266.0 307:361.0 308:64.0 311:12.0 314:7.0 315:22.0 316:15.0 317:16.0 318:18.0 319:562.0 320:339.0 321:186.0 322:55.0 323:11.0 324:38.0 329:25.0 331:215.0 332:100.0 333:1763.0 334:520.0 335:265.0 336:75.0 337:8.0 340:12.0 343:10.0 344:4.0 345:101.0 346:36.0 347:50.0 348:10.0 351:12.0 359:285.0 360:69.0 361:70.0 364:15.0 365:10.0 366:1.0 369:2.0 370:9.0 372:17.0 379:34.0 380:3.0 381:48.0 388:24.0 389:10.0 391:5.0 392:24.0 393:48.0 394:44.0 395:9.0 397:7.0 401:30.0 405:52.0 406:7.0 408:48.0 410:4.0 412:2.0 413:5.0 414:6.0 417:5.0 419:12.0 422:34.0 423:221.0 424:45.0 425:30.0 427:8.0 432:11.0 433:162.0 434:47.0 435:128.0 436:34.0 437:42.0 438:27.0 440:3.0 443:2.0 444:20.0 445:24.0 446:8.0 449:1.0 451:28.0 452:10.0 453:10.0 454:10.0 455:49.0 464:13.0 476:2.0 478:10.0 479:4.0 480:10.0 482:20.0 160 7508_1-monoolein 7508 952623 85:574.0 86:56.0 87:709.0 88:73.0 89:747.0 90:78.0 91:856.0 92:154.0 93:1294.0 94:580.0 95:2736.0 96:562.0 97:1409.0 98:812.0 99:402.0 100:65.0 101:4011.0 102:484.0 103:7050.0 104:595.0 105:742.0 106:156.0 107:791.0 108:155.0 109:1114.0 110:270.0 111:672.0 112:115.0 113:214.0 114:24.0 115:456.0 116:1288.0 117:2529.0 118:273.0 119:379.0 120:122.0 121:917.0 122:237.0 123:624.0 124:165.0 125:190.0 127:105.0 128:15.0 129:10793.0 130:1722.0 131:2720.0 132:784.0 133:2163.0 134:261.0 135:824.0 136:158.0 137:284.0 138:34.0 139:78.0 140:2.0 141:18.0 142:156.0 143:199.0 144:19.0 145:681.0 146:562.0 147:7007.0 148:1077.0 149:1116.0 150:262.0 151:249.0 152:108.0 153:87.0 156:61.0 157:106.0 158:28.0 159:173.0 160:98.0 161:233.0 162:63.0 163:367.0 164:112.0 165:149.0 166:28.0 169:41.0 171:120.0 172:27.0 173:170.0 174:161.0 175:336.0 176:52.0 177:89.0 178:31.0 179:93.0 180:10.0 181:3.0 183:15.0 184:1.0 185:19.0 186:42.0 187:207.0 188:242.0 189:208.0 190:42.0 191:97.0 193:66.0 194:18.0 199:32.0 200:49.0 201:1328.0 202:207.0 203:2252.0 204:921.0 205:1105.0 206:237.0 207:206.0 208:60.0 209:24.0 213:17.0 215:234.0 216:23.0 217:264.0 218:232.0 219:379.0 220:133.0 221:116.0 223:11.0 227:21.0 228:8.0 229:36.0 230:42.0 235:14.0 237:158.0 241:8.0 242:13.0 243:91.0 244:100.0 245:48.0 246:64.0 247:33.0 248:26.0 249:17.0 250:9.0 252:6.0 255:71.0 257:448.0 258:120.0 259:27.0 261:4.0 262:146.0 263:59.0 264:57.0 265:373.0 266:56.0 267:57.0 271:48.0 272:13.0 273:18.0 283:20.0 285:25.0 286:22.0 287:33.0 288:24.0 289:3.0 292:3.0 293:3.0 297:8.0 298:4.0 299:13.0 300:38.0 303:2.0 305:138.0 306:15.0 307:95.0 308:54.0 310:25.0 311:27.0 313:60.0 314:82.0 315:24.0 319:59.0 320:9.0 321:5.0 322:1.0 325:7.0 328:34.0 329:4.0 335:7.0 337:26.0 339:103.0 340:22.0 341:95.0 345:5.0 346:2.0 347:30.0 355:51.0 357:1.0 359:20.0 363:9.0 366:12.0 368:18.0 373:3.0 375:2.0 382:24.0 384:7.0 387:9.0 395:186.0 396:101.0 397:795.0 398:323.0 399:91.0 400:13.0 401:7.0 403:5.0 408:108.0 409:66.0 410:106.0 411:37.0 429:8.0 443:2.0 455:1.0 461:16.0 464:6.0 472:2.0 475:54.0 478:4.0 479:1.0 483:40.0 484:35.0 485:87.0 486:52.0 487:55.0 489:6.0 333 7831_UDP-glucuronic acid 7831 587601 87:154.0 89:34.0 96:10.0 97:71.0 98:2.0 99:102.0 101:913.0 103:713.0 111:84.0 113:761.0 114:53.0 115:189.0 116:678.0 117:1036.0 118:23.0 120:1.0 124:3.0 128:50.0 129:1720.0 130:197.0 131:702.0 132:269.0 133:1146.0 134:40.0 135:54.0 141:21.0 142:1.0 143:1068.0 144:123.0 145:349.0 146:24.0 147:2345.0 148:317.0 149:145.0 157:154.0 159:13.0 169:322.0 171:136.0 175:127.0 185:29.0 187:46.0 188:4.0 189:865.0 190:477.0 191:220.0 194:1.0 198:8.0 199:1.0 202:2.0 204:1473.0 205:219.0 206:87.0 211:21.0 215:45.0 217:6538.0 218:1478.0 219:700.0 220:18.0 221:72.0 223:4.0 231:197.0 233:67.0 242:1.0 243:29.0 245:29.0 246:100.0 257:12.0 259:222.0 263:26.0 266:1.0 267:1.0 273:8.0 278:1.0 287:29.0 288:6.0 291:63.0 299:9.0 301:9.0 305:529.0 306:651.0 307:140.0 308:82.0 309:7.0 310:1.0 331:33.0 332:4.0 338:2.0 348:10.0 349:20.0 385:4.0 392:220.0 393:57.0 395:6.0 423:5.0 465:1.0 304 79_aspartic acid 79 480387 87:91.0 96:51.0 97:57.0 98:86.0 99:100.0 100:3071.0 101:325.0 102:140.0 103:85.0 115:76.0 117:579.0 118:67.0 129:72.0 130:177.0 132:82.0 133:399.0 134:83.0 142:92.0 147:1028.0 148:289.0 149:74.0 160:33.0 163:47.0 164:28.0 173:22.0 174:51.0 188:319.0 189:76.0 190:42.0 202:314.0 203:31.0 204:79.0 216:94.0 218:511.0 219:116.0 220:18.0 232:2572.0 233:417.0 234:183.0 235:21.0 267:39.0 291:15.0 306:42.0 315:14.0 316:15.0 335:36.0 344:20.0 365:13.0 379:16.0 408:22.0 482:15.0 485:20.0 494:14.0 497:35.0 217 8_proline 8 364716 85:2056.0 86:1998.0 87:940.0 88:328.0 89:338.0 90:51.0 92:149.0 94:210.0 95:311.0 96:577.0 97:573.0 98:1498.0 99:2820.0 100:4125.0 101:1740.0 102:731.0 103:1654.0 104:106.0 105:427.0 106:176.0 107:465.0 108:67.0 109:52.0 110:311.0 111:232.0 112:301.0 113:996.0 114:329.0 115:1985.0 116:429.0 117:1213.0 118:146.0 119:466.0 120:44.0 121:71.0 122:64.0 123:52.0 124:625.0 125:120.0 126:878.0 127:934.0 128:807.0 129:255.0 131:2440.0 132:478.0 133:3064.0 134:570.0 135:94.0 138:158.0 139:151.0 140:2324.0 141:1105.0 142:160084.0 143:21857.0 144:6216.0 145:351.0 147:17915.0 148:2674.0 149:1091.0 150:66.0 152:85.0 154:93.0 156:89.0 158:368.0 159:85.0 160:31.0 166:8.0 168:85.0 169:16.0 170:1512.0 171:205.0 172:283.0 173:95.0 174:94.0 175:649.0 177:23.0 181:51.0 182:29.0 188:19.0 198:37.0 210:19.0 214:104.0 216:5899.0 217:1120.0 218:633.0 219:99.0 230:135.0 240:124.0 242:98.0 244:451.0 245:50.0 246:27.0 255:25.0 257:65.0 258:18.0 259:98.0 344:19.0 381:14.0 389:16.0 433:15.0 232 80_lactic acid 80 217657 85:8684.0 86:6573.0 87:72227.0 88:111565.0 89:22391.0 90:1554.0 91:2622.0 92:778.0 93:502.0 94:4760.0 95:1164.0 96:739.0 97:892.0 98:246.0 99:4891.0 100:2372.0 101:61750.0 102:48891.0 103:46949.0 104:6822.0 105:17397.0 106:1817.0 107:2274.0 108:297.0 109:91.0 111:450.0 113:4576.0 114:1039.0 115:35415.0 116:15880.0 117:1091636.0 118:122979.0 119:56962.0 120:3499.0 121:613.0 126:206.0 127:1515.0 128:232.0 129:21595.0 130:2560.0 131:73022.0 132:12571.0 133:150112.0 134:23790.0 135:12422.0 136:1035.0 137:319.0 141:59.0 143:703.0 144:379.0 145:1599.0 146:1603.0 147:1233845.0 148:206049.0 149:109315.0 150:10259.0 151:1388.0 159:535.0 161:458.0 162:131.0 163:508.0 164:179.0 167:62.0 170:79.0 171:131.0 172:124.0 173:211.0 175:8086.0 176:1623.0 177:440.0 180:153.0 181:108.0 182:125.0 183:84.0 184:1130.0 185:407.0 186:223.0 187:68.0 188:179.0 189:308.0 190:122494.0 191:195244.0 192:43519.0 193:16179.0 194:1913.0 195:299.0 196:58.0 203:6144.0 204:1185.0 205:467.0 206:152.0 207:160.0 208:134.0 209:142.0 211:171.0 212:129.0 214:35.0 217:659.0 218:304.0 219:43925.0 220:8054.0 221:3693.0 222:384.0 223:113.0 227:50.0 231:26.0 233:188.0 239:54.0 240:82.0 241:90.0 243:54.0 245:37.0 246:66.0 247:151.0 248:86.0 251:57.0 252:72.0 255:78.0 258:43.0 259:64.0 260:10.0 261:69.0 263:74.0 265:105.0 266:36.0 267:120.0 268:79.0 269:53.0 270:54.0 272:51.0 274:55.0 276:12.0 278:89.0 280:107.0 281:146.0 282:99.0 283:61.0 284:76.0 285:69.0 287:47.0 290:58.0 291:70.0 292:65.0 293:81.0 295:71.0 299:107.0 300:77.0 305:70.0 307:98.0 309:67.0 312:50.0 313:86.0 314:73.0 315:86.0 317:80.0 318:45.0 319:86.0 321:31.0 322:58.0 323:91.0 324:88.0 325:90.0 326:67.0 327:87.0 329:88.0 334:40.0 335:60.0 337:75.0 338:77.0 342:93.0 343:72.0 345:69.0 346:101.0 347:63.0 348:101.0 349:62.0 350:96.0 352:95.0 353:57.0 356:62.0 357:42.0 362:89.0 363:60.0 364:36.0 365:78.0 366:76.0 367:64.0 368:45.0 371:46.0 372:84.0 373:71.0 375:56.0 376:94.0 380:41.0 382:65.0 383:40.0 384:63.0 385:74.0 387:90.0 388:11.0 389:71.0 390:27.0 392:37.0 393:38.0 394:9.0 395:62.0 396:80.0 398:44.0 400:22.0 402:42.0 403:66.0 405:84.0 407:69.0 408:46.0 409:72.0 411:61.0 412:42.0 413:8.0 414:27.0 416:57.0 417:72.0 418:61.0 419:57.0 420:71.0 421:83.0 425:77.0 426:36.0 427:72.0 428:67.0 431:69.0 433:99.0 434:90.0 435:22.0 436:72.0 439:58.0 440:47.0 442:55.0 444:77.0 447:79.0 449:57.0 451:58.0 452:82.0 453:65.0 454:26.0 456:80.0 457:46.0 458:58.0 459:89.0 460:46.0 463:78.0 466:51.0 467:57.0 469:65.0 470:40.0 472:49.0 473:25.0 474:70.0 476:64.0 477:13.0 478:94.0 480:69.0 481:62.0 482:64.0 483:42.0 485:69.0 486:83.0 490:47.0 491:78.0 493:76.0 494:26.0 495:85.0 496:86.0 500:27.0 142 80_lactic acid** 80 217657 85:8684.0 86:6573.0 87:72227.0 88:111565.0 89:22391.0 90:1554.0 91:2622.0 92:778.0 93:502.0 94:4760.0 95:1164.0 96:739.0 97:892.0 98:246.0 99:4891.0 100:2372.0 101:61750.0 102:48891.0 103:46949.0 104:6822.0 105:17397.0 106:1817.0 107:2274.0 108:297.0 109:91.0 111:450.0 113:4576.0 114:1039.0 115:35415.0 116:15880.0 117:1091636.0 118:122979.0 119:56962.0 120:3499.0 121:613.0 126:206.0 127:1515.0 128:232.0 129:21595.0 130:2560.0 131:73022.0 132:12571.0 133:150112.0 134:23790.0 135:12422.0 136:1035.0 137:319.0 141:59.0 143:703.0 144:379.0 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482:64.0 483:42.0 485:69.0 486:83.0 490:47.0 491:78.0 493:76.0 494:26.0 495:85.0 496:86.0 500:27.0 191 84199_n-acetylglutamate 84199 477776 85:10633.0 86:1766.0 87:340.0 88:66.0 89:264.0 91:59.0 92:20.0 93:282.0 94:160.0 98:705.0 100:1546.0 101:446.0 102:383.0 103:4101.0 104:400.0 105:111.0 108:18.0 112:715.0 114:1204.0 115:585.0 116:5630.0 117:66.0 118:193.0 121:46.0 123:57.0 124:253.0 126:24.0 128:469.0 129:1054.0 130:3040.0 131:379.0 135:39.0 136:15.0 138:9.0 140:5548.0 141:3.0 142:1504.0 146:90.0 147:283.0 148:17.0 149:48.0 151:3.0 153:333.0 154:77.0 155:5960.0 156:4662.0 157:11837.0 158:14742.0 160:157.0 163:13.0 165:3.0 168:61.0 169:202.0 170:90.0 171:2995.0 172:191.0 173:24.0 175:2.0 176:2.0 177:2.0 178:1.0 179:1.0 181:73.0 184:52.0 186:7763.0 187:1074.0 188:284.0 189:15.0 191:6.0 192:1.0 193:1.0 197:115.0 199:47.0 200:7.0 201:175.0 202:7.0 204:21.0 205:18.0 206:2.0 207:1.0 209:1.0 211:70.0 221:8.0 222:1.0 227:542.0 228:59.0 235:5.0 236:1.0 237:1.0 244:8.0 253:3.0 262:2.0 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375:8.0 386:221.0 387:4647.0 388:1672.0 389:1011.0 390:274.0 391:68.0 392:10.0 421:1.0 443:10.0 476:9.0 497:12.0 158 84524_inosine 84524 897434 85:1568.0 86:780.0 87:1166.0 88:560.0 89:1904.0 91:15501.0 92:2918.0 93:6326.0 94:1647.0 95:2401.0 97:1081.0 98:220.0 99:1165.0 100:804.0 101:3341.0 102:808.0 103:15276.0 104:2320.0 105:6001.0 106:3197.0 107:1491.0 108:2478.0 109:746.0 110:1136.0 111:1921.0 112:413.0 113:1448.0 114:353.0 115:3043.0 116:2998.0 117:9407.0 118:1635.0 119:4572.0 120:1119.0 121:826.0 122:365.0 123:390.0 124:342.0 125:560.0 126:410.0 127:944.0 128:745.0 129:6916.0 130:1540.0 131:5401.0 132:1978.0 133:6175.0 134:1052.0 135:1120.0 136:222.0 137:272.0 138:1040.0 139:344.0 140:191.0 141:849.0 142:811.0 143:2861.0 144:777.0 145:2410.0 146:921.0 147:12798.0 148:2083.0 149:1405.0 150:419.0 151:246.0 152:120.0 153:663.0 154:185.0 155:440.0 156:241.0 157:1526.0 158:407.0 159:1184.0 160:321.0 161:428.0 162:405.0 163:457.0 164:145.0 165:346.0 166:1117.0 167:411.0 168:208.0 169:2730.0 170:519.0 171:882.0 173:691.0 174:54.0 175:375.0 176:164.0 177:435.0 178:113.0 179:219.0 180:252.0 181:424.0 182:97.0 183:269.0 185:224.0 187:237.0 189:984.0 190:216.0 191:464.0 192:533.0 193:8163.0 194:1429.0 195:390.0 196:128.0 197:189.0 198:108.0 199:326.0 200:119.0 201:222.0 202:120.0 203:192.0 204:365.0 205:434.0 206:405.0 207:1541.0 208:616.0 209:2943.0 210:178.0 211:105.0 212:99.0 213:151.0 215:648.0 216:149.0 217:14712.0 218:2569.0 219:1558.0 220:193.0 221:491.0 222:49.0 223:102.0 224:30.0 225:64.0 226:46.0 227:82.0 229:294.0 230:10605.0 231:2623.0 232:1108.0 233:219.0 234:54.0 235:174.0 236:65.0 237:4677.0 238:892.0 239:211.0 241:29.0 242:28.0 243:3063.0 244:783.0 245:7719.0 246:1654.0 247:734.0 248:192.0 249:188.0 250:21.0 251:82.0 252:42.0 254:26.0 257:230.0 258:750.0 259:3915.0 260:723.0 261:413.0 262:30.0 263:135.0 265:906.0 266:226.0 267:276.0 268:37.0 276:34.0 278:44.0 279:101.0 280:1223.0 281:4422.0 282:1184.0 283:433.0 284:94.0 291:143.0 292:91.0 293:26.0 294:88.0 295:35.0 296:32.0 299:31.0 305:29.0 306:92.0 307:1260.0 308:271.0 309:291.0 310:14.0 311:66.0 312:10.0 317:31.0 318:22.0 319:64.0 320:133.0 321:116.0 322:119.0 323:779.0 324:199.0 326:11.0 327:15.0 331:13.0 333:103.0 335:325.0 336:60.0 337:52.0 338:133.0 339:61.0 347:48.0 348:564.0 349:219.0 350:68.0 351:53.0 361:52.0 362:25.0 363:184.0 364:62.0 366:9.0 377:55.0 379:48.0 394:15.0 395:329.0 396:139.0 397:11.0 424:12.0 437:5.0 452:49.0 453:187.0 454:90.0 465:36.0 466:74.0 467:21.0 468:21.0 469:23.0 98 84531_2-monoolein 84531 941794 85:232.0 87:211.0 88:58.0 89:445.0 91:823.0 92:128.0 93:916.0 94:354.0 95:1224.0 96:388.0 97:243.0 98:63.0 99:217.0 101:1656.0 102:154.0 103:14217.0 104:1223.0 105:902.0 107:335.0 108:145.0 109:395.0 110:153.0 111:102.0 112:25.0 113:248.0 114:23.0 115:284.0 116:221.0 117:652.0 119:259.0 120:34.0 121:300.0 122:28.0 123:125.0 124:65.0 125:21.0 128:32.0 129:8919.0 130:1155.0 131:1582.0 132:109.0 133:1180.0 134:82.0 135:308.0 136:101.0 137:66.0 138:42.0 141:9.0 143:150.0 144:28.0 145:197.0 146:107.0 147:4502.0 148:866.0 149:642.0 150:101.0 151:59.0 157:56.0 159:111.0 161:30.0 163:305.0 164:82.0 166:22.0 167:21.0 169:17.0 171:88.0 172:29.0 173:49.0 174:36.0 175:226.0 176:47.0 177:151.0 178:61.0 188:32.0 189:151.0 190:22.0 191:500.0 192:29.0 194:22.0 201:220.0 202:33.0 203:711.0 204:235.0 205:92.0 208:52.0 213:17.0 215:58.0 217:521.0 218:939.0 219:486.0 220:174.0 221:28.0 222:25.0 225:21.0 237:32.0 241:19.0 244:47.0 246:28.0 255:18.0 261:24.0 262:71.0 263:43.0 264:29.0 265:12.0 270:19.0 271:7.0 276:15.0 280:14.0 281:57.0 309:20.0 311:18.0 322:12.0 326:16.0 336:12.0 337:99.0 338:34.0 341:28.0 351:16.0 367:42.0 370:14.0 387:23.0 397:19.0 408:176.0 409:75.0 410:12.0 412:25.0 413:19.0 427:27.0 429:17.0 430:24.0 447:16.0 469:18.0 471:26.0 474:15.0 477:18.0 481:17.0 483:34.0 484:40.0 485:15.0 486:17.0 500:23.0 230 84542_nicotinamide 84542 471602 86:209.0 89:162.0 90:198.0 92:127.0 93:263.0 94:195.0 100:836.0 102:136.0 103:220.0 104:2595.0 105:4174.0 106:810.0 108:61.0 119:174.0 120:170.0 122:157.0 123:39.0 135:126.0 136:6136.0 137:808.0 138:240.0 139:45.0 148:164.0 150:54.0 151:55.0 161:87.0 163:218.0 164:32.0 165:80.0 166:33.0 175:86.0 178:33.0 179:15388.0 180:2109.0 181:675.0 182:48.0 193:1190.0 194:529.0 195:117.0 129 84922_cytidine-5-monophosphate NIST 84922 974825 85:28.0 86:48.0 87:183.0 89:217.0 92:174.0 93:138.0 94:91.0 95:208.0 96:508.0 97:468.0 98:209.0 99:978.0 100:227.0 101:662.0 102:270.0 103:356.0 104:117.0 107:49.0 108:57.0 109:454.0 110:126.0 111:230.0 112:180.0 113:625.0 114:69.0 115:439.0 116:277.0 117:241.0 118:58.0 119:216.0 121:181.0 122:31.0 123:149.0 124:166.0 125:243.0 126:557.0 127:621.0 128:186.0 129:1679.0 130:235.0 131:210.0 132:172.0 133:1891.0 134:156.0 135:540.0 136:185.0 137:256.0 138:286.0 139:187.0 140:415.0 141:255.0 142:278.0 143:727.0 145:176.0 147:1729.0 148:953.0 149:628.0 150:156.0 151:242.0 152:37.0 153:251.0 154:201.0 155:150.0 156:160.0 157:128.0 158:61.0 159:69.0 161:61.0 165:92.0 166:127.0 167:121.0 168:295.0 169:8803.0 170:1355.0 171:977.0 172:93.0 173:43.0 175:34.0 177:193.0 179:98.0 180:38.0 181:381.0 182:19.0 183:851.0 184:196.0 185:45.0 186:53.0 187:54.0 189:74.0 190:25.0 191:93.0 192:15.0 194:84.0 195:46.0 196:25.0 197:208.0 198:284.0 199:249.0 200:55.0 201:15.0 202:21.0 203:56.0 204:161.0 205:102.0 206:44.0 207:124.0 208:129.0 209:117.0 211:1894.0 212:243.0 213:38.0 214:51.0 215:895.0 216:76.0 217:613.0 218:74.0 219:59.0 221:33.0 223:84.0 225:428.0 226:134.0 227:573.0 228:174.0 229:171.0 230:770.0 231:255.0 232:114.0 234:52.0 235:68.0 236:34.0 237:56.0 238:66.0 241:126.0 242:7.0 243:796.0 244:72.0 245:95.0 247:62.0 253:185.0 255:58.0 257:116.0 258:156.0 259:207.0 260:53.0 261:74.0 262:48.0 266:59.0 268:40.0 269:63.0 274:41.0 279:18.0 282:64.0 283:78.0 284:45.0 285:202.0 288:53.0 290:54.0 292:38.0 293:51.0 294:272.0 295:41.0 296:19.0 297:95.0 298:57.0 299:1717.0 300:369.0 301:163.0 302:79.0 303:32.0 307:53.0 308:53.0 312:48.0 313:27.0 314:159.0 315:2750.0 316:706.0 317:339.0 318:152.0 319:47.0 320:31.0 321:47.0 322:14.0 323:12.0 325:12.0 326:25.0 327:86.0 328:134.0 329:57.0 330:72.0 332:38.0 335:37.0 336:35.0 337:50.0 339:27.0 340:72.0 341:79.0 342:85.0 344:7.0 345:22.0 346:41.0 348:6.0 349:54.0 351:23.0 352:28.0 353:28.0 354:57.0 355:58.0 356:75.0 357:35.0 359:19.0 361:58.0 362:29.0 363:46.0 364:40.0 367:7.0 369:95.0 370:153.0 371:78.0 372:106.0 373:109.0 374:64.0 375:28.0 377:53.0 378:45.0 380:36.0 381:36.0 382:19.0 383:6.0 384:67.0 387:72.0 388:53.0 396:37.0 398:38.0 401:7.0 402:66.0 404:72.0 405:44.0 410:19.0 412:68.0 416:64.0 417:14.0 419:43.0 422:31.0 429:20.0 430:39.0 431:10.0 434:21.0 435:17.0 436:14.0 438:70.0 440:35.0 442:77.0 444:38.0 445:54.0 447:49.0 449:53.0 450:6.0 451:22.0 452:53.0 453:37.0 457:55.0 458:28.0 460:62.0 461:35.0 464:57.0 465:47.0 467:30.0 468:36.0 469:44.0 470:21.0 471:27.0 472:35.0 475:8.0 477:17.0 478:60.0 482:59.0 483:46.0 484:71.0 485:29.0 486:64.0 487:31.0 490:17.0 492:26.0 493:38.0 495:27.0 496:40.0 497:38.0 498:33.0 85 85102_6-deoxyglucose 85102 573663 85:1382.0 86:894.0 87:839.0 88:367.0 89:5317.0 90:407.0 91:305.0 95:82.0 96:126.0 97:153.0 98:192.0 99:868.0 100:2605.0 101:2321.0 102:1181.0 103:5551.0 104:561.0 105:2504.0 106:242.0 107:146.0 108:149.0 109:70.0 110:120.0 111:250.0 112:338.0 113:533.0 114:1548.0 115:2124.0 116:1054.0 117:90320.0 118:9236.0 119:3823.0 120:191.0 121:50.0 122:58.0 124:133.0 125:98.0 126:205.0 127:703.0 128:771.0 129:7381.0 130:1805.0 131:6409.0 132:758.0 133:6297.0 134:747.0 135:454.0 136:87.0 138:56.0 140:110.0 141:165.0 142:406.0 143:1372.0 144:222.0 145:539.0 146:87.0 147:16936.0 148:2614.0 149:1943.0 150:187.0 151:106.0 153:47.0 154:169.0 155:134.0 156:151.0 157:319.0 158:315.0 159:88.0 160:14702.0 161:4245.0 162:809.0 163:760.0 164:109.0 166:27.0 167:55.0 168:55.0 169:41.0 170:140.0 171:131.0 172:213.0 173:328.0 177:153.0 178:62.0 179:37.0 180:55.0 181:90.0 182:169.0 183:60.0 184:60.0 185:30.0 186:123.0 187:37.0 188:87.0 189:1535.0 190:377.0 191:1234.0 192:224.0 193:119.0 194:58.0 198:96.0 199:45.0 200:105.0 201:720.0 202:203.0 203:1191.0 204:1881.0 205:1238.0 206:313.0 207:232.0 210:32.0 211:16.0 212:97.0 214:92.0 215:145.0 216:437.0 217:3845.0 218:886.0 219:2084.0 220:350.0 221:456.0 222:90.0 223:70.0 224:40.0 225:48.0 226:31.0 227:32.0 228:258.0 229:128.0 230:129.0 231:806.0 232:323.0 233:908.0 234:485.0 235:139.0 236:50.0 237:25.0 238:27.0 240:41.0 241:46.0 242:34.0 243:97.0 244:282.0 245:141.0 246:142.0 247:70.0 248:54.0 249:28.0 251:24.0 253:39.0 254:46.0 256:177.0 257:50.0 258:72.0 259:29.0 260:472.0 261:123.0 262:139.0 263:25.0 265:35.0 267:19.0 270:87.0 272:95.0 273:65.0 274:302.0 275:84.0 276:42.0 277:3097.0 278:844.0 279:388.0 280:98.0 281:46.0 283:40.0 284:42.0 285:34.0 286:57.0 287:42.0 288:56.0 290:48.0 291:244.0 292:95.0 293:171.0 294:58.0 295:15.0 296:33.0 297:42.0 299:23.0 300:18.0 301:35.0 302:79.0 304:100.0 305:238.0 306:128.0 307:292.0 308:69.0 309:47.0 310:50.0 311:41.0 312:14.0 313:23.0 315:38.0 316:40.0 317:32.0 318:38.0 319:243.0 320:114.0 321:873.0 322:282.0 323:137.0 324:20.0 325:31.0 326:32.0 328:23.0 330:34.0 332:32.0 333:60.0 334:52.0 335:35.0 337:26.0 340:21.0 342:36.0 343:24.0 344:51.0 346:31.0 348:25.0 349:20.0 350:38.0 352:20.0 355:26.0 359:28.0 362:41.0 363:29.0 364:153.0 366:42.0 369:33.0 374:25.0 375:24.0 376:30.0 377:60.0 382:31.0 383:44.0 386:40.0 387:33.0 393:36.0 394:44.0 395:33.0 398:23.0 403:24.0 406:46.0 408:22.0 409:31.0 410:28.0 411:24.0 415:25.0 418:28.0 419:34.0 421:12.0 424:25.0 425:41.0 427:36.0 428:32.0 430:18.0 431:26.0 432:23.0 435:27.0 439:14.0 443:30.0 446:28.0 451:20.0 452:23.0 455:15.0 458:29.0 459:23.0 460:31.0 464:30.0 468:48.0 475:37.0 476:37.0 478:19.0 479:34.0 483:28.0 494:25.0 499:49.0 169 87703_thymidine 87703 349402 85:2128.0 86:315.0 87:993.0 88:296.0 89:761.0 90:170.0 91:199.0 93:88.0 94:143.0 95:637.0 96:198.0 97:555.0 98:401.0 99:2720.0 100:964.0 101:6820.0 102:681.0 103:10367.0 104:790.0 105:668.0 109:307.0 111:3809.0 112:435.0 113:4473.0 114:564.0 115:1105.0 116:667.0 117:787.0 118:65.0 119:288.0 124:34.0 125:1815.0 126:288.0 127:3843.0 128:439.0 129:3217.0 130:471.0 131:1443.0 132:211.0 133:2376.0 134:328.0 137:202.0 138:28.0 139:81.0 140:63.0 141:578.0 142:1137.0 143:1994.0 144:213.0 145:97.0 146:99.0 147:9723.0 148:1575.0 149:989.0 150:116.0 151:217.0 153:123.0 154:65.0 155:21288.0 156:3228.0 157:3465.0 158:336.0 159:26.0 161:30.0 167:99.0 169:20431.0 170:21917.0 171:3726.0 172:658.0 173:100.0 174:38.0 175:26.0 177:61.0 178:40.0 179:63.0 185:18.0 189:271.0 201:39.0 203:35.0 204:21.0 215:125.0 216:35.0 217:534.0 218:131.0 219:36.0 223:17.0 224:22.0 229:15.0 230:116.0 231:33.0 232:32.0 235:36.0 236:26.0 237:15.0 238:22.0 240:70.0 242:34.0 243:22.0 244:46.0 245:130.0 246:48.0 248:23.0 249:30.0 250:18.0 251:33.0 252:29.0 253:36.0 254:24.0 257:21.0 259:48.0 260:45.0 265:29.0 266:27.0 268:35.0 269:61.0 270:22.0 275:28.0 277:19.0 279:25.0 281:41.0 286:23.0 289:23.0 290:15.0 295:13.0 305:33.0 307:25.0 308:34.0 309:25.0 318:37.0 322:16.0 325:13.0 328:29.0 332:29.0 334:39.0 336:14.0 346:19.0 349:25.0 350:19.0 352:22.0 353:31.0 354:24.0 357:17.0 360:15.0 361:19.0 362:26.0 363:27.0 364:20.0 367:17.0 368:19.0 399:14.0 406:13.0 411:19.0 428:20.0 436:23.0 445:23.0 450:31.0 460:19.0 461:17.0 466:26.0 470:13.0 472:25.0 476:17.0 478:39.0 479:14.0 486:27.0 494:14.0 495:28.0 496:34.0 499:18.0 204 87783_cis-gondoic acid 87783 847372 85:2318.0 89:1537.0 91:1953.0 92:494.0 93:1867.0 94:1814.0 95:6984.0 96:10449.0 97:6552.0 98:6703.0 99:1435.0 105:1710.0 106:308.0 107:1454.0 108:883.0 109:3479.0 110:3575.0 111:2492.0 112:1073.0 113:314.0 117:29549.0 118:2998.0 119:2252.0 120:341.0 121:1361.0 122:447.0 123:2047.0 124:1355.0 125:876.0 126:132.0 127:401.0 129:20607.0 130:2301.0 131:4009.0 132:4647.0 133:2381.0 134:1003.0 135:968.0 136:299.0 137:1325.0 138:918.0 139:275.0 141:83.0 143:1184.0 145:8092.0 146:1106.0 148:607.0 149:268.0 150:186.0 151:630.0 152:1111.0 153:196.0 155:781.0 157:471.0 158:255.0 159:361.0 161:88.0 162:77.0 163:127.0 165:288.0 166:392.0 169:344.0 170:193.0 171:700.0 172:252.0 173:202.0 175:109.0 177:59.0 183:357.0 185:1515.0 187:288.0 188:93.0 190:49.0 192:254.0 194:247.0 199:1939.0 200:227.0 201:471.0 203:89.0 207:177.0 208:726.0 209:163.0 211:222.0 213:241.0 216:107.0 219:53.0 222:154.0 227:241.0 229:175.0 230:11.0 231:110.0 233:292.0 234:282.0 235:145.0 237:122.0 241:230.0 242:85.0 243:100.0 248:117.0 249:195.0 250:482.0 251:186.0 255:122.0 267:58.0 269:125.0 270:102.0 274:86.0 279:110.0 293:418.0 339:103.0 366:171.0 367:1977.0 368:900.0 369:232.0 370:85.0 382:176.0 385:84.0 387:97.0 433:80.0 437:63.0 448:77.0 464:249.0 465:77.0 467:59.0 476:38.0 491:74.0 98 87943_cholesterol 87943 1076014 85:10145.0 86:1203.0 87:1832.0 88:723.0 89:6644.0 90:1153.0 91:78364.0 92:13956.0 93:58070.0 94:11396.0 95:77285.0 96:6765.0 97:16725.0 98:1574.0 99:4571.0 100:554.0 101:8272.0 102:1830.0 103:8723.0 104:4368.0 105:68934.0 106:14571.0 107:52652.0 108:10693.0 109:32688.0 110:4633.0 111:10017.0 112:1057.0 113:3097.0 114:830.0 115:14461.0 116:7208.0 117:25953.0 118:8439.0 119:52382.0 120:25231.0 121:43118.0 122:7099.0 123:12908.0 124:1630.0 125:4005.0 126:579.0 127:3873.0 128:8918.0 129:141596.0 130:24324.0 131:34222.0 132:10562.0 133:28840.0 134:7967.0 135:18224.0 136:3070.0 137:5405.0 138:805.0 139:1965.0 140:377.0 141:4929.0 142:4851.0 143:24228.0 144:8226.0 145:39000.0 146:10689.0 147:20330.0 148:6661.0 149:11219.0 150:1953.0 151:4026.0 152:1345.0 153:2295.0 154:1403.0 155:9424.0 156:3228.0 157:11416.0 158:5693.0 159:24635.0 160:15542.0 161:18297.0 162:4607.0 163:11655.0 164:1857.0 165:4229.0 166:1032.0 167:1617.0 168:1616.0 169:4067.0 170:1457.0 171:6384.0 172:2845.0 173:10669.0 174:3973.0 175:7525.0 176:1534.0 177:4521.0 178:909.0 179:2872.0 180:702.0 181:3022.0 182:1908.0 183:2412.0 184:832.0 185:5512.0 186:1767.0 187:3941.0 188:1297.0 189:4632.0 190:1007.0 191:2460.0 192:658.0 193:2562.0 194:1119.0 195:1582.0 196:1759.0 197:2640.0 198:960.0 199:4991.0 200:2474.0 201:4445.0 202:1048.0 203:5867.0 204:1193.0 205:2376.0 206:1705.0 207:2200.0 208:598.0 209:666.0 210:448.0 211:1014.0 212:633.0 213:9072.0 214:2752.0 215:4140.0 216:1211.0 217:4336.0 218:1219.0 219:3457.0 220:992.0 221:760.0 222:209.0 223:445.0 224:144.0 225:523.0 226:295.0 227:2248.0 228:2114.0 229:2341.0 230:569.0 231:1192.0 232:480.0 233:3237.0 234:696.0 235:778.0 236:223.0 237:192.0 238:122.0 239:797.0 240:315.0 241:1562.0 242:522.0 243:625.0 244:331.0 245:1556.0 246:1521.0 247:7057.0 248:1817.0 249:558.0 250:599.0 251:384.0 252:102.0 253:612.0 254:454.0 255:8796.0 256:2214.0 257:847.0 258:321.0 259:1698.0 260:1198.0 261:726.0 262:260.0 263:254.0 264:97.0 265:138.0 266:129.0 267:324.0 268:130.0 269:438.0 270:110.0 271:463.0 272:213.0 273:1252.0 274:1212.0 275:2316.0 276:503.0 277:177.0 278:77.0 279:105.0 280:69.0 281:249.0 282:22.0 283:830.0 284:350.0 285:308.0 286:235.0 287:500.0 288:220.0 289:368.0 290:195.0 291:365.0 292:136.0 293:78.0 294:79.0 295:179.0 296:117.0 297:367.0 298:219.0 299:566.0 300:365.0 301:1473.0 302:513.0 303:429.0 304:169.0 305:49.0 306:46.0 307:33.0 308:9.0 309:84.0 310:62.0 311:533.0 312:163.0 313:439.0 314:441.0 315:412.0 316:110.0 317:158.0 318:61.0 319:84.0 320:14.0 323:20.0 324:28.0 325:520.0 326:1166.0 327:1464.0 328:4656.0 329:18150.0 330:6332.0 331:1362.0 332:224.0 333:87.0 334:24.0 335:31.0 336:2.0 337:31.0 338:56.0 339:498.0 340:912.0 341:488.0 342:328.0 343:173.0 344:99.0 345:251.0 346:117.0 347:25.0 348:21.0 349:79.0 350:9.0 351:72.0 352:308.0 353:7839.0 354:3795.0 355:855.0 356:222.0 357:78.0 358:17.0 359:93.0 360:18.0 361:5.0 362:54.0 363:54.0 364:39.0 365:58.0 366:107.0 367:860.0 368:15657.0 369:7357.0 370:1739.0 371:351.0 372:61.0 373:32.0 374:32.0 375:2.0 376:7.0 379:6.0 381:8.0 386:30.0 387:76.0 388:74.0 389:27.0 393:17.0 394:19.0 400:47.0 401:62.0 402:64.0 403:7.0 405:13.0 407:7.0 409:31.0 410:37.0 411:28.0 412:2.0 413:22.0 415:139.0 416:182.0 417:140.0 418:53.0 424:3.0 425:82.0 426:27.0 427:47.0 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183:141.0 184:152.0 188:81.0 189:180.0 192:160.0 193:1212.0 194:36.0 195:595.0 196:106.0 197:8.0 198:49.0 207:383.0 208:42.0 209:114.0 210:82.0 211:401.0 212:92.0 213:109.0 220:36.0 225:30.0 226:17.0 227:81.0 231:39.0 239:56.0 242:31.0 244:22.0 245:123.0 246:97.0 247:71.0 252:11.0 255:113.0 256:27.0 259:113.0 260:54.0 261:33.0 262:68.0 263:9.0 264:34.0 265:44.0 266:11.0 269:307.0 270:33.0 271:50.0 272:55.0 273:38.0 275:59.0 278:56.0 280:36.0 282:32.0 283:252.0 284:78.0 285:560.0 286:73.0 287:116.0 289:43.0 290:53.0 291:25.0 293:13.0 294:9.0 296:30.0 297:64.0 298:27.0 299:1667.0 300:436.0 301:225.0 302:20.0 305:53.0 308:25.0 311:15.0 312:23.0 313:134.0 314:35.0 315:53.0 316:37.0 317:17.0 318:36.0 322:46.0 328:27.0 330:18.0 333:89.0 335:24.0 340:20.0 343:39.0 347:49.0 350:35.0 351:7.0 353:22.0 354:23.0 355:23.0 356:29.0 357:47.0 358:17.0 360:36.0 361:60.0 362:57.0 363:377.0 364:184.0 365:90.0 366:7.0 367:50.0 370:15.0 371:35.0 372:12.0 374:24.0 382:34.0 390:35.0 392:15.0 394:23.0 396:21.0 399:24.0 403:24.0 405:33.0 406:31.0 407:10.0 408:24.0 409:20.0 410:14.0 411:19.0 421:46.0 423:48.0 424:9.0 425:6.0 433:23.0 435:87.0 438:33.0 439:33.0 441:19.0 449:144.0 450:995.0 451:8341.0 452:2235.0 453:1616.0 454:291.0 455:1.0 456:50.0 458:36.0 465:85.0 466:581.0 467:306.0 469:65.0 470:10.0 472:26.0 476:45.0 477:36.0 478:29.0 480:25.0 481:20.0 487:26.0 497:25.0 85 8917_dehydroabietic acid 8917 850374 86:3.0 91:5.0 95:52.0 100:123.0 103:154.0 113:7.0 115:48.0 116:270.0 117:458.0 118:31.0 128:458.0 129:250.0 130:43.0 131:210.0 138:6.0 141:353.0 142:165.0 143:325.0 144:453.0 152:58.0 153:66.0 154:107.0 155:66.0 157:196.0 158:79.0 159:89.0 165:156.0 166:55.0 167:86.0 169:91.0 170:38.0 171:308.0 173:234.0 177:29.0 178:30.0 179:24.0 181:24.0 183:94.0 184:22.0 186:29.0 187:73.0 191:34.0 195:36.0 197:137.0 203:2.0 204:67.0 206:47.0 207:191.0 208:54.0 210:17.0 211:23.0 212:6.0 217:257.0 218:31.0 223:45.0 225:23.0 227:7.0 230:6.0 237:1.0 238:8.0 239:2015.0 240:491.0 241:28.0 242:37.0 249:31.0 250:57.0 254:12.0 255:112.0 256:28.0 264:9.0 267:21.0 280:35.0 282:19.0 287:19.0 292:11.0 299:49.0 300:15.0 307:6.0 308:68.0 314:20.0 324:42.0 325:57.0 327:23.0 330:7.0 352:5.0 357:102.0 358:75.0 359:76.0 364:2.0 371:22.0 372:36.0 373:43.0 374:3.0 427:12.0 476:19.0 489:9.0 451 9_leucine 9 346101 85:4635.0 86:3771.0 87:1723.0 88:653.0 90:216.0 92:322.0 93:257.0 94:240.0 95:264.0 96:604.0 97:648.0 98:1293.0 99:2270.0 100:16154.0 101:2483.0 102:35025.0 103:8176.0 104:1484.0 106:132.0 109:214.0 110:350.0 111:258.0 112:641.0 113:670.0 114:595.0 115:4531.0 116:6283.0 117:2966.0 118:912.0 119:1252.0 120:148.0 124:228.0 125:94.0 126:557.0 127:719.0 128:4500.0 129:1122.0 130:7269.0 131:3307.0 132:3858.0 133:8250.0 134:1465.0 139:205.0 140:207.0 141:204.0 142:2233.0 143:739.0 144:628.0 146:500.0 147:19925.0 148:3039.0 149:1461.0 150:198.0 152:177.0 154:128.0 155:156.0 156:568.0 157:454.0 158:128685.0 159:18878.0 160:5537.0 161:467.0 162:74.0 163:315.0 164:78.0 168:75.0 170:1304.0 171:515.0 172:251.0 173:82.0 176:138.0 177:330.0 184:188.0 185:148.0 186:118.0 187:72.0 188:173.0 190:149.0 197:102.0 199:82.0 202:116.0 203:367.0 204:304.0 206:71.0 216:90.0 217:100.0 218:3363.0 219:813.0 220:247.0 221:173.0 223:118.0 230:71.0 231:209.0 232:3942.0 233:1005.0 234:449.0 235:67.0 236:49.0 237:92.0 238:64.0 240:62.0 243:59.0 246:63.0 250:69.0 251:80.0 252:48.0 253:98.0 256:57.0 260:889.0 261:215.0 264:54.0 268:31.0 271:72.0 275:34.0 285:193.0 286:82.0 293:57.0 294:20.0 298:244.0 306:67.0 307:80.0 312:51.0 319:35.0 321:35.0 323:17.0 324:39.0 330:25.0 334:33.0 335:29.0 339:41.0 341:37.0 344:35.0 349:25.0 352:35.0 355:31.0 358:63.0 359:170.0 361:35.0 365:15.0 368:34.0 369:21.0 371:33.0 373:318.0 374:179.0 375:113.0 377:50.0 379:32.0 380:30.0 381:38.0 382:24.0 383:31.0 384:27.0 385:34.0 386:21.0 387:39.0 388:35.0 391:20.0 392:36.0 393:27.0 394:41.0 396:30.0 397:64.0 398:28.0 399:55.0 400:50.0 402:23.0 403:43.0 405:30.0 407:21.0 408:43.0 409:34.0 410:49.0 412:43.0 414:28.0 416:33.0 418:23.0 421:21.0 422:44.0 423:18.0 425:24.0 429:49.0 430:32.0 431:18.0 432:65.0 434:43.0 435:37.0 438:45.0 441:33.0 442:16.0 443:33.0 444:36.0 445:37.0 447:68.0 449:40.0 452:39.0 454:20.0 456:14.0 457:32.0 458:25.0 462:31.0 463:32.0 465:35.0 466:41.0 467:30.0 469:24.0 470:43.0 474:38.0 478:22.0 480:12.0 482:30.0 484:46.0 485:34.0 487:19.0 488:43.0 489:47.0 490:32.0 492:30.0 494:37.0 496:21.0 500:21.0 152 92_erythritol 92 471922 86:57.0 87:443.0 89:682.0 90:92.0 99:480.0 100:41.0 101:1823.0 103:7046.0 104:676.0 105:300.0 106:59.0 109:27.0 111:45.0 113:474.0 115:473.0 116:1861.0 117:6123.0 118:476.0 119:295.0 127:453.0 129:1559.0 130:129.0 131:448.0 133:1902.0 134:216.0 144:53.0 147:9776.0 148:785.0 149:656.0 158:25.0 159:8.0 163:98.0 169:60.0 174:40.0 175:153.0 176:58.0 177:60.0 183:21.0 189:1255.0 190:194.0 191:893.0 196:28.0 201:50.0 203:23.0 204:946.0 205:2257.0 206:173.0 207:79.0 211:25.0 215:36.0 216:20.0 217:3970.0 218:660.0 219:26.0 221:210.0 222:60.0 223:40.0 225:43.0 233:20.0 236:23.0 240:21.0 241:23.0 246:27.0 249:14.0 250:11.0 251:21.0 260:23.0 261:25.0 278:10.0 280:8.0 293:87.0 294:30.0 296:10.0 305:36.0 307:98.0 322:9.0 343:16.0 428:13.0 463:30.0 475:13.0 488:21.0 86 94_cystine 94 804619 85:108.0 86:247.0 87:139.0 88:76.0 89:69.0 91:149.0 92:44.0 93:30.0 95:38.0 98:79.0 99:84.0 100:3048.0 101:429.0 102:207.0 103:131.0 104:31.0 109:39.0 111:37.0 114:248.0 115:750.0 116:370.0 117:152.0 118:99.0 119:32.0 120:118.0 121:41.0 122:20.0 128:86.0 129:101.0 130:257.0 131:402.0 132:617.0 133:343.0 134:123.0 135:57.0 143:27.0 144:115.0 145:43.0 146:3584.0 147:1813.0 148:1380.0 149:261.0 156:21.0 157:29.0 158:55.0 160:66.0 167:29.0 172:110.0 173:20.0 174:87.0 178:272.0 179:44.0 188:147.0 194:27.0 195:18.0 201:20.0 202:50.0 203:99.0 205:31.0 207:52.0 216:208.0 218:3003.0 219:625.0 220:327.0 221:84.0 230:22.0 232:341.0 241:16.0 243:13.0 246:15.0 250:69.0 260:32.0 264:234.0 265:140.0 266:534.0 267:67.0 268:64.0 274:12.0 277:25.0 281:20.0 288:47.0 289:53.0 290:16.0 296:42.0 297:151.0 299:39.0 300:23.0 302:24.0 303:23.0 308:13.0 317:31.0 322:33.0 332:16.0 338:18.0 339:32.0 347:17.0 367:20.0 382:14.0 411:142.0 487:14.0 91 96_palmitoleic acid 96 706508 85:405.0 86:127.0 87:100.0 88:106.0 89:342.0 90:32.0 91:410.0 92:134.0 93:696.0 94:296.0 95:1599.0 96:1826.0 97:1110.0 98:1428.0 99:386.0 100:76.0 101:299.0 102:133.0 105:458.0 107:371.0 108:267.0 109:604.0 110:792.0 111:403.0 112:293.0 113:104.0 114:41.0 115:49.0 116:721.0 117:8045.0 118:759.0 119:439.0 120:82.0 121:328.0 123:517.0 124:259.0 125:141.0 129:6070.0 130:660.0 131:1353.0 132:963.0 133:393.0 134:168.0 135:145.0 137:281.0 138:221.0 139:86.0 141:118.0 143:319.0 144:44.0 145:1616.0 146:223.0 149:109.0 150:25.0 151:111.0 152:430.0 153:80.0 155:189.0 157:147.0 158:37.0 159:195.0 161:94.0 165:90.0 166:53.0 169:87.0 171:212.0 172:132.0 173:66.0 180:29.0 183:38.0 184:57.0 185:378.0 187:84.0 188:29.0 192:32.0 193:58.0 194:315.0 195:32.0 197:17.0 198:17.0 199:298.0 200:59.0 201:122.0 202:18.0 207:119.0 213:74.0 214:47.0 223:23.0 225:37.0 226:43.0 227:35.0 230:41.0 236:158.0 238:15.0 241:43.0 243:22.0 244:61.0 252:35.0 281:31.0 310:29.0 311:766.0 312:227.0 313:73.0 314:25.0 321:21.0 326:88.0 327:36.0 330:30.0 335:38.0 340:13.0 342:29.0 349:19.0 372:26.0 375:17.0 380:25.0 382:40.0 385:42.0 387:27.0 391:18.0 399:25.0 401:24.0 402:25.0 406:27.0 408:41.0 409:32.0 411:38.0 415:39.0 416:26.0 417:18.0 422:36.0 423:16.0 427:22.0 429:26.0 430:23.0 431:25.0 445:35.0 446:17.0 449:35.0 450:26.0 451:26.0 454:56.0 455:48.0 458:48.0 459:20.0 464:24.0 465:24.0 466:29.0 467:36.0 470:29.0 471:17.0 472:32.0 474:51.0 482:27.0 483:28.0 484:19.0 485:24.0 488:36.0 489:59.0 492:45.0 493:36.0 494:35.0 495:35.0 497:41.0 500:59.0 132 997_octadecanol 997 755409 85:3812.0 86:224.0 87:853.0 88:401.0 89:7207.0 90:593.0 91:2611.0 92:281.0 93:206.0 94:57.0 95:784.0 96:291.0 97:9121.0 98:859.0 99:2097.0 100:378.0 101:3627.0 102:510.0 103:8469.0 104:862.0 105:36.0 109:308.0 110:74.0 111:3878.0 112:352.0 113:980.0 115:1693.0 116:209.0 121:32.0 123:60.0 124:45.0 125:1173.0 126:164.0 127:120.0 129:1075.0 137:28.0 139:257.0 140:47.0 141:118.0 143:377.0 144:41.0 145:73.0 148:139.0 153:32.0 155:55.0 158:81.0 168:52.0 169:50.0 171:155.0 174:43.0 175:7.0 181:33.0 184:46.0 185:124.0 186:47.0 187:59.0 188:43.0 189:52.0 190:19.0 191:106.0 196:44.0 197:66.0 199:83.0 205:74.0 208:18.0 210:8.0 212:73.0 213:168.0 214:16.0 215:68.0 217:35.0 222:51.0 223:13.0 224:24.0 225:23.0 227:97.0 230:58.0 234:33.0 235:42.0 241:78.0 244:36.0 245:33.0 251:35.0 252:9.0 255:10.0 262:52.0 288:38.0 290:24.0 291:19.0 295:11.0 304:27.0 306:33.0 312:11.0 313:41.0 315:10.0 319:37.0 326:310.0 327:6103.0 328:1866.0 329:455.0 330:116.0 332:10.0 333:16.0 366:21.0 369:16.0 377:25.0 384:8.0 387:31.0 399:29.0 409:9.0 417:26.0 424:33.0 437:20.0 439:30.0 441:8.0 445:33.0 446:29.0 462:39.0 465:44.0 470:11.0 473:39.0 204 METABOLITES_END #END