#METABOLOMICS WORKBENCH tkind_20140611_9479231_mwtab.txt DATATRACK_ID:113 STUDY_ID:ST000061 ANALYSIS_ID:AN000099 PROJECT_ID:PR000058 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal PR:PROJECT_TITLE Patients: Unraveling the Link Between Adipose Tissue and Cancer PR:PROJECT_TYPE biomarker study PR:PROJECT_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted PR:PROJECT_SUMMARY Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington, PR:PROJECT_SUMMARY In the current investigation, unbiased profiling of the metabolome and lipidome PR:PROJECT_SUMMARY adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50 PR:PROJECT_SUMMARY patients, including stages I-IV, from the Fred Hutchinson Cancer Center PR:PROJECT_SUMMARY and the German Cancer Research Center (Heidelberg, Germany) was conducted. The PR:PROJECT_SUMMARY and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using PR:PROJECT_SUMMARY UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively. The primary PR:PROJECT_SUMMARY of this project were to 1) compare the metabolome and lipidome of matched VAT PR:PROJECT_SUMMARY SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2) PR:PROJECT_SUMMARY the associations between the lipidome and metabolome in adipose tissue PR:PROJECT_SUMMARY and serum of n=50 CRC patients and 3) test the associations between the PR:PROJECT_SUMMARY of VAT and serum with the tumor stage of CRC patients. 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 Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal ST:STUDY_TITLE Patients: GC-TOF MS analyis of subcutaneous and visceral adipose tissue samples ST:STUDY_TYPE biomarker study ST:STUDY_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted ST:STUDY_SUMMARY Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington, ST:STUDY_SUMMARY In the current investigation, unbiased profiling of the metabolome and lipidome ST:STUDY_SUMMARY adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50 ST:STUDY_SUMMARY patients, including stages I-IV, from the Fred Hutchinson Cancer Center ST:STUDY_SUMMARY and the German Cancer Research Center (Heidelberg, Germany) was conducted. The ST:STUDY_SUMMARY and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using ST:STUDY_SUMMARY UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively. The primary ST:STUDY_SUMMARY of this project were to 1) compare the metabolome and lipidome ST:STUDY_SUMMARY SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2) ST:STUDY_SUMMARY the associations between the lipidome and metabolome in adipose tissue ST:STUDY_SUMMARY and serum of n=50 CRC patients and 3) test the associations between the ST:STUDY_SUMMARY of VAT and serum with the tumor stage of CRC patients. 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 3 ST:TOTAL_SUBJECTS 130 ST:STUDY_COMMENTS 2014-03-05 17:49:16.898 #SUBJECT SU:SUBJECT_TYPE Human Fat Tissue SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 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 1 SAT_1 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 10 SAT_10 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 11 SAT_11 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 12 SAT_12 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 13 SAT_13 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 14 SAT_14 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 15 SAT_15 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 16 SAT_16 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 17 SAT_17 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 18 SAT_18 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 19 SAT_19 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 2 SAT_2 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 20 SAT_20 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 21 SAT_21 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 22 SAT_22 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 23 SAT_23 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 24 SAT_24 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 25 SAT_25 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 26 SAT_26 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 27 SAT_27 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 28 SAT_28 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 29 SAT_29 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 3 SAT_3 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 30 SAT_30 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 31 SAT_31 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 32 SAT_32 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 33 SAT_33 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 34 SAT_34 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 35 SAT_35 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 36 SAT_36 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 37 SAT_37 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 38 SAT_38 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 39 SAT_39 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 4 SAT_4 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 40 SAT_40 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 41 SAT_41 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 42 SAT_42 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 43 SAT_43 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 44 SAT_44 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 45 SAT_45 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 46 SAT_46 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 47 SAT_47 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 48 SAT_48 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 49 SAT_49 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 5 SAT_5 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 50 SAT_50 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 51 SAT_51 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 52 SAT_52 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 53 SAT_53 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 54 SAT_54 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 55 SAT_55 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 56 SAT_56 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 57 SAT_57 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 58 SAT_58 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 59 SAT_59 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 6 SAT_6 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 7 SAT_7 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 8 SAT_8 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 9 SAT_9 Source:Group 1 - Subcutaenous Fat SUBJECT_SAMPLE_FACTORS Patient 1 VAT__1 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 10 VAT__10 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 11 VAT__11 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 12 VAT__12 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 13 VAT__13 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 14 VAT__14 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 15 VAT__15 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 16 VAT__16 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 17 VAT__17 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 18 VAT__18 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 19 VAT__19 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 2 VAT__2 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 20 VAT__20 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 21 VAT__21 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 22 VAT__22 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 23 VAT__23 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 24 VAT__24 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 25 VAT__25 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 26 VAT__26 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 27 VAT__27 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 28 VAT__28 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 29 VAT__29 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 3 VAT__3 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 30 VAT__30 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 31 VAT__31 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 32 VAT__32 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 33 VAT__33 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 34 VAT__34 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 35 VAT__35 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 36 VAT__36 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 37 VAT__37 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 38 VAT__38 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 39 VAT__39 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 4 VAT__4 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 40 VAT__40 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 41 VAT__41 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 42 VAT__42 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 43 VAT__43 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 44 VAT__44 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 45 VAT__45 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 46 VAT__46 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 47 VAT__47 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 48 VAT__48 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 49 VAT__49 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 5 VAT__5 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 50 VAT__50 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 51 VAT__51 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 52 VAT__52 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 53 VAT__53 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 54 VAT__54 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 55 VAT__55 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 56 VAT__56 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 57 VAT__57 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 58 VAT__58 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 59 VAT__59 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 6 VAT__6 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 7 VAT__7 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 8 VAT__8 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS Patient 9 VAT__9 Source:Group 2 - Visceral Fat SUBJECT_SAMPLE_FACTORS - Methodblank01 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - Methodblank02 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - Methodblank03 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - Methodblank04 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - Methodblank05 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - Methodblank06 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - QC_01 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - QC_02 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - QC_03 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - QC_04 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - QC_05 Source:Method Blanks and BioRec Plasma - QC SUBJECT_SAMPLE_FACTORS - QC_06 Source:Method Blanks and BioRec Plasma - QC #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_FILENAME Protocol_for_primary_metabolites_lampe_trial_1_0214.docx TR:TREATMENT_PROTOCOL_COMMENTS Protocoll-changes.docx #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf SP:SAMPLE_SPIKING FAMEs #CHROMATOGRAPHY 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:OPERATOR_NAME Luis Valdiviez 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-TOF MS analysis (positive ion mode) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples SAT_1 SAT_10 SAT_11 SAT_12 SAT_13 SAT_14 SAT_15 SAT_16 SAT_17 SAT_18 SAT_19 SAT_2 SAT_20 SAT_21 SAT_22 SAT_23 SAT_24 SAT_25 SAT_26 SAT_27 SAT_28 SAT_29 SAT_3 SAT_30 SAT_31 SAT_32 SAT_33 SAT_34 SAT_35 SAT_36 SAT_38 SAT_39 SAT_4 SAT_40 SAT_41 SAT_42 SAT_43 SAT_45 SAT_46 SAT_47 SAT_48 SAT_49 SAT_5 SAT_50 SAT_51 SAT_52 SAT_53 SAT_54 SAT_55 SAT_56 SAT_57 SAT_58 SAT_59 SAT_6 SAT_7 SAT_8 SAT_9 VAT__1 VAT__10 VAT__11 VAT__12 VAT__13 VAT__16 VAT__17 VAT__18 VAT__19 VAT__2 VAT__20 VAT__21 VAT__23 VAT__24 VAT__25 VAT__26 VAT__27 VAT__29 VAT__3 VAT__30 VAT__31 VAT__32 VAT__33 VAT__35 VAT__36 VAT__37 VAT__4 VAT__40 VAT__41 VAT__42 VAT__44 VAT__45 VAT__46 VAT__47 VAT__48 VAT__49 VAT__5 VAT__52 VAT__53 VAT__54 VAT__55 VAT__56 VAT__57 VAT__58 VAT__59 VAT__6 VAT__7 VAT__8 VAT__9 QC_01 QC_02 QC_03 QC_04 QC_05 QC_06 Factors Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 1 - Subcutaenous Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Group 2 - Visceral Fat Source:Method Blanks and BioRec Plasma - QC Source:Method Blanks and BioRec Plasma - QC Source:Method Blanks and BioRec Plasma - QC Source:Method Blanks and BioRec Plasma - QC Source:Method Blanks and BioRec Plasma - QC Source:Method Blanks and BioRec Plasma - QC 1_5-anhydroglucitol 1046.0377 275.8413 361.2619 847.8261 606.0798 143.3002 2516.2252 2481.8702 554.9793 581.7175 927.8351 1157.7718 1139.3390 2607.1182 436.8836 581.1007 1164.5729 1011.0793 715.7816 254.7368 477.3157 195.2965 804.0915 596.8275 1067.6533 6043.4322 930.0218 709.4595 1445.5229 618.8811 1117.7686 2941.6499 405.9829 1248.3745 2079.9331 1676.7857 441.9002 701.1417 1454.9521 1032.2802 5550.0000 2740.0000 345.0106 1077.3234 816.7354 999.3943 1508.4906 1079.5880 718.9409 5132.8125 1453.1583 2446.8153 2028.5810 600.0000 653.0398 687.2385 2176.8531 1512.7029 775.1678 431.2736 911.1181 703.6082 443.2121 750.0000 2624.5376 544.7570 1466.8737 571.1382 860.8522 932.1862 177.7251 1442.3473 720.4013 403.1188 513.1332 1171.5657 915.9613 1028.3976 2521.7803 691.2533 641.5270 2149.9033 1188.6792 781.4189 2934.2466 4409.9437 950.5044 1068.8742 513.0682 7905.7650 914.7059 4405.3056 5143.8746 610.6337 522.9759 2064.3863 843.3269 1351.1217 1658.0769 473.2566 437.9630 947.4213 456.2384 2478.7720 981.9936 4131.9018 25025.0000 26032.0000 25815.0000 22350.0000 18715.0000 37748.0000 1-monoolein 390.5660 3378.6058 252.3745 213.9946 160.5446 163.7717 421.1921 485.6870 151.4523 152.7008 245.3608 256.1708 211.9248 211.4720 133.1361 225.9232 3840.4523 281.9871 197.4570 272.6316 139.8866 152.3517 158.1137 121.9432 200.8457 1192.7966 202.3205 4327.7027 524.1077 302.0979 957.6446 447.6861 166.6667 401.8205 563.8796 217.5000 184.5523 254.8690 4413.7380 459.4780 1374.0000 1121.4286 227.1762 95.9108 228.0495 171.7141 1228.3019 296.8165 207.7393 650.3906 297.0192 274.2038 178.5474 170.7071 336.4780 5028.2427 269.1808 905.0812 2228.8591 657.3140 546.4824 230.9923 266.1934 216.4751 1464.8582 365.4092 770.1863 962.3984 244.6738 1082.9960 234.5972 554.9073 716.3880 327.4718 479.3621 243.8512 1402.0556 1169.8783 474.4318 314.2950 1144.3203 2390.7157 752.5729 469.2568 713.0137 2532.8330 974.1488 863.2450 342.6136 4118.6253 1467.6471 2615.1780 4414.5299 240.0644 365.4267 725.3521 374.2747 1708.0218 593.0769 629.6547 372.2222 298.3925 268.1564 1027.7596 332.7974 1766.8712 563.0000 579.0000 503.0000 425.0000 456.0000 908.0000 1-monopalmitin 337.3585 201.0216 282.9037 106.9973 188.0937 328.4739 307.9470 304.3893 145.2282 123.6150 319.5876 241.1608 107.9067 246.7173 197.2387 87.9797 124.3719 168.3345 360.1346 285.2632 286.3894 244.3763 364.0777 280.5684 206.1311 493.6441 107.6867 153.8698 494.9906 368.1818 223.1405 150.9054 511.7521 439.8570 302.0067 108.2143 305.5366 445.2653 129.3930 376.0302 121.0000 164.2857 331.2102 61.3383 339.4225 307.9952 172.6415 195.6929 114.0530 358.3984 475.8694 118.4713 372.2260 161.6162 163.5220 179.9163 133.6151 99.5060 428.8591 214.6910 343.9070 223.2603 415.2618 239.4636 18.4957 270.4604 159.4203 211.3821 222.7031 210.5263 168.2464 323.2670 394.3144 171.2011 153.8462 89.0822 146.9166 352.9412 327.6515 111.6188 340.7821 406.1896 259.8628 89.1892 184.9315 92.8705 71.8789 165.8940 289.7727 298.2262 248.0392 401.9476 732.1937 165.9506 369.8031 130.7847 310.4449 531.2712 236.5385 251.8619 122.2222 399.8660 260.7076 308.6218 450.4823 107.3620 400.0000 398.0000 376.0000 286.0000 344.0000 434.0000 1-monostearin 313.5849 128.0048 91.5875 386.2092 154.8448 257.7543 407.2848 181.2977 219.9170 256.5789 249.4845 277.1848 290.6675 437.4568 281.0651 256.3360 205.4020 270.1930 611.4435 289.4737 157.8450 215.7464 203.8835 286.5169 176.5328 739.4068 88.1073 424.7543 314.6525 295.8042 453.5124 265.5936 521.3675 372.5618 226.7559 133.9286 235.8168 299.1941 330.6709 952.9533 214.0000 312.8571 160.2972 217.4721 279.3164 187.1593 341.5094 121.7228 429.7352 330.0781 341.7317 375.4777 301.6140 281.8182 406.7086 941.4226 271.1313 500.7057 281.8792 317.7806 490.8920 1287.3711 2836.2910 344.8276 479.0382 423.9130 276.3975 605.6911 474.3675 353.2389 477.4882 240.9060 370.2341 315.5275 161.3508 449.9100 264.8126 1093.8134 1960.2273 400.4569 363.1285 322.0503 307.4614 573.6486 738.6986 422.1388 209.9622 346.6887 981.8182 863.6364 846.0784 327.4009 1521.3675 1305.0483 305.2516 892.3541 313.3462 410.9449 611.5385 695.6669 482.4074 1087.0730 1513.0354 134.2260 1642.7653 107.3620 218.0000 370.0000 294.0000 175.0000 275.0000 410.0000 2_3-dihydroxypyridine 112.0755 81.1298 102.7815 120.2446 123.4959 94.9132 23.8411 105.9160 120.3320 95.5679 94.8454 53.0354 24.3033 104.6994 105.5227 34.7574 93.2789 144.7462 155.9461 133.6842 75.6144 168.7117 179.9584 85.2611 112.0507 139.8305 83.7563 110.5651 74.2016 58.7413 106.4050 78.4708 95.0855 22.4317 110.3679 112.5000 107.6555 132.9752 31.6294 92.7198 49.0000 40.0000 108.2803 123.7918 82.2039 70.8661 78.3019 90.8240 116.0896 99.6094 99.0064 14.3312 42.3672 155.5556 66.0377 88.9121 80.9493 104.7989 106.7114 99.3064 108.3543 144.0077 162.3780 67.0498 86.0049 93.9898 95.2381 104.6748 108.8549 102.2267 123.2227 60.7412 85.2843 71.6656 81.6135 138.5723 128.7787 141.4807 35.0379 68.5379 95.9032 107.3501 155.6604 101.3514 121.2329 125.2345 129.5712 151.9868 177.2727 178.4922 100.0000 99.7314 68.3761 227.1751 123.6324 101.6097 150.8704 112.1686 193.8462 117.8064 68.5185 123.5767 96.8343 30.3723 111.8971 129.8569 25.0000 114.0000 115.0000 38.0000 41.0000 102.0000 2_5-dihydroxypyrazine NIST 285.2830 134.3149 281.8860 307.7446 427.4858 428.9702 1964.9007 624.0458 254.1494 125.6925 419.5876 885.5904 1092.6766 1102.9717 882.6430 273.7147 349.5603 625.0893 232.2363 233.6842 312.8544 170.7566 404.6463 106.0806 1405.9197 1204.4492 919.1443 409.0909 1056.6688 336.7133 725.2066 189.1348 728.6325 783.1599 1216.0535 605.3571 711.5516 495.6347 2471.8850 1826.5797 1155.0000 685.7143 165.6051 442.7509 616.0872 941.2477 1700.9434 459.7378 1680.2444 642.5781 1858.7651 1135.9873 870.5447 119.1919 179.2453 161.0879 1303.9662 992.9428 1018.7919 447.3518 1135.3643 1009.0206 449.8669 728.9272 2099.2602 517.9028 1171.8427 544.7154 561.2517 264.1700 110.1896 734.0426 397.3244 657.9297 460.6004 308.6383 1328.5973 969.0669 409.0909 590.4047 1121.0428 1526.1122 993.1389 864.5270 1735.2740 1879.9250 999.6847 918.8742 415.9091 3654.1020 1020.5882 3803.8952 1622.5071 467.2395 531.7287 615.6942 613.1528 6315.0918 669.2308 1321.2593 259.2593 203.9518 205.7728 565.3168 85.8521 2474.4376 107.0000 126.0000 114.0000 155.0000 154.0000 145.0000 2-deoxytetronic acid NIST 369.0566 243.3894 370.4206 257.8125 391.3870 226.1166 682.4503 754.7710 279.0456 304.3629 252.5773 270.1801 410.2398 425.0173 492.1105 336.7125 349.5603 344.1744 252.4308 264.2105 366.7297 335.3783 325.5895 441.1765 491.5433 670.5508 519.9420 725.1229 576.7063 190.9091 769.6281 446.6801 429.4872 411.5735 393.3110 437.1429 316.8148 380.7925 371.8850 322.4588 653.0000 615.7143 260.0849 308.9219 291.6912 669.5942 540.5660 491.5730 374.7454 404.2969 469.4819 353.5032 696.0323 185.8586 334.3816 310.6695 226.2679 403.3169 297.9866 215.6368 497.4874 476.4820 319.4321 282.5670 442.9716 458.4399 287.7847 268.2927 278.6285 402.8340 394.5498 278.9979 297.9933 263.7691 324.5779 356.3287 319.2261 451.8256 431.8182 306.4621 559.5903 514.5068 512.0069 409.4595 519.8630 609.2871 433.1652 616.8874 400.5682 882.4834 339.2157 415.0437 603.9886 634.8013 366.5208 404.4266 700.1934 407.8858 510.0000 324.9831 298.1481 264.2331 229.9814 531.0255 499.6785 384.4581 1004.0000 977.0000 930.0000 891.0000 908.0000 1376.0000 2-hydroxybutanoic acid 1744.5283 563.4014 1899.9322 815.2174 1223.5592 1539.0819 9843.3775 9789.1221 1286.3071 542.2438 1132.9897 784.5230 1456.2541 2091.9143 1412.2288 2350.4707 1765.7035 613.2952 1694.0912 908.4211 362.9490 467.2802 2577.6699 1033.0469 936.5751 6105.9322 1275.9246 2110.8722 7440.8265 1896.5035 6009.2975 7754.5272 2458.3333 1877.4382 3891.9732 2226.4286 3277.8537 1549.3620 2057.8275 3214.2857 3798.0000 7110.0000 785.5626 1212.2677 1533.5887 2020.5936 1749.0566 2698.5019 1063.1365 11423.8281 2930.8020 3287.5796 6358.1036 1385.8586 742.1384 2300.2092 1892.0676 2165.8433 1585.5705 1857.5032 930.9045 1403.3505 1844.7205 1147.5096 3083.2306 2995.2046 1451.3458 1554.8780 809.9201 3593.1174 791.4692 1205.5594 965.2174 810.2190 2863.0394 1367.7265 2052.2975 1646.0446 1661.9318 1886.7493 2922.7188 4245.6480 1889.7942 579.7297 5936.3014 10532.3640 1168.0328 2581.7881 2957.3864 5270.5100 3453.9216 2648.4218 13841.8803 1018.2599 1398.2495 2626.7606 2228.2398 2671.6519 3390.0000 865.2674 1096.2963 2830.2076 2447.8585 4993.7949 2568.8103 3458.0777 11729.0000 10545.0000 12135.0000 12038.0000 12111.0000 16412.0000 2-hydroxyglutaric acid 120.0000 99.1587 149.5929 139.6060 95.9468 150.7444 143.0464 43.8931 102.6971 129.8476 145.3608 47.0314 270.2528 123.3587 126.2327 131.4265 183.7312 124.3746 164.9215 92.6316 81.2854 101.2270 120.6657 111.0377 164.9049 167.3729 169.6882 79.2383 95.8046 143.7063 172.5207 117.7062 137.8205 133.6151 205.6856 154.2857 97.4026 139.0195 116.9329 141.1401 103.0000 208.5714 123.1423 123.7918 53.0348 107.2078 193.3962 126.4045 133.4012 192.3828 124.5564 125.1592 282.4479 129.2929 161.4256 102.5105 51.6905 105.8574 190.2685 166.4565 124.3719 86.0180 232.9193 169.5402 248.7670 109.3350 175.9834 86.3821 134.8202 194.3320 136.2559 212.0796 115.3846 182.1500 144.4653 136.7726 38.0895 42.5963 219.6970 185.0522 143.3892 144.1006 213.5506 143.9189 116.0959 129.4559 153.2156 334.7682 165.3409 465.6319 168.6275 141.0343 176.6382 80.5585 126.9147 36.2173 66.7311 182.5289 176.5385 149.2891 137.9630 139.6517 133.1471 88.1777 135.0482 139.0593 18.0000 135.0000 172.0000 145.0000 99.0000 151.0000 2-ketoisocaproic acid 782.2642 904.1466 921.9810 826.4266 710.5763 706.2655 7128.4768 1815.8397 1250.0000 705.3324 917.5258 836.5577 799.0927 928.8182 1141.0256 1070.9631 995.9171 474.9821 877.3373 1216.8421 932.8922 886.5031 717.7531 1014.2102 1274.8414 6159.9576 810.3698 1192.2604 1265.1847 1096.1538 1332.6446 5396.3783 1368.5897 1116.7100 861.8729 936.4286 2020.8476 1210.8798 2180.5112 789.1484 1126.0000 842.8571 867.3036 1579.1822 2817.0301 4528.1647 1266.0377 928.8390 1010.1833 1366.2109 1275.3726 1058.5987 1053.1271 1021.2121 669.8113 837.8661 807.5423 1077.6288 1035.9060 808.6381 835.7412 581.8299 1336.2910 636.0153 1010.7891 1486.5729 746.3768 762.1951 737.0173 1361.3360 887.4408 821.5511 705.3512 665.8925 928.7054 978.1044 1012.0919 2196.7546 553.9773 752.9373 1073.5568 1913.9265 1880.7890 1151.3514 1308.9041 1799.7186 938.2093 1491.0596 1476.1364 7239.4678 1132.3529 1028.5426 2505.6980 1466.1654 2494.5295 788.7324 1463.2495 860.6390 1194.2308 1014.5565 782.4074 948.4260 761.6387 2421.9464 760.1286 1259.7137 5612.0000 4558.0000 5253.0000 5561.0000 5718.0000 7411.0000 3-hydroxybutyric acid 7935.8491 2100.3606 11699.7965 539.0625 1644.3952 6659.7395 78296.0265 31065.8397 551.8672 920.3601 1918.5567 763.5090 4060.5962 2143.7457 271.2032 9867.8494 5045.5402 728.0200 525.0561 2709.4737 465.9735 1525.5624 484.7434 576.0079 7895.3488 11085.8051 589.5577 3878.9926 13828.7414 1560.8392 25285.1240 18280.6841 1134.6154 2491.8726 6928.0936 3276.4286 1389.2686 3587.3069 2617.5719 7371.2225 15850.0000 9222.8571 305.7325 1999.6283 4385.0913 5090.5512 5236.7925 4599.2509 1641.5479 25038.0859 7363.7331 1647.1338 19150.9751 1156.5657 1592.2432 3764.6444 5653.7711 9733.5921 2598.3221 8329.4451 519.1583 619.5232 2459.6273 1042.1456 6918.3107 1848.1458 810.5590 3200.2033 238.6818 12923.0769 332.9384 2389.4990 493.6455 1562.7074 10242.9644 372.5255 547.7630 6710.4462 785.9848 2079.6345 3692.7374 6749.5164 551.8868 781.4189 8129.7945 28756.0976 293.1904 6721.1921 1641.4773 37149.6674 5254.9020 8834.7884 19015.6695 122.4490 2060.1751 2950.7042 5891.6828 9665.8736 4908.4615 665.1997 362.0370 7767.2472 544.6927 19455.9112 11797.4276 12452.9652 2691.0000 2279.0000 3247.0000 2641.0000 3225.0000 3443.0000 3-phosphoglycerate 227.5472 100.9615 425.3731 151.8342 131.0956 78.1638 108.2781 235.6870 158.7137 117.3823 119.5876 325.2168 383.0201 100.5529 89.7436 213.9754 167.7136 197.2838 131.2640 153.6842 220.2268 167.6892 130.0277 117.9775 142.7061 280.7203 251.2690 117.9361 154.9781 105.9441 105.3719 232.3944 96.1538 128.7386 169.5652 109.2857 103.5543 155.1377 559.7444 171.0165 366.0000 270.0000 163.4820 138.2900 313.7890 116.2932 556.6038 111.4232 244.3992 228.5156 467.3527 98.4076 291.5266 91.9192 104.8218 189.3305 190.1821 214.8906 223.4899 168.3480 123.4296 44.4588 154.3922 154.2146 624.2293 160.1662 267.0807 95.5285 31.9574 319.8381 119.6682 232.6699 147.4916 100.5309 183.8649 79.1842 102.4788 296.6531 268.9394 156.6580 158.2868 770.7930 87.4786 221.9595 348.2877 448.8743 97.4149 135.0993 288.0682 235.0333 267.6471 521.8267 207.9772 220.7304 171.7724 522.1328 114.1199 645.4793 185.7692 85.3081 100.9259 281.3128 77.2812 114.6310 142.7653 744.3763 100.0000 148.0000 115.0000 115.0000 81.0000 134.0000 5-aminovaleric acid 134.7170 118.9904 87.5170 104.9592 90.2470 87.4690 218.5430 80.1527 125.5187 143.3518 101.0309 119.0794 111.7952 160.6773 137.0809 81.4627 91.3945 120.0858 90.8751 176.8421 152.1739 102.2495 101.9417 121.9432 118.3932 116.5254 106.5990 126.2285 103.3187 130.0699 196.2810 95.5734 74.7863 101.4304 119.3980 135.0000 114.8325 91.6723 97.7636 98.9011 171.0000 142.8571 159.2357 136.0595 96.3465 165.3543 124.5283 113.2959 91.6497 112.3047 146.9127 86.9427 102.8917 97.9798 267.2956 106.6946 176.5280 616.0903 164.0940 149.4325 460.7412 1514.4974 102.4845 93.8697 242.2935 132.3529 504.1408 1475.6098 249.6671 422.0648 123.2227 321.2080 495.6522 306.5693 270.1689 116.9766 193.1681 509.6349 290.7197 124.3473 76.3501 3058.9942 325.4717 740.8784 93.4932 372.8893 441.6772 134.1060 209.6591 920.1774 306.8627 504.7011 2611.1111 455.9613 1318.3807 233.4004 117.0213 222.2978 396.9231 1293.8389 224.0741 152.7127 129.4227 130.3070 922.1865 468.3027 248.0000 211.0000 379.0000 165.0000 222.0000 405.0000 acetophenone NIST 1110.5660 1628.9062 1344.3012 1217.7310 1986.3838 1022.6427 1177.1523 2119.2748 1404.5643 1009.6953 1401.0309 590.3936 1559.3001 632.3428 975.3452 2284.2143 1826.0050 1384.2030 1302.5430 850.5263 1073.7240 1719.8364 732.3162 697.9511 1880.5497 867.5847 1431.4721 802.5184 1183.4690 971.3287 991.7355 1434.6076 1303.4188 1092.3277 823.7458 943.9286 1189.3370 1284.4191 1064.8562 1320.7418 762.0000 2090.0000 1980.8917 722.6766 1129.6405 1078.4373 948.1132 1479.4007 1300.4073 1849.6094 712.2072 941.0828 1983.1876 757.5758 1135.2201 2556.4854 792.9129 1199.3649 1620.8054 1850.8827 1011.9347 2172.6804 2745.7853 1047.8927 598.3354 1157.6087 516.5631 1406.5041 684.0879 1555.6680 2023.6967 1099.5196 1218.0602 874.9171 1919.3246 745.9508 770.8585 1947.2617 722.5379 1660.5744 1236.4991 1078.3366 1368.7822 1055.0676 1067.4658 1197.4672 824.7163 1443.3775 1939.7727 1417.9601 1115.6863 1153.4587 3736.4672 3866.8099 1065.6455 996.9819 2752.4178 851.4616 3431.5385 927.2173 975.0000 2000.3349 551.2104 794.5787 1993.8907 881.3906 626.0000 1869.0000 638.0000 772.0000 1022.0000 2599.0000 adenosine 175.4717 74.8197 82.4288 193.6141 122.5459 105.1489 207.6159 875.0000 128.6307 108.0332 158.7629 199.1328 75.8263 267.4499 189.3491 281.3179 130.9673 132.9521 188.4817 129.4737 208.8847 147.2393 142.5104 127.8916 160.6765 478.8136 140.3191 150.1843 456.4809 173.0769 235.5372 633.8028 117.5214 176.5280 319.0635 294.6429 341.4217 575.2183 293.2907 282.2802 111.0000 702.8571 114.6497 215.2416 197.9965 325.2574 200.9434 260.2996 219.9593 115.2344 191.6253 141.4013 891.7283 170.7071 102.7254 174.6862 243.8231 204.3049 196.3087 154.1614 144.1583 130.4768 181.0115 156.1303 136.8681 140.0256 152.1739 889.2276 97.8695 180.1619 167.0616 303.7062 180.6020 271.7319 681.0507 160.1680 175.9371 360.5477 215.9091 138.0548 492.5512 1318.1818 353.7736 783.4459 484.9315 561.4447 267.6545 332.7815 230.1136 492.2395 280.3922 447.2801 2896.0114 238.4533 278.9934 149.8994 144.1006 1015.6356 1104.2308 451.9296 197.2222 146.6845 198.3240 745.5911 132.1543 167.6892 98.0000 64.0000 113.0000 115.0000 79.0000 106.0000 adenosine-5-monophosphate 254.7170 99.1587 162.8223 226.2228 142.4953 636.4764 1479.1391 257.6336 68.4647 171.3989 304.1237 340.2268 498.7038 1034.5542 168.6391 312.8168 266.6457 329.1637 178.3844 249.4737 168.2420 185.0716 560.6796 99.1408 632.1353 431.1441 143.5823 199.0172 896.0551 227.6224 637.3967 1053.3199 508.5470 335.5007 446.4883 285.0000 367.0540 110.8126 917.2524 262.7060 176.0000 365.7143 111.4650 177.3234 273.1291 648.6978 644.3396 198.5019 847.2505 331.0547 1189.1412 218.7898 1312.3739 145.4545 133.1237 163.1799 1099.1547 425.5469 154.0268 102.1438 465.4523 375.9665 286.1579 148.4674 813.8101 170.7161 339.5445 321.1382 353.5286 128.5425 148.1043 245.0240 80.2676 484.7379 305.8161 470.6059 165.0544 232.7586 266.0985 327.0235 851.0242 960.3482 469.5540 668.9189 1243.1507 550.1876 671.5006 846.3576 148.2955 279.3792 135.2941 410.0067 772.0798 211.0634 252.7352 302.8169 390.7157 1066.6213 387.6923 199.0521 66.6667 320.4956 184.3575 161.6590 95.4984 1579.7546 221.0000 157.0000 181.0000 84.0000 109.0000 125.0000 adipic acid 798.1132 346.1538 448.7788 767.3234 664.9778 395.4715 709.2715 462.7863 750.0000 595.2216 262.8866 511.3409 425.7939 530.7533 512.8205 632.1506 699.1206 1053.9671 691.0995 816.8421 487.7127 352.7607 476.4216 574.0251 698.7315 1054.0254 757.0703 502.1499 479.9624 608.3916 711.7769 830.9859 757.4786 755.8518 711.3712 696.4286 920.7109 682.0013 498.4026 431.6621 728.0000 674.2857 483.0149 789.5911 460.5186 652.3319 643.3962 328.6517 412.4236 547.8516 952.8034 606.6879 699.0585 482.8283 454.9266 565.8996 672.9519 585.3917 652.3490 406.6835 486.1809 473.5825 657.4978 529.6935 568.7423 362.5320 574.5342 1090.4472 730.0266 754.0486 761.8483 675.3603 881.9398 992.3689 492.4953 762.1476 649.3349 1115.1116 464.9621 548.3029 446.9274 775.6286 1065.1801 568.5811 710.9589 976.5478 438.8398 525.4967 652.8409 1207.3171 519.6078 755.5406 1042.7350 940.9237 624.7265 632.7968 706.9632 502.7192 630.0000 851.0494 598.1481 1050.9042 527.9330 728.9353 551.7685 714.7239 592.0000 516.0000 551.0000 646.0000 554.0000 640.0000 alanine 10678.8679 4820.0120 14329.3759 21840.6929 14467.0678 21995.6576 33889.0728 46635.4962 10470.9544 7726.4543 22447.4227 19807.2048 63763.1238 41778.1617 22916.1736 12824.4026 16608.3543 27291.6369 14478.3096 13410.5263 11209.8299 9526.5849 12525.3121 5459.6827 23478.8583 54917.3729 33782.0885 22194.1032 25682.2167 16096.1539 45479.3388 32836.0161 16557.6923 29644.0182 49542.1405 23598.2143 24304.5113 14161.8536 59167.0926 20396.2912 69895.0000 49760.0000 12657.1125 10444.2379 40119.0336 29509.3882 28931.1321 21636.7041 24543.7882 52916.0156 41238.8219 53101.9108 25422.3268 13243.4343 17216.9811 24395.3975 38483.0949 39898.7297 33491.2752 37290.9836 30167.7136 48346.9716 28221.8279 25903.2567 56766.9544 57451.7263 47167.7019 47986.7886 24074.9001 39446.3563 4951.4218 40791.3521 18691.3043 47793.9615 30533.7711 24354.5291 35779.6251 64048.1744 55664.7727 16273.8251 34763.5009 62757.2534 31169.3825 44652.3649 48697.6027 103719.5122 31204.9180 33415.2318 22764.2045 378355.8758 35015.6863 114019.1404 162944.4444 35012.3523 42192.5602 57586.5191 34480.6576 77954.1129 98198.0769 67129.3162 30782.4074 41298.7274 25970.2048 37543.1091 40843.4084 99035.7873 230057.0000 219138.0000 229933.0000 244975.0000 223016.0000 269020.0000 alpha-ketoglutarate 105.2830 126.2019 118.0461 116.1685 84.5472 102.3573 124.1722 285.3053 97.5104 78.9474 100.0000 191.1274 92.3526 91.2232 90.7298 215.0615 189.3844 92.2087 133.5079 105.2632 92.6276 95.0920 126.9071 97.1580 136.3636 243.6441 167.5127 54.3612 114.5899 123.7762 173.5537 176.0563 85.4701 140.4421 115.3846 168.2143 151.7430 148.0860 169.6486 172.0467 165.0000 155.7143 101.9108 151.6729 177.6665 200.7874 261.3208 129.2135 93.6864 171.8750 174.5919 142.3567 168.4600 102.0202 150.9434 93.0962 225.2926 133.3804 120.8054 146.5952 101.7588 108.2474 208.9618 90.0383 137.7928 123.7212 113.8716 105.6911 109.8535 394.7368 95.9716 127.6596 103.3445 112.4751 251.4071 102.5795 151.4510 247.9716 208.3333 93.9948 110.8007 190.5222 129.9314 175.3378 203.4247 222.3265 98.3607 129.1391 185.7955 282.7051 158.8235 123.9087 217.9487 235.2309 161.9256 231.3883 165.3772 66.2814 338.0769 108.6662 71.2963 98.4595 108.0074 235.1404 118.6495 116.5644 1526.0000 1018.0000 1542.0000 1248.0000 1075.0000 1421.0000 aminomalonate 127.9245 94.6514 103.7992 172.2147 65.5478 127.4814 288.0795 151.7176 131.7427 65.4432 167.0103 249.1661 264.4200 220.8017 227.8107 180.3041 110.2387 135.0965 107.7038 189.4737 141.7769 138.0368 204.9237 127.8916 125.7928 323.0932 225.1632 152.9484 287.4139 143.7063 390.4959 111.6700 161.3248 165.7997 455.5184 238.9286 130.2119 105.7757 75.7188 236.9505 398.0000 287.1429 123.1423 148.3271 121.0961 174.4397 227.3585 158.2397 289.2057 249.0234 372.6047 267.5159 177.5387 127.2727 83.8574 232.2176 347.2042 173.6062 231.5436 248.7390 177.1357 220.3608 363.3540 197.3180 316.2762 137.1483 142.8571 237.8049 185.7523 194.3320 124.4076 202.8140 143.4783 132.3822 139.7749 126.8746 93.4099 450.3043 376.8939 163.5117 196.4618 355.8994 214.8370 153.0405 316.4384 678.2364 89.8487 229.4702 189.2045 3435.6984 178.4314 419.0732 1880.3419 117.6155 294.3107 340.0402 161.5087 576.1387 418.8462 243.7373 146.2963 319.4910 153.6313 200.8491 202.5723 540.8998 2829.0000 2442.0000 2589.0000 2212.0000 1677.0000 2719.0000 arachidic acid 2158.8679 1081.7308 1573.2700 1618.2065 1326.1558 1462.7792 2438.7417 2108.7786 1360.9959 1844.8753 1621.6495 1336.8913 1300.7129 1642.0180 1557.1992 1847.5742 1140.0754 1796.9979 1258.7883 2829.4737 1295.8412 1567.4847 1162.9681 1203.5691 2026.4271 2189.6186 1964.4670 1618.8575 2642.1415 3521.3287 2194.2149 1986.9215 1070.5128 2056.8921 1923.4114 2413.9286 1814.7642 2072.1961 2623.3227 2133.5852 1782.0000 2452.8571 1478.7686 1979.5539 1614.9087 2016.9594 991.5094 1674.1573 2315.6823 1567.3828 1864.0880 1504.7771 2630.8003 1342.4242 1512.5786 2266.7364 1677.5033 1738.1793 1113.4228 1443.2535 1677.1357 1707.7964 2765.7498 812.2605 2154.7472 1036.7647 1493.7888 1323.1707 1503.9947 1453.4413 1386.2559 2031.2286 1307.3579 1871.2674 1111.6323 686.5627 1019.3470 3179.5132 1581.4394 2579.9608 2068.9013 3947.7756 3055.3173 1784.7973 2763.6986 2487.8049 1109.3947 1852.6490 2427.2727 3797.1175 1488.2353 2427.8039 4820.5128 2743.8238 1696.9365 1723.3400 2438.1044 2111.8287 2156.5385 1697.0210 1581.4815 2596.1152 1169.4600 1319.7257 2005.4662 2138.0368 2494.0000 2777.0000 3358.0000 1921.0000 1730.0000 5274.0000 arachidonic acid 679.2453 253.3053 332.7680 514.6060 341.9886 478.2878 640.7285 997.1374 350.6224 666.8975 700.0000 536.3576 859.3649 703.8701 636.0947 931.9334 300.5653 964.9750 397.1578 490.5263 528.3554 566.4622 305.8252 311.3020 643.7632 1423.7288 667.8753 1078.9312 2121.7909 914.6853 708.6777 1132.7968 714.7436 1532.1847 945.1505 548.5714 920.7109 1093.0154 552.0767 946.7720 1277.0000 1420.0000 348.1953 655.7621 1350.6187 687.7650 848.1132 514.0449 571.2831 944.3359 1030.5181 501.5924 1655.3463 368.6869 574.4235 1571.1297 772.4317 4372.9711 3982.5503 1101.8285 852.7010 8016.1082 1996.4508 506.7050 2002.1578 1927.7494 1362.3188 16067.0732 897.8029 2435.2227 841.2322 1700.7550 2125.0836 628.0690 1532.8330 489.5021 4127.2672 6649.5943 2799.2424 825.3916 1137.8026 12065.7640 890.2230 1789.8649 999.6575 2235.9287 5321.8789 643.7086 1689.2045 6430.1552 2126.4706 1821.3566 64266.3818 725.0269 459.5186 1484.9095 723.4043 7477.5663 3403.8462 7050.1016 1704.6296 5119.8928 1176.9088 387.0020 12160.1286 3309.8160 1654.0000 4228.0000 2060.0000 1704.0000 1685.0000 5911.0000 asparagine 407.5472 172.1755 259.4980 286.3451 216.5928 264.2680 356.6225 719.4656 288.3817 226.4543 319.5876 321.2141 579.3908 434.3469 349.1124 311.7306 259.1080 406.3617 255.7966 331.5789 245.7467 263.8037 250.6935 241.9035 416.4905 356.9915 363.3067 184.2752 382.2793 335.6643 339.8760 768.6117 340.8120 276.9831 537.7926 357.8571 292.2078 393.8885 535.7827 530.5632 722.0000 580.0000 272.8238 337.9182 383.6181 357.9649 492.4528 189.1386 269.8574 804.6875 460.9652 637.2611 305.6490 218.1818 295.5975 209.2050 419.3758 802.3994 422.8188 322.5095 346.7337 395.2964 220.9406 268.1992 927.5586 302.1100 504.1408 546.7480 464.3808 511.1336 286.7299 548.7303 310.0334 234.9038 436.2101 229.4541 494.2563 537.0183 443.1818 420.0392 373.3706 604.4487 464.4082 403.3784 518.8356 1277.6735 488.9660 293.0464 531.8182 5393.5698 600.9804 1195.7690 749.2877 415.6821 438.7309 753.5211 471.9536 1082.9368 820.3846 573.7982 476.8519 615.8741 272.8119 373.2854 374.2765 1113.4969 414.0000 603.0000 610.0000 319.0000 463.0000 602.0000 aspartic acid 1995.8491 722.9567 1380.9362 2404.8913 871.1210 3378.7221 3495.6954 2637.4046 484.4398 1361.8421 1051.5464 2343.5624 3912.8321 2862.1285 1726.8245 1252.3534 821.6080 1780.9149 1473.0740 2126.3158 756.1437 1250.5112 1434.4660 627.5611 3688.1607 5895.1271 1441.2618 2512.5921 3388.8541 928.3217 4440.0826 2792.7565 2686.9658 2119.3108 4347.4916 1191.4286 2782.6384 1924.1101 2756.5495 2187.1566 5213.0000 6807.1429 1338.6412 1369.5167 2050.6777 2721.0781 1913.2075 1276.2172 2017.3116 2006.8359 4607.5231 2318.7898 2116.3416 1383.8384 1300.8386 1412.1339 5413.8492 7293.5780 10276.5101 2906.3682 2105.8417 5581.5077 1629.1038 2534.4828 16908.7546 3343.3504 6481.3665 8583.3333 2939.0812 3033.4008 609.0047 7002.7454 2742.1405 4099.8673 3472.7955 1777.1446 5572.8537 10283.9757 2034.0909 2217.6893 4130.3538 11462.2824 3400.0858 4645.9459 5712.3288 19106.0037 2618.8525 2255.9603 3121.0227 37954.5454 4168.6275 10818.3345 30715.0997 1978.5177 3669.5842 4872.2334 3768.8588 22172.6717 7020.0000 9294.5159 3523.1481 3732.4180 3967.4115 2708.0340 6541.1576 19463.1902 2223.0000 2382.0000 2221.0000 1716.0000 2045.0000 3268.0000 azelaic acid 101.8868 76.6226 79.3758 117.1875 81.6973 78.1638 91.3907 59.1603 124.4813 106.9945 85.5670 122.0814 119.5723 131.6517 68.0473 98.8414 55.5905 114.7248 89.7532 186.3158 66.1626 114.5194 96.7406 91.2095 70.8245 105.9322 152.2843 111.4865 107.0758 153.1469 117.7686 191.1469 63.0342 144.3433 135.4515 93.2143 54.3404 101.7461 46.9649 203.9835 120.0000 102.8571 94.4798 74.7212 82.2039 29.0733 144.3396 17.7903 77.3931 100.5859 170.3336 106.0510 165.4338 105.0505 251.5723 77.4059 261.3784 169.3719 44.2953 181.5889 224.2462 138.2088 97.1606 108.2375 84.1554 61.3811 92.1325 128.0488 210.7190 164.9798 178.9100 135.8957 81.2709 65.6934 50.6567 95.3809 96.1306 206.8966 101.3258 185.0522 78.2123 268.8588 129.9314 96.2838 275.3425 270.1689 139.0290 113.2450 158.5227 365.8537 340.1961 174.2780 152.4217 377.0140 97.3742 239.4366 113.1528 135.6220 147.6923 110.6974 120.3704 176.8252 68.9013 95.0359 66.5595 222.9039 134.0000 122.0000 115.0000 118.0000 153.0000 131.0000 behenic acid 589.8113 328.1250 687.9240 646.0598 372.3876 367.5558 682.4503 685.1145 720.9544 506.9252 386.5979 386.2575 487.0382 694.5404 494.0828 528.9645 665.2010 660.4718 742.7076 874.7368 562.3819 445.8078 588.7656 477.8586 434.4609 695.9746 479.6954 761.0565 583.2812 1066.7832 572.3140 535.2113 699.7863 554.9415 921.0702 621.4286 815.1059 551.0410 862.6198 494.5055 569.0000 740.0000 453.2909 504.0892 406.5999 401.5748 780.1887 367.9775 577.3931 872.0703 580.1987 727.0701 903.8332 631.3131 400.4193 566.9456 433.0299 801.3409 585.9060 903.2156 389.1332 758.6985 1291.0382 470.3065 818.4340 710.6777 648.0331 818.0894 389.4807 497.9757 790.2844 448.8675 762.5418 557.3988 743.9024 326.6347 580.4111 690.6694 533.1439 593.3420 555.8659 896.5184 810.4631 530.0676 691.4384 876.6417 765.1324 503.6424 618.7500 730.5987 717.6471 509.7381 2061.2536 908.7003 447.4836 813.8833 772.7273 1016.6553 662.3077 534.1909 447.2222 688.2117 405.0279 412.4755 566.2379 609.4070 689.0000 877.0000 760.0000 400.0000 526.0000 1003.0000 benzoic acid 1906.4151 2184.1947 3856.8521 1676.2908 2339.7720 2984.1811 2436.7550 5362.5954 3316.3900 2401.6620 2728.8660 2580.7205 5163.9663 2225.6393 1713.0178 3689.7176 2870.9171 1810.9364 1602.0942 1853.6842 1487.7127 2126.7894 2147.0180 1736.9465 1946.0888 3987.2881 1774.1117 1825.2457 1780.8391 1713.9860 3058.8843 2388.3300 1912.3932 1863.7841 3120.4013 2568.2143 1788.1066 1434.5198 2692.3323 1686.4698 3902.0000 8525.7143 3446.9214 1976.2082 1740.4243 2134.1611 2063.2075 2424.1573 1589.6130 7339.8438 4039.0348 2448.7261 4465.7028 2129.2929 1678.1971 2361.9247 2705.4616 2047.2830 5760.4027 4666.4565 1982.4121 2414.3041 4296.3620 2470.3065 2395.1911 3319.3734 3465.8385 6454.2683 2242.0107 4538.4615 3334.1232 1823.2670 1737.7926 2357.9960 3647.2796 3177.2645 1590.6892 2409.7363 2584.2803 6142.9504 1860.3352 2001.9342 3182.6758 1785.8108 2611.6438 4056.7542 2436.3178 2119.8675 2486.9318 4967.8492 1767.6471 3069.5097 13676.6382 4641.7830 4173.9606 2531.1871 3145.0677 2710.4011 9853.8462 2730.8734 1910.1852 3292.3644 2393.8547 2169.1705 3312.5402 3837.4233 11015.0000 12697.0000 9975.0000 10590.0000 10217.0000 20766.0000 beta-alanine 187.9245 153.2452 133.3107 337.2962 248.8917 75.3722 489.7351 191.7939 139.0041 226.4543 123.7113 263.1755 305.2495 154.4575 300.7890 177.0456 114.0075 259.4711 192.9693 244.2105 129.4896 75.6646 73.8558 86.2525 295.9831 237.2881 156.6352 108.7224 170.9455 271.6783 360.5372 161.9718 285.2564 145.3186 539.7993 336.4286 222.4880 117.8643 499.3610 214.2857 266.0000 171.4286 199.5754 89.2193 144.0778 348.8795 647.1698 136.7041 102.8513 353.5156 132.0085 202.5478 177.5387 156.5657 193.9203 98.3264 171.6515 153.4933 170.1342 278.0580 216.7085 146.9072 224.9335 219.3487 265.4131 134.2711 327.1222 299.7967 80.8921 142.7126 107.8199 246.0535 181.6054 199.0710 48.7805 80.9838 143.2890 365.1116 181.8182 158.6162 160.1490 252.4178 189.1081 436.8243 407.8767 509.3809 211.8537 386.4238 180.6818 1125.2772 252.9412 471.4574 407.4074 272.2879 373.0853 337.0221 212.7660 645.4793 184.6154 174.6784 129.6296 101.4735 94.0410 204.7681 126.3666 400.8180 628.0000 547.0000 284.0000 430.0000 222.0000 1008.0000 capric acid 74.7170 274.9399 401.9674 151.8342 230.8423 334.0571 176.8212 245.2290 391.0788 341.7590 284.5361 180.1201 277.0577 185.5563 139.0533 399.7104 340.1382 216.5833 172.7749 233.6842 135.1607 179.9591 222.6075 175.4792 236.7865 408.8983 288.2524 186.1179 199.1234 40.9091 228.3058 156.9416 176.2821 280.8843 320.0669 259.2857 299.3848 133.9825 166.7732 121.5659 351.0000 698.5714 378.9809 235.3160 129.0513 242.5803 207.5472 197.5655 124.2363 597.6562 745.2094 565.6051 470.0740 245.4545 188.6792 283.4728 261.3784 200.0706 566.7785 345.2081 293.0276 189.4330 413.9308 120.6897 171.0851 325.1279 307.4534 666.6667 199.7337 312.7530 437.2038 140.0137 70.2341 450.8958 168.8555 312.2376 288.3918 322.5152 151.5152 734.3342 309.1248 195.3578 838.7650 166.2162 165.4110 427.7674 266.7087 250.3311 294.8864 208.4257 119.6078 382.8073 1603.9886 370.5693 580.9628 409.4567 252.4178 416.0435 575.7692 288.4225 222.2222 508.3724 256.0521 145.9830 291.3183 205.5215 369.0000 566.0000 288.0000 395.0000 384.0000 906.0000 caprylic acid 695.0943 871.6947 1413.5007 570.6522 824.5725 1084.9876 974.5033 992.3664 1254.1494 1027.3546 1391.7526 983.6558 817.5632 709.0532 711.0454 1213.2513 1221.1055 644.3888 523.9342 860.0000 766.5406 856.8507 985.0902 921.0178 788.5835 1373.9407 1121.4648 591.5233 911.0833 752.0979 1084.7107 943.6620 697.6496 892.3927 1557.1906 1227.8571 904.3062 495.6347 945.0479 705.7005 1427.0000 1481.4286 1213.3758 671.3755 749.5580 759.5397 839.6226 751.8727 610.9980 1512.6953 1449.9645 916.2420 1310.3564 835.3535 609.0147 1152.7197 1398.5696 997.1771 1605.7047 1094.2623 554.9623 729.7036 1191.2156 449.2337 1113.4402 1104.8593 1673.9130 1454.2683 1116.5113 779.3522 1869.6682 840.0824 664.2140 1433.3112 832.0826 1271.4457 811.6687 1160.7505 701.7045 2526.1097 908.7523 719.5358 1202.8302 931.4189 1003.7671 1540.8068 921.1854 1105.6291 1099.4318 1366.9623 758.8235 1373.0692 2814.8148 1636.9495 1456.2363 794.7686 592.8433 1059.4833 1729.6154 1423.8321 704.6296 1136.3027 1125.6983 674.0692 875.8842 884.4581 990.0000 1973.0000 907.0000 802.0000 954.0000 3551.0000 cholesterol 11805.2830 4697.4159 17959.2944 22412.3641 13119.0627 16615.3846 29652.3179 24948.4733 6414.9378 15449.7922 10644.3299 14725.8172 23058.9760 22052.1769 29911.2426 40365.3150 13261.6206 27606.8620 20578.1601 16783.1579 8960.3025 10679.9591 11048.1969 10065.7634 25209.3023 34497.8814 17312.5453 16750.6142 56467.4390 18854.8951 27532.0248 38756.5392 22739.3162 32358.2575 41899.6655 21819.6429 42132.2625 34391.2021 43234.5048 42630.4945 14534.0000 47757.1429 6759.0234 17313.0111 32073.6594 35064.2035 25511.3207 17248.1273 31381.8737 12033.2031 31448.8999 17312.1019 32386.6846 3202.0202 7219.0776 23800.2092 33994.7984 25498.9414 26401.0067 17537.5158 24640.7035 36315.0773 37229.8137 11213.6015 21637.1763 22176.7903 30412.0083 23958.3333 29750.3329 44722.6721 14081.7535 28768.7028 27595.9866 20933.3112 20442.7767 12770.2460 25271.4631 51004.5639 30125.9470 27159.5953 44741.1546 38061.8956 47297.5986 40344.9324 39748.9726 45257.5047 19793.1904 40064.9007 63695.4546 43064.3015 38909.8039 24961.0477 39424.5014 32495.7035 28554.7046 32927.5654 26061.8956 32381.0333 42175.3846 29327.6913 28441.6667 34609.5111 33988.8268 31024.8204 27853.6977 40598.1595 18350.0000 15987.0000 22649.0000 17631.0000 22689.0000 24999.0000 cis-gondoic acid 73.5849 79.3269 88.5346 106.9973 120.6460 128.4119 125.1656 74.4275 151.4523 113.2271 209.2784 99.0660 186.6494 112.9924 100.5917 161.8392 83.8568 265.9042 42.6328 116.8421 34.0265 44.9898 56.1720 110.0463 312.8964 114.4068 85.9318 93.9803 461.1772 268.5315 212.8099 151.9115 94.0171 248.6996 112.3746 310.7143 158.9200 413.0289 308.6262 227.6786 106.0000 187.1429 94.4798 150.5576 68.0613 235.3119 70.7547 156.3670 163.9511 266.6016 194.8190 127.0701 437.7942 52.5253 100.6289 108.7866 241.8726 119.6189 111.7450 91.7402 65.9548 86.0180 323.4250 150.3831 196.9790 55.6266 215.3209 69.1057 109.8535 30.3644 156.3981 408.7165 44.1472 204.0478 103.1895 82.7834 68.0169 214.5030 101.3258 277.0888 303.5382 542.5532 104.2024 309.1216 296.9178 140.7129 138.0832 206.6225 138.0682 17.7384 70.5882 151.1081 508.5470 133.7272 137.8556 91.5493 108.3172 215.1598 246.9231 108.6662 58.3333 296.3831 156.4246 108.7524 247.9100 150.3067 82.0000 124.0000 62.0000 83.0000 93.0000 75.0000 citric acid 1003.0189 341.6466 3423.3379 841.7120 399.9367 1590.2605 2302.6490 3385.4962 367.2199 1215.3740 512.3711 2777.8519 2561.5684 1660.6773 737.6726 962.3461 645.4146 1273.7670 672.0269 218.9474 539.6975 393.6605 541.9556 361.8638 1546.5116 4077.3305 1003.9884 1543.3047 1417.3450 946.1538 2068.1818 1086.5191 1037.3932 595.9038 3839.7993 913.9286 761.7908 1103.0893 2086.5815 601.6484 3146.0000 2831.4286 483.0149 569.8885 1720.0943 1386.4325 4408.4906 444.7566 1179.2261 2525.3906 4655.4294 1588.8535 2953.5978 628.2828 610.0629 481.1715 2377.7633 2706.7749 1689.2617 1571.8789 1383.1658 914.3041 275.5102 714.5594 3252.4661 1500.0000 3078.6749 789.6341 2179.0945 1878.5425 398.1043 3067.9478 756.5217 1275.0498 2590.9944 2380.9238 927.7509 955.3753 2929.9242 806.7885 2394.7858 4664.4101 1797.1698 1648.9865 2874.6575 7830.6754 2992.4338 2993.0464 942.6136 1035.4767 1192.1569 8760.2418 4579.7721 837.8088 2584.2451 2806.8410 1327.8530 8545.2073 2113.8462 495.5992 837.0370 6323.5097 652.7002 4223.7100 579.7428 5062.3722 18423.0000 18199.0000 19981.0000 16671.0000 13561.0000 27569.0000 citrulline 227.5472 96.4543 124.1520 200.7473 132.9956 261.4764 286.0927 250.0000 84.0249 238.9197 169.0722 254.1694 256.6429 372.1493 174.5562 139.0297 167.7136 287.3481 246.8212 197.8947 120.9830 151.3292 147.7115 151.6854 310.7822 316.7373 158.8107 240.4791 307.1384 230.7692 265.4959 329.9799 236.1111 279.9090 531.7726 238.9286 178.4005 314.3049 160.0639 309.0659 491.0000 518.5714 193.2059 126.0223 317.3247 380.6784 299.0566 206.9288 238.2892 270.5078 358.7651 467.1975 297.5790 245.4545 253.6688 312.7615 349.1547 662.6676 258.7248 204.2875 332.6005 286.0825 296.8057 347.7011 466.0912 358.6957 471.0145 332.3171 240.6791 161.9433 151.6588 524.0220 225.7525 202.0571 228.8931 139.4721 199.5163 387.9310 456.4394 149.8042 248.6034 711.7988 302.3156 246.2838 353.4247 548.7805 209.9622 133.1126 294.8864 852.5499 283.3333 446.2727 1029.9145 359.2911 324.9453 382.2938 208.8975 550.6458 346.1538 356.4658 377.7778 260.2143 198.3240 297.8445 436.9775 807.7710 831.0000 874.0000 1165.0000 742.0000 774.0000 1521.0000 conduritol-beta-epoxide 100.7547 78.4255 65.1289 105.9783 88.3471 83.7469 109.2715 67.7481 87.1369 102.8393 121.6495 99.0660 128.3215 102.6261 84.8126 120.5648 80.0879 73.9814 139.1174 143.1579 58.6011 77.7096 140.4300 74.3556 106.7653 198.0932 122.9152 136.3636 110.8328 89.1608 103.3058 87.5252 142.0940 117.0351 120.4013 115.7143 86.1244 89.6575 76.6773 154.5330 241.0000 142.8571 121.0191 131.5985 79.5522 149.0006 147.1698 87.0787 66.1914 127.9297 137.3314 146.1783 98.8568 135.3535 84.9057 99.3724 85.8257 331.3338 161.0738 68.0958 48.9950 89.8840 125.1109 158.0460 383.7855 90.1535 482.4017 178.8618 110.8522 133.6032 82.9384 246.0535 200.6689 75.6470 99.4371 122.3755 82.5272 149.0872 109.8485 93.0157 84.7300 47.3888 106.7753 129.7297 121.2329 121.0131 70.9332 104.3046 132.9545 480.0443 168.6275 313.2975 198.0057 146.6165 158.6433 140.8451 71.5667 88.7152 65.7692 123.8998 94.4444 64.3001 89.3855 102.8739 95.4984 264.8262 323.0000 145.0000 210.0000 306.0000 182.0000 382.0000 creatinine 2791.6981 2354.5673 1511.1940 4406.2500 4064.9145 1899.1935 15686.4238 4439.8855 3076.7635 975.4155 3135.0515 2796.8646 9027.2197 5170.6980 3270.2170 2251.6293 8628.7688 5665.4753 1347.4196 1365.2632 2396.0302 1750.5112 4210.8183 896.2327 4491.5433 5501.0593 6791.8782 2138.5135 7354.4145 3657.6923 6573.3471 767.6056 2342.9487 4757.4772 9596.9900 4688.5714 5419.6856 1673.2707 12399.6805 7429.9451 7324.0000 3128.5714 1721.8684 4922.6766 3710.6659 9854.9364 6505.6604 5875.4682 10264.7658 5807.6172 6608.9425 9758.5987 6629.4553 916.1616 1383.6478 2533.4728 3725.6177 4527.5229 9258.7248 3803.9092 5050.2513 4488.4021 2339.8403 5492.3372 8318.4340 2176.1509 3004.1408 4603.6585 1377.1638 2760.1215 1034.3602 5275.2231 1862.2074 2384.8706 3789.8687 3567.7864 1450.1209 7798.1744 4736.7424 2918.7337 3996.2756 6723.4043 4074.1852 4198.9865 14208.9041 11427.2983 4131.1475 3560.2649 2030.1136 32842.5721 4855.8824 16886.8368 12027.0655 3931.2567 4031.7287 5663.9839 3788.2012 17194.4256 7340.7692 4037.9147 1276.8519 1773.2753 1155.4935 1573.4814 2410.6109 6289.3661 3947.0000 5689.0000 7604.0000 5070.0000 7820.0000 9622.0000 cysteine 544.5283 110.8774 362.2795 279.2120 123.4959 166.5633 691.3907 357.8244 634.8548 98.6842 607.2165 125.0834 305.2495 729.7858 342.2091 880.8834 642.5879 164.0457 125.6545 128.4211 130.4348 74.6421 325.5895 55.5188 443.9746 396.1864 196.8818 492.0147 417.0319 122.7273 1063.0165 66.3984 460.4701 592.0026 707.3579 233.5714 270.6767 181.3298 1107.0288 787.0879 858.0000 375.7143 305.7325 163.9405 457.8668 351.6051 1147.1698 202.2472 326.8839 480.4688 166.0752 778.6624 137.1890 181.8182 356.3941 616.1088 618.3355 270.9951 141.9463 146.5952 468.2789 158.5052 131.7657 117.8161 429.0999 271.4194 372.6708 183.9431 286.6178 243.9271 195.4976 213.1091 266.8896 392.1699 156.6604 1143.6713 293.8331 841.2779 580.4924 295.6919 747.6723 312.3791 466.9811 804.7297 1393.1507 704.9719 343.3165 1224.8344 286.3636 15237.2506 803.9216 1445.6011 1039.8860 211.0634 182.7133 1819.9195 387.8143 2497.2808 353.0769 449.8984 394.4444 181.8486 437.6164 451.6656 145.6592 1031.6973 597.0000 695.0000 498.0000 287.0000 431.0000 812.0000 cystine 133.5849 79.3269 74.2877 198.7092 76.9474 99.5658 482.7815 153.6260 124.4813 204.6399 121.6495 178.1187 125.4051 357.6365 169.6252 95.5829 71.6080 214.4389 376.9634 115.7895 165.4064 108.3845 114.4244 114.0119 254.7569 364.4068 108.7745 509.5209 330.6199 127.9720 170.4545 596.5795 164.5299 712.9389 885.9532 162.8571 257.3479 98.7240 122.6837 294.6429 1653.0000 307.1429 126.3270 95.9108 202.4160 303.4525 125.4717 126.4045 123.2179 223.6328 88.3605 88.8535 112.9792 211.1111 284.0671 88.9121 485.6957 288.9908 82.5503 102.1438 287.3744 62.8222 73.2032 65.1341 246.9174 124.6803 391.3043 102.6423 310.5859 150.8097 77.0142 252.2306 329.0970 340.4114 82.5516 126.8746 242.1403 565.9229 964.9621 105.7441 496.2756 397.4855 295.8834 330.4054 439.7260 674.0150 182.5347 211.5894 530.1136 1696.2306 552.9412 793.8214 333.3333 132.1160 199.1247 368.2093 139.2650 198.8443 251.5385 422.4780 138.8889 229.0690 635.9404 322.3383 105.1447 634.9693 2130.0000 540.0000 2522.0000 2047.0000 2132.0000 822.0000 cytidine-5-monophosphate NIST 270.5660 72.1154 89.5522 388.2473 114.9462 120.9677 367.5497 690.8397 72.6141 208.7950 161.8557 576.3843 550.2268 500.6911 525.6410 294.3519 83.8568 180.1287 182.8721 187.3684 195.6522 157.4642 135.2288 86.2525 482.0296 238.3475 214.2857 219.2875 608.6412 231.8182 493.8017 229.3763 264.9573 502.2757 500.6689 377.1429 469.5830 302.2163 664.2173 1275.4121 201.0000 137.1429 218.6837 308.9219 531.2316 264.3852 389.6226 573.9700 507.1283 299.8047 420.5110 321.9745 342.9724 125.2525 186.5828 350.4184 182.3797 252.9993 301.0067 242.1185 291.1432 419.4588 381.9876 246.1686 209.0012 208.1202 218.4265 423.7805 234.6871 207.4899 190.7583 188.4008 366.2207 261.7784 368.6679 80.9838 288.3918 797.1602 1174.2424 269.2559 378.9572 471.9536 738.4220 540.2027 1167.1233 818.9493 736.7591 398.3444 692.0455 1355.8758 927.4510 571.1887 514.2450 170.7841 436.5427 315.8954 404.2553 1610.1292 774.2308 469.1943 211.1111 378.7676 193.6685 179.2946 191.9614 582.8221 135.0000 146.0000 255.0000 115.0000 185.0000 292.0000 dehydroabietic acid 319.2453 194.7115 264.5862 179.3478 166.2445 276.3648 200.6623 253.8168 429.4606 177.6316 336.0825 325.2168 237.2003 179.3366 149.9014 222.6647 115.8920 560.7577 146.9708 191.5789 213.6106 188.1391 180.9986 316.2591 183.9323 543.4322 193.6186 475.4300 337.1947 561.1888 610.5372 218.3099 321.5812 549.0897 373.2441 326.7857 154.8189 171.2559 679.5527 187.5000 226.0000 282.8571 174.0977 143.8662 168.8273 238.9461 116.0377 478.4644 541.7515 267.5781 175.6565 473.8854 287.4916 176.7677 211.7400 172.5941 158.9727 200.0706 226.5101 199.5586 242.1482 212.6289 401.9521 215.5172 174.7842 210.0384 258.7992 262.1951 167.7763 285.4251 261.8483 186.3418 339.1304 210.0199 132.2702 171.8656 273.8815 206.8966 342.8030 209.5300 192.7374 347.1954 284.3053 200.6757 245.5479 669.7936 2527.1122 224.5033 1728.4091 446.7849 247.0588 274.0094 370.3704 256.1762 217.7243 147.8873 139.2650 337.5255 856.1538 173.6628 332.4074 273.2753 189.9441 791.6395 286.4952 246.4213 133.0000 180.0000 133.0000 202.0000 184.0000 353.0000 dodecanol 387.1698 198.3173 381.6147 556.3859 182.3939 275.4342 294.0397 311.0687 379.6680 344.8753 311.3402 517.3449 249.8380 267.4499 239.6450 288.9211 298.6809 389.2066 311.8923 546.3158 164.4612 157.4642 363.0374 250.8262 349.8943 442.7966 337.2009 559.2752 359.7370 340.9091 467.9752 274.6479 576.9231 527.6333 302.0067 292.5000 306.5619 398.9255 359.4249 324.5192 338.0000 635.7143 261.1465 469.5167 172.3630 320.7147 407.5472 371.7228 412.4236 227.5391 501.4194 275.1592 305.6490 324.2424 276.7296 271.9665 378.4135 483.7685 408.7248 342.3707 307.1608 341.1727 383.3185 302.6820 370.8385 214.8338 282.6087 307.9268 251.6644 509.1093 247.6303 386.0673 323.0769 464.8308 252.3452 523.6953 279.3229 383.3671 306.8182 170.3655 467.4115 335.5899 647.0840 355.7432 477.7397 386.9606 442.6230 544.3709 502.8409 503.3259 533.3333 327.4009 562.6781 509.1300 350.1094 221.3280 287.2340 261.0469 250.3846 299.5938 262.0370 375.7535 245.8101 271.3912 403.2154 413.0879 233.0000 225.0000 247.0000 215.0000 202.0000 260.0000 epsilon-caprolactam 269.4340 207.3317 228.9688 424.9321 230.8423 226.1166 699.3377 272.9008 187.7593 329.2936 247.4227 245.1634 181.7887 435.3836 340.2367 245.4743 195.9799 186.5618 486.9110 274.7368 403.5917 191.2065 325.5895 261.7317 665.9619 351.6949 183.8289 725.1229 475.2661 263.2867 953.5124 707.2435 588.6752 624.1873 213.7124 350.3571 533.1511 652.7871 710.2236 697.4588 247.0000 331.4286 188.9597 221.9331 429.5816 264.3852 435.8491 154.4944 701.6293 291.0156 288.5025 582.8025 267.3167 214.1414 147.7987 228.0335 309.1678 305.9280 241.6107 207.1248 521.0427 234.8582 461.8456 133.1418 217.3243 347.1867 210.1449 211.3821 221.7044 325.9109 308.0569 315.0309 546.8227 212.0106 195.1220 182.6635 303.8089 661.7647 255.6818 236.9452 720.6704 232.1083 703.6878 661.8243 762.3288 385.5535 272.3834 801.6556 1041.4773 854.7672 571.5686 358.6300 529.9145 412.4597 330.4158 147.8873 180.8511 561.8627 310.3846 312.7962 494.4444 228.0643 393.8547 331.1561 326.0450 289.3661 379.0000 514.0000 326.0000 338.0000 605.0000 463.0000 erythritol 112.0755 73.0168 126.1872 118.2065 171.9443 201.9231 374.5033 506.6794 165.9751 165.1662 89.6907 330.2201 299.4167 355.5632 172.5838 118.3925 139.4472 205.8613 180.6283 131.5789 134.2155 85.8896 174.7573 114.0119 197.6744 279.6610 199.0573 122.5430 336.2555 152.0979 295.4545 163.9839 165.5983 360.8583 265.8863 309.6429 187.6282 156.1451 169.6486 152.4725 427.0000 270.0000 136.9427 167.2862 249.2634 510.5996 238.6792 146.0674 154.7862 421.8750 145.8481 185.3503 286.4829 229.2929 91.1950 154.8117 281.8596 220.1835 237.5839 119.1677 161.1181 367.2680 158.3851 347.7011 298.7053 377.8772 238.0952 215.4472 166.7776 181.1741 116.1137 559.0254 296.9900 171.2011 170.7317 134.9730 223.0955 228.1947 267.0455 241.8407 142.4581 281.4313 207.1184 199.6622 421.2329 527.6735 193.8840 2880.7947 197.7273 940.1330 573.5294 969.1068 433.0484 349.6241 452.9540 322.9376 154.7389 227.3963 223.8462 143.1957 152.7778 232.0831 190.8752 174.3958 168.8103 427.4029 950.0000 1004.0000 944.0000 852.0000 849.0000 1407.0000 ethanolamine 2609.4340 625.6010 839.5522 3515.6250 991.7669 912.8412 6379.4702 1399.8092 846.4730 2515.9280 1483.5052 4310.8739 1816.9151 7066.6897 4749.5069 1288.1970 943.1533 6716.2259 2930.4413 2709.4737 2754.2533 1178.9366 3625.1734 1393.9194 3609.9366 7144.0678 7267.2226 3864.2506 3612.3982 3344.0559 5135.3306 2254.5272 4165.5983 7806.2419 11323.7458 2680.7143 5030.0752 2526.5279 8686.5815 8677.5412 9328.0000 1648.5714 1332.2718 4078.4387 6303.1821 2968.2011 3908.4906 897.9401 768.8391 1085.9375 4177.4308 2882.4841 1418.2919 2644.4444 2736.8973 2355.6485 4527.3082 9533.5215 1441.6107 1222.8878 4651.6960 1929.1237 2092.2804 897.5096 8816.8927 7914.3223 18142.8571 1459.3496 5638.4820 1592.1053 1319.9052 9310.9128 4883.2776 8114.1340 1142.5891 4656.5687 6194.0750 10916.8357 8525.5682 1479.4386 8108.9385 8763.0561 8320.7547 9417.5676 6452.0548 24887.8987 6682.8499 7248.6755 11069.3182 157162.9712 5881.3725 19055.7421 3341.8803 1914.0709 6072.2101 8034.2052 1362.6692 16501.0197 1725.0000 14427.2173 1245.3704 1957.1333 5041.8994 4169.8236 1398.7138 19025.5624 7067.0000 1323.0000 7319.0000 8781.0000 6744.0000 1786.0000 fructose 242.2642 201.9231 295.1153 209.9185 151.0450 244.7270 308.9404 999.0458 196.0581 181.7867 313.4021 201.1341 236.2281 411.5411 209.0730 193.3382 155.4648 212.2945 151.4585 247.3684 217.3913 216.7689 123.7864 213.1527 187.1036 558.2627 374.1842 279.1769 354.1014 355.5944 189.0496 175.0503 510.6838 335.5007 160.5351 223.9286 142.5154 132.9752 203.1949 151.4423 298.0000 580.0000 167.7282 192.9368 128.1674 409.7517 192.4528 188.2022 239.3075 5393.5547 225.6920 199.6815 309.6839 286.8687 626.8344 232.2176 417.4252 452.0113 249.6644 157.9445 180.9045 147.8737 262.2005 383.1418 402.2811 903.4527 379.9172 277.4390 179.7603 311.7409 170.6161 296.4997 236.7893 147.3125 209.1932 153.8692 152.3579 517.2414 251.8939 245.7572 173.1844 205.0290 349.9142 102.3649 283.5616 361.6323 195.7755 331.7881 412.5000 674.0576 292.1569 141.0343 1182.3362 396.3480 219.9125 365.1911 211.7988 219.2386 348.4615 366.6215 262.0370 572.6725 103.3520 216.5251 325.0804 566.4622 8354.0000 26608.0000 9360.0000 8412.0000 6528.0000 40232.0000 fucose 1 139.2453 108.1731 96.6757 95.7880 169.0944 132.1340 151.9868 125.0000 154.5643 118.4211 118.5567 226.1508 125.4051 152.3842 130.1775 215.0615 159.2337 97.5697 109.9476 130.5263 131.3800 128.8344 126.9071 153.6682 158.5624 129.2373 166.4249 103.1941 134.3143 112.2378 128.0992 151.9115 97.2222 141.4174 189.6321 109.2857 135.3383 108.7979 84.3450 128.7775 132.0000 237.1429 117.8344 100.3717 81.3200 139.0067 109.4340 95.5056 224.0326 162.1094 137.3314 133.7580 163.4163 109.0909 109.0147 213.3891 146.2939 127.0289 151.0067 145.6494 117.7764 152.7062 208.9618 94.8276 136.8681 153.4527 51.7598 157.5203 119.8402 71.8623 170.6161 142.0728 66.2207 31.8514 102.2514 104.3791 129.6856 69.9797 136.3636 129.2428 40.0372 158.6074 118.3533 111.4865 128.4247 181.5197 175.9142 170.8609 172.1591 290.4656 50.0000 166.2189 804.8433 145.0054 60.1751 108.6519 129.5938 189.6669 240.0000 196.0054 95.3704 136.6376 85.6611 166.5578 147.5884 107.3620 104.0000 90.0000 114.0000 78.0000 61.0000 60.0000 fumaric acid 331.6981 256.9111 602.4423 288.3832 164.3445 745.3474 1467.2185 752.8626 185.6846 497.5762 226.8041 495.3302 1039.2093 584.6579 500.9862 716.8718 251.5704 532.8806 210.9200 367.3684 478.2609 211.6564 280.8599 159.6167 628.9641 1004.2373 485.1342 477.2727 432.0601 395.4545 559.9174 525.1509 318.3761 925.5527 882.9431 453.2143 797.6760 517.7972 790.7348 304.9451 822.0000 1270.0000 284.5011 347.9554 708.8981 447.0018 933.0189 476.5918 418.5336 468.7500 1308.3747 295.2229 743.4432 301.0101 266.2474 563.8075 596.8791 748.4121 783.2215 406.6835 323.1784 716.1727 933.0080 222.2222 883.1689 694.3734 844.7205 480.6911 559.2543 973.6842 157.5829 956.4173 329.0970 625.0829 651.0319 499.4001 1255.1391 1032.9615 806.8182 345.6266 547.4860 1201.1605 602.0583 491.5541 695.5479 2182.4578 540.9836 674.5033 632.3864 6281.5965 1163.7255 1302.5520 3012.8205 468.8507 670.6783 2089.5372 694.3907 2040.4487 681.9231 1133.3785 589.8148 900.2009 540.9683 644.6767 346.3023 1268.9162 398.0000 375.0000 196.0000 224.0000 223.0000 326.0000 gluconic acid 88.3019 234.3750 86.4993 137.5679 103.5465 107.9404 169.8675 105.9160 81.9502 58.1717 110.3093 108.0720 128.3215 75.6738 71.9921 67.3425 102.7010 66.4761 100.9723 102.1053 61.4367 116.5644 104.0222 119.9603 70.8245 99.5763 140.3191 1708.2310 108.0150 116.4336 109.5041 116.7002 100.4274 158.9727 80.2676 143.5714 96.3773 129.9530 81.4696 124.6566 64.0000 191.4286 119.9575 92.5651 113.1408 59.0551 113.2075 103.9326 86.5580 174.8047 139.4606 198.7261 1116.6779 89.8990 84.9057 102.5105 106.3069 109.0332 513.4228 163.6192 136.6206 97.6160 161.0470 81.4176 75.8323 116.0486 115.9420 174.7967 95.8722 202.4291 178.9100 84.4200 191.6388 106.5030 119.1370 85.4829 82.5272 132.3529 81.4394 4037.8590 128.4916 80.2708 811.7496 188.5135 191.0959 119.6060 62.4212 99.3377 124.4318 226.1641 90.1961 69.5097 283.4758 98.2814 172.8665 117.7062 144.1006 131.5432 184.6154 73.1212 107.4074 403.8848 80.0745 52.9066 178.4566 147.2393 119.0000 140.0000 83.0000 91.0000 110.0000 242.0000 glucose 9636.2264 2342.8486 2523.7449 4315.5571 2974.3509 7830.3350 47997.0199 22636.4504 1810.1660 2723.6842 4893.8144 13249.8332 2931.9507 17814.4437 786.9822 4848.6604 3692.5251 1337.0264 2027.2999 4108.4211 1379.0170 1071.5746 3391.1234 2940.5155 16440.8034 34621.8220 3894.1262 7467.7518 39156.8566 5908.7413 44768.5950 19154.9296 5022.4359 6986.9961 8303.6789 14167.5000 2232.0574 3447.2801 2797.7636 14105.7692 34261.0000 33395.7143 962.8450 5470.2602 3985.5628 17222.2895 14614.1509 5717.2285 4617.1079 56753.9062 8360.1845 23874.8408 16765.2993 5328.2828 3697.0650 529.2887 22021.1313 9515.5258 3450.0000 1202.0807 3623.7437 1531.8943 1111.3576 3237.5479 16114.3650 6448.8491 12730.8489 5277.4390 3069.9068 5028.3401 520.1422 4669.8696 3644.1472 3544.4592 2808.6304 1521.5957 1167.1705 8519.2698 3298.2955 9247.7154 7546.5549 17984.5261 4189.9657 5988.8514 45136.6438 15983.5835 1184.1110 2983.1126 997.1591 34155.2106 8097.0588 24183.3445 80799.1453 1019.8711 3132.3851 5813.8833 1676.9826 4327.6683 6555.0000 803.3175 1863.8889 1537.1735 2178.7710 21202.8086 2199.3569 42775.0511 183361.0000 128335.0000 194154.0000 175317.0000 194397.0000 253599.0000 glucose-6-phosphate 93.9623 77.5240 139.4166 162.0245 91.1970 128.4119 150.9934 225.1908 97.5104 193.2133 109.2784 98.0654 202.2035 107.8093 112.4260 115.1340 85.7412 91.1365 183.9940 111.5789 91.6824 120.6544 102.9820 98.1494 102.5370 120.7627 130.5294 112.4079 180.3381 103.8462 209.7107 148.8934 134.6154 215.5397 96.3211 131.7857 100.4785 87.6427 144.7284 128.7775 198.0000 270.0000 123.1423 137.1747 102.5339 99.0309 172.6415 77.7154 89.6130 125.0000 89.4251 92.6752 78.6819 122.2222 75.4717 104.6025 110.2081 143.9661 85.5705 117.2762 194.0955 143.0412 146.4064 107.2797 283.9088 114.1304 169.7723 170.7317 125.8322 105.2632 119.6682 266.6438 90.3010 163.2382 84.4278 154.7690 117.8960 179.5132 91.8561 141.9713 95.9032 96.7118 119.6398 188.5135 268.1507 775.3283 130.5170 149.0066 143.1818 912.4169 134.3137 231.6991 256.4103 138.5607 167.3961 123.7425 116.0542 297.7566 85.3846 110.6974 117.5926 223.0409 51.2104 96.0157 120.5788 222.9039 101.0000 125.0000 112.0000 95.0000 159.0000 142.0000 glutamic acid 2771.3208 1557.6923 962.6866 2063.5190 3044.6485 1777.2953 5596.6887 3723.2824 1483.4025 1463.6427 2028.8660 4307.8719 4902.4627 5226.6759 3114.3984 2172.3389 1424.6231 2842.3874 1430.4413 3136.8421 1468.8091 1159.5092 2100.2080 1250.1652 4219.8732 8512.7119 4526.1059 3076.4742 11267.3763 5171.3287 6145.6612 1036.2173 3070.5128 6424.2523 7045.4850 3128.5714 3428.5714 2409.6709 6484.9840 6431.6621 15459.0000 7327.1429 1316.3482 2541.6357 4422.2157 10281.9503 6550.0000 2650.7491 3635.4379 5815.4297 4543.6480 8556.6879 3463.0128 1419.1919 3113.2075 2217.5732 11349.4798 10107.2689 7245.3020 5339.8487 7492.4623 10167.5258 4176.5750 1780.6513 15879.4698 3695.3325 10484.4721 14278.4553 3884.8202 6885.6275 965.6398 7124.2279 2039.7993 4500.0000 4964.3527 937.6125 8743.3495 18439.6552 7769.8864 3211.4883 6787.7095 28088.0077 5354.2024 9365.8784 9689.3836 32157.1295 4717.5284 4971.8543 2285.7955 114697.3392 5918.6275 19334.7885 44660.9687 5020.4082 6608.3151 10421.5292 6346.2282 31298.0965 17826.9231 9029.4516 6218.5185 4559.2766 3392.9237 5656.1071 5580.3859 20550.1022 22864.0000 18564.0000 20154.0000 16135.0000 15776.0000 29033.0000 glutamine 3512.8302 1906.5505 3706.2415 9128.3967 4113.3629 6279.1563 30179.8013 15102.0992 3009.3361 1680.7479 7212.3711 4268.8459 11826.9605 6437.4568 7976.3314 4176.3215 5181.2186 3306.6476 4814.1361 2783.1579 4031.1909 2837.4233 1981.6227 1169.8612 22513.7421 6633.4746 8046.0479 5215.9091 18015.0282 3708.0420 21763.4297 11235.4125 6445.5128 15516.9051 7396.6555 4020.0000 8173.6159 8269.6441 25846.9649 10940.9341 6416.0000 21098.5714 2816.3482 2232.7138 8314.0837 7016.6566 12532.0755 6104.8689 12098.7780 24422.8516 3916.6075 17271.0191 13533.2885 1924.2424 2946.5409 5373.4310 5913.1990 4870.5011 8502.6846 8619.7982 12546.4824 6637.8866 6389.9734 4731.8008 4628.5450 10936.3811 4734.9896 8364.8374 2568.5752 7761.1336 2178.9100 4977.6939 4873.2441 5118.1155 10792.6829 2177.5645 3242.1403 15427.4848 7125.0000 5998.0418 16278.3985 8913.9265 9847.7702 10408.7838 25801.0274 16184.8030 6389.6595 15916.8874 5128.9773 34178.4922 9499.0196 18973.1363 29495.7265 5661.6541 5685.9956 17853.1187 9978.7234 40334.8063 9406.1538 4107.9892 3373.1481 6001.0047 2045.6238 5653.1679 10242.4437 8736.1963 25104.0000 42860.0000 28266.0000 18035.0000 45755.0000 67686.0000 glutaric acid 86.0377 108.1731 46.8114 31.5897 38.9487 80.9553 121.1921 117.3664 54.9793 151.6620 139.1753 21.0140 114.7116 92.2598 31.5582 107.5308 27.3241 149.0350 74.0464 109.4737 133.2703 87.9346 19.7642 42.6305 132.1353 176.9068 159.8985 58.9681 15.0282 127.9720 160.1240 55.3320 147.4359 32.1847 39.1304 125.3571 93.3014 99.7314 65.1757 113.3242 40.0000 182.8571 62.6327 104.8327 49.4991 16.3537 114.1509 116.1049 11.2016 43.9453 28.7438 10.5096 55.4808 134.3434 77.5681 154.8117 145.3186 147.1418 138.9262 111.6015 22.6131 114.0464 57.2316 16.2835 64.7349 131.3939 118.0124 160.5691 66.9108 39.4737 37.9147 43.2395 115.3846 181.1546 89.1182 32.3935 106.1064 196.2475 38.8258 76.3708 81.9367 57.0600 235.4202 35.4730 94.5205 168.8555 102.1438 142.0530 202.8409 59.8670 102.9412 39.2881 85.4701 72.5027 62.3632 151.9115 103.4816 55.0646 114.2308 103.5884 155.5556 139.6517 78.2123 47.0281 94.5338 183.0266 120.0000 176.0000 78.0000 131.0000 64.0000 92.0000 glyceric acid 517.3585 311.8990 218.7924 237.4321 224.1925 160.9801 501.6556 735.6870 259.3361 306.4404 294.8454 260.1734 484.1218 512.0940 477.3176 523.5337 243.0905 270.1930 315.2580 301.0526 233.4594 126.7894 219.4868 246.8605 381.6068 956.5678 311.0950 360.2580 300.5636 260.1399 979.3388 521.1268 381.4103 453.5111 531.7726 351.4286 326.0424 180.3224 607.6677 228.7088 1097.0000 988.5714 338.6412 184.0149 472.8933 344.3368 791.5094 212.5468 372.7088 1129.8828 627.0405 624.8408 425.6893 277.7778 468.5535 265.6904 763.6541 884.9682 537.5839 504.0984 267.5879 620.4897 544.3656 255.7471 1063.5019 591.7519 516.5631 1234.7561 339.5473 1125.5061 175.3555 522.9925 667.2241 562.3756 553.4709 440.0120 352.7811 1369.1684 875.9470 418.0809 333.3333 1038.6847 814.3225 666.8919 525.0000 1097.5610 750.9458 630.7947 818.1818 5611.9734 880.3922 431.1619 5527.0655 528.4640 504.3764 880.2817 485.4932 2580.8973 2223.4615 1459.3771 603.7037 888.1447 362.1974 216.5251 1215.4341 2781.1861 3636.0000 5331.0000 3206.0000 3124.0000 2990.0000 8594.0000 glycerol 5416.9811 5420.3726 20456.5807 8982.6766 8539.2654 15490.3846 27146.0265 47141.2214 10462.6556 3924.5152 45441.2371 18292.1948 58948.1530 33534.8998 18733.7278 12097.7553 19713.8819 21239.0994 11648.8407 10182.1053 7058.6011 6202.4540 8965.6727 3187.3761 18511.6279 33144.0678 19754.5323 10690.7248 12804.9468 9745.8042 26140.4959 15563.3803 12361.1111 37739.9220 49311.3712 18227.1429 29910.7997 10562.4580 55504.7923 19364.0110 41711.0000 39612.8571 9369.4268 8698.8848 41153.2115 16192.0048 17458.4906 16286.5168 18094.7047 24449.2188 22921.5756 29070.3822 31733.0195 4851.5152 5996.8553 36024.0586 22815.0195 23810.5152 40334.8993 34208.7011 20464.8241 31956.1856 33640.1952 17897.5096 26439.5808 26396.7391 39457.5569 24200.2032 23511.6511 27167.0040 4026.0664 35680.8511 13863.2107 22881.2210 23163.2270 20434.0132 17258.1620 20348.8844 38301.1364 53117.8198 22310.9870 36545.4546 30131.2178 20632.0946 41335.2740 50172.6079 21746.2169 33113.2450 15923.8636 115270.5100 32935.2941 59853.9288 60622.5071 32469.9248 24068.9278 52696.1771 27627.6596 51538.4092 64050.0000 29451.5911 6620.3704 45171.8017 23719.7393 13695.9504 25296.4630 35463.1902 24960.0000 26958.0000 23554.0000 25708.0000 23594.0000 42666.0000 glycerol-alpha-phosphate 1238.4906 820.3125 1191.6554 1880.0951 827.4224 1148.2630 1493.0464 1218.5114 1084.0249 329.2936 1672.1649 2392.5951 2984.4459 4615.0657 952.6627 1043.8088 2575.0628 1340.2430 464.4727 1228.4211 932.8922 816.9734 1857.8363 512.5578 1784.3552 3111.2288 2790.0653 2095.2088 2800.8766 1810.4895 1683.8843 767.6056 1958.3333 4777.9584 3600.0000 2687.1429 1539.9863 1059.7717 2999.0415 4532.9670 3013.0000 4348.5714 654.9894 1318.2156 1418.6800 3268.9279 1534.9057 1612.3596 3215.8859 2358.3984 3300.2129 3611.4650 6029.2535 217.1717 170.8595 779.2887 2354.3563 2271.7008 3648.3221 556.1160 3847.0477 2350.5155 2112.2449 2151.3410 3258.9396 2233.6957 3564.1822 1897.3577 1773.6352 1026.3158 363.7441 2505.8339 1040.4682 2075.3152 1193.2458 2512.2975 2338.8755 2596.8560 3011.3636 1721.2794 1373.3706 3323.9845 2180.5317 3040.5405 7535.9589 3088.6492 1148.1715 1891.3907 1252.8409 10392.4612 3221.5686 3864.3385 6138.1766 1443.6090 1822.7571 1616.7002 1722.4371 5337.1856 2049.2308 2267.7725 649.0741 2241.4601 633.1471 549.6408 1073.6334 2074.6421 3115.0000 4711.0000 3665.0000 2659.0000 2145.0000 7168.0000 glycine 4117.3585 2027.3438 5751.6961 4238.1114 3112.0963 5247.2084 8949.3377 13618.3206 3049.7925 3437.3269 5393.8144 5179.4530 9600.7777 7439.8756 5463.5108 5516.6546 5240.5779 4508.5776 3614.8093 4831.5789 3632.3251 2699.3865 4501.0402 2449.7687 5456.6596 20516.9492 5819.4344 5429.6683 6731.6844 4345.8042 10398.7603 12636.8209 5054.4872 6535.4356 13179.9331 7563.2143 5909.7744 3516.7898 11030.0320 8669.2995 23047.0000 12805.7143 3037.1550 3244.2379 8651.7384 5564.8092 6559.4340 3343.6330 6418.5336 9630.8594 8875.4436 7855.4140 10704.7747 3498.9899 3833.3333 7001.0460 9749.0247 9499.6471 13003.6913 6937.2636 5333.8568 7285.4381 6143.7445 4070.8812 13977.1887 12436.3811 8783.6439 8654.4715 4468.0426 9205.4656 2021.3270 8296.8428 3567.8930 9422.0305 5704.5028 8254.0492 6897.8235 13808.8235 10025.5682 3307.4413 6777.4674 13258.2205 6927.5300 8075.6757 14842.8082 30855.5347 6866.3304 8545.0331 5466.4773 104162.9712 7894.1176 17507.3875 31938.7464 5597.2073 7016.4114 10455.7344 5876.2089 26750.1699 14344.6154 12030.4672 4500.9259 7822.5050 6972.9981 5016.3292 7532.7974 19079.7546 24817.0000 24114.0000 46303.0000 34396.0000 45898.0000 39648.0000 glycolic acid 367.9245 136.1178 383.6499 338.3152 346.7384 333.1266 262.2517 592.5573 586.0996 273.1994 339.1753 202.1348 537.5891 381.4789 189.3491 353.0051 423.0528 212.2945 315.2580 374.7368 207.9395 205.5215 324.5492 340.0529 400.6342 122.8814 606.9616 238.6364 282.7176 368.1818 857.4380 587.5252 1170.9402 276.0078 405.3512 426.4286 260.4238 314.3049 517.5719 350.2747 402.0000 544.2857 485.1380 341.2639 388.9216 423.3798 292.4528 527.1536 454.1752 430.6641 541.8737 543.6306 449.8991 129.2929 234.8008 257.3222 371.5865 371.5596 426.8456 426.5448 195.9799 296.7139 597.6043 271.0728 185.8816 456.5217 155.2795 114.8374 249.6671 382.5911 298.5782 211.0501 349.1639 495.6868 181.9887 480.5039 226.7231 728.7018 468.7500 533.6162 524.2086 389.7485 647.0840 469.2568 407.8767 486.8668 124.8424 639.7351 501.1364 662.9712 394.1176 312.2901 904.5584 642.8571 324.9453 398.3903 409.0909 373.2155 1362.6923 313.8118 313.8889 355.6597 212.2905 272.3710 274.9196 508.1800 1009.0000 639.0000 520.0000 464.0000 832.0000 1127.0000 guanine 160.7547 50.4808 138.3989 201.7663 105.4465 89.3300 328.8079 122.1374 104.7718 106.9945 131.9588 158.1054 97.2132 130.6151 117.3570 155.3222 108.3543 157.6126 141.3613 144.2105 123.8185 100.2045 143.5506 119.9603 106.7653 341.1017 120.7397 123.4644 156.8566 113.2867 192.1488 146.8813 136.7521 145.3186 469.5652 267.8571 213.2604 118.8717 228.1150 432.6923 205.0000 300.0000 88.1104 103.7175 68.0613 163.5373 118.8679 73.0337 185.3360 203.1250 279.9858 253.1847 100.8742 82.8283 118.4486 480.1255 245.7737 290.0494 157.0470 119.1677 176.1935 95.6830 163.7090 105.3640 222.8730 106.4578 233.9545 134.1463 125.8322 187.2470 95.9716 436.5134 119.3980 154.2800 102.2514 105.2789 369.1052 155.1724 242.4242 154.6997 108.0074 240.8124 142.7959 206.7568 303.0822 330.6754 174.9685 229.4702 296.5909 607.5388 177.4510 598.3882 257.8348 146.6165 97.3742 221.3280 110.2515 403.8069 213.4615 192.9587 159.2593 272.2706 124.7672 174.3958 165.9164 326.1759 89.0000 83.0000 84.0000 72.0000 59.0000 50.0000 guanosine 152.8302 108.1731 114.9932 122.2826 108.2964 84.6774 258.2781 159.3511 90.2490 114.2659 168.0412 152.1014 209.9806 175.1900 148.9152 188.9935 113.0653 64.3317 103.2162 175.7895 164.4612 106.3395 148.7517 98.1494 153.2770 663.1356 232.7774 168.6118 379.4615 108.0420 200.4132 174.0443 134.6154 355.0065 632.1070 193.9286 176.3500 173.2707 273.1629 518.2005 843.0000 377.1429 100.8493 132.7138 121.9800 178.9824 320.7547 156.3670 212.8310 163.0859 15.9688 188.2166 147.2764 150.5051 142.5577 188.2845 252.6008 231.8278 313.0872 231.7150 192.2111 150.7732 224.9335 199.2337 425.4007 221.5473 563.1470 272.3577 175.7656 178.1377 127.9621 596.0879 16.0535 227.9363 226.0788 105.2789 502.4184 342.2921 295.4545 113.5770 173.1844 305.6093 151.8010 200.6757 538.3562 1739.2120 201.4502 234.4371 252.2727 2942.3503 427.4510 1296.5077 1326.2108 230.3974 129.1028 292.7565 227.2727 1166.5534 153.4615 477.3189 181.4815 222.0362 56.7970 48.9876 207.3955 262.7812 105.0000 163.0000 90.0000 161.0000 86.0000 94.0000 heptadecanoic acid 2966.0377 1421.5745 1744.2334 2536.3451 1819.1894 1804.2804 2589.7351 2525.7634 1654.5643 2664.4737 2059.7938 2015.3436 2070.6416 2715.9641 2344.1815 2676.3215 1424.6231 3009.6498 1689.6036 4098.9474 1561.4367 2127.8119 1749.6533 1366.1599 2644.8203 2765.8898 2571.4286 2835.9951 4858.7977 4593.3566 3143.5950 3174.0443 2067.3077 3362.8088 1932.4415 3420.0000 3006.1517 3415.0437 3099.6805 3675.8242 1528.0000 3252.8571 1719.7452 2377.6952 2501.4732 2519.3822 1328.3019 1932.5843 2907.3320 1977.5391 2437.8992 2499.3631 3873.5709 1745.4545 2068.1342 2527.1967 2811.7685 2557.5159 1638.9262 1737.3897 1874.0578 1959.0851 3718.7223 1064.1762 2548.7053 1294.7570 2181.1594 1567.0732 2302.9294 2051.6194 1630.3318 3656.8291 2063.8796 3078.6330 1398.6867 1215.6569 1578.8996 3908.2150 2065.3409 3499.3473 2801.6760 7641.1992 3719.1252 2891.5541 4904.7945 2643.9962 1647.5410 2203.3113 3119.3182 3733.9246 1872.5490 1973.4721 6314.8148 3409.2374 2428.8840 2193.1590 2331.7215 2388.1713 2503.8462 2145.9039 1956.4815 3392.8332 1562.3836 1896.7995 2511.8971 2947.8528 1603.0000 2031.0000 1897.0000 1660.0000 1745.0000 3189.0000 hexitol 3216.2264 1672.1755 4369.7422 2619.9049 1821.0893 2611.9727 4792.0530 2919.8473 3036.3071 312.6731 2110.3093 3446.2975 5135.7745 10617.1389 2714.9901 1889.9348 1241.8342 6023.5883 747.1952 1752.6316 609.6408 1052.1472 10104.7157 823.8599 1804.4397 4378.1780 4789.3401 2199.3243 7727.3012 6196.1538 14150.8265 1438.6318 4105.7692 4026.0078 14236.4549 7465.7143 7580.9979 7838.4822 4782.7476 13054.9451 17569.0000 5418.5714 765.3928 5218.2156 3532.9994 5754.6941 5688.6792 1945.6929 8526.4766 2025.3906 29942.5124 6345.8599 4646.2677 779.7980 293.5010 2035.5649 4056.2419 4836.6267 6172.1477 3422.7617 2986.8090 2425.9021 2870.8962 2788.3142 2694.8212 1476.0230 7272.2567 2455.2846 3170.7723 949.3927 229.8578 8855.8682 1443.8127 2089.2502 1184.8030 10129.2741 2211.0036 1455.8824 2732.9545 1913.1854 4230.9125 11303.6750 4807.4614 3818.9189 10902.7397 19034.2402 6073.7705 10199.0066 3553.9773 11375.8315 4572.5490 17647.4144 5119.6581 1854.4576 3015.3173 2772.6358 1068.6654 18239.6329 3064.6154 22795.5315 356.4815 624.9163 2049.3482 2089.8106 1018.6495 2211.6564 225.0000 277.0000 257.0000 262.0000 243.0000 369.0000 hexuronic acid 149.4340 80.2284 169.9457 153.8723 130.1457 159.1191 297.0199 285.3053 181.5353 145.4294 117.5258 178.1187 161.3739 246.7173 141.0256 179.2180 97.9899 186.5618 133.5079 146.3158 87.9017 105.3170 111.3037 103.1064 157.5053 336.8644 140.3191 96.7445 239.5116 134.2657 236.5702 257.5453 135.6838 126.7880 149.4983 139.2857 176.3500 155.1377 135.1438 226.6484 325.0000 358.5714 105.0955 198.5130 124.6317 280.7389 223.5849 86.1423 205.7026 336.9141 269.3400 136.6242 226.9670 118.1818 135.2201 123.4310 370.6112 243.4721 122.8188 168.3480 156.4070 199.0979 226.2644 107.2797 402.2811 197.5703 178.0538 129.0650 163.7816 157.8947 165.8768 221.3452 429.4314 196.0849 162.2889 163.7672 135.1270 324.0365 102.2727 333.8773 144.3203 313.3462 200.6861 178.3784 194.1781 350.3752 175.9142 169.8675 288.0682 731.7073 386.2745 150.1007 877.4929 193.3405 178.3370 287.7264 160.5416 639.3610 236.5385 132.0244 163.8889 235.0971 102.4209 193.9909 154.3408 438.6503 508.0000 255.0000 506.0000 409.0000 435.0000 628.0000 histidine 720.0000 94.6514 251.3569 263.9266 102.5966 270.7816 3403.3113 1240.4580 141.0788 188.0194 459.7938 814.5430 847.6993 1439.8756 579.8817 369.2976 146.0427 509.2924 765.1458 414.7368 201.3233 170.7566 228.8488 101.1236 1303.3827 2020.1271 633.0674 544.5332 1342.2041 287.4126 1646.6942 1564.3863 476.4957 918.7256 1239.1304 673.9286 491.1141 351.5782 1322.6837 1047.7335 2645.0000 1430.0000 195.3291 226.3941 999.7054 1427.3168 1443.3962 321.1610 301.4257 1349.6094 869.7658 1007.0064 514.4586 330.3030 727.4633 570.0837 1280.5592 4085.0388 532.5503 745.2711 558.7312 714.2397 717.3913 351.5326 3626.0789 947.5703 1611.8012 613.8211 545.2730 1024.2915 161.1374 3317.0899 627.0903 685.7996 898.6867 386.0228 734.5828 2476.6734 2296.4015 256.5274 846.3687 4110.2515 1178.3876 1068.2432 1648.9726 3941.3696 986.4439 1580.4636 763.6364 9717.2949 2389.2157 3279.0463 5783.4758 513.9635 1150.9847 2714.2857 1057.0600 2561.5228 2901.9231 2319.5667 1651.8519 985.5995 707.6350 1122.7956 2041.1576 8961.1452 16865.0000 7993.0000 16660.0000 15687.0000 15553.0000 12607.0000 hydroxycarbamate NIST 270.5660 173.9784 263.5685 399.4565 324.8892 306.1414 564.2384 439.8855 391.0788 261.7729 370.1031 339.2262 398.5742 553.5591 448.7179 520.2752 249.6859 226.2330 218.7734 234.7368 198.4877 175.8691 221.5673 289.4911 368.9218 521.1864 348.0783 325.2457 413.2749 453.1469 591.9421 153.9235 567.3077 561.7685 582.9431 433.9286 373.2057 284.0833 478.2748 347.1841 577.0000 650.0000 282.3779 271.0037 359.7525 296.1841 281.1321 247.1910 458.2485 456.0547 617.4592 457.6433 377.2697 162.6263 321.8029 333.6820 363.7841 489.0614 419.7987 411.4124 383.4799 337.3067 605.5901 165.7088 513.2552 293.4783 206.0041 421.7480 319.5739 295.5466 322.2749 298.5587 252.8428 381.2210 335.8349 244.7510 448.0048 718.0527 518.9394 344.6475 513.0354 593.8104 825.9005 580.7432 793.1507 768.2927 477.6166 608.9404 477.2727 958.9800 465.6863 637.6763 1108.2621 526.8528 497.8118 383.2998 316.2476 423.1815 455.7692 389.9797 247.2222 512.3912 375.2328 260.6140 253.6977 845.6033 761.0000 604.0000 456.0000 320.0000 317.0000 615.0000 hydroxylamine 8313.9623 5789.9639 6731.6825 7361.4130 7387.9037 3918.4243 6237.4172 7538.1679 8285.2697 9485.1108 6496.9072 7953.3022 5534.3487 7958.1894 6745.5621 7586.8936 6334.4849 9087.9199 8743.0815 8887.3684 8517.0132 7890.5930 7773.5784 8241.5730 5950.3171 8085.8051 4827.4112 8558.6609 7725.4227 7054.1958 8890.4959 9452.7163 9019.2308 8881.0143 7680.6020 8831.7857 7370.8134 7404.2982 8266.7732 6894.2308 7526.0000 12780.0000 9983.0149 9013.3829 5956.6883 7400.0606 6335.8491 4915.7303 6567.2098 7902.3438 8020.5820 5069.4268 6397.4445 8442.4242 1924.5283 8038.7029 8434.3303 7866.2668 8033.5570 5926.2295 6440.9548 8410.4381 12039.9290 4761.4943 6693.5882 4231.4578 8698.7578 2990.8537 7891.4780 8451.4170 8490.5213 8646.8771 7125.7525 9369.2767 6781.4259 8345.8308 7476.4208 10166.8357 6473.4848 2077.6762 7786.7784 5118.9555 10696.8268 7716.8919 8763.6986 10701.2195 6627.9950 8447.6821 10757.3864 7607.5388 6460.7843 7856.6152 9227.9202 14629.4307 8374.1794 6591.5493 7178.9168 5288.2393 7776.9231 8634.3940 6696.2963 7485.9344 7168.5289 7623.4487 8751.1254 8393.6605 1996.0000 1446.0000 1293.0000 1683.0000 1237.0000 4564.0000 hypoxanthine 1144.5283 505.7091 633.9891 625.6793 981.3173 673.6973 2177.4834 2998.0916 904.5643 409.2798 1234.0206 2185.4570 3841.8665 2297.1666 2374.7535 654.9602 1130.6533 2990.3502 1090.5011 1290.5263 759.9244 571.5746 806.1720 365.8295 1438.6892 6212.9237 3532.9949 1500.0000 2544.4584 2123.0769 1510.3306 3611.6700 760.6838 3670.0260 7725.7525 2833.9286 3395.7621 1125.2518 6272.2045 4263.0495 13877.0000 4554.2857 962.8450 656.8773 3239.5404 2185.0394 3156.6038 1889.5131 1731.1609 3600.5859 2725.3371 2781.2102 1607.9354 497.9798 840.6709 4326.3598 2623.5371 6020.1129 3302.0134 3109.7100 964.8241 2229.7036 2508.8731 1039.2720 11336.0049 2041.8798 4478.2609 3143.2927 1090.5459 2960.5263 330.5687 5004.4612 1381.6054 2448.5733 1146.3415 1508.9982 4122.7328 5292.5963 6302.0833 1480.4178 1372.4395 7154.7389 1606.7753 1855.7432 3755.1370 12682.4578 1948.2976 2296.6887 1556.2500 45369.1796 5517.6471 16095.0302 14105.4131 1287.3255 2307.4398 8890.3421 2618.9555 9340.5846 3920.7692 6156.3981 2274.0741 4779.3034 1418.9944 1196.2769 3530.5466 13394.6830 284.0000 253.0000 386.0000 261.0000 247.0000 477.0000 inosine 1330.1887 183.8942 939.2809 896.7391 814.1229 531.3275 2079.1391 1407.4427 811.2033 426.9391 2292.7835 1887.2582 2601.4258 1972.7021 1169.6252 772.2665 1684.6734 2225.8756 590.1272 1070.5263 739.1304 529.6524 1092.2330 360.8724 1746.3002 6027.5424 2170.0508 1195.0246 4561.9912 1541.9580 1915.2893 1480.8853 1006.4103 2866.3849 6326.0870 2363.5714 2038.2775 1383.1430 3106.3898 4259.9588 9240.0000 6077.1429 335.4565 1056.1338 1022.6871 1905.2090 2005.6604 2154.4944 1253.5642 1835.9375 1715.0461 3475.7962 1773.3692 278.7879 272.5367 1563.8075 2980.4941 2263.2322 4778.8591 2847.7301 1734.6106 2144.6521 1880.6566 1527.7778 5421.0851 1872.1228 5312.6294 2700.2033 773.9680 1910.9312 214.4550 4281.7433 1190.9699 1809.5554 587.2420 2227.9544 3777.2068 1693.2049 3219.6970 1922.9765 1608.0074 2794.0039 1649.2281 846.2838 4400.3425 15996.2476 1591.7402 1762.2517 1307.3864 23706.2084 2499.0196 12397.9181 10547.0086 713.7487 1193.6543 3025.1509 1463.2495 12513.9361 1326.9231 4901.1510 540.7407 1677.8299 1451.5829 1048.3344 909.6463 6286.2986 76.0000 101.0000 98.0000 90.0000 111.0000 129.0000 isoheptadecanoic acid NIST 619.2453 422.7764 368.3853 660.3261 387.5871 418.7345 517.5497 500.0000 437.7593 459.1413 542.2680 359.2395 358.7168 871.8037 468.4418 658.2187 378.7688 601.5011 575.5423 625.2632 129.4896 686.0941 441.0541 454.0648 874.2072 423.7288 882.1610 545.4545 1220.1002 1196.8531 716.9421 424.5473 577.9915 862.1586 669.2308 617.1429 992.4812 739.4224 979.5527 687.1566 510.0000 612.8571 218.6837 589.9628 532.1155 571.4718 415.0943 325.8427 803.4623 443.3594 631.2988 401.2739 596.1668 280.8081 448.6373 575.3138 459.3628 458.3627 587.9195 463.4300 489.9497 375.0000 689.4410 330.4598 402.2811 447.8900 447.2050 568.0894 408.4554 496.9636 395.7346 827.7282 508.6957 651.9575 472.7955 351.8296 423.5187 842.7992 583.3333 649.1514 764.4320 3011.6054 555.7461 854.3919 1403.4247 600.8443 430.3279 608.9404 753.4091 852.5499 550.0000 759.5702 1698.0057 820.0859 549.2341 348.0885 698.2592 559.8232 354.2308 500.6770 462.9630 526.4568 334.2644 549.6408 297.1061 757.6687 449.0000 593.0000 482.0000 589.0000 577.0000 712.0000 isoleucine 3269.4340 1650.5409 2295.7938 2826.7663 1851.4883 3602.0471 14859.9338 14822.5191 1502.0747 2171.0526 2930.9278 3207.1381 5692.8062 7764.3400 2784.0237 3480.0869 2934.0452 3253.0379 2425.5797 2721.0526 1842.1550 1833.3333 2526.6990 1393.9194 6834.0381 11123.9407 4118.2016 5404.7912 6974.9530 2397.9021 8731.4050 12778.6720 4556.6239 5206.1118 8198.3278 5274.6429 2875.9399 2990.9335 5938.6581 6727.3352 15341.0000 11945.7143 1919.3206 2828.2528 6761.0489 7342.8225 5479.2453 3358.6142 3602.8513 15692.3828 6356.6359 6799.6815 7651.3114 3114.1414 3361.6352 6270.9205 7993.4980 9342.9781 8405.0336 5843.9470 3103.6432 8545.7474 4291.0382 2517.2414 16893.0333 14343.0307 6678.0538 7768.2927 2737.3502 10402.8340 2063.9810 7660.6040 3122.4080 4430.3251 5883.6773 2817.3365 5972.7932 10448.2759 5990.5303 3108.6815 5489.7579 12451.6441 4283.8765 6979.0541 10176.3699 27128.0488 4050.7566 6633.7748 3898.2955 86198.4479 10915.6863 18366.6891 59423.0769 3758.8614 5781.1816 9192.1529 5289.1683 10120.6662 15656.5385 15906.9059 6465.7407 8350.9712 3851.0242 9037.2306 14187.7813 23723.9264 37410.0000 32924.0000 34747.0000 36215.0000 35171.0000 51372.0000 isothreonic acid 1 107.5472 73.9183 38.6703 85.5978 155.7948 62.3449 199.6689 307.2519 133.8174 112.1884 143.2990 80.0534 150.6805 199.0325 106.5089 139.0297 137.5628 126.5189 74.0464 107.3684 132.3251 91.0020 100.9015 135.8229 221.9873 136.6525 147.9333 137.2850 85.4728 88.1119 220.0413 147.8873 129.2735 156.0468 200.6689 208.9286 127.1360 140.0269 82.4281 113.3242 213.0000 435.7143 92.3567 122.6766 128.1674 184.4337 149.0566 58.0524 134.4196 300.7812 104.3293 212.1019 64.5595 100.0000 162.4738 145.3975 232.1196 178.8991 138.9262 147.5410 66.8970 19.3299 158.3851 134.0996 122.0715 117.9668 254.6584 171.7480 115.8455 176.1134 111.3744 47.3576 57.1906 90.5773 138.8368 98.9802 191.3543 225.1521 192.2348 116.5144 109.8696 212.7660 223.8422 151.0135 196.2329 205.4409 199.5586 148.0132 192.6136 452.3282 139.2157 206.5144 457.2650 175.6176 71.1160 173.0382 117.9884 137.6615 241.1538 179.7563 62.9630 106.4970 123.8361 96.9954 121.5434 201.4315 697.0000 1282.0000 694.0000 624.0000 589.0000 1774.0000 lactamide 221.8868 149.6394 105.8345 151.8342 105.4465 87.4690 108.2781 109.7328 125.5187 183.8643 90.7216 320.2135 117.6280 223.9115 126.2327 97.7552 90.4523 306.6476 89.7532 247.3684 86.0113 91.0020 153.9528 113.0205 122.6216 415.2542 92.4583 78.3170 92.0476 207.6923 120.8678 91.5493 142.0940 85.8257 329.0970 217.5000 176.3500 150.1007 115.0160 103.0220 998.0000 140.0000 109.3418 148.3271 121.0961 308.9037 66.9811 115.1685 86.5580 94.7266 294.8900 118.4713 148.2851 195.9596 199.1614 77.4059 278.9337 345.0953 104.6980 88.9029 55.5905 111.1469 162.3780 68.0077 403.2059 143.8619 428.5714 137.1951 233.6884 90.0810 143.3649 346.9458 121.4047 319.5090 151.9700 250.1500 256.6505 150.6085 514.2045 59.7258 115.4562 576.4023 187.8216 102.3649 137.6712 1730.7692 191.9924 124.1722 168.7500 506.6519 85.2941 591.3365 296.2963 128.8937 381.8381 158.9537 116.0542 185.5880 140.7692 457.0074 72.2222 120.5626 231.8436 301.7636 129.2605 647.2393 1890.0000 297.0000 1785.0000 1822.0000 320.0000 300.0000 lauric acid 1856.6038 1502.7043 2677.4084 938.5190 1853.3882 2533.8089 2628.4768 4433.2061 3432.5726 2639.5429 2660.8247 2069.3796 3716.4614 1838.9772 1814.5957 2574.2216 3000.0000 2270.9078 858.2648 1426.3158 1103.0246 1763.8037 1633.1484 1568.4071 2168.0761 3977.7542 2335.3880 1629.9140 1674.7026 1680.4196 2705.5785 2029.1751 1053.4188 1302.0156 4421.7391 3718.9286 1538.9610 1205.8428 1638.9776 1562.8434 3967.0000 7812.8571 3757.9618 2112.2677 2058.6329 3374.3186 5357.5472 2779.9625 1063.1365 4175.7812 5863.7331 4235.3503 7564.5595 1709.0909 1370.0210 2435.1464 2503.5761 3255.1164 4908.7248 3176.8600 767.9020 1934.9227 4424.1349 2334.2912 2824.2910 2387.1483 3305.3830 5246.9512 1712.7164 3664.9798 3027.2512 2239.1901 888.9632 1897.1466 2524.3902 2258.5483 1388.4522 1747.9716 3040.7197 4481.3969 1270.9497 6273.6944 2015.8662 1226.3514 2425.6849 4058.1614 2850.5675 920.8609 1692.6136 4008.8692 1270.5882 2487.2398 23240.7407 5621.3749 5849.0153 4726.3581 3627.6596 4959.8912 8113.8462 2714.6242 2953.7037 6912.2572 2269.0875 1510.7773 4371.7042 4671.7791 2192.0000 2002.0000 2604.0000 1816.0000 2027.0000 3167.0000 leucine 5723.7736 1664.0625 2370.0814 3644.0217 3059.8480 5716.1911 22916.2252 29770.9924 2060.1660 3193.2133 4745.3608 5441.6278 11589.7602 13371.4582 5122.2880 4538.0159 5701.3191 5074.6962 3995.1384 4350.5263 1976.3705 3066.4622 3996.5326 1566.4243 9426.0042 23150.4237 8294.0537 8750.3071 12030.0564 3552.7972 19202.4793 25560.3622 5194.4444 8374.8375 16707.6923 8738.5714 7329.8018 5772.3304 10279.5527 14209.8214 32325.0000 25898.5714 2754.7771 4869.1450 13484.0896 11068.7462 12148.1132 9272.4719 6263.7475 28355.4688 11118.5238 14750.6369 14328.1775 5093.9394 7464.3606 10526.1506 17366.0598 18435.0741 12577.8523 12131.4628 5891.6457 12921.0696 8326.5306 5130.2682 38739.2109 20609.6547 13515.5279 17392.2764 4382.1571 18927.1255 1355.4502 15560.0549 6680.2676 7509.9536 11995.3096 4338.9322 13713.1197 17447.7688 15059.6591 5803.1984 8967.4115 23470.0193 8670.6690 14988.8514 18922.6027 56560.9756 8300.1261 14657.2848 8302.8409 190293.7916 30235.2941 37959.3687 147366.0969 6718.5822 11089.7155 21876.2575 14949.7099 24807.6139 38683.8461 28994.5836 14522.2222 17702.6122 7114.5251 15913.1287 32952.7331 58835.3783 67651.0000 58473.0000 59048.0000 64047.0000 59962.0000 89892.0000 linoleic acid 511.6981 230.7692 192.3338 1131.1141 495.8835 415.0124 1183.1126 640.2672 193.9834 608.7258 1238.1443 549.3662 1185.0292 808.5695 1316.5680 1270.8182 420.2261 1380.9864 479.0576 1036.8421 123.8185 511.2474 435.8530 224.0582 1523.2558 860.1695 1345.5402 1931.2039 5938.9480 2247.9021 1778.9256 1306.8410 620.7265 1151.8205 740.4682 2890.7143 1325.7006 2564.8086 1193.2907 2184.0659 498.0000 1387.1429 146.4968 933.4572 1616.6765 1314.6578 606.6038 964.4195 1257.6375 1100.5859 969.8368 1718.7898 3801.9502 378.7879 196.0168 672.5941 1529.2588 1369.7953 523.4899 422.7617 385.3643 921.0696 1200.5324 251.9157 1137.4846 498.7212 1054.8654 1525.4065 891.8109 810.7287 139.8104 2709.6774 888.9632 1362.6410 382.7392 118.7762 833.4341 2770.2840 892.0455 3562.9896 1743.0168 5586.0735 1085.7633 1693.5811 1945.8904 835.8349 2299.1803 704.3046 744.8864 1648.5588 942.1569 884.4862 7958.6895 758.8614 319.4748 786.7203 642.1663 1285.8600 2411.5385 1194.3128 539.8148 1444.7421 900.3724 507.5114 2009.3248 1620.6544 1353.0000 2066.0000 1749.0000 1271.0000 1399.0000 3071.0000 lysine 4861.1321 484.9760 1731.0041 1958.5598 754.2749 2020.1613 6273.1788 7952.2901 918.0498 1600.7618 2301.0309 4850.2335 5943.6163 6670.6980 2772.1893 1888.8487 1548.9950 3414.9392 2007.1055 1506.3158 930.0567 860.9407 1590.4993 506.6094 4808.6681 9669.4915 2685.6418 2639.7420 3695.9925 2676.9231 6174.5868 6526.1569 2071.5812 4640.4421 8624.7492 3003.2143 2607.3137 2015.7824 5957.8275 4116.7582 13977.0000 10838.5714 1108.2803 1312.6394 5147.0242 5365.8389 6867.9245 2851.1236 1971.4868 12269.5312 4739.5316 4737.8981 3690.9886 1834.3434 4863.7317 3968.6192 7228.8687 21735.7092 5044.6309 6331.9672 3464.5100 5192.9768 5040.3727 2553.6398 22795.0062 6972.5064 9039.3375 6804.8780 3728.0293 8398.7854 768.9573 12397.3919 3266.8896 3779.3630 6230.7692 2854.2292 4217.0496 11459.9392 11058.7121 2359.6606 3649.9069 21324.9516 5616.6381 6584.7973 8635.2740 24983.5835 4867.9067 4954.9669 3952.8409 27906.8736 12207.8431 16872.7334 38099.7151 3059.6133 7390.5908 10667.0020 6155.7060 12714.8198 19990.3846 12830.7380 9649.0741 7692.9002 2528.8641 8075.1143 14725.0804 43998.9775 55662.0000 42750.0000 47668.0000 52045.0000 44184.0000 70026.0000 lyxitol 307.9245 155.9495 169.9457 220.1087 171.9443 189.8263 322.8477 451.3359 161.8257 116.3435 118.5567 181.1207 243.0331 268.4865 190.3353 198.7690 237.4372 238.0272 133.5079 242.1053 143.6673 106.3395 325.5895 124.9174 246.3002 494.7034 211.0225 215.6020 155.9173 193.0070 252.0661 309.8592 208.3333 429.1287 364.2140 201.4286 167.1224 153.1229 370.9265 129.8077 658.0000 318.5714 237.7919 188.4758 350.0295 486.9776 335.8491 193.8202 162.9328 283.2031 199.0774 224.5223 433.7592 208.0808 206.4990 129.7071 538.3615 291.1080 248.6577 285.6242 207.2864 313.1443 316.7702 274.9042 305.1788 178.3887 492.7536 241.8699 190.7457 248.9879 175.3555 670.2128 126.4214 236.8945 303.0019 316.7367 327.3881 371.1968 281.2500 223.2376 298.8827 408.1238 401.3722 214.8649 351.3699 529.0807 183.4805 2742.7152 184.0909 1332.5942 664.7059 726.3264 749.2877 380.2363 425.6018 249.4970 346.2282 334.4663 334.6154 255.9242 124.0741 113.5298 234.6369 271.3912 245.0161 624.7444 640.0000 766.0000 773.0000 603.0000 565.0000 904.0000 malic acid 245.6604 155.0481 864.9932 275.1359 175.7441 806.7618 1687.7483 729.0076 273.8589 486.1496 272.1649 879.5864 1660.4018 551.4858 397.4359 829.8335 273.2412 366.6905 282.7225 172.6316 255.1985 257.6687 241.3315 226.0410 936.5751 1371.8220 720.0870 738.0221 629.3049 469.9301 832.6446 697.1831 399.5726 1259.1027 1018.3946 276.4286 672.5906 557.0853 1299.6805 348.2143 1009.0000 1434.2857 408.7049 257.6208 1011.1962 648.6978 1083.9623 371.7228 410.3870 684.5703 1479.7729 405.0955 583.0531 189.8990 298.7421 582.6360 855.3316 1354.9753 990.6040 867.2762 545.5402 1565.7216 890.4170 356.3218 1547.1640 1247.7621 1143.8923 814.0244 978.6951 1309.7166 236.9668 977.0075 491.6388 557.3988 917.4484 957.4085 1122.7328 2297.1602 1428.0303 615.8616 708.5661 1804.6422 1011.1492 775.3378 921.5753 2898.6867 433.1652 947.6821 794.3182 5373.6142 1765.6863 1102.0819 2833.3333 855.5317 1370.8972 2159.9598 1051.2573 3052.0054 1309.6154 1518.2803 770.3704 1567.3141 956.2384 852.3841 792.9260 2341.5133 340.0000 301.0000 301.0000 230.0000 300.0000 515.0000 maltose 1 1368.6792 352.4639 622.7951 467.7310 292.5902 652.2953 1210.9272 1645.0382 385.8921 449.7922 303.0928 786.5243 511.3415 504.8376 391.5187 543.0847 285.4899 246.6047 499.2521 458.9474 643.6673 308.7935 435.8530 315.2677 507.3996 3597.4576 550.3988 609.0295 2239.1985 370.2797 540.2893 2403.4205 447.6496 1003.5761 1246.1538 342.8571 917.6350 430.1545 873.1629 770.6044 4250.0000 4055.7143 338.6412 306.6914 976.7236 417.0200 4818.8679 765.9176 465.3768 2560.5469 605.7488 726.1146 289.5091 322.2222 1331.2369 359.8326 1143.0429 4252.2936 12633.2215 2872.3203 1852.3869 994.5232 782.6087 594.8276 7238.2861 3110.2941 1933.7474 4978.6585 521.3049 4933.1984 344.7867 1384.6946 2377.9264 891.8381 3112.5704 689.2621 5903.8694 6482.2515 2567.2348 643.2768 5535.3817 5484.5261 2085.3345 1737.1622 3058.5616 7460.6004 5124.2119 4309.2715 523.2955 17258.3149 6812.7451 11232.3707 47826.2108 676.6917 1025.1641 2910.4628 1459.3810 5890.8906 2656.1538 1557.8876 940.7407 622.9069 988.8268 4870.3462 2138.5852 10025.5624 242.0000 380.0000 387.0000 286.0000 255.0000 395.0000 maltotriose 81.5094 107.2716 51.8996 117.1875 100.6966 71.6501 303.9735 235.6870 150.4149 121.5374 77.3196 54.0360 139.0149 138.9081 119.3294 160.7531 66.8970 183.3452 107.7038 136.8421 130.4348 105.3170 212.2053 137.8057 86.6808 504.2373 144.6701 136.3636 187.8522 131.1189 174.5868 368.2093 138.8889 219.4408 85.2843 63.2143 86.1244 131.9678 91.0543 91.6896 786.0000 651.4286 79.6178 153.9033 137.0065 191.7020 274.5283 114.2322 30.5499 417.9688 101.1356 122.2930 166.4425 34.3434 137.3166 173.6402 144.3433 177.8405 902.0134 264.8172 171.4824 157.5387 138.4206 213.6015 502.1578 223.4655 86.9565 314.0244 160.7856 596.1538 98.3412 62.8003 63.2107 53.7492 396.8105 189.8620 369.1052 299.6957 353.2197 147.8460 557.7281 528.0464 455.4031 146.9595 302.0548 395.4034 436.9483 486.7550 173.8636 677.3836 101.9608 1222.9684 633.9031 124.0602 109.4092 442.6559 198.2592 433.3787 45.0000 228.5037 74.0741 123.5767 86.5922 344.8726 106.1093 708.5890 122.0000 85.0000 112.0000 85.0000 74.0000 109.0000 mannose 1261.1321 178.4856 515.9430 284.3071 232.7422 1007.7543 2271.8543 2384.5420 110.9959 323.0609 865.9794 1199.7999 490.9268 1842.0871 156.8047 589.7900 400.4397 157.6126 204.1885 407.3684 289.2250 241.3088 442.0943 304.3622 2008.4567 3056.1441 127.2661 417.3833 3358.7977 710.1399 1996.9008 1636.8209 529.9145 153.1209 1250.1672 1271.7857 401.9139 436.1988 415.0160 876.7170 3763.0000 2190.0000 208.0679 394.7955 637.3011 2345.8510 1032.0755 623.5955 608.9613 3863.2812 1471.2562 1487.5796 1370.8810 758.5859 342.7673 141.2134 1832.5748 1398.3769 510.4027 195.7755 292.0854 347.9381 79.8580 340.9962 1292.8483 194.6931 1297.1014 597.5610 645.1398 510.1215 88.8626 838.0233 474.5819 501.6589 492.4953 298.7403 220.3748 1110.5477 224.4318 389.6867 1047.4860 2019.3424 532.5901 831.0811 2703.0822 2230.3002 209.0164 762.9139 373.2955 4007.7605 750.0000 2564.8086 4841.8803 165.9506 1199.1247 759.5573 332.6886 397.6886 731.5385 222.4103 199.0741 228.0643 319.3669 2341.6068 353.0547 3835.3783 7671.0000 6317.0000 8555.0000 6846.0000 6566.0000 10167.0000 methionine 550.1887 169.4712 122.1167 275.1359 229.8923 187.0347 618.8742 1221.3740 148.3402 292.9363 281.4433 683.4556 1159.7537 651.0021 364.8915 261.7668 125.3141 436.3831 112.1915 195.7895 194.7070 274.0286 339.1123 125.9088 426.0042 1391.9492 575.4170 614.5577 449.9061 337.7622 811.9835 745.4728 252.1368 876.7880 2056.8562 423.2143 587.4915 195.4332 1029.3930 560.4396 2946.0000 1657.1429 184.7134 215.2416 1264.8792 517.8680 1008.4906 642.3221 404.2770 1728.5156 679.2051 773.8854 367.1822 315.1515 366.8763 993.7238 980.1691 1857.7982 1094.2953 1027.1122 533.2915 1045.7474 831.8545 361.1111 3895.1911 1349.4246 1547.6190 1696.1382 559.2543 1696.3563 184.8341 1388.8126 427.4247 675.8461 1216.6979 124.1752 1146.3120 1483.2657 1794.5076 447.4543 914.3389 2201.1605 824.6141 1362.1622 1089.0411 5126.1726 967.5284 968.5430 574.4318 18660.7539 2349.0196 3491.6051 8133.9031 10140.7089 733.0416 1949.6982 1234.0426 2217.8790 3099.2308 2490.1828 1159.2593 1342.2639 535.3818 845.5258 2100.9646 5777.0961 4195.0000 3663.0000 3992.0000 3487.0000 3086.0000 5858.0000 myo-inositol 31451.3207 23989.1827 58133.6499 63425.9511 47869.8543 28718.6725 469772.1854 67403.6260 56120.3319 7289.1274 60346.3918 49844.2295 115524.3033 141507.9475 63785.0099 28762.8530 67729.8995 106195.4968 11951.7577 52508.4210 31092.6276 31380.3681 83254.1609 22919.3655 82524.3129 127122.8814 78171.8637 64607.8010 139988.4158 102999.6503 167899.7934 44580.4829 64743.5897 61056.2419 156096.3211 100978.9286 87861.2440 65029.8858 160092.6518 118530.9066 238650.0000 110408.5714 15347.1338 66426.0223 56284.0306 120839.4912 90404.7170 66388.5768 127424.6436 47173.8281 103196.5933 156098.4076 160720.9146 11098.9899 7901.4675 45035.5649 117653.4460 47526.8172 110558.0537 42970.3657 68902.9523 54373.0670 52836.7347 45201.1494 88733.9704 31070.3325 102858.1781 52117.8862 37610.8522 24095.1417 5862.5592 145371.3109 23046.8227 59301.2608 30333.0206 74523.9952 57448.9117 65351.9270 70456.4394 28527.4151 71483.2402 249047.3888 79595.1973 54694.2568 192997.6027 209935.2720 75005.6747 72637.7483 22622.7273 516678.4922 36430.3922 237196.4406 129904.5584 34701.3964 58705.6893 44541.2475 29966.1509 530808.2937 61400.7692 88730.5349 7522.2222 20319.8259 29215.0838 35244.6114 17609.3248 66832.3108 4871.0000 4490.0000 5124.0000 4253.0000 4125.0000 6778.0000 myristic acid 8438.4906 4511.7188 5583.7856 5805.3668 6420.8360 6664.3921 10495.0331 10601.1450 6350.6224 7648.5457 10542.2680 8372.5817 10449.4491 10058.3967 7556.2130 8523.1716 7327.5754 9026.8049 3989.5288 8925.2632 3942.3440 8206.5440 5865.8114 4362.1943 10961.9450 11472.4576 8368.0203 9706.6953 17000.6262 18103.8462 14776.8595 11252.5151 5683.7607 11251.9506 11734.1137 14362.5000 12287.0813 10059.7717 15633.5463 7423.7637 8887.0000 17891.4286 6507.4310 5372.1190 12350.0295 14684.7365 5869.8113 7856.7416 8441.9552 8085.9375 12735.6281 14184.0764 23697.3773 4535.3535 5744.2348 8342.0502 11006.1768 10634.4390 7302.6846 6563.6822 4695.0377 7035.1160 15339.3966 4770.1149 10958.6930 4855.8184 10258.7992 7326.2195 7469.0413 7504.0486 5905.2133 16297.1860 4259.1973 9923.6894 6359.2871 4994.0012 5059.5526 13016.2272 9478.2197 16866.1880 9299.8138 52185.6867 10358.4906 8393.9189 20750.3425 13065.1970 7287.2005 8990.0662 6923.8636 18501.1086 6663.7255 6898.5897 42478.6325 13988.1848 9907.0022 8767.6056 8901.3540 10430.6594 11801.5385 10277.5897 7031.4815 15190.8908 5125.6983 7088.5042 11247.5884 13859.9182 4503.0000 20449.0000 4984.0000 17332.0000 5686.0000 7943.0000 nicotinamide 277.3585 227.1635 233.0393 219.0897 284.9905 225.1861 624.8344 417.9389 304.9793 306.4404 318.5567 420.2802 881.7239 641.6724 375.7396 482.2592 345.7915 613.2952 136.8736 420.0000 347.8261 154.3967 380.7212 223.0668 399.5772 1396.1864 674.4017 227.5799 512.8366 420.6294 579.5455 779.6781 315.1709 364.7594 2129.0970 489.6429 307.5871 362.6595 515.6550 686.1264 1850.0000 1022.8571 153.9278 350.1859 642.6046 748.6372 626.4151 382.9588 475.5601 664.0625 962.3847 327.7070 460.9953 155.5556 164.5702 410.0418 745.1235 328.1581 897.9866 1171.8159 413.6307 699.7423 400.6211 407.0881 1450.9864 507.3529 862.3188 726.6260 192.7430 896.7611 122.0379 956.4173 281.9398 654.9436 522.5141 296.9406 605.8041 293.6105 587.1212 1125.9791 347.2998 494.1973 437.3928 263.5135 645.2055 4111.6323 299.8108 271.1921 277.8409 6291.5743 433.3333 4547.3472 3421.6524 338.3459 653.1729 1182.0926 708.8975 2022.0938 775.3846 872.3764 200.0000 946.4166 325.8845 664.2717 435.0482 302.6585 184.0000 150.0000 130.0000 174.0000 157.0000 135.0000 N-methylalanine 1441.1321 603.0649 1173.3379 677.6495 1182.7106 1069.1687 4794.0397 6449.4275 817.4274 732.3407 1382.4742 672.4483 1850.9397 2259.8480 809.6647 1529.3266 1189.0704 1845.2466 1103.9641 1168.4211 820.4159 1025.5624 883.1484 694.9769 1787.5264 3819.9153 1798.0421 1788.3907 2813.0870 1150.6993 4987.6033 4046.2777 2519.2308 1982.7698 2167.2241 1545.0000 822.2830 1445.6011 1757.8275 2261.3324 4814.0000 5915.7143 622.0807 1158.7361 1188.8627 2296.7898 1806.6038 1907.3034 1554.9898 6082.0312 3587.6508 1499.0446 2978.8164 1444.4444 1277.7778 1298.1172 2391.4174 2225.1235 1265.4362 1207.7554 796.1683 1447.8093 1207.1872 1255.7471 2368.3724 12627.2378 1155.2795 1857.7236 982.6897 2773.2794 863.7441 2991.7639 1367.5585 1183.4771 2583.4897 978.1044 1214.3289 2134.3813 1937.5000 1641.9713 1601.4898 3920.6963 2286.0206 2007.7703 5109.2466 6890.7129 1622.0050 2362.2517 1779.5455 8695.1220 2346.0784 4281.3969 16186.6097 1857.6799 1852.2976 2731.3883 3867.5048 3264.1060 3289.6154 1686.8653 886.1111 1454.7890 1129.4227 2727.6290 1639.8714 3144.1718 9623.0000 8792.0000 8947.0000 9614.0000 8835.0000 11554.0000 nonadecanoic acid 362.2642 327.2236 510.8548 425.9511 371.4376 477.3573 372.5166 791.0305 366.1826 625.3463 386.5979 305.2035 428.7103 506.9108 499.0138 570.2390 375.0000 477.1265 528.4218 465.2632 461.2476 377.3006 342.2330 354.9240 644.8203 420.5508 664.6120 658.7838 593.6130 476.2238 651.8595 570.4225 587.6068 589.0767 386.2876 532.5000 661.3124 465.4130 731.3099 567.6511 416.0000 635.7143 490.4459 543.1227 529.4638 383.4040 474.5283 293.0712 572.3014 449.2188 480.1278 342.9936 683.9274 439.3939 534.5912 813.8075 563.7191 389.5554 347.3154 552.3329 336.3693 358.5696 915.7054 332.3755 551.1714 539.9616 429.6066 360.7724 333.5553 524.2915 426.5403 382.9787 463.5452 351.3603 371.4822 415.7169 454.3531 832.1501 735.7955 789.1645 770.9497 888.7814 1798.4563 348.6486 543.4932 524.8593 491.8033 468.8742 923.8636 609.7561 706.8627 361.6521 548.4330 828.1418 636.7615 446.6801 685.6867 481.3052 1066.1538 498.6459 290.7407 454.1192 394.7858 438.9288 475.5627 342.5358 2493.0000 2559.0000 3035.0000 2499.0000 1864.0000 4876.0000 octadecanol 244.5283 205.5288 206.5807 172.2147 279.2907 202.8536 220.5298 230.9160 226.1411 179.7091 311.3402 270.1801 162.3461 180.3732 252.4655 199.8552 317.5251 197.2838 246.8212 184.2105 177.6938 234.1513 173.7171 162.5909 221.9873 382.4153 184.9166 238.6364 108.9543 248.6014 345.0413 430.5835 139.9573 269.1808 174.5819 202.5000 213.2604 135.9973 148.5623 218.4066 177.0000 212.8571 165.6051 247.5836 318.2086 287.0987 241.5094 229.4007 349.2872 188.4766 174.5919 279.9363 274.3779 193.9394 202.3061 273.0126 197.9844 213.8320 270.8054 209.9622 175.2513 235.8247 204.9689 188.6973 212.7004 148.6573 281.5735 202.2358 231.6911 239.8785 175.3555 178.1057 298.9967 155.2754 242.0263 269.0462 194.0750 669.3712 150.5682 136.0966 297.0205 211.7988 246.9983 287.8378 323.6301 408.0675 186.3178 259.2715 342.6136 213.9690 228.4314 263.9355 532.7635 414.0709 293.2166 256.5392 341.3926 424.2012 349.6154 237.6439 225.9259 288.3456 236.4991 196.9301 327.0096 212.6789 149.0000 184.0000 170.0000 200.0000 178.0000 262.0000 oleic acid 3075.8491 1004.2067 734.7354 9883.4918 3861.6213 3086.5385 6453.9735 3824.4275 902.4896 4565.4432 8915.4639 3254.1694 9701.8795 6634.4160 6520.7101 8506.8791 5211.3693 12200.5004 2933.8070 9206.3158 1350.6616 3949.8978 4026.6990 996.3648 18782.2410 4122.8814 5993.4735 13620.7002 54140.8892 22256.6434 16660.1240 12361.1670 4339.7436 12798.7646 5761.2040 21821.7857 17338.6876 27002.0148 14654.9521 34731.7994 2485.0000 8535.7143 970.2760 5649.8141 22578.6682 13175.6511 2289.6226 6694.7566 9937.8819 5021.4844 9530.1632 12532.1656 41981.8426 526.2626 1278.8260 3752.0921 14852.7308 5544.8130 1882.5503 1362.8625 1859.9246 3796.3918 8279.9468 1098.6590 7562.8853 2367.9668 6545.5487 4346.5447 5995.0067 2737.8543 669.4313 18955.3878 5600.6689 15129.3962 1504.6904 753.1494 3694.6796 28799.6957 2762.3106 19134.7911 15765.3631 47019.3424 6403.9451 13426.0135 27215.7534 3406.6604 3539.0921 4472.1854 3893.1818 10073.1707 4095.0980 3108.7979 45280.6268 4872.1805 1446.3895 3338.0282 3698.2592 5449.3542 12699.2308 5798.9167 2314.8148 10657.7361 5167.5978 1755.7152 9346.3023 11021.4724 1725.0000 2063.0000 2170.0000 1748.0000 1822.0000 3115.0000 ornithine 3015.8491 528.2452 761.1940 1479.6196 815.0728 1032.8784 3963.5762 3043.8931 799.7925 1416.8975 1129.8969 2487.6584 2109.5269 2790.6012 1434.9112 1445.6915 728.3291 1824.8749 1993.6425 1527.3684 1143.6673 1150.3067 1295.0763 819.8942 2801.2685 4202.3305 1328.1363 1353.5012 2456.1678 2186.0140 2824.3802 3043.2596 2544.8718 2320.2211 4122.7425 1442.1429 1496.9241 1374.0766 2838.9776 1906.9368 5986.0000 2684.2857 1377.9193 1263.5688 2503.2410 4629.9213 3433.0189 1294.9438 1478.6151 2807.6172 2926.5436 2138.2166 1648.2851 2549.4949 2665.6184 1193.5146 2814.6944 7995.4128 1532.2148 1680.6431 1833.5427 2173.6469 2359.8048 979.8851 8839.0875 1773.3376 3451.3458 2381.0976 1564.9134 2341.0931 893.3649 4982.8415 2154.1806 2474.4526 3001.8762 1221.0558 1858.2225 5120.6897 4955.4924 748.0418 1864.9907 9315.2805 3428.3877 2478.0405 2955.8219 7636.4916 1813.0517 2588.7417 2023.2955 17519.9556 4337.2549 6246.8099 11525.6410 2237.9162 4460.6127 7051.3078 3531.9149 4100.2719 5361.9231 5273.8659 3955.5556 3590.7569 1099.6276 5430.7642 4248.2315 18079.7546 27607.0000 21914.0000 29560.0000 22486.0000 22802.0000 34052.0000 oxalic acid 220.7547 78.4255 130.2578 112.0924 61.7479 175.8685 198.6755 332.0611 199.1701 138.1579 281.4433 137.0914 327.6086 212.5086 133.1361 159.6669 196.9221 127.5911 109.9476 222.1053 115.3119 109.4070 153.9528 129.8744 62.3679 455.5085 69.6157 125.3071 156.8566 124.8252 321.2810 240.4427 84.4017 159.9480 335.1171 261.4286 247.0950 121.8939 231.9489 64.9038 698.0000 2502.8571 127.3885 167.2862 8.8391 222.5924 232.0755 147.9401 64.1548 462.8906 265.0816 371.6561 564.8958 166.6667 170.8595 2687.2385 336.4759 129.1461 246.6443 182.5347 156.4070 178.8015 316.7702 117.8161 224.7226 217.7110 178.0538 231.7073 140.8123 205.4656 127.9621 62.8003 65.2174 228.9317 178.2364 906.1188 129.6856 205.3753 226.3258 89.0992 183.4264 317.2147 90.0515 112.5000 685.2740 540.3377 122.0050 386.4238 150.0000 1126.3858 161.7647 198.4553 1841.8803 475.2954 134.5733 70.4225 84.1393 803.5350 407.3077 136.0867 162.9630 1210.6497 173.1844 212.6061 600.9646 305.7260 5893.0000 6686.0000 2194.0000 4440.0000 3312.0000 7179.0000 oxoproline 19691.3207 8801.6827 13166.2144 11171.5353 13540.8486 16962.4690 44745.6954 33389.3130 12094.3983 11039.1274 23314.4330 37810.2068 30556.0596 50506.5653 19725.8383 14552.4982 16589.5101 24383.8456 9999.6260 31688.4211 6819.4707 5930.4703 23564.1470 10348.3146 20656.4482 83522.2458 19157.3604 13674.1400 32436.4433 26560.4895 26973.1405 33678.0684 17798.0769 27559.8180 77679.9331 48750.0000 14500.6835 13714.5735 37585.3035 28559.7527 143270.0000 47707.1429 8105.0955 20024.1636 23069.2398 53412.1744 22776.4151 12974.7191 18533.6049 45899.4141 56756.2101 32918.7898 38783.1204 19912.1212 20601.6771 15883.8912 73026.0078 44755.4693 51096.6443 38007.8815 22166.4573 31641.1083 25012.8660 16988.5058 73705.3021 39953.3248 56379.9172 26668.6992 27635.1531 30836.0324 10661.1374 44224.7769 10575.2508 138631.0551 22081.6135 55175.1650 41485.7920 40720.5882 69744.3182 14490.8616 60118.2495 126585.1064 233477.7015 24077.0270 46197.9452 167262.6642 58793.1904 25837.7483 42383.5227 267478.9357 75681.3726 191549.6978 155421.6524 20018.7970 46354.4858 80673.0382 79468.0851 87356.9001 325753.8462 76916.3846 19834.2593 24531.4802 33270.0186 50434.6832 26405.7878 88382.4131 108744.0000 83849.0000 101563.0000 103729.0000 46234.0000 128423.0000 palmitic acid 39579.6226 19015.9255 22218.1140 37515.2853 29167.8277 25144.5409 42478.8080 41490.4580 25266.5975 38563.7119 31235.0516 28463.9760 33948.8010 37598.4796 34182.4458 41083.2730 22853.3292 42076.1258 23169.7831 51423.1579 21355.3875 32806.7485 28789.1817 19372.1084 45394.2917 39322.0339 34628.3539 44419.5332 84336.2555 62561.5385 57683.8843 50317.9074 31027.7778 45087.7763 32673.9130 53154.6429 55626.1107 51414.0363 42419.8083 57637.7060 26135.0000 50638.5714 24639.0658 34042.7509 52300.2357 43239.2489 17263.2075 28061.7978 39178.2077 31811.5234 37686.3023 38871.0191 77834.5662 24341.4141 29950.7337 37929.9163 47566.9701 41127.7346 22800.0000 22903.8462 26890.7035 32812.5000 54722.7152 13451.1494 43910.6042 15575.4476 31586.9565 25402.4390 31728.6951 30102.2267 22926.5403 55148.9362 28459.8662 44214.6649 22652.9081 22561.1878 24756.3482 73644.5233 31035.0379 54838.1201 40594.0410 118280.4642 52550.1715 45240.2027 69442.8082 44988.7430 28256.9357 30033.7748 42069.8864 55036.5854 29443.1372 30199.4627 128675.2137 47115.4672 34730.8534 29476.8612 34572.5338 34351.1217 41565.0000 35226.1341 27570.3704 47229.4039 27542.8305 28957.5441 36910.6109 49907.9755 23332.0000 27533.0000 24183.0000 23916.0000 22294.0000 47069.0000 palmitoleic acid 1103.7736 574.2188 716.4179 1658.9674 2809.0564 1494.4169 2844.0397 1545.8015 601.6598 1028.3934 10643.2990 688.4590 3000.0000 1509.3296 1474.3590 3038.0159 2026.6960 3375.2680 563.2012 2529.4737 473.5350 2489.7751 2074.2025 794.1176 8663.8478 1512.7119 1421.6824 3122.5430 16607.0758 8973.7762 9495.8678 4120.7243 948.7179 3163.8492 3878.9298 5426.7857 11639.0977 7201.8133 5049.2013 7605.0824 1745.0000 3680.0000 565.8174 1274.7212 14231.8798 7735.3119 1189.6226 2338.9513 4035.6415 2634.7656 4040.0994 5216.5605 20061.8695 1478.7879 1075.4717 1540.7950 4334.2003 2585.0388 2118.1208 831.3367 1001.5704 2528.3505 3127.7728 919.5402 2822.4414 1719.6292 4122.1532 2455.2846 1761.6511 1084.0081 646.9194 5033.2876 988.2943 2931.3205 343.3396 548.8902 1831.0157 11586.2069 1905.3030 6104.7650 3154.5624 25133.4623 593.0532 3873.6486 8132.8767 2852.2514 775.5359 557.2848 1707.9545 6290.4656 1833.3333 2798.5225 22428.7749 977.9807 1000.0000 1240.4427 1310.4449 3262.0666 4105.3846 3594.1097 1448.1481 3563.6303 1646.1825 764.2064 2992.2830 6054.1922 982.0000 1038.0000 1373.0000 947.0000 948.0000 1593.0000 p-cresol 45045.2830 29745.7933 36120.0814 34115.8288 34866.6878 31209.6774 40072.8477 39899.8092 36698.1328 39370.8449 29671.1340 32880.9206 35931.9508 37657.5674 40349.1124 43855.1774 33548.3668 40563.2595 40450.6358 36989.4737 37507.5614 36759.7137 36267.3370 36809.9802 40281.1839 39508.4746 39127.2661 37711.9165 36301.5028 41864.6853 46794.4215 41049.2958 41689.1026 38817.6203 36041.1371 37321.0714 42079.9727 31857.6226 36528.1150 35342.7198 37657.0000 49854.2857 41493.6306 41060.9665 34518.5622 36238.0376 31847.1698 31530.8989 35286.1507 38096.6797 39918.7367 30788.2166 39479.1527 35215.1515 41500.0000 36329.4979 36500.3251 41354.2696 37258.3893 33626.1034 33006.5955 35640.4639 52389.5297 24505.7471 35043.7731 34618.9258 35087.9917 36907.5203 35299.9334 39397.7733 40145.7346 38436.8565 36413.3779 36033.8421 33932.4578 32641.8716 32136.6384 57021.2982 35906.2500 33660.9008 36078.2123 36288.2012 49056.1750 39527.0270 39191.0959 52162.2889 34679.6974 40018.2119 58075.5682 45280.4878 33852.9412 37931.1618 57792.0228 61730.3974 42316.1926 35490.9457 35569.6325 34427.6003 42057.6923 38423.1550 31415.7407 37277.9638 31291.4339 38632.5931 33552.7331 39983.6401 44491.0000 45698.0000 53069.0000 49992.0000 55351.0000 37522.0000 pelargonic acid 1096.9811 6298.3774 11122.7951 1589.6739 4342.3053 8137.4069 1718.5430 6506.6794 9254.1494 6693.9058 3741.2371 3681.4543 2574.2061 3279.8894 1606.5089 8026.7922 8925.5653 2799.4996 1296.9334 3260.0000 1415.8790 2033.7423 5375.8669 2953.4038 1612.0507 9899.3644 4440.1740 1398.6486 1564.8090 1055.2448 2099.1736 1797.7867 1755.3419 1614.1092 7924.4147 4973.5714 1627.1360 1507.0517 1430.0319 1413.4615 9379.0000 9628.5714 7641.1890 3285.5019 1704.1839 2808.2980 1819.8113 2592.6966 1793.2790 8347.6562 9657.9134 4180.8917 8609.6167 4954.5455 1051.3627 4585.7741 5533.8101 2217.7135 11407.0470 4537.8310 1215.4523 3506.4433 6274.1792 2351.5326 4321.5166 8170.3964 9043.4783 12770.3252 7587.8828 3751.0121 11809.2417 2008.5793 1490.9699 5762.1102 2874.2964 10422.6155 2765.1149 1970.0811 3446.0227 13841.7102 1354.7486 1212.7660 2400.5146 1622.6351 2059.9315 8590.5253 5009.7730 1624.1722 2052.2727 1422.3947 1456.8627 9203.4923 19519.9430 10773.8990 10250.5470 3190.1408 2424.5648 3764.7859 11591.5385 5923.8321 1890.7407 4977.2271 7953.4451 916.0679 2547.5884 4408.9980 3426.0000 8286.0000 3527.0000 4093.0000 4176.0000 16904.0000 pentadecanoic acid 2652.4528 896.0337 990.1628 1516.3043 1102.9132 1812.6551 1228.8079 3313.9313 1130.7054 1823.0609 1535.0515 2529.6865 1644.8477 3086.0401 1517.7515 1677.0456 1011.9347 2334.1673 1264.3979 3307.3684 1015.1229 1341.5133 1797.5035 1154.9901 3174.4186 4110.1695 1795.8666 1843.6732 5776.4559 4740.2098 1924.5868 1468.8129 1512.8205 2279.2588 1682.6087 3271.0714 2467.8742 2367.3606 2687.5399 2596.1538 2291.0000 4268.5714 985.1380 1444.2379 1936.6529 3654.1490 819.8113 1602.9963 1849.2872 715.8203 2115.3300 3305.7325 3457.9691 1619.1919 1644.6541 1367.1548 3468.1404 2551.1644 1384.2282 1066.8348 1035.4899 1195.5541 2277.2848 849.6169 2326.7571 1335.0384 2772.2567 1345.5285 1750.6658 1432.1862 918.2464 3777.2821 1206.0201 2684.4725 1089.1182 959.2082 1182.5877 3103.4483 2115.5303 2609.3342 2036.3128 11136.3636 2764.5798 2128.3784 6061.6438 1037.0544 1730.7692 1508.9404 1810.2273 4315.9645 1729.4118 2865.0101 4376.0684 2460.2578 2208.9716 1543.2596 1481.6248 1834.4663 1978.8462 1529.4516 1396.2963 2492.6323 1277.4674 2836.3814 1630.2251 3493.8650 6915.0000 4796.0000 8098.0000 7226.0000 5716.0000 8451.0000 phenylalanine 1646.0377 530.9495 630.9362 789.7418 751.4250 1259.9256 3889.0728 4901.7176 846.4730 1195.6371 1376.2887 2639.7598 3164.2903 2997.9267 1557.1992 915.6408 1060.9296 2230.1644 961.4809 1253.6842 967.8639 581.7996 1138.0028 590.8790 2053.9112 6306.1441 2564.9021 2163.3907 2788.6662 917.8322 2896.6942 4602.6157 1122.8632 2295.8388 7307.3579 2523.2143 2228.9815 1222.9684 3092.9712 2644.5742 10516.0000 5177.1429 1039.2781 753.9033 3588.6859 2374.0157 3148.1132 1668.5393 1458.2485 5607.4219 2664.6558 3311.4650 2673.1675 1542.4242 2279.8742 2878.6611 4202.5358 7631.2632 4447.6510 3271.4376 1788.3166 4162.6933 2759.0949 1311.3027 11387.7928 3984.9744 5080.7453 3972.5610 1516.9774 5393.7247 535.5450 5241.2491 1708.6957 2241.5395 4021.5760 2121.7756 4031.1366 5402.1298 5751.8939 1638.0548 2478.5847 7346.2282 2782.5901 4494.9324 4180.4795 21997.6548 3181.5889 2595.6954 1910.7955 47467.8492 6740.1961 11073.2035 26921.6524 2645.5424 3678.3370 6197.1831 3288.2012 6341.6044 9636.9231 9416.3846 4009.2593 4491.9625 2271.8808 3638.7982 8371.0611 20056.2372 13421.0000 11397.0000 14018.0000 10519.0000 10298.0000 18083.0000 phosphoethanolamine 93.9623 117.1875 143.4871 315.8967 55.0982 157.2581 132.1192 76.3359 85.0622 156.8560 203.0928 101.0674 324.6922 143.0546 79.8817 155.3222 110.2387 53.6097 125.6545 121.0526 100.1890 143.1493 163.3148 74.3556 205.0740 182.2034 69.6157 130.8354 703.5066 98.6014 209.7107 282.6962 131.4103 454.4863 601.0033 190.7143 180.4511 81.5984 327.7955 181.3187 546.0000 225.7143 101.9108 126.0223 134.3547 160.8116 272.6415 146.0674 144.6029 90.8203 330.0213 104.1401 376.2609 72.7273 154.0881 104.6025 839.7269 246.6478 174.1611 215.6368 199.7487 122.7448 85.1819 145.5939 1616.5228 97.8261 144.9275 253.0488 81.8908 159.9190 91.2322 262.5257 122.4080 56.7352 72.2326 179.0642 69.8307 187.1197 90.9091 176.2402 480.4469 116.0542 167.2384 281.7568 302.0548 1630.8630 72.8247 783.7748 126.1364 1626.3858 150.0000 654.8019 216.5242 162.7282 194.7484 187.1227 200.1934 966.6893 169.6154 143.1957 136.1111 84.3938 68.9013 126.3880 139.8714 719.8364 125.0000 81.0000 149.0000 82.0000 140.0000 114.0000 proline 2744.1509 1321.5144 738.8060 5556.7255 2400.5700 4252.4814 14602.6490 14671.7557 1137.9668 1723.3380 3143.2990 7064.7098 9885.6124 11101.2440 5593.6884 2370.0217 2532.6633 3505.0036 2887.8085 3680.0000 1449.9055 1531.6973 2228.1553 1030.0727 5486.2579 13402.5424 8820.5221 4705.4668 6541.0144 2417.8322 10966.9422 8234.4064 3670.9402 10026.9831 9660.2007 3100.7143 6520.8476 3010.0739 11980.8307 4241.4148 31030.0000 10977.1429 2915.0743 1854.6468 12885.6806 7790.7329 8188.6792 6215.3558 3358.4521 23303.7109 5676.3662 9876.1146 4472.7640 3661.6162 3966.4570 6797.0711 12037.0611 10127.3818 4901.6779 7420.5549 6698.1784 6936.5335 4040.8163 3191.5709 15707.4599 9773.9770 10238.0952 11070.1220 4904.4607 10952.4291 1232.2275 10777.9684 3863.8796 7142.6676 8644.4653 1367.7265 6207.6784 13752.5355 11778.4091 4518.6031 6328.6778 15812.3791 6969.9828 10044.9324 17134.9315 28803.9400 5287.8310 14216.2252 4828.9773 141509.9778 11132.3529 23827.7367 65881.7664 8278.1955 8997.8118 16071.4286 8032.8820 14233.1747 24165.0000 15282.3291 7349.0741 8724.7153 3964.6182 8168.1907 9558.5209 37741.3088 105332.0000 94791.0000 105203.0000 102154.0000 101861.0000 129135.0000 propane-1_3-diol NIST 1058.4906 503.0048 562.7544 560.4620 925.2692 694.1687 767.8808 922.7099 954.3568 1041.8975 782.4742 844.5630 716.4614 738.0788 786.9822 897.1760 572.8643 659.3996 677.6365 925.2632 973.5350 838.4458 814.4938 954.7257 500.0000 935.3814 546.0479 796.9902 974.0138 936.7133 850.2066 988.9336 959.4017 891.4174 808.6957 943.9286 682.8435 706.1786 743.7700 672.7335 747.0000 1091.4286 926.7516 933.4572 698.2911 940.3392 682.0755 485.0187 561.0998 730.4688 897.4450 505.4140 549.7646 560.6061 1009.4340 808.5774 320.8713 738.8850 1022.8188 491.8033 567.2111 996.4562 1408.1633 697.3180 959.9260 570.6522 772.2567 664.6341 806.9241 909.9190 491.7062 434.4544 674.2475 903.7823 1024.3902 696.4607 248.4885 1329.6146 90.9091 725.5222 770.0186 1015.4739 975.1286 822.9730 852.7397 1245.3096 735.8134 928.8079 1237.5000 2657.4279 780.3922 753.5259 1331.9088 1284.1031 61.2691 866.1972 915.8607 793.3379 803.0769 754.5701 144.4444 903.2150 583.7989 846.5056 887.4598 1005.1125 1044.0000 1088.0000 1122.0000 1205.0000 1376.0000 1005.0000 pseudo uridine 195.8491 124.3990 138.3989 224.1848 228.9424 149.8139 455.9603 333.9695 114.1079 156.8560 255.6701 210.1401 261.5036 430.2004 337.2781 275.8870 148.8693 244.4603 178.3844 241.0526 162.5709 213.7014 217.4064 253.8004 307.6110 468.2203 234.9529 210.0737 420.7890 184.6154 419.4215 143.8632 182.6923 263.3290 432.4415 367.5000 222.4880 165.2116 339.2971 260.6456 395.0000 251.4286 246.2845 167.2862 425.1621 403.3919 266.9811 207.8652 167.0061 589.8438 257.6295 239.8089 303.6315 213.1313 187.6310 472.8033 154.0962 328.1581 290.9396 230.7692 182.7889 768.3634 211.6238 181.0345 338.4710 163.0435 368.5300 224.5935 174.7670 316.8016 136.2559 343.8572 151.5050 263.7691 208.2552 234.8530 237.6058 418.3570 311.5530 199.7389 202.0484 390.7157 146.6552 233.1081 464.3836 398.2176 202.3960 307.9470 361.3636 1134.1463 195.0980 384.8220 535.6125 385.0698 475.9300 257.5453 220.5029 471.1081 361.1538 210.2234 130.5556 11667.4481 128.4916 350.7511 172.6688 370.1431 768.0000 968.0000 790.0000 758.0000 794.0000 1180.0000 putrescine 221.8868 146.9351 53.9349 388.2473 227.0424 103.2878 389.4040 145.0382 152.4896 204.6399 145.3608 174.1161 173.0395 356.5999 298.8166 85.8074 215.7663 292.7091 159.3119 156.8421 281.6635 179.9591 149.7920 210.1785 286.4693 331.5678 303.4808 212.8378 147.4640 571.6783 712.8099 118.7123 151.7094 287.7113 381.2709 139.2857 376.2816 207.5218 297.1246 143.2005 356.0000 327.1429 227.1762 720.4461 198.8804 304.3610 337.7358 110.4869 354.3788 80.0781 150.1065 202.5478 219.9059 265.6566 784.0671 210.2510 548.1144 1497.8829 180.2013 189.1551 506.9095 429.1237 407.2760 146.5517 331.9975 144.8210 166.6667 567.0732 176.7643 214.5749 130.3318 376.8016 628.0936 154.2800 264.5403 138.5723 466.1427 760.6491 290.7197 221.2794 257.9143 874.2747 364.0652 709.4595 353.4247 302.5328 339.5334 210.5960 342.6136 943.4590 212.7451 861.3163 1254.9858 483.3512 1682.7133 218.3099 218.5687 283.4806 361.1538 508.8016 267.5926 295.3784 185.2886 255.7152 676.2058 767.8937 113.0000 133.0000 122.0000 132.0000 109.0000 137.0000 pyrophosphate 890.9434 1243.0889 1448.1004 6471.8071 1668.1444 1052.4194 7508.9404 3486.6412 1016.5975 1033.5873 1904.1237 2903.9360 3063.1886 4239.8065 3017.7515 2241.8537 2776.6960 2550.7505 1147.7188 1585.2632 2171.0775 1060.3272 1723.6477 1315.5981 3905.9197 3811.4407 1987.3096 1615.1720 7127.1133 1946.8531 7586.7769 1526.1569 2573.7179 5017.8804 3690.3010 5000.3571 4560.4921 3957.0181 6023.0032 4584.4780 2303.0000 2992.8571 832.2718 2232.7138 3841.4850 3771.3507 5193.3962 1101.1236 3750.5092 1597.6562 7810.8588 5279.6178 9464.0215 927.2727 558.7002 549.1632 9486.6710 1830.2752 2341.6107 1387.4527 4449.1206 3079.2526 3350.0444 1448.2759 3552.0962 3632.9923 3038.3023 1535.5691 3006.9907 1808.7045 786.7299 2580.9883 1773.9130 3913.7359 2318.0113 3231.2537 3921.4027 3988.8438 2253.7879 934.0731 6060.5214 4274.6615 9648.3705 7034.7973 9998.6301 9071.7636 4976.6709 11864.9007 3008.5227 8207.3171 2778.4314 3546.0040 4444.4444 2352.3093 2903.7199 1409.4567 795.9381 9520.0544 3360.0000 4877.7928 637.0370 1920.9645 1495.3445 3128.3475 714.7910 3739.2638 1543.0000 1074.0000 671.0000 1573.0000 1590.0000 709.0000 pyruvic acid 371.3208 133.4135 238.1275 271.0598 147.2451 299.6278 360.5960 1038.1679 319.5021 384.3490 169.0722 658.4390 458.8464 260.1935 270.2170 402.9689 207.2864 295.9257 253.5527 577.8947 244.8015 317.9959 189.3204 196.2987 223.0444 980.9322 271.9362 329.8526 293.0495 353.4965 1096.0744 1056.3380 267.0940 263.3290 472.5753 309.6429 287.0813 268.9725 1049.5208 395.6044 547.0000 761.4286 268.5775 213.0112 734.5315 292.5500 1670.7547 248.1273 330.9572 483.3984 1286.0185 511.1465 270.3430 430.3030 339.6226 189.3305 394.9935 481.6514 214.4295 480.4540 209.1709 270.6186 453.8598 273.9464 1123.6128 274.2967 632.5052 328.2520 282.6232 748.9879 336.4929 803.0199 318.0602 592.2362 909.0056 327.5345 298.3676 1001.0142 1243.3712 254.5692 218.8082 2698.2592 396.2264 334.4595 861.9863 734.5216 579.7604 241.3907 432.9545 1829.2683 404.9020 712.2230 629.6296 505.9076 750.5470 810.8652 607.3501 547.5867 1236.9231 356.4658 256.4815 385.8004 433.8920 430.1110 535.3698 925.3579 3660.0000 2302.0000 3967.0000 1880.0000 4499.0000 2268.0000 ribose 254.7170 105.4688 154.6811 108.0163 107.3464 123.7593 115.2318 366.4122 98.5477 175.5540 126.8041 71.0474 167.2067 350.3801 86.7850 149.8914 105.5276 195.1394 131.2640 244.2105 97.3535 75.6646 87.3786 131.8572 332.9810 226.6949 160.9862 128.9926 207.5767 230.7692 328.5124 198.1891 200.8547 273.0819 394.3144 205.7143 133.2878 103.7609 164.8562 325.5495 715.0000 434.2857 128.4501 126.0223 449.0277 295.2756 464.1509 99.2509 237.2709 182.6172 463.0944 195.8599 194.6873 154.5455 248.4277 106.6946 314.0442 679.6048 185.2349 119.1677 195.9799 607.9253 183.6735 187.7395 673.2429 351.9821 632.5052 383.1301 199.7337 650.8097 165.8768 388.1263 260.8696 297.6111 235.4597 352.7295 378.1741 616.1258 678.0303 130.2219 218.8082 749.5164 259.8628 484.4595 336.9863 875.2345 313.9975 228.4768 630.6818 5026.6075 576.4706 940.8999 2754.9858 165.9506 528.4464 789.7384 347.1954 2071.0401 598.8462 829.7224 51.8519 406.8989 144.3203 371.3259 301.9293 1023.5174 249.0000 209.0000 173.0000 156.0000 193.0000 211.0000 salicylaldehyde 404.1509 364.1827 670.6242 481.9973 360.9880 351.7370 647.6821 856.8702 489.6266 347.9917 483.5052 226.1508 551.1990 614.7201 517.7515 382.3316 243.0905 285.2037 562.0793 353.6842 270.3214 245.3988 301.6644 228.0238 839.3235 527.5424 450.3263 693.7961 606.7627 525.5245 926.6529 758.5513 614.3162 423.2770 720.4013 619.2857 391.6610 335.4600 767.7316 506.8681 1009.0000 862.8571 401.2739 322.3048 601.0607 443.3677 601.8868 455.0562 644.6029 508.7891 514.1945 784.3949 475.1177 390.9091 301.8868 473.8494 561.7685 374.7354 723.8255 709.3317 406.0930 416.5593 692.1029 527.7778 848.9519 890.0256 581.7805 603.6585 242.6764 394.7368 404.0284 354.1524 390.3010 403.1188 440.9006 309.5381 330.1088 739.3509 378.7879 518.9295 527.9330 498.0658 688.2504 595.9459 508.5616 1424.0150 526.7970 768.8742 947.7273 4427.9379 351.9608 1187.7099 1225.0712 578.4103 570.0219 758.5513 661.5087 748.4704 338.0769 973.9336 734.2593 626.9257 294.2272 377.2044 587.4598 1371.1656 2513.0000 2260.0000 2240.0000 2253.0000 2121.0000 2936.0000 serine 5135.0943 1623.4976 4928.4261 3933.4239 2593.4136 4043.1141 8911.5894 11718.5114 3628.6307 3688.7119 3555.6701 5990.9940 9839.9222 6439.5301 7642.0118 4063.3599 2808.7312 4853.8242 6271.5034 5382.1053 3477.3157 2546.0123 3689.6671 1344.3490 5771.6702 13622.8814 6187.0921 4408.7838 6900.7514 4105.5944 8452.4793 10624.7485 6783.1197 6290.6372 14172.2408 4431.4286 5814.4224 4260.2418 9372.8435 6908.6538 20499.0000 17161.4286 3269.6391 3050.1859 11377.7254 5486.6747 8093.3962 4714.4195 4054.9898 15093.7500 11562.4556 7233.4395 6299.5965 5351.5152 5100.6289 6278.2427 8901.4954 15137.6147 11637.5839 7450.8197 5757.8518 11971.9716 9842.5022 5258.6207 21117.4476 7429.0281 10346.7909 9718.4959 5109.1878 11369.4332 1720.3791 16555.5937 6249.8328 8961.1812 8394.9343 6726.1548 8889.3591 16531.9473 12768.9394 3324.0862 5168.5289 16689.5551 8212.6930 9613.1757 10398.2877 35856.4728 7602.1438 6800.6623 5343.7500 81548.7805 12021.5686 22928.1397 55364.6724 6074.1139 7638.9497 11847.0825 8184.7195 17870.4963 19332.6923 23817.1970 8517.5926 12043.2016 9529.7952 6988.5696 15021.2219 33210.6340 21696.0000 20275.0000 21765.0000 22302.0000 22244.0000 35611.0000 sorbitol 190.1887 155.0481 218.7924 149.7962 184.2939 156.3275 275.1656 367.3664 244.8133 282.5485 202.0619 6870.5804 213.8691 12242.5708 283.0375 360.6083 180.9045 416.0114 245.6993 323.1579 196.5974 417.1779 205.9639 222.0753 349.8943 462.9237 3221.8999 4260.4423 631.1835 495.1049 559.9174 223.3400 621.7949 503.2510 366.2207 279.6429 323.9918 550.0336 168.6901 277.1291 665.0000 427.1429 228.2378 360.2230 241.3082 380.6784 310.3774 212.5468 292.2607 507.8125 358.7651 371.6561 11990.9213 287.8788 159.3291 251.0460 259.4278 1824.9824 310.0671 307.3770 240.2638 302.5129 255.5457 126.4368 430.9494 272.3785 521.7391 272.3577 3098.8682 274.2915 279.6209 914.2073 287.9599 221.9642 181.9887 332.9334 254.8368 680.0203 292.6136 27165.4700 310.9870 447.7756 883.7907 341.5541 561.9863 502.3452 268.6003 2337.4172 499.4318 951.2195 27188.2353 235.7287 917.3789 372.1805 251.6411 239.4366 234.0426 163.1543 286.1538 299.5938 226.8519 300.4019 321.2291 525.1470 248.8746 693.2515 882.0000 826.0000 1865.0000 666.0000 796.0000 1016.0000 spermidine 209.4340 80.2284 85.4817 110.0543 94.9968 64.2060 271.1921 135.4962 79.8755 177.6316 88.6598 161.1074 163.3182 313.0615 175.5424 146.6329 111.1809 245.5325 157.0681 110.5263 113.4216 52.1472 89.4591 93.1923 167.0190 177.9661 106.5990 108.7224 219.7871 156.2937 238.6364 129.7787 151.7094 233.0949 145.4849 135.0000 208.1340 114.8422 93.9297 197.8022 215.0000 190.0000 78.5563 143.8662 117.5604 127.1956 212.2642 66.4794 100.8147 91.7969 88.3605 152.8662 149.2939 129.2929 183.4382 114.0167 222.3667 423.4298 142.9530 194.8298 170.5402 136.2758 291.4818 113.9847 348.6436 164.0026 361.2836 152.4390 167.7763 124.4939 155.2133 136.9252 107.3579 156.2707 96.6229 98.0804 122.4305 214.5030 162.8788 111.6188 133.1471 91.8762 225.1286 154.0541 141.7808 1756.0976 152.2699 133.1126 177.2727 179.6009 204.9020 1298.5225 829.0598 149.8389 131.2910 122.7364 195.3578 248.8103 178.8462 117.8064 165.7407 136.6376 94.0410 171.4566 108.0386 239.2638 285.0000 180.0000 199.0000 148.0000 95.0000 207.0000 squalene 355.4717 147.8365 207.5984 664.4022 162.4446 183.3127 314.9007 1701.3359 173.2365 364.6122 203.0928 1738.1588 428.7103 866.6206 870.8087 687.5453 118.7186 257.3267 359.0127 918.9474 452.7410 297.5460 302.7046 210.1785 788.5835 333.6864 316.5337 224.8157 394.4897 525.5245 622.9339 849.0946 641.0256 516.9051 748.4950 180.0000 787.4231 301.2089 588.4984 2808.3791 238.0000 2492.8571 316.3482 326.7658 1232.1744 675.9540 421.6981 1054.3071 896.1303 503.9062 229.9503 318.1529 344.9899 425.2525 223.2704 876.5690 296.4889 431.8984 280.8725 181.5889 442.8392 246.4562 641.5262 365.9004 331.0727 329.9233 274.3271 620.9350 636.1518 250.0000 329.3839 368.5655 960.2007 259.7877 330.2064 161.9676 862.4547 1232.2515 3317.2348 403.3943 366.8529 1106.3830 1352.0583 491.5541 789.0411 887.8987 302.6482 426.1589 1094.3182 458.9800 2032.3529 428.1397 1867.5214 734.6939 572.2101 439.6378 288.2012 2228.0761 1363.8462 617.4678 458.3333 837.9102 407.8212 388.9615 387.7814 1101.2270 203.0000 213.0000 563.0000 355.0000 349.0000 643.0000 stearic acid 234918.1132 106521.6346 148178.4261 191800.2717 160781.1906 160425.5583 233210.2649 250434.1603 150129.6680 232917.5900 158900.0000 165157.1047 144397.6021 201612.6469 181602.5641 218922.8820 110746.5452 221445.6755 124274.4951 345443.1579 126663.5161 179629.8569 144695.9085 109340.3833 192911.2051 240054.0254 208712.1102 227296.9902 349954.6024 288098.6014 255546.4876 238786.7203 150848.2906 240559.8179 174370.2341 255038.5714 227188.9952 251884.1504 194969.3291 260051.1676 133326.0000 229974.2857 163221.8684 209058.7361 188075.4272 206804.6638 84707.5472 146502.8090 242202.6477 166349.6094 208787.4379 178053.8217 313134.8352 141872.7273 173561.8449 249063.8075 225080.9493 216128.0875 117977.5168 145072.5095 176657.0352 191234.5361 303763.9752 78828.5441 252565.0432 88772.3785 156963.7681 127099.5935 171413.4487 174515.1822 139530.8057 251442.0041 151458.8629 225429.9934 116024.3902 115523.3953 139562.5756 317140.4665 195278.4091 278073.7598 223899.4413 371817.2147 332345.1973 213950.6757 312318.4932 247791.2758 138018.9155 144668.5430 267813.0682 273643.0155 187444.1176 158251.5111 464786.3248 289269.6026 195456.2363 202859.1549 229369.4391 191716.5194 216175.3846 203434.3263 170034.2593 308521.7683 140312.8492 157381.4500 222657.8778 250792.4335 113677.0000 153454.0000 129633.0000 119706.0000 108615.0000 272799.0000 succinic acid 369.0566 70.3125 805.9701 152.8533 357.1881 521.0918 712.2517 199.4275 290.4564 322.0222 337.1134 433.2889 571.6137 675.8811 561.1440 589.7900 465.4523 449.2495 361.2565 489.4737 341.2098 440.6953 364.0777 254.7918 930.2326 1130.2966 476.4322 516.8919 467.7520 101.7483 585.7438 347.0825 423.0769 696.3589 888.9632 444.6429 636.7054 359.6373 1030.3514 330.7005 1351.0000 732.8571 268.5775 593.3086 290.8073 410.6602 355.6604 339.8876 646.6395 556.6406 996.4514 480.5732 288.5003 157.5758 327.0440 631.7992 377.4382 510.2329 507.3826 868.2219 473.9322 1323.1314 512.4224 144.6360 448.5203 607.0972 711.1801 798.7805 324.5672 607.2874 433.6493 519.9039 507.6923 694.7578 448.4053 655.9688 152.3579 788.0325 678.9773 436.6841 568.9013 1566.7311 586.6209 632.4324 991.4384 2325.9850 438.8398 173.8411 242.0455 3515.5211 379.4118 2801.5447 2405.9829 826.5306 677.2429 680.0805 306.5764 1150.2379 490.3846 797.2241 415.7407 594.7756 465.5493 484.9771 333.7621 882.4131 804.0000 789.0000 982.0000 818.0000 823.0000 1248.0000 sucrose 198.1132 100.9615 193.3514 104.9592 45.5985 139.5782 82.4503 147.9008 44.6058 95.5679 179.3814 74.0494 95.2690 77.7471 107.4951 218.3201 127.1985 52.5375 72.9245 185.2632 282.6087 201.4315 152.9126 70.3900 99.3658 360.1695 209.9347 105.0369 111.7721 374.4755 258.2645 314.8893 175.2137 120.9363 114.3813 42.8571 694.1217 219.6105 94.8882 166.8956 540.0000 210.0000 101.9108 99.2565 125.5156 114.4761 39.6226 67.4157 117.1079 31.2500 154.3648 448.0892 135.1715 121.2121 179.2453 95.1883 197.9844 151.3761 67.4497 123.8966 129.0829 533.5052 328.7489 110.1533 174.7842 146.7391 75.5694 47.7642 377.4967 64.7773 168.2464 96.7742 196.6555 181.1546 134.1463 90.8818 105.1995 320.9939 186.5530 88.1201 224.3948 294.9710 207.1184 41.5541 169.5205 529.0807 91.7402 71.5232 109.0909 289.3570 133.3333 186.3667 405.9829 98.2814 87.5274 70.4225 88.9749 255.9483 110.7692 157.4137 109.2593 322.5050 147.1136 106.7929 141.8006 281.1861 79.0000 119.0000 141.0000 55.0000 120.0000 68.0000 sulfuric acid 103.0189 301.9832 3170.9634 104.9592 113.9962 1945.7196 157.9470 1823.4733 3084.0249 87.2576 1877.3196 337.2248 156.5133 167.9337 93.6884 3986.2419 1439.6985 87.9199 114.4353 116.8421 89.7921 35.7873 202.8433 532.3860 280.1268 2072.0339 432.9224 146.4988 126.8003 182.5175 102.2727 1014.0845 210.4701 182.3797 889.9666 895.7143 100.4785 311.2827 338.3387 494.5055 1831.0000 1182.8571 62.6327 265.4275 352.6812 96.3053 333.0189 97.3783 564.1548 636.7188 865.5075 468.1529 3135.1715 140.4040 88.0503 93.0962 467.1651 98.4474 1147.6510 1242.7491 143.2161 259.0206 1044.8092 534.4828 502.1578 6472.8261 401.6563 181.9106 253.6618 1108.2996 123.2227 148.2498 75.2508 328.4672 89.1182 2738.1524 486.0943 267.7485 366.4773 140.0131 226.2570 185.6867 219.9828 163.1757 191.0959 1190.4315 144.7037 150.9934 419.3182 791.5743 226.4706 557.0853 202.2792 244.8980 198.0306 286.7203 161.5087 801.4956 616.1538 505.7549 131.4815 189.8861 377.0950 209.6669 160.1286 257.6687 329.0000 208.0000 555.0000 399.0000 256.0000 219.0000 taurine 3504.9057 590.4447 139.4166 1415.4212 1560.7980 764.8883 12451.9868 2328.2443 334.0249 1686.9806 1171.1340 3318.2121 4593.3247 4037.6641 2207.1006 871.1079 2329.1457 4711.2223 1280.1047 1380.0000 1402.6465 1102.2495 2062.7601 383.6748 4237.8436 3861.2288 3496.0116 4483.4152 3988.1027 4323.7762 8622.9339 1287.7264 3263.8889 4983.7451 4819.0635 1163.5714 3744.3609 1229.0128 6611.5016 9138.0495 9320.0000 3898.5714 1491.5074 1185.5019 2818.7979 6642.3380 8827.3585 2719.1011 6735.2342 3875.0000 1859.8297 3343.9490 2114.3241 759.5960 1177.1488 1496.8619 3535.4356 3260.4093 1428.5235 1491.4880 3047.1106 1919.4588 596.2733 1005.7471 5349.8767 1936.3811 5161.4907 6086.3821 1162.4501 2101.2146 513.0332 3107.0693 1354.5150 2755.1427 2191.3696 584.8830 3917.7751 5936.1055 2821.9697 661.8799 5128.4916 6508.7041 4418.9537 4602.3649 10324.3151 8976.0788 2655.7377 8428.8079 1106.2500 57538.8027 4041.1765 13886.8368 13911.6809 1127.8195 3969.3654 4565.3924 5364.6035 18507.8178 4716.9231 2518.6188 627.7778 1980.2411 1321.2290 11526.7799 1597.4277 4724.9489 1200.0000 1049.0000 1028.0000 725.0000 751.0000 1373.0000 threonic acid 475.4717 237.0793 261.5332 553.3288 542.4319 292.1836 1416.5563 829.1985 450.2075 342.7978 555.6701 421.2809 744.6533 1527.9889 612.4260 734.2505 612.4372 659.3996 402.7674 446.3158 356.3327 233.1288 519.0707 373.7607 760.0423 2467.1610 548.2234 603.5012 1105.5103 819.2308 1883.2645 224.3461 493.5897 596.8791 1658.5284 1170.0000 769.9932 215.5809 1192.3323 517.1703 4217.0000 984.2857 243.0998 243.1227 548.9098 1119.3216 1395.2830 588.0150 1270.8758 1863.2812 1650.1065 1912.7389 1113.6516 404.0404 352.2013 559.6234 1976.9181 681.7219 912.0805 279.0038 599.2462 464.8840 433.8953 490.4215 893.3416 637.7877 918.2195 469.5122 274.6338 751.0121 138.6256 840.0824 438.4615 724.6184 884.6154 1124.7750 647.5212 1110.5477 1433.7121 374.0209 601.4898 2122.8240 1121.7839 910.1351 1681.8493 2794.5591 849.3064 1241.7219 664.7727 2600.8869 574.5098 3113.8348 2837.6068 410.8485 870.8972 1025.1509 523.2108 4727.3963 1377.6923 785.0372 243.5185 482.2505 621.9739 714.2391 150.4823 1563.3947 1436.0000 1459.0000 1402.0000 1153.0000 1060.0000 2142.0000 threonine 1858.8679 567.0072 1639.4166 1654.8913 728.6257 1607.9404 4388.7417 6586.8321 1108.9212 1113.5734 1844.3299 2485.6571 4521.3869 3840.7049 2914.2012 1548.8776 1565.9548 2036.0972 1898.2797 1589.4737 1417.7694 655.4192 1235.7836 928.9491 2692.3890 7129.2373 2300.5801 2353.1941 4184.4083 1512.5874 4653.9256 4608.6519 2258.5470 3440.8322 5766.2207 2638.9286 1923.4450 1330.7589 4867.0927 2672.3901 9847.0000 6891.4286 1152.8662 1590.3346 4667.0595 2667.4743 4269.8113 1872.6592 1531.5682 6863.2812 3732.4344 3806.3694 3040.3497 1553.5354 2184.4864 3133.8912 4429.7789 6432.9570 3872.8188 3200.5044 2445.0377 4816.0438 3592.2804 1741.3793 8322.1332 4549.8721 4600.4141 4429.8780 2296.9374 6515.1822 862.5592 4822.2375 2180.2676 3576.3106 3900.5629 2499.7001 3337.3640 6225.1521 5753.7879 1454.9608 3154.5624 7009.6712 3609.7770 4947.9730 6493.1507 14997.1857 3812.4212 3990.3974 2599.4318 48179.6009 5309.8039 12117.8643 23149.5726 2958.1096 3194.7484 6452.7163 3820.1161 8733.8545 8503.8462 9519.9729 3770.3704 4636.6376 2791.4339 3070.5421 6480.3859 14651.3292 22621.0000 19225.0000 22159.0000 22293.0000 21883.0000 33757.0000 tocopherol alpha- 5136.2264 2062.5000 2015.9430 35593.4103 2233.3756 6313.5856 38782.4503 7707.0611 1090.2490 7809.5568 3248.4536 4491.9947 6729.0992 53329.3020 16632.1499 19196.9587 3751.8844 97877.4124 6876.2154 16890.5263 13206.9943 5943.7628 1295.0763 21240.9121 14593.0233 44152.5424 8672.5888 7882.3710 20457.1071 7344.7552 9075.4132 21518.1086 11816.2393 32387.5163 28243.1438 16285.7143 13503.0759 11955.6750 42577.9553 20438.5302 13162.0000 13468.5714 10780.2548 7728.6245 6933.4119 151077.5288 23060.3774 16450.3745 27633.4012 4720.7031 10807.6650 12792.9936 20893.0733 2749.4949 5683.4382 5061.7155 10528.2835 19455.5399 6722.8188 1567.1501 39107.4121 7719.3943 17225.3771 4895.5939 7815.3514 2885.8696 7281.5735 17222.5610 76804.5939 48176.1134 2783.1754 141613.5896 22211.0368 41764.1009 14357.4109 2526.6947 37799.2745 27917.3428 65532.1970 6651.1097 24714.1527 5890.7157 53585.7633 17670.6081 26524.3151 34604.1276 12520.1765 26092.0530 27190.9091 29833.7029 15631.3726 34898.9255 18113.9601 36552.6316 77678.3370 25631.7907 22237.9110 45265.1258 9057.6923 18048.7475 13792.5926 27700.2679 23274.6741 32640.4311 8780.0643 5575.6646 2078.0000 1584.0000 2562.0000 2113.0000 2780.0000 2349.0000 tocopherol beta NIST 242.2642 206.4303 233.0393 713.3152 153.8949 214.0199 1884.4371 304.3893 159.7510 331.3712 174.2268 278.1855 223.5904 497.5812 679.4872 416.0029 292.0854 716.2259 246.8212 504.2105 157.8450 445.8078 158.1137 171.5135 524.3129 1254.2373 380.7107 344.5946 881.0269 343.0070 396.6942 721.3280 373.9316 751.9506 1059.5318 634.2857 479.8360 431.1619 669.9681 795.3297 377.0000 582.8571 124.2038 284.3866 399.5286 1296.4870 667.9245 401.6854 745.4175 205.0781 259.7587 402.2293 467.0477 138.3838 142.5577 166.3180 203.8362 348.2710 413.7584 191.9924 757.5377 495.8119 690.7720 141.7625 305.1788 191.8159 406.8323 507.1138 700.0666 796.5587 219.1943 894.6465 1009.3645 982.4154 595.6848 169.1662 1146.3120 797.1602 1678.0303 302.5457 972.9981 370.4062 964.8370 665.8784 804.4521 1091.9325 661.0971 588.0795 818.1818 713.9690 692.1569 996.3062 512.8205 315.7895 508.7527 771.6298 502.9014 1070.7002 306.9231 654.0284 489.8148 654.0522 597.7654 1560.7446 298.0707 193.2515 129.0000 183.0000 138.0000 194.0000 242.0000 300.0000 tocopherol gamma- 946.4151 630.1082 763.2293 2654.5516 417.0361 1131.5136 6034.7682 1063.9313 207.4689 1318.2133 311.3402 1593.0620 1402.7868 1327.9198 1512.8205 2254.8878 491.8342 2146.5332 1109.5737 3530.5263 666.3516 717.7914 249.6533 1844.0185 2734.6723 6719.2797 1111.6751 956.3882 3951.4715 1443.3566 2292.3554 3546.2777 2760.6838 4277.6333 4441.8060 2050.7143 925.8373 2264.6071 1753.0351 2178.9148 2249.0000 2717.1429 449.0446 1257.9926 727.4602 3806.7838 2767.9245 3246.2547 4265.7841 607.4219 1394.6061 1929.9363 4468.7290 240.4040 1034.5912 690.3766 1288.3615 3582.2159 2465.4362 499.3695 3047.1106 1511.5979 2759.0949 1018.1992 1190.1973 273.3376 2621.1180 3203.2520 1764.6471 4950.4049 502.3697 2795.1270 3793.6455 7272.0637 1686.6792 644.2711 4324.0629 4712.9817 9255.6818 800.9138 4606.1453 1814.3133 4092.1955 5031.0811 3314.3836 5217.6360 2100.5675 2986.0927 4963.6364 1869.1796 1952.9412 6064.4728 2980.0570 1715.8969 2375.2735 3331.9920 4661.5087 5838.8851 1230.0000 2793.8389 2413.8889 6416.9457 2279.3296 3242.9784 1235.6913 814.9284 677.0000 386.0000 625.0000 452.0000 574.0000 649.0000 trans-4-hydroxyproline 463.0189 357.8726 425.3731 510.5299 457.8847 423.3871 319.8675 207.0611 301.8672 434.2105 380.4124 398.2655 473.4284 540.0829 460.5523 297.6104 350.5025 593.9957 428.5714 262.1053 354.4423 316.9734 342.2330 721.7449 396.4059 503.1780 217.5489 246.9287 201.0019 1010.1399 445.2479 519.1147 448.7179 331.5995 487.6254 349.2857 279.9043 455.3392 369.0096 592.3764 491.0000 197.1429 361.9958 842.0074 310.2534 636.8867 292.4528 307.1161 577.3931 492.1875 287.4379 474.8408 332.8850 382.8283 549.2662 560.6695 483.7451 776.9936 214.4295 391.5511 635.0503 519.0077 423.2476 373.5632 368.0641 726.9821 484.4720 411.5854 326.5646 412.9555 619.6682 360.3294 511.7057 291.6390 377.1107 374.3251 509.6735 415.3144 609.8485 477.8068 171.3222 412.9594 478.5592 302.0270 665.7534 595.2158 328.1841 354.6358 530.1136 997.7827 231.3725 369.7112 698.0057 444.6831 684.9015 483.9034 679.8839 288.5792 511.1538 344.2789 240.7407 358.6738 335.1955 736.7734 298.0707 470.3476 856.0000 738.0000 1091.0000 845.0000 1115.0000 2036.0000 tryptophan 1063.0189 246.0938 337.8562 1268.6821 336.2888 836.5385 4952.9801 4053.4351 337.1369 392.6593 1498.9691 1818.2121 2346.7272 3301.6586 1512.8205 685.3729 855.5276 1305.9328 981.6754 737.8947 660.6805 528.6299 683.4258 343.0271 1728.3298 4307.2034 1609.8622 989.5577 3481.8410 1044.7552 3019.6281 2318.9135 877.1368 1291.2874 3622.0736 2375.3571 1800.4101 1536.2659 2804.4728 2599.2445 5982.0000 4102.8571 638.0042 663.5688 2688.8627 2064.2035 2561.3208 1266.8539 961.3035 4250.0000 1715.0461 3033.4395 2429.0518 917.1717 1401.4675 1555.4393 2985.3706 4493.6486 989.5973 717.8436 939.3844 1794.7809 1711.6238 656.1303 5552.4044 1522.0588 2674.9482 1961.3821 1075.5659 2531.3765 136.2559 2330.8167 918.0602 972.4618 2394.9343 274.4451 1426.5417 3718.0527 3847.5379 859.6606 1702.9795 7081.2379 2100.7719 3782.4324 5562.3288 10613.9775 2322.8247 1414.5695 1182.9545 19371.3969 3483.3333 6540.9671 18927.3504 837.8088 1685.9956 4220.3219 1646.0348 4563.2223 5409.2308 3387.9485 2070.3704 1523.1078 969.2737 2693.3377 3697.4277 10447.8528 26566.0000 24859.0000 33002.0000 26815.0000 27825.0000 36894.0000 tyrosine 2796.2264 739.1827 1605.8345 1892.3234 1103.8632 1721.4640 7585.4305 7307.2519 1294.6058 1394.0443 3493.8144 4759.1728 4548.6066 5254.6648 2892.5049 1653.1499 1850.5025 4474.2673 1961.1070 1631.5789 1293.0057 932.5153 2080.4438 825.8427 4127.9070 9361.2288 3332.8499 2486.7936 7080.1503 2423.0769 4677.6860 5448.6922 2168.8034 4196.6840 10189.9666 3079.2857 2825.7006 1882.8073 4758.7859 4981.1126 15709.0000 9334.2857 1226.1146 1885.8736 5747.2009 4070.2604 5963.2075 3243.4457 2241.3442 10275.3906 4111.4265 5978.9809 4552.4546 2292.9293 3342.7673 3445.6067 6631.9896 11344.7424 5125.1678 3995.9016 2967.9648 5268.3634 3854.4809 2119.7318 13714.5499 6766.3043 8616.9772 5162.6016 2535.6192 6327.9352 637.4408 10246.7399 2914.7157 3119.4426 4672.6079 2829.0342 6132.4063 7817.9513 7571.0227 2008.1593 3527.0019 12651.8375 3580.1887 5794.2568 8185.2740 25777.2045 3390.6053 4265.5629 2427.2727 62662.9712 10180.3922 14141.7058 38811.9658 2674.5435 4855.5799 9365.1911 4250.4836 9571.0401 11308.8461 11295.1930 4820.3704 5965.8406 2789.5717 7022.8609 11201.2862 23057.2597 31760.0000 26667.0000 34441.0000 28531.0000 26654.0000 44377.0000 UDP-glucuronic acid 204.9057 112.6803 113.9756 203.8043 94.0469 197.2705 173.8411 391.2214 145.2282 88.2964 195.8763 293.1955 229.4232 297.5121 208.0868 153.1499 196.9221 277.6984 120.0449 137.8947 123.8185 156.4417 157.0735 157.6338 364.6934 713.9831 317.6215 200.8600 323.1058 238.1119 378.0992 362.1730 167.7350 387.1912 220.7358 268.9286 147.6418 128.9456 394.8882 252.4038 281.0000 358.5714 94.4798 231.9703 157.3365 590.5512 374.5283 130.1498 405.2953 445.3125 330.0213 275.1592 463.0128 90.9091 330.1887 172.5941 452.5358 191.6020 215.4362 160.7818 306.2186 208.7629 210.2928 140.8046 137.7928 133.3120 240.1656 165.6504 193.7417 128.5425 118.4834 237.8174 201.6722 176.1778 151.0319 215.0570 172.3096 395.5375 400.5682 130.2219 324.0223 199.2263 257.2899 221.9595 324.6575 209.6623 191.0467 331.7881 424.4318 485.5876 130.3922 308.2606 699.4302 277.1214 624.7265 442.6559 156.6731 618.9667 313.8462 211.2390 69.4444 197.9236 134.0782 565.3168 169.7749 319.0184 241.0000 292.0000 341.0000 315.0000 214.0000 384.0000 UDP-N-acetylglucosamine 106.4151 73.9183 108.8874 39.7418 146.2951 66.9975 53.6424 208.9695 117.2199 106.9945 53.6082 45.0300 136.0985 158.6040 60.1578 130.3403 54.6482 63.2595 108.8257 126.3158 90.7372 140.0818 124.8266 115.9947 34.8837 165.2542 132.7049 81.0811 60.1127 57.6923 87.8099 100.6036 144.2308 94.6034 132.4415 86.7857 52.2898 34.2512 59.4249 66.9643 144.0000 67.1429 95.5414 52.4164 67.1774 101.7565 169.8113 113.2959 47.8615 97.6562 70.2626 147.1338 235.0370 129.2929 75.4717 108.7866 224.3173 127.0289 48.3221 120.1135 33.9196 72.4871 146.4064 133.1418 112.8237 140.0256 64.1822 24.3902 41.9441 94.1296 88.8626 112.2169 116.3880 53.7492 113.5084 22.4955 78.8996 164.3002 101.3258 65.6005 129.4227 94.7776 212.2642 162.1622 105.8219 198.4053 40.6683 107.2848 131.2500 339.2461 78.4314 165.2116 115.3846 217.5081 184.9015 89.5372 88.0077 257.9878 78.4615 83.2769 85.1852 120.5626 152.7002 52.9066 72.3473 141.1043 72.0000 55.0000 74.0000 84.0000 44.0000 77.0000 uracil 267.1698 234.3750 291.0448 142.6630 308.7397 162.8412 256.2914 252.8626 310.1660 228.5319 296.9072 234.1561 295.5282 404.2847 786.9822 185.7350 353.3291 613.2952 151.4585 181.0526 42.5331 70.5521 261.0957 323.1989 226.2156 413.1356 251.2690 281.9410 245.1472 404.8951 148.7603 297.7867 188.0342 426.2029 674.2475 228.2143 363.9781 333.4453 903.8339 693.3379 617.0000 597.1429 147.5584 206.3197 409.2516 386.1296 242.4528 139.5131 209.7760 525.3906 273.5983 453.8217 251.1769 138.3838 276.7296 1099.3724 627.1131 483.7685 1184.8993 574.0858 166.7714 1398.5180 425.9095 275.8621 805.4871 685.7417 791.9255 741.8699 218.7084 584.0081 286.7299 770.0755 225.7525 574.3198 205.4409 372.5255 688.3313 2371.7039 644.8864 182.1149 243.0168 863.6364 530.0172 242.2297 425.3425 2389.3058 467.2131 284.1060 330.6818 8646.3415 683.3333 1159.5030 3223.6467 800.7519 1230.8534 633.8028 345.2611 1021.7539 957.6923 1314.1503 410.1852 1073.0074 268.1564 269.4317 359.8071 904.9080 176.0000 167.0000 153.0000 165.0000 175.0000 89.0000 urea 16445.6604 12351.5625 6842.6052 30333.2201 34768.8410 29187.6551 96631.7881 97121.1832 14552.9046 10525.9695 33810.3093 27042.0280 47362.2813 38024.5335 8888.5602 21632.1506 23898.2412 18814.8678 7819.7457 26273.6842 17647.4480 11208.5890 13877.6005 20288.1692 19895.3488 109301.9068 44458.3031 23406.6339 50895.7420 17366.4336 55524.7934 59580.4829 29928.4188 57503.2510 33493.6455 29631.4286 14323.3083 22952.3170 34824.9201 39406.9368 141491.0000 112527.1429 29516.9851 18624.5353 46161.4614 76615.3846 41566.0377 35506.5543 14412.4236 126947.2656 38820.0852 60333.4395 51444.8554 25149.4950 12031.4465 20720.7113 35275.3576 17286.5208 27477.1812 19588.9029 29377.1985 28155.9278 30881.1003 21702.1073 48266.3379 27282.9284 32504.1408 29515.2439 24790.9454 39392.7125 5468.0095 31082.0178 8482.2742 36273.7226 42010.3190 11361.1278 26339.7824 13643.0020 37841.8561 36359.3342 28184.3575 46386.8472 53153.5163 28095.6081 142497.9452 68217.6360 12516.3934 48922.8477 16002.2727 135556.5410 37052.9412 79651.1081 100068.3761 50378.0881 47586.4333 71903.4205 34918.7621 28218.5588 49318.8461 9069.0589 10006.4815 30364.7019 18404.0968 27681.9073 28088.1029 37017.3824 151399.0000 169475.0000 175912.0000 156996.0000 176552.0000 191258.0000 uric acid 606.7925 218.1490 800.8820 1220.7880 873.0209 1527.9156 11924.5033 5408.3969 501.0373 392.6593 1824.7423 1464.9767 2799.7408 2960.6082 594.6746 828.7473 1680.9045 1296.2831 722.5131 502.1053 533.0813 164.6217 644.9376 447.1249 2205.0740 3895.1271 1738.2161 1249.3857 1528.1778 1017.4825 2872.9339 1305.8350 973.2906 1745.7737 1624.4147 2046.4286 981.2030 737.4077 2573.4824 3783.9973 4901.0000 4821.4286 331.2102 618.9591 2656.1579 2469.4125 1270.7547 2180.7116 900.2037 9597.6562 1677.7857 3336.3057 4048.0834 772.7273 464.3606 922.5941 2826.3979 2319.3366 1462.7517 859.7100 1441.5829 1166.5593 736.0248 1070.8812 2898.2737 997.4425 2055.9006 1685.9756 1165.4461 1530.3644 125.5924 2212.4228 1503.0100 860.9821 1834.8968 756.7487 1550.7860 2758.1136 1831.4394 1527.4151 835.1955 5247.5822 1314.7513 2490.2027 6825.0000 3163.2270 1661.7276 1615.2318 383.5227 12445.6763 3161.7647 3733.3781 7488.6040 915.1450 2152.0788 1777.6660 1285.2998 4683.5486 2775.0000 544.3466 482.4074 1128.2652 852.8864 1739.0594 914.4695 5177.9141 17220.0000 9833.0000 17238.0000 15413.0000 14224.0000 14560.0000 uridine 430.1887 328.1250 540.3664 381.1141 518.6827 348.9454 400.3311 711.8321 613.0705 276.3158 967.0103 646.4310 686.3253 442.6399 790.9270 577.8421 850.8166 374.1959 378.0853 343.1579 347.8261 529.6524 355.7559 301.3880 445.0317 2629.2373 1087.7447 416.4619 794.6149 615.7343 441.1157 510.0604 512.8205 744.1482 1683.6120 1231.0714 596.7191 718.2673 905.7508 936.4698 3296.0000 1400.0000 393.8429 443.8662 606.3642 251.6657 616.9811 376.4045 498.9817 1028.3203 1435.0603 1233.4395 852.3874 261.6162 247.3795 816.9456 975.2926 437.1912 1348.9933 806.7465 191.2688 880.4768 742.6797 646.5517 1131.0111 354.8593 1226.7081 516.2602 362.5166 933.1984 356.6351 788.6067 263.8796 411.0816 439.9625 1068.0864 1301.3906 666.3286 592.8030 376.9582 230.9125 631.5280 544.1681 436.8243 944.1781 2850.8443 438.8398 452.9801 639.2045 11115.2993 872.5490 2357.2868 1707.9772 594.5220 610.5033 887.3239 293.0368 2989.8029 711.9231 1411.6452 326.8519 1088.0777 527.9330 378.1842 568.1672 667.6892 245.0000 414.0000 354.0000 288.0000 391.0000 466.0000 valine 8233.5849 2339.2428 5026.1194 4650.8152 4989.2337 8034.1191 28344.0397 37476.1450 3558.0913 4313.0194 5974.2268 7216.8112 14566.4290 18895.6462 7182.4458 6775.5250 8172.7387 6147.9628 4922.9619 4680.0000 3421.5501 4027.6074 4697.6422 1825.1818 11334.0380 32158.8983 11607.3242 9609.9509 17652.4734 5516.4336 26841.9421 32220.3219 7862.1795 11050.0650 17095.9866 11217.8571 6955.5707 7822.3640 13941.8530 15523.3517 32657.0000 33952.8571 3952.2293 6840.8922 13722.7460 13825.2574 15542.4528 11731.2734 7717.9226 41124.0234 13959.9006 19599.3631 19346.6711 6476.7677 8836.4780 11539.7489 20317.2952 19957.3042 12640.2685 12306.4313 6856.4698 15669.7809 9846.4951 6598.6590 34044.0814 22289.0026 13523.8095 16589.4309 6988.6818 20127.5304 2336.4929 15763.8984 7100.6689 8462.5083 17196.0600 5942.4115 11201.0278 20341.2779 18047.3485 7078.9817 11290.5028 28173.1141 11945.9691 17183.1081 27247.6027 49590.0563 10325.0315 17442.7152 8938.6364 150279.3792 24926.4706 33562.1222 149856.1254 8589.1514 12393.8731 25475.8551 16700.1934 23049.6261 38310.0000 23442.4509 13511.1111 18757.5352 7479.5158 19433.3769 29956.5916 56934.5603 126774.0000 108742.0000 112634.0000 118605.0000 110932.0000 153819.0000 xanthine 136.9811 107.2716 87.5170 79.4837 102.5966 81.8859 91.3907 184.1603 129.6680 138.1579 259.7938 104.0694 246.9216 170.0069 309.6647 162.9254 153.5804 332.3803 120.0449 169.4737 74.6692 84.8671 141.4702 112.0291 90.9091 118.6441 131.6171 180.5897 161.5529 255.9441 97.1074 163.9839 158.1197 175.5527 275.9197 174.6429 262.4744 194.4258 309.5847 158.6538 555.0000 285.7143 150.7431 155.0186 249.2634 130.8298 222.6415 255.6180 131.3646 189.4531 198.0128 158.5987 229.9933 184.8485 129.9790 207.1130 143.3680 208.5392 234.5638 199.5586 120.6030 278.3505 162.3780 218.3908 435.5734 182.2251 362.3188 286.5854 108.8549 302.6316 116.1137 407.6870 174.5819 216.9874 204.5028 95.3809 182.2854 410.7505 329.5455 141.9713 161.0801 456.4797 225.1286 307.0946 133.5616 946.9981 263.8714 197.6821 255.6818 3140.7982 212.7451 380.7925 1141.0256 285.1772 567.8337 292.7565 196.3250 731.1353 393.4615 687.5423 212.9630 300.4019 132.2160 112.6715 235.3698 419.2229 148.0000 88.0000 103.0000 107.0000 95.0000 114.0000 xylitol 272.8302 128.9062 48.8467 156.9293 178.5940 215.8809 374.5033 208.0153 100.6224 109.0720 190.7216 176.1174 170.1231 184.5197 117.3570 127.0818 153.5804 183.3452 141.3613 191.5789 157.8450 141.1043 205.9639 174.4878 329.8097 316.7373 177.3024 206.3882 213.2123 156.2937 274.7934 226.3581 184.8291 133.6151 154.5151 158.5714 149.6924 144.0564 244.4089 259.6154 296.0000 210.0000 130.5732 234.2007 282.8521 213.5070 227.3585 144.1948 350.3055 367.1875 249.1128 408.9172 188.6348 146.4646 69.1824 150.6276 215.5397 63.5145 101.6779 159.8361 172.4246 119.8454 208.9618 137.9310 139.6424 208.1202 172.8778 185.9756 139.8136 163.9676 146.9194 157.5154 177.5920 230.9224 216.6979 169.1662 153.2648 295.1318 370.2652 138.0548 252.3277 230.1741 280.4460 214.8649 287.6712 724.6717 205.2333 284.1060 253.9773 1422.3947 144.1176 313.2975 386.0399 225.5639 191.4661 254.5272 102.5145 387.4915 270.0000 241.7062 150.9259 281.3128 131.2849 243.9582 123.4727 296.5235 308.0000 509.0000 358.0000 254.0000 495.0000 553.0000 trans-4-hydroxyproline 637 317 540 197 530 484 310 383 374 370 475 685 1010 368 374 594 412 344 423 171 218 727 1056 722 377 845 449 415 201 511 231 484 2036 262 577 362 349 214 470 738 503 398 473 737 998 496 620 247 359 413 511 549 287 610 519 396 492 519 488 591 458 307 292 1176 491 298 298 342 595 413 355 292 289 1091 653 666 434 302 425 461 671 856 512 842 358 328 777 332 423 320 478 635 354 327 445 698 455 510 429 241 1006 369 207 280 592 445 threonic acid 1119 233 1528 984 665 1025 549 404 490 3114 1913 871 819 893 1125 659 470 785 434 601 548 638 452 374 885 1153 494 1111 1106 1378 575 1977 2142 446 1271 243 1170 912 1563 1459 2467 421 745 714 2601 536 139 604 482 2123 553 352 1650 1434 465 760 1863 224 1659 801 542 588 725 882 4217 734 150 519 2795 751 1242 1395 4727 1402 1017 1682 343 910 262 612 1010 1436 438 243 237 849 682 597 292 1417 374 599 356 275 1883 2838 216 648 403 244 1982 1192 829 770 517 411 salicylaldehyde 443 245 615 863 948 759 601 391 528 1188 784 570 526 849 310 285 604 974 692 528 450 890 734 228 441 2253 614 739 607 338 352 562 2936 354 645 401 619 724 1371 2260 528 226 551 377 4428 792 404 694 627 498 482 302 514 379 417 839 509 759 720 882 361 455 403 1770 1009 382 587 302 1424 395 769 602 748 2240 1084 509 348 596 671 518 644 2513 390 322 364 527 375 423 352 648 519 406 270 243 927 1225 335 330 562 734 2289 768 857 392 507 578 propane-1,3-diol NIST 940 838 738 1091 1238 866 698 561 697 754 505 61 937 960 696 659 665 755 1408 770 546 571 1383 955 1024 1205 959 1330 974 803 780 321 1005 925 561 927 944 1023 1005 1088 935 845 716 847 2657 2206 492 797 903 1015 560 1009 897 91 996 500 730 989 809 1734 925 485 904 2249 747 897 887 814 1245 910 929 682 793 1122 2091 853 1042 823 563 787 1541 1044 674 933 503 736 739 891 694 768 726 567 974 807 850 1332 706 248 678 144 1967 744 923 683 673 1284 ornithine 4630 1150 2791 2684 2023 7051 2503 2549 980 6247 2138 4461 2186 8839 1221 1825 2381 5274 2360 1865 1328 1773 5158 820 3002 22486 2545 5121 2456 5362 4337 2815 34052 1527 1479 1378 1442 1532 18080 21914 4202 2488 2110 5431 17520 5268 893 1354 3591 9315 1480 2666 2927 4955 2174 2801 2808 3043 4123 4466 815 1295 2474 9122 5986 1446 4248 1295 7636 2341 2589 3433 4100 29560 4453 2956 1417 2478 761 1435 2103 27607 2154 1264 528 1813 7995 2320 1033 3964 748 1834 1144 1565 2824 11526 1374 1858 1994 3956 13145 2839 3044 1497 1907 2238 maltotriose 192 105 139 651 174 443 137 34 214 1223 122 109 131 502 190 183 314 229 138 558 145 223 518 138 397 85 139 300 188 45 102 144 109 137 31 80 63 902 709 85 504 54 139 345 677 192 98 136 124 528 117 137 101 353 158 87 418 368 85 504 101 114 54 729 786 161 106 212 395 596 487 275 433 112 920 302 122 147 52 119 252 122 63 154 107 437 178 219 72 304 148 171 130 161 175 634 132 369 108 74 1549 91 236 86 92 124 maltose 417 309 505 4056 523 2910 977 322 595 11232 726 1025 370 7238 689 247 4979 1558 783 5535 550 3110 3362 315 3113 286 448 6482 2239 2656 6813 1143 395 459 465 339 343 12633 10026 380 3597 787 511 4870 17258 3263 345 609 623 5485 468 1331 606 2567 995 507 2561 2403 1246 6054 293 766 892 7768 4250 543 2139 436 7461 4933 4309 4819 5891 387 11880 3059 450 1737 623 392 410 242 2378 307 352 5124 4252 1004 652 1211 643 1852 644 521 540 47826 430 5904 499 941 16225 873 1645 918 771 677 linoleic acid 1315 511 809 1387 745 787 1617 379 252 884 1719 319 2248 1137 119 1381 1525 1194 1201 1743 1346 499 1116 224 383 1271 621 2770 5939 2412 942 1529 3071 1037 1258 146 2891 523 1621 2066 860 549 1185 508 1649 4434 140 1931 1445 5586 1131 196 970 892 921 1523 1101 1307 740 703 496 964 1363 3897 498 1271 2009 436 836 811 704 607 1286 1749 368 1946 609 1694 192 1317 2397 1353 889 933 231 2299 1370 1152 415 1183 3563 385 124 892 1779 7959 2565 833 479 540 1221 1193 640 1326 2184 759 isothreonic acid 184 91 199 436 193 173 128 100 134 207 212 71 88 122 99 127 172 180 158 110 148 118 255 136 139 624 129 225 85 241 139 232 1774 107 134 92 209 139 201 1282 137 80 151 97 452 162 111 137 106 213 86 162 104 192 19 222 301 148 201 221 156 58 91 333 213 139 122 101 205 176 148 149 138 694 457 196 112 151 39 107 303 697 57 123 74 200 179 156 62 200 117 67 132 116 220 457 140 191 74 63 361 82 307 127 113 176 glucose 17222 1072 17814 33396 997 5814 3986 5328 3238 24183 23875 3132 5909 16114 1522 1337 5277 803 1111 7547 3894 6449 4644 2941 2809 175317 5022 8519 39157 6555 8097 22021 253599 4108 4617 963 14168 3450 42775 128335 34622 13250 2932 21203 34155 1361 520 7468 1537 17985 4316 3697 8360 3298 1532 16441 56754 19155 8304 3565 2974 5717 3544 16178 34261 4849 2199 3391 15984 5028 2983 14614 4328 194154 8169 45137 2724 5989 2524 787 8286 183361 3644 5470 2343 1184 9516 6987 7830 47997 9248 3624 1379 3070 44769 80799 3447 1167 2027 1864 22855 2798 22636 2232 14106 1020 fucose 139 129 152 237 172 109 81 109 95 166 134 60 112 137 104 98 158 196 209 40 166 153 214 154 102 78 97 70 134 240 50 146 60 131 224 118 109 151 107 90 129 226 125 167 290 290 171 103 137 159 96 109 137 136 153 159 162 152 190 194 169 96 32 248 132 215 148 127 182 72 171 109 190 114 240 128 118 111 97 130 211 104 66 100 108 176 127 141 132 152 129 118 131 120 128 805 109 130 110 95 238 84 125 135 129 145 elaidic acid 13176 3950 6634 8536 3893 3338 22579 526 1099 3109 12532 1446 22257 7563 753 12201 4347 5799 8280 15765 5993 2368 4574 996 1505 1748 4340 28800 54141 12699 4095 14853 3115 9206 9938 970 21822 1883 11021 2063 4123 3254 9702 1756 10073 35982 669 13621 10658 47019 9883 1279 9530 2762 3796 18782 5021 12361 5761 3123 3862 6695 15129 9023 2485 8507 9346 4027 3407 2738 4472 2290 5449 2170 3572 27216 4565 13426 735 6521 21521 1725 5601 5650 1004 3539 5545 12799 3087 6454 19135 1860 1351 5995 16660 45281 27002 3695 2934 2315 5670 14655 3824 17339 34732 4872 conduritol-beta-epoxide 149 78 103 143 133 141 80 135 158 313 146 159 89 384 122 74 179 124 125 85 123 90 208 74 99 306 142 149 111 66 169 86 382 143 66 121 116 161 265 145 198 99 128 103 480 159 83 136 64 47 106 85 137 110 90 107 128 88 120 270 88 87 76 424 241 121 95 140 121 134 104 147 89 210 131 121 103 130 65 85 156 323 201 132 78 71 331 117 84 109 93 49 59 111 103 198 90 83 139 94 162 77 68 86 155 147 2,3-dihydroxypyridine 71 169 105 40 177 102 82 156 67 100 14 124 59 86 139 145 105 118 162 96 84 94 265 85 82 38 95 141 74 194 100 81 102 134 116 108 113 107 130 114 140 53 24 30 178 151 123 111 124 107 120 66 99 35 144 112 100 78 110 29 123 91 72 327 49 35 112 180 125 102 152 78 112 115 256 121 96 101 103 106 147 25 85 124 81 130 105 22 95 24 69 108 76 109 106 68 133 129 156 69 232 32 106 108 93 227 1,5-anhydroglucitol 999 195 2607 2740 513 2064 817 600 750 4405 2447 523 619 2625 1172 1011 571 473 443 642 930 545 941 597 513 22350 406 1028 1446 1658 915 2177 37748 255 719 345 1677 775 4132 26032 6043 1158 1139 2479 7906 730 178 709 947 2150 848 653 1453 2522 704 1068 5133 2942 2080 368 606 1080 403 601 5550 581 982 804 4410 932 1069 1508 1351 25815 1014 2934 582 781 361 437 1464 25025 720 1077 276 951 1513 1248 143 2516 691 911 477 861 1118 5144 701 916 716 438 5535 1455 2482 442 1032 611 2,5-dihydroxypyrazine NIST 941 171 1103 686 416 616 616 119 729 3804 1136 532 337 2099 309 625 545 1321 450 1121 919 518 670 106 461 155 729 969 1057 669 1021 1304 145 234 1680 166 605 1019 2474 126 1204 886 1093 565 3654 622 110 409 204 1526 308 179 1859 409 1009 1406 643 189 1216 1109 427 460 658 640 1155 274 86 405 1880 264 919 1701 6315 114 504 1735 126 865 282 883 533 107 397 443 134 1000 993 783 429 1965 590 1135 313 561 725 1623 496 1329 232 259 953 2472 624 712 1827 467 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1,5-anhydroglucitol 217 633969 Fiehn 64960 MPCAJMNYNOGXPB-SLPGGIOYSA-N C07326 17 BinBase 1-monoolein 129 952623 Fiehn 5283468 0 7508 BinBase 1-monopalmitin 129 901749 Fiehn 14900 QHZLMUACJMDIAE-UHFFFAOYSA-N C01885 2070 BinBase 1-monostearin 129 959214 Fiehn 24699 VBICKXHEKHSIBG-UHFFFAOYSA-N D01947 648 BinBase 2,3-dihydroxypyridine 240 373895 Fiehn 28115 0 18043 BinBase 2,5-dihydroxypyrazine NIST 241 397526 Fiehn 23368901 USHRADXTTYICIJ-UHFFFAOYSA-N 2254 BinBase 2-deoxytetronic acid NIST 117 390517 Fiehn 192742 UFYGCFHQAXXBCF-UHFFFAOYSA-N 4544 BinBase 2-hydroxybutanoic acid 131 259536 Fiehn 11266 C05984 49389 BinBase 2-hydroxyglutaric acid 247 506306 Fiehn 43 HWXBTNAVRSUOJR-UHFFFAOYSA-N C02630 2000 BinBase 2-ketoisocaproic acid 89 310761 Fiehn 70 C00233 208 BinBase 3-hydroxybutyric acid 191 278829 Fiehn 441 WHBMMWSBFZVSSR-GSVOUGTGSA-N C01089 46 BinBase 3-phosphoglycerate 227 610734 Fiehn 724 OSJPPGNTCRNQQC-UHFFFAOYSA-N C00597 1667 BinBase 5-aminovaleric acid 174 536657 Fiehn 138 C00431 1698 BinBase acetophenone NIST 105 238615 Fiehn 7410 C07113 3524 BinBase adenosine 236 918039 Fiehn 60961 OIRDTQYFTABQOQ-KQYNXXCUSA-N C00212 290 BinBase adenosine-5-monophosphate 169 1038688 Fiehn 6083 UDMBCSSLTHHNCD-KQYNXXCUSA-N C00020 1726 BinBase adipic acid 111 474435 Fiehn 196 WNLRTRBMVRJNCN-UHFFFAOYSA-N C06104 125 BinBase alanine 116 243971 Fiehn 5950 QNAYBMKLOCPYGJ-REOHCLBHSA-N C00041 34178 BinBase alpha-ketoglutarate 198 507392 Fiehn 51 KPGXRSRHYNQIFN-UHFFFAOYSA-N C00026 294 BinBase aminomalonate 218 455754 Fiehn 100714 JINBYESILADKFW-UHFFFAOYSA-N C00872 413 BinBase arachidic acid 117 856421 Fiehn 10467 VKOBVWXKNCXXDE-UHFFFAOYSA-N C06425 291 BinBase arachidonic acid 91 834339 Fiehn 444899 YZXBAPSDXZZRGB-DOFZRALJSA-N C00219 6529 BinBase asparagine 188 553078 Fiehn 6267 DCXYFEDJOCDNAF-REOHCLBHSA-N C00152 146 BinBase aspartic acid 232 480387 Fiehn 5960 CKLJMWTZIZZHCS-REOHCLBHSA-N C00049 79 BinBase azelaic acid 317 610651 Fiehn 2266 BDJRBEYXGGNYIS-UHFFFAOYSA-N C08261 16968 BinBase behenic acid 117 920648 Fiehn 8215 UKMSUNONTOPOIO-UHFFFAOYSA-N C08281 46315 BinBase benzoic acid 179 339214 Fiehn 243 C00180 34148 BinBase beta-alanine 248 435564 Fiehn 239 UCMIRNVEIXFBKS-UHFFFAOYSA-N C00099 148 BinBase capric acid 229 451790 Fiehn 2969 GHVNFZFCNZKVNT-UHFFFAOYSA-N C01571 726 BinBase caprylic acid 201 343457 Fiehn 379 WWZKQHOCKIZLMA-UHFFFAOYSA-N C06423 6866 BinBase cholesterol 329 1078536 Fiehn 5997 C00187 19 BinBase cis-gondoic acid 367 847372 Fiehn 5282768 C16526 87783 BinBase citric acid 273 617342 Fiehn 311 KRKNYBCHXYNGOX-UHFFFAOYSA-N C00158 288 BinBase citrulline 157 621404 Fiehn 9750 C00327 1712 BinBase conduritol-beta-epoxide 318 675635 Fiehn 9989541 0 2670 BinBase creatinine 115 502599 Fiehn 588 C00791 31 BinBase cysteine 220 500158 Fiehn 5862 XUJNEKJLAYXESH-REOHCLBHSA-N C00097 65 BinBase cystine 218 804619 Fiehn 595 LEVWYRKDKASIDU-UHFFFAOYSA-N C01420 94 BinBase cytidine-5-monophosphate NIST 169 974825 Fiehn 6131 C00055 84922 BinBase dehydroabietic acid 239 850374 Fiehn 15618 C12078 8917 BinBase dodecanol 243 507619 Fiehn 8193 LQZZUXJYWNFBMV-UHFFFAOYSA-N C02277 12092 BinBase epsilon-caprolactam 170 353069 Fiehn 7768 C06593 3101 BinBase erythritol 217 471922 Fiehn 222285 UNXHWFMMPAWVPI-ZXZARUISSA-N C00503 92 BinBase ethanolamine 174 344719 Fiehn 700 HZAXFHJVJLSVMW-UHFFFAOYSA-N C00189 3212 BinBase fructose 307 641863 Fiehn 439709 C02336 50366 BinBase fucose 1 160 578299 Fiehn 439650 SHZGCJCMOBCMKK-FPRJBGLDSA-N C02095 3009 BinBase fumaric acid 245 390016 Fiehn 444972 VZCYOOQTPOCHFL-OWOJBTEDSA-N C00122 14755 BinBase gluconic acid 333 693148 Fiehn 6857417 RGHNJXZEOKUKBD-QTBDOELSSA-N C00800 7501 BinBase glucose 319 659798 Fiehn 64689 C00221 22 BinBase glucose-6-phosphate 387 810287 Fiehn 439427 C01172 296 BinBase glutamic acid 246 529100 Fiehn 33032 C00025 28 BinBase glutamine 156 600315 Fiehn 5961 ZDXPYRJPNDTMRX-VKHMYHEASA-N C00064 18 BinBase glutaric acid 261 421260 Fiehn 743 JFCQEDHGNNZCLN-UHFFFAOYSA-N C00489 1727 BinBase glyceric acid 189 377495 Fiehn 439194 C00258 48 BinBase glycerol 205 344466 Fiehn 753 C00116 30 BinBase glycerol-alpha-phosphate 357 590747 Fiehn 754 C03189 1687 BinBase glycine 248 368707 Fiehn 750 DHMQDGOQFOQNFH-UHFFFAOYSA-N C00037 6 BinBase glycolic acid 177 227636 Fiehn 757 AEMRFAOFKBGASW-UHFFFAOYSA-N C00160 1971 BinBase guanine 352 744307 Fiehn 764 C00242 2519 BinBase guanosine 324 954962 Fiehn 6802 C00387 1966 BinBase heptadecanoic acid 117 751309 Fiehn 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N 727 BinBase hexitol 217 704741 Fiehn 6251 C00392 255 BinBase hexuronic acid 160 667373 Fiehn 152867 IAJILQKETJEXLJ-UHFFFAOYSA-N 4554 BinBase histidine 154 663790 Fiehn 6274 C00135 150 BinBase hydroxycarbamate NIST 278 325948 Fiehn 16639161 DRAJWRKLRBNJRQ-UHFFFAOYSA-M 7010 BinBase hydroxylamine 146 253158 Fiehn 787 AVXURJPOCDRRFD-UHFFFAOYSA-N C00192 4211 BinBase hypoxanthine 265 619128 Fiehn 790 C00262 1663 BinBase inosine 230 897184 Fiehn 6021 C00294 1728 BinBase isoheptadecanoic acid NIST 117 737927 Fiehn 164860 IIUXHTGBZYEGHI-UHFFFAOYSA-N 46259 BinBase isoleucine 158 359251 Fiehn 6306 AGPKZVBTJJNPAG-WHFBIAKZSA-N C00407 15 BinBase isothreonic acid 1 292 489385 Fiehn 5280363 PXGPLTODNUVGFL-YNNPMVKQSA-N C00639 1679 BinBase lactamide 232 265698 Fiehn 94220 SXQFCVDSOLSHOQ-UHFFFAOYSA-N 415 BinBase lauric acid 117 547906 Fiehn 3893 POULHZVOKOAJMA-UHFFFAOYSA-N C02679 49 BinBase leucine 158 346101 Fiehn 6106 C00123 9 BinBase linoleic acid 150 777414 Fiehn 5280450 OYHQOLUKZRVURQ-HZJYTTRNSA-N C01595 165 BinBase lysine 156 663483 Fiehn 5962 KDXKERNSBIXSRK-YFKPBYRVSA-N C00047 12 BinBase lyxitol 217 573587 Fiehn 439255 HEBKCHPVOIAQTA-IMJSIDKUSA-N C00532 233 BinBase malic acid 233 463180 Fiehn 525 BJEPYKJPYRNKOW-UHFFFAOYSA-N C00711 1391 BinBase maltose 1 204 946601 Fiehn 439186 GUBGYTABKSRVRQ-PICCSMPSSA-N C00208 1979 BinBase maltotriose 361 1176044 Fiehn 439586 C01835 84521 BinBase mannose 205 645856 Fiehn 18950 C00159 70 BinBase methionine 176 483560 Fiehn 6137 FFEARJCKVFRZRR-BYPYZUCNSA-N C00073 45 BinBase myo-inositol 305 730022 Fiehn 892 CDAISMWEOUEBRE-UHFFFAOYSA-N C00137 1741 BinBase myristic acid 117 634414 Fiehn 11005 TUNFSRHWOTWDNC-UHFFFAOYSA-N C06424 127 BinBase nicotinamide 179 471602 Fiehn 936 C00153 84542 BinBase N-methylalanine 130 286855 Fiehn 5288725 C02721 35 BinBase nonadecanoic acid 117 822782 Fiehn 12591 C16535 46258 BinBase octadecanol 327 755409 Fiehn 8221 GLDOVTGHNKAZLK-UHFFFAOYSA-N 997 BinBase oleic acid 339 779120 Fiehn 445639 C00712 43 BinBase ornithine 142 527113 Fiehn 6262 C00077 1821 BinBase oxalic acid 190 260513 Fiehn 971 MUBZPKHOEPUJKR-UHFFFAOYSA-N C00209 4923 BinBase oxoproline 156 485935 Fiehn 7405 C01879 10 BinBase palmitic acid 313 713809 Fiehn 985 IPCSVZSSVZVIGE-UHFFFAOYSA-N C00249 11 BinBase palmitoleic acid 117 706508 Fiehn 445638 SECPZKHBENQXJG-FPLPWBNLSA-N C08362 96 BinBase p-cresol 165 280360 Fiehn 2879 C01468 16321 BinBase pelargonic acid 117 399229 Fiehn 8158 FBUKVWPVBMHYJY-UHFFFAOYSA-N C01601 50 BinBase pentadecanoic acid 117 674647 Fiehn 13849 C16537 1680 BinBase phenylalanine 218 537804 Fiehn 6140 COLNVLDHVKWLRT-QMMMGPOBSA-N C00079 33 BinBase phosphoethanolamine 299 604335 Fiehn 1015 C00346 41988 BinBase proline 142 364716 Fiehn 145742 ONIBWKKTOPOVIA-BYPYZUCNSA-N C00148 8 BinBase propane-1,3-diol NIST 177 214380 Fiehn 10442 YPFDHNVEDLHUCE-UHFFFAOYSA-N C02457 282 BinBase pseudo uridine 217 813899 Fiehn 15047 C02067 1688 BinBase putrescine 174 588119 Fiehn 1049 C00138 21703 BinBase pyrophosphate 110 326948 Fiehn 1023 C00013 1682 BinBase pyruvic acid 174 211668 Fiehn 1060 LCTONWCANYUPML-UHFFFAOYSA-N C00022 583 BinBase ribose 217 553135 Fiehn 5779 HMFHBZSHGGEWLO-SOOFDHNKSA-N C00121 1662 BinBase salicylaldehyde 119 406586 Fiehn 6998 C06202 31381 BinBase serine 218 395020 Fiehn 5951 MTCFGRXMJLQNBG-REOHCLBHSA-N C00065 25 BinBase sorbitol 217 667922 Fiehn 5780 FBPFZTCFMRRESA-JGWLITMVSA-N C00794 162 BinBase spermidine 144 792924 Fiehn 1102 C00315 1714 BinBase squalene 95 976237 Fiehn 5280370 C00751 23042 BinBase stearic acid 117 787622 Fiehn 5281 C01530 13 BinBase succinic acid 247 370608 Fiehn 1110 KDYFGRWQOYBRFD-UHFFFAOYSA-N C00042 161 BinBase sucrose 271 915139 Fiehn 5988 CZMRCDWAGMRECN-UGDNZRGBSA-N C00089 173 BinBase sulfuric acid 227 282411 Fiehn 5152822 C00059 12266 BinBase taurine 326 556690 Fiehn 1123 XOAAWQZATWQOTB-UHFFFAOYSA-N C00245 411 BinBase threonic acid 292 497572 Fiehn 151152 JPIJQSOTBSSVTP-STHAYSLISA-N C01620 172 BinBase threonine 218 409568 Fiehn 6288 AYFVYJQAPQTCCC-GBXIJSLDSA-N C00188 26 BinBase tocopherol alpha- 237 1067809 Fiehn 638015 NCYCYZXNIZJOKI-OVSJKPMPSA-N C00376 100 BinBase tocopherol beta NIST 223 1022815 Fiehn 8989 C14152 42194 BinBase tocopherol gamma- 223 1026121 Fiehn 92729 C02483 4545 BinBase trans-4-hydroxyproline 158 460061 Fiehn 5810 C01157 598 BinBase tryptophan 202 780482 Fiehn 6305 QIVBCDIJIAJPQS-VIFPVBQESA-N C00078 14 BinBase tyrosine 218 671252 Fiehn 6057 OUYCCCASQSFEME-QMMMGPOBSA-N C00082 16 BinBase UDP-glucuronic acid 217 587601 Fiehn 17473 C00167 7831 BinBase UDP-N-acetylglucosamine 226 623789 Fiehn 445675 C00043 2546 BinBase uracil 241 385735 Fiehn 1174 C00106 1664 BinBase urea 189 328888 Fiehn 1176 C00086 441 BinBase uric acid 441 730691 Fiehn 1175 LEHOTFFKMJEONL-UHFFFAOYSA-N C00366 23 BinBase uridine 217 861508 Fiehn 6029 DRTQHJPVMGBUCF-XVFCMESISA-N C00299 14815 BinBase valine 144 313502 Fiehn 6287 C00183 3 BinBase xanthine 353 701688 Fiehn 1188 LRFVTYWOQMYALW-UHFFFAOYSA-N C00385 1669 BinBase xylitol 217 567437 Fiehn 6912 HEBKCHPVOIAQTA-NGQZWQHPSA-N C00379 5857 BinBase trans-4-hydroxyproline 158 460061 5810 C01157 threonic acid 292 497572 5460407 C01620 salicylaldehyde 119 406586 6998 C06202 ornithine 142 527113 6262 C00077 maltotriose 361 1176044 439586 C01835 maltose 204 946601 439186 C00208 linoleic acid 150 777414 5280450 C01595 isothreonic acid 292 489385 5280363 C00639 glucose 319 659798 64689 C00221 fucose 160 578299 439650 C02095 elaidic acid 339 779120 445639 C00712 conduritol-beta-epoxide 318 675635 9989541 0 METABOLITES_END #END