#METABOLOMICS WORKBENCH clfrankenfeld_20210823_073621 DATATRACK_ID:2810 STUDY_ID:ST001929 ANALYSIS_ID:AN003137 PROJECT_ID:000000 VERSION 1 CREATED_ON October 19, 2021, 11:10 am #PROJECT PR:PROJECT_TITLE Metabolomics profiles of premenopausal women are different based on PR:PROJECT_TITLE O-desmethylangolensin metabotype PR:PROJECT_SUMMARY Urinary O-desmethylangolensin (ODMA) concentrations provide a functional gut PR:PROJECT_SUMMARY microbiome marker of dietary isoflavone daidzein metabolism to ODMA. Individuals PR:PROJECT_SUMMARY who do not have gut microbial environments that produce ODMA have less favorable PR:PROJECT_SUMMARY cardiometabolic and cancer risk profiles. Urinary metabolomics profiles were PR:PROJECT_SUMMARY evaluated in relation to ODMA metabotypes within and between individuals over PR:PROJECT_SUMMARY time. Secondary analysis was conducted of data from the BEAN2 trial, which was a PR:PROJECT_SUMMARY cross-over study of premenopausal women consuming six months on a high- and a PR:PROJECT_SUMMARY low-soy diet, each separated by a 1-month washout period. In all of the 672 PR:PROJECT_SUMMARY samples in the study, 66 of the 84 women had the same ODMA metabotype at seven PR:PROJECT_SUMMARY or all eight time points. Two or four urine samples per woman were selected PR:PROJECT_SUMMARY based on temporal metabotypes in order to compare within and across individuals. PR:PROJECT_SUMMARY Metabolomics assays for primary metabolism and biogenic amines were conducted in PR:PROJECT_SUMMARY 60 urine samples from 20 women. PR:INSTITUTE George Mason University PR:LAST_NAME Frankenfeld PR:FIRST_NAME Cara PR:ADDRESS 4400 University Drive, Fairfax, VA 22030 PR:EMAIL prof.frankenfeld@gmail.com PR:PHONE 2062652563 PR:FUNDING_SOURCE Soy Health Research Program #STUDY ST:STUDY_TITLE Metabolomics profiles of premenopausal women are different based on ST:STUDY_TITLE O-desmethylangolensin metabotype (Part 2) ST:STUDY_SUMMARY Urinary O-desmethylangolensin (ODMA) concentrations provide a functional gut ST:STUDY_SUMMARY microbiome marker of dietary isoflavone daidzein metabolism to ODMA. Individuals ST:STUDY_SUMMARY who do not have gut microbial environments that produce ODMA have less favorable ST:STUDY_SUMMARY cardiometabolic and cancer risk profiles. Urinary metabolomics profiles were ST:STUDY_SUMMARY evaluated in relation to ODMA metabotypes within and between individuals over ST:STUDY_SUMMARY time. Secondary analysis was conducted of data from the BEAN2 trial, which was a ST:STUDY_SUMMARY cross-over study of premenopausal women consuming six months on a high- and a ST:STUDY_SUMMARY low-soy diet, each separated by a 1-month washout period. In all of the 672 ST:STUDY_SUMMARY samples in the study, 66 of the 84 women had the same ODMA metabotype at seven ST:STUDY_SUMMARY or all eight time points. Two or four urine samples per woman were selected ST:STUDY_SUMMARY based on temporal metabotypes in order to compare within and across individuals. ST:STUDY_SUMMARY Metabolomics assays for primary metabolism and biogenic amines were conducted in ST:STUDY_SUMMARY 60 urine samples from 20 women. ST:INSTITUTE George Mason University ST:LAST_NAME Frankenfeld ST:FIRST_NAME Cara ST:ADDRESS 4400 University Drive, Fairfax, VA 22030 ST:EMAIL prof.frankenfeld@gmail.com ST:PHONE 2062652563 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 180731bJWsa43_1 Subject:B134u1.2_005 | treatment:C0 RAW_FILE_NAME=180731bJWsa43_1.cdf; mx class=395495; mx sample=395556; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa39_1 Subject:B134u2.2_006 | treatment:C0 RAW_FILE_NAME=180731bJWsa39_1.cdf; mx class=395495; mx sample=395555; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa20_2 Subject:B134u4.2_007 | treatment:C0 RAW_FILE_NAME=180731bJWsa20_2.cdf; mx class=395495; mx sample=395554; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa05_2 Subject:B134u5.2_008 | treatment:C0 RAW_FILE_NAME=180731bJWsa05_2.cdf; mx class=395495; mx sample=395553; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa14_2 Subject:B169u1.2_009 | treatment:C0 RAW_FILE_NAME=180731bJWsa14_2.cdf; mx class=395495; mx sample=395552; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa08_1 Subject:B169u5.2_011 | treatment:C0 RAW_FILE_NAME=180801bJWsa08_1.cdf; mx class=395495; mx sample=395551; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa09_1 Subject:B311u6.2_023 | treatment:C0 RAW_FILE_NAME=180801bJWsa09_1.cdf; mx class=395495; mx sample=395550; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa37_1 Subject:B311u8.2_024 | treatment:C0 RAW_FILE_NAME=180731bJWsa37_1.cdf; mx class=395495; mx sample=395549; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa04_1 Subject:B312u3.2_025 | treatment:C0 RAW_FILE_NAME=180801bJWsa04_1.cdf; mx class=395495; mx sample=395548; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa27_1 Subject:B312u4.2_026 | treatment:C0 RAW_FILE_NAME=180731bJWsa27_1.cdf; mx class=395495; mx sample=395547; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa50_1 Subject:B328u5.2_031 | treatment:C0 RAW_FILE_NAME=180731bJWsa50_1.cdf; mx class=395495; mx sample=395546; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa22_2 Subject:B328u8.2_032 | treatment:C0 RAW_FILE_NAME=180731bJWsa22_2.cdf; mx class=395495; mx sample=395545; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa07_2 Subject:B334u2.2_033 | treatment:C0 RAW_FILE_NAME=180731bJWsa07_2.cdf; mx class=395495; mx sample=395544; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa03_1 Subject:B334u7.2_035 | treatment:C0 RAW_FILE_NAME=180801bJWsa03_1.cdf; mx class=395495; mx sample=395543; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa12_2 Subject:B393u2.2_038 | treatment:C0 RAW_FILE_NAME=180731bJWsa12_2.cdf; mx class=395495; mx sample=395542; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa46_1 Subject:B393u3.2_039 | treatment:C0 RAW_FILE_NAME=180731bJWsa46_1.cdf; mx class=395495; mx sample=395541; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa05_1 Subject:B407u2.2_041 | treatment:C0 RAW_FILE_NAME=180801bJWsa05_1.cdf; mx class=395495; mx sample=395540; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa11_2 Subject:B407u3.2_042 | treatment:C0 RAW_FILE_NAME=180731bJWsa11_2.cdf; mx class=395495; mx sample=395539; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa42_1 Subject:B434u1.2_047 | treatment:C0 RAW_FILE_NAME=180731bJWsa42_1.cdf; mx class=395495; mx sample=395538; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa32_1 Subject:B434u5.2_048 | treatment:C0 RAW_FILE_NAME=180731bJWsa32_1.cdf; mx class=395495; mx sample=395537; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa08_2 Subject:B455u6.2_053 | treatment:C0 RAW_FILE_NAME=180731bJWsa08_2.cdf; mx class=395495; mx sample=395536; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa04_2 Subject:B455u7.2_054 | treatment:C0 RAW_FILE_NAME=180731bJWsa04_2.cdf; mx class=395495; mx sample=395535; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa41_1 Subject:B169u4.2_010 | treatment:C1 RAW_FILE_NAME=180731bJWsa41_1.cdf; mx class=395495; mx sample=395534; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa19_2 Subject:B169u6.2_012 | treatment:C1 RAW_FILE_NAME=180731bJWsa19_2.cdf; mx class=395495; mx sample=395533; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa31_1 Subject:B311u2.2_021 | treatment:C1 RAW_FILE_NAME=180731bJWsa31_1.cdf; mx class=395495; mx sample=395532; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa21_2 Subject:B311u5.2_022 | treatment:C1 RAW_FILE_NAME=180731bJWsa21_2.cdf; mx class=395495; mx sample=395531; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa10_1 Subject:B312u5.2_027 | treatment:C1 RAW_FILE_NAME=180801bJWsa10_1.cdf; mx class=395495; mx sample=395530; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa11_1 Subject:B312u6.2_028 | treatment:C1 RAW_FILE_NAME=180801bJWsa11_1.cdf; mx class=395495; mx sample=395529; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa34_1 Subject:B328u2.2_029 | treatment:C1 RAW_FILE_NAME=180731bJWsa34_1.cdf; mx class=395495; mx sample=395528; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa35_1 Subject:B328u3.2_030 | treatment:C1 RAW_FILE_NAME=180731bJWsa35_1.cdf; mx class=395495; mx sample=395527; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa18_2 Subject:B334u5.2_034 | treatment:C1 RAW_FILE_NAME=180731bJWsa18_2.cdf; mx class=395495; mx sample=395526; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa44_1 Subject:B334u8.2_036 | treatment:C1 RAW_FILE_NAME=180731bJWsa44_1.cdf; mx class=395495; mx sample=395525; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa36_2 Subject:B393u1.2_037 | treatment:C1 RAW_FILE_NAME=180731bJWsa36_2.cdf; mx class=395495; mx sample=395524; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa03_2 Subject:B393u8.2_040 | treatment:C1 RAW_FILE_NAME=180731bJWsa03_2.cdf; mx class=395495; mx sample=395523; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa49_1 Subject:B407u5.2_043 | treatment:C1 RAW_FILE_NAME=180731bJWsa49_1.cdf; mx class=395495; mx sample=395522; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa28_1 Subject:B407u6.2_044 | treatment:C1 RAW_FILE_NAME=180731bJWsa28_1.cdf; mx class=395495; mx sample=395521; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa09_2 Subject:B434u6.2_049 | treatment:C1 RAW_FILE_NAME=180731bJWsa09_2.cdf; mx class=395495; mx sample=395520; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa40_1 Subject:B434u7.2_050 | treatment:C1 RAW_FILE_NAME=180731bJWsa40_1.cdf; mx class=395495; mx sample=395519; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa38_1 Subject:B455u2.2_051 | treatment:C1 RAW_FILE_NAME=180731bJWsa38_1.cdf; mx class=395495; mx sample=395518; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa23_2 Subject:B455u5.2_052 | treatment:C1 RAW_FILE_NAME=180731bJWsa23_2.cdf; mx class=395495; mx sample=395517; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa25_1 Subject:B248u1.2_019 | treatment:NC0 RAW_FILE_NAME=180731bJWsa25_1.cdf; mx class=395495; mx sample=395516; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa10_2 Subject:B248u2.2_020 | treatment:NC0 RAW_FILE_NAME=180731bJWsa10_2.cdf; mx class=395495; mx sample=395515; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa26_1 Subject:B105u3.1_001 | treatment:NC1 RAW_FILE_NAME=180731bJWsa26_1.cdf; mx class=395495; mx sample=395514; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa07_1 Subject:B105u4.2_002 | treatment:NC1 RAW_FILE_NAME=180801bJWsa07_1.cdf; mx class=395495; mx sample=395513; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa16_2 Subject:B126u2.2_003 | treatment:NC1 RAW_FILE_NAME=180731bJWsa16_2.cdf; mx class=395495; mx sample=395512; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa48_1 Subject:B126u7.2_004 | treatment:NC1 RAW_FILE_NAME=180731bJWsa48_1.cdf; mx class=395495; mx sample=395511; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa13_1 Subject:B185u2.2_013 | treatment:NC1 RAW_FILE_NAME=180801bJWsa13_1.cdf; mx class=395495; mx sample=395510; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa06_1 Subject:B185u5.2_014 | treatment:NC1 RAW_FILE_NAME=180801bJWsa06_1.cdf; mx class=395495; mx sample=395509; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa47_1 Subject:B199u6.2_015 | treatment:NC1 RAW_FILE_NAME=180731bJWsa47_1.cdf; mx class=395495; mx sample=395508; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa24_2 Subject:B199u7.2_016 | treatment:NC1 RAW_FILE_NAME=180731bJWsa24_2.cdf; mx class=395495; mx sample=395507; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa12_1 Subject:B234u1.2_017 | treatment:NC1 RAW_FILE_NAME=180801bJWsa12_1.cdf; mx class=395495; mx sample=395506; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa06_2 Subject:B234u6.2_018 | treatment:NC1 RAW_FILE_NAME=180731bJWsa06_2.cdf; mx class=395495; mx sample=395505; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa30_1 Subject:B431u3.2_045 | treatment:NC1 RAW_FILE_NAME=180731bJWsa30_1.cdf; mx class=395495; mx sample=395504; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa01_1 Subject:B431u5.2_046 | treatment:NC1 RAW_FILE_NAME=180801bJWsa01_1.cdf; mx class=395495; mx sample=395503; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa33_1 Subject:B483u2.2_055 | treatment:NC1 RAW_FILE_NAME=180731bJWsa33_1.cdf; mx class=395495; mx sample=395502; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa17_2 Subject:B483u7.2_056 | treatment:NC1 RAW_FILE_NAME=180731bJWsa17_2.cdf; mx class=395495; mx sample=395501; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa45_1 Subject:B524u6.2_057 | treatment:NC1 RAW_FILE_NAME=180731bJWsa45_1.cdf; mx class=395495; mx sample=395496; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa13_2 Subject:B524u8.2_058 | treatment:NC1 RAW_FILE_NAME=180731bJWsa13_2.cdf; mx class=395495; mx sample=395497; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180801bJWsa02_1 Subject:B532u1.2_059 | treatment:NC1 RAW_FILE_NAME=180801bJWsa02_1.cdf; mx class=395495; mx sample=395498; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa29_1 Subject:B532u4.4_060 | treatment:NC1 RAW_FILE_NAME=180731bJWsa29_1.cdf; mx class=395495; mx sample=395499; species=human; organ=urine; treatment=treated - human urine SUBJECT_SAMPLE_FACTORS - 180731bJWsa15_2 Subject:B532u5.2_061 | treatment:NC1 RAW_FILE_NAME=180731bJWsa15_2.cdf; mx class=395495; mx sample=395500; species=human; organ=urine; treatment=treated - human urine #COLLECTION CO:COLLECTION_SUMMARY Urine biospecimens were collected during cross-over trial among premenopausal CO:COLLECTION_SUMMARY women conducted from 2007-2010, and details about the study design and CO:COLLECTION_SUMMARY population are published elsewhere (Morimoto et al 2014; Maskarinec et al 2011; CO:COLLECTION_SUMMARY Maskarinec et al 2012). The BEAN2 trial was a cross-over study with six months CO:COLLECTION_SUMMARY on a high- and a low-soy diet, each separated by a 1-month washout period. The CO:COLLECTION_SUMMARY objective of the study was to evaluate soy intake and nipple aspirate fluid, a CO:COLLECTION_SUMMARY possible indicator of breast cancer risk. Eligibility criteria for the parent CO:COLLECTION_SUMMARY study included a normal mammogram, no oral contraceptives, not pregnant, no CO:COLLECTION_SUMMARY previous cancer diagnosis or breast surgery, regular menstrual periods, low soy CO:COLLECTION_SUMMARY intake, and the ability to produce nipple aspirate fluid. There were 84 women CO:COLLECTION_SUMMARY from the original trial who had eight stored urine samples over the cross-over CO:COLLECTION_SUMMARY intervention, from which 60 samples were selected for metabolomics analysis. CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY As part of the parent study, daidzein, equol, and ODMA concentrations were TR:TREATMENT_SUMMARY analyzed by liquid chromatography tandem mass spectrometry (LC-MS/MS) as TR:TREATMENT_SUMMARY detailed elsewhere (Franke et al 2009). These previously measured concentrations TR:TREATMENT_SUMMARY were used to classify metabotypes. Each urine sample was identified as being TR:TREATMENT_SUMMARY ODMA producer/non-producer and equol producer/non-producer based on a cut-off of TR:TREATMENT_SUMMARY equol/ODMA:daidzein ratio of 0.018 (36). All samples, except two samples, which TR:TREATMENT_SUMMARY were excluded from selection, had daidzein concentrations >2 nmol/mg creatinine, TR:TREATMENT_SUMMARY indicating sufficient presence of the precursor metabolite for metabolite TR:TREATMENT_SUMMARY detection. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Urine samples were stored at -80C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Urine samples were analyzed by the National Institutes of Health (NIH) West CH:CHROMATOGRAPHY_SUMMARY Coast Metabolomics Center in the Fiehn laboratory, using established protocols CH:CHROMATOGRAPHY_SUMMARY and more detail on these protocols are available elsewhere (Fiehn et al 2008). CH:CHROMATOGRAPHY_SUMMARY To consider broad aspects of metabolism relevant to diet, primary metabolism and CH:CHROMATOGRAPHY_SUMMARY biogenic amines platforms were evaluated. In brief, primary metabolism CH:CHROMATOGRAPHY_SUMMARY metabolites were assayed using automated liner exchange-cold injection system, CH:CHROMATOGRAPHY_SUMMARY gas chromatography-time of flight mass spectrometry (ALEX-CIS GCTOF). CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Leco Pegasus IV GC CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS fter hard ionization by electron ionization, one electron gets abstracted from MS:MS_COMMENTS the intact molecules which hence become positively charged. The standardized -70 MS:MS_COMMENTS eV ionization voltage is so high that molecules fragment into multiple product MS:MS_COMMENTS ions, which may also form rearrangements among each other. Fragments are then MS:MS_COMMENTS analyzed by time of flight mass spectrometry which is made here by the vendor MS:MS_COMMENTS Leco corporation not to obtain accurate mass information at high resolution but MS:MS_COMMENTS instead to obtain mass spectra at very high sensitivity and speed. Mass MS:MS_COMMENTS spectrometry parameters are used as follows: a Leco Pegasus IV mass spectrometer MS:MS_COMMENTS is used with unit mass resolution at 17 spectra s-1 from 80-500 Da at -70 eV MS:MS_COMMENTS ionization energy and 1800 V detector voltage with a 230°C transfer line and a MS:MS_COMMENTS 250°C ion source. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples 180731bJWsa43_1 180731bJWsa39_1 180731bJWsa20_2 180731bJWsa05_2 180731bJWsa14_2 180801bJWsa08_1 180801bJWsa09_1 180731bJWsa37_1 180801bJWsa04_1 180731bJWsa27_1 180731bJWsa50_1 180731bJWsa22_2 180731bJWsa07_2 180801bJWsa03_1 180731bJWsa12_2 180731bJWsa46_1 180801bJWsa05_1 180731bJWsa11_2 180731bJWsa42_1 180731bJWsa32_1 180731bJWsa08_2 180731bJWsa04_2 180731bJWsa41_1 180731bJWsa19_2 180731bJWsa31_1 180731bJWsa21_2 180801bJWsa10_1 180801bJWsa11_1 180731bJWsa34_1 180731bJWsa35_1 180731bJWsa18_2 180731bJWsa44_1 180731bJWsa36_2 180731bJWsa03_2 180731bJWsa49_1 180731bJWsa28_1 180731bJWsa09_2 180731bJWsa40_1 180731bJWsa38_1 180731bJWsa23_2 180731bJWsa25_1 180731bJWsa10_2 180731bJWsa26_1 180801bJWsa07_1 180731bJWsa16_2 180731bJWsa48_1 180801bJWsa13_1 180801bJWsa06_1 180731bJWsa47_1 180731bJWsa24_2 180801bJWsa12_1 180731bJWsa06_2 180731bJWsa30_1 180801bJWsa01_1 180731bJWsa33_1 180731bJWsa17_2 180731bJWsa45_1 180731bJWsa13_2 180801bJWsa02_1 180731bJWsa29_1 180731bJWsa15_2 Factors Subject:B134u1.2_005 | treatment:C0 Subject:B134u2.2_006 | treatment:C0 Subject:B134u4.2_007 | treatment:C0 Subject:B134u5.2_008 | treatment:C0 Subject:B169u1.2_009 | treatment:C0 Subject:B169u5.2_011 | treatment:C0 Subject:B311u6.2_023 | treatment:C0 Subject:B311u8.2_024 | treatment:C0 Subject:B312u3.2_025 | treatment:C0 Subject:B312u4.2_026 | treatment:C0 Subject:B328u5.2_031 | treatment:C0 Subject:B328u8.2_032 | treatment:C0 Subject:B334u2.2_033 | treatment:C0 Subject:B334u7.2_035 | treatment:C0 Subject:B393u2.2_038 | treatment:C0 Subject:B393u3.2_039 | treatment:C0 Subject:B407u2.2_041 | treatment:C0 Subject:B407u3.2_042 | treatment:C0 Subject:B434u1.2_047 | treatment:C0 Subject:B434u5.2_048 | treatment:C0 Subject:B455u6.2_053 | treatment:C0 Subject:B455u7.2_054 | treatment:C0 Subject:B169u4.2_010 | treatment:C1 Subject:B169u6.2_012 | treatment:C1 Subject:B311u2.2_021 | treatment:C1 Subject:B311u5.2_022 | treatment:C1 Subject:B312u5.2_027 | treatment:C1 Subject:B312u6.2_028 | treatment:C1 Subject:B328u2.2_029 | treatment:C1 Subject:B328u3.2_030 | treatment:C1 Subject:B334u5.2_034 | treatment:C1 Subject:B334u8.2_036 | treatment:C1 Subject:B393u1.2_037 | treatment:C1 Subject:B393u8.2_040 | treatment:C1 Subject:B407u5.2_043 | treatment:C1 Subject:B407u6.2_044 | treatment:C1 Subject:B434u6.2_049 | treatment:C1 Subject:B434u7.2_050 | treatment:C1 Subject:B455u2.2_051 | treatment:C1 Subject:B455u5.2_052 | treatment:C1 Subject:B248u1.2_019 | treatment:NC0 Subject:B248u2.2_020 | treatment:NC0 Subject:B105u3.1_001 | treatment:NC1 Subject:B105u4.2_002 | treatment:NC1 Subject:B126u2.2_003 | treatment:NC1 Subject:B126u7.2_004 | treatment:NC1 Subject:B185u2.2_013 | treatment:NC1 Subject:B185u5.2_014 | treatment:NC1 Subject:B199u6.2_015 | treatment:NC1 Subject:B199u7.2_016 | treatment:NC1 Subject:B234u1.2_017 | treatment:NC1 Subject:B234u6.2_018 | treatment:NC1 Subject:B431u3.2_045 | treatment:NC1 Subject:B431u5.2_046 | treatment:NC1 Subject:B483u2.2_055 | treatment:NC1 Subject:B483u7.2_056 | treatment:NC1 Subject:B524u6.2_057 | treatment:NC1 Subject:B524u8.2_058 | treatment:NC1 Subject:B532u1.2_059 | treatment:NC1 Subject:B532u4.4_060 | treatment:NC1 Subject:B532u5.2_061 | treatment:NC1 xylulose NIST 20250 29527 29166 24157 14997 15573 20679 18431 15462 15711 12379 12894 20081 23396 5484 14922 15119 15884 21056 17217 16534 19333 17669 17793 20683 15530 13451 14397 14869 14523 14200 15272 15810 21374 15761 10570 16824 22294 17139 18976 15039 12475 13307 19103 8351 15715 11326 14268 15927 15382 16219 17437 18353 10343 7364 4141 16360 15205 16010 17032 11472 xylose 27017 54563 35161 26630 16149 35375 31144 28649 32205 35274 29791 27896 30689 41028 19562 91100 23371 22048 26958 25491 14134 52956 92729 68457 21435 17656 44631 32475 42109 35835 62266 18692 84473 48216 51883 31587 31766 34410 17838 61020 27125 45606 105848 84412 13501 73617 89087 123851 64624 24583 42847 66893 48982 52614 20870 30495 68370 118005 60845 55923 48092 xylitol 12045 45255 32486 21670 8361 6574 8061 11248 10786 30338 13700 11875 9122 15138 1933 27275 6747 8340 221057 157509 3530 11165 13689 6943 11856 13163 9071 7710 14145 8834 29541 7229 38105 10795 11341 2108 198088 138455 5740 12955 13041 18817 28715 11896 1479 19878 4507 16519 18513 12340 9802 6120 8475 18239 4411 6187 9847 9542 16755 18542 7538 xanthine 4649 3769 2399 8333 5375 3928 11399 2926 3964 3895 3239 2861 10446 9725 6603 2707 4246 8590 8349 15984 6781 3311 7355 5183 7542 5183 4275 3536 4718 7157 5239 8424 3999 4397 3351 8231 19530 5893 5833 5081 7337 4368 7156 4256 6466 4163 4740 4487 2253 3770 8239 3893 5373 7320 1347 1605 5332 4101 3085 4684 3772 uric acid 277466 414445 206905 441497 316437 193423 569166 376684 177149 225736 213588 223796 534174 496509 350624 128523 196771 324645 252223 322688 278178 207087 541464 355834 350510 411221 615254 269894 315608 411857 362905 403828 174934 219825 205559 307012 646165 356621 362135 202202 1154343 242490 525000 260250 476487 405770 281452 209947 303068 334587 487656 245971 293214 376060 70556 135023 381213 238414 182645 232323 233242 urea 1424774 2235346 1529674 183013 1921390 191814 227700 138684 209365 225924 101353 1290203 2586564 4887641 212034 89203 172275 51890 190870 125935 2947799 2047803 1684204 1630821 1422250 158352 380082 223984 27008 3274238 4177296 145353 19448 1898138 217494 4037676 1603979 1642729 2279027 1996127 1765191 198125 1240935 319549 2059103 915256 159927 1801578 162190 181473 3669735 1481048 1739670 81326 28817 47728 70730 3544603 2871122 1692356 140671 uracil 4800 72594 3376 10431 8131 14628 15294 10526 10298 15715 5661 6125 16919 23100 15532 7615 12410 17957 11247 14168 17170 12382 16559 8808 12828 10924 4467 8815 6243 5849 15999 13266 11692 7501 9269 13151 15431 7904 25014 16646 10394 19771 12774 17616 13466 7945 5318 4542 4409 4400 9666 10066 6460 5459 2089 1384 11100 14015 7918 7583 8386 UDP-glucuronic acid 195314 231415 170274 162368 34117 24834 21977 37823 39045 51987 21062 53685 29664 34325 16745 48975 29846 160013 41785 33640 36944 36620 26739 40413 39156 33542 40326 37355 32980 31844 94500 58725 40356 44964 22968 174994 47280 53795 40383 51955 37774 80695 50181 55432 40329 12148 41687 45421 32109 28303 37182 59329 66964 30233 22261 21059 40831 45861 59614 69042 34659 tyrosine 67569 56644 58304 42890 46565 36425 25857 17734 29006 32346 65518 79870 53727 57603 11249 30445 56457 39566 28290 21041 36411 29954 32778 37176 37544 36192 47841 35942 65769 99686 44860 38116 33836 38130 55923 42369 33692 33793 26078 21975 45524 27276 39491 31851 60299 33099 23858 21504 49796 49838 46803 75420 31786 25512 18422 53241 28935 24453 18822 32763 30587 tryptophan 20867 17429 23133 17244 16389 7616 8860 5331 3966 7346 16604 29704 23749 13476 1495 6631 7733 12589 4830 7038 7706 15362 10147 10784 11094 9491 7196 5459 17616 40173 16966 13723 7747 14275 12233 7047 11498 7360 3969 5379 11122 8316 19167 6368 11489 10511 2612 4089 12338 13055 13255 11581 11448 5381 2943 7753 5714 8851 2857 5198 4315 threonine 1860 1293 1008 2129 3000 4028 213 1024 1630 1162 2264 2732 2247 1521 978 522 3445 2518 1276 540 929 1282 2337 1388 756 811 1471 1071 4070 4707 2064 4535 1671 1088 2871 1347 909 746 2233 1413 2052 1108 636 2263 1794 1393 1983 1197 1371 1188 1435 2258 773 4930 596 410 1223 1139 1257 887 577 threonic acid 20583 30295 18646 22877 19857 21652 31602 20166 21655 18459 34201 15999 35594 26000 36592 21809 21748 19200 18951 18826 33652 53622 34198 21307 21809 16423 16659 18441 21311 22330 18610 22810 21433 33399 22238 52978 18337 24387 42672 26405 16161 18337 33650 50174 37144 32893 37909 30735 41115 24530 17244 31646 23982 16116 7773 6387 32544 43085 35373 42666 57250 threitol 21214 29645 17330 28455 15845 17506 141094 24558 19214 28663 22246 15207 22645 129721 3819 38077 14752 28485 128105 33792 13554 20855 184732 52546 19600 19118 28967 15981 33968 21635 39260 18419 34185 50356 31817 4631 41039 50598 17648 69637 22652 32859 74828 50036 4135 24029 19336 38402 204042 22256 17697 32625 40983 26038 10096 10828 29180 32674 80397 52596 42865 tartaric acid 225 1362 636 1016 1588 1078 715 1978 453 1542 274 1456 729 1000 8213 62674 421 1401 8989 668 2511 163892 65851 5606 1490 733 257 724 849 732 1606 530 111046 23441 1093 1180 446 961 1782 45728 1504 77891 62867 27004 1091 1042 93815 20386 1917 1815 1489 2268 1914 1391 1668 122 2178 167036 648 3933 866 tagatose 19366 12552 45192 63953 13568 18172 13887 35260 14881 41250 35526 50065 95190 71745 1310 44652 9059 13025 20068 11143 7503 20321 33637 39384 27667 34611 18711 10434 86475 23810 25142 79070 26566 17443 18679 6213 27393 50625 18901 67918 81292 79388 302535 55809 3490 14312 27744 99714 69294 26019 63730 17954 39368 22497 92468 8596 27391 27024 27275 90993 22625 sucrose 17967 3614 127825 53122 11379 7130 11549 6592 6232 23939 5588 11019 5975 18298 1673 22621 14359 15751 11851 16102 12883 2615 8803 6943 18974 6748 5117 10708 13382 9575 17035 5088 4587 8168 14433 8579 9502 14090 4164 10903 31146 8296 25075 31115 9395 5662 2596 18484 4022 2904 17992 17677 4942 7930 17686 564 5689 2399 10187 27932 15378 succinic acid 11548 195941 8678 12527 9075 13960 8028 11770 14123 12442 10372 10644 8078 9000 14518 20990 9159 14149 9980 19035 14132 12074 11339 9156 10631 7032 12606 12826 11511 10234 9656 5606 23741 17975 16349 18598 13823 12471 22819 13356 4597 18655 8401 14175 20675 10505 19282 19470 12135 9061 9071 12323 7414 8112 8346 13150 20768 17862 28943 8627 9320 sorbitol 14183 30112 25312 15911 8721 14690 17971 10783 13195 30318 515757 633198 11348 30030 13928 104664 435302 11604 38302 17935 10477 25532 60365 37778 7944 181573 38897 10594 24938 7255 28090 12525 73843 31833 76411 12387 52507 37106 8152 26695 14115 38616 166362 40104 7767 241392 17855 36013 33687 12475 29297 20776 23387 523421 13596 119247 2778 9711 30763 17647 28003 saccharic acid 1847 1920 1168 1841 2938 1803 2556 2395 2529 8028 4591 1474 1683 3197 662 5206 1253 2511 4582 4795 1438 1165 4576 2677 3895 3340 735 2269 6341 2473 10206 1630 2789 2341 4340 1282 3511 6278 1368 5028 2842 6405 6758 2556 1307 8554 566 4437 3691 2533 3324 1172 3869 5393 1672 3123 4282 3011 8145 10546 5479 ribose 14138 11091 13358 12077 9739 11806 11291 12617 9883 11864 11498 9756 17568 13665 15644 10035 9467 10739 14988 14860 14481 15554 15281 15153 12607 12902 10711 9127 9643 12681 15150 11087 13588 14497 16369 11525 12596 13365 11199 15729 12576 9497 11392 16032 13167 12474 14441 13397 15062 13472 9646 16125 16887 8449 19526 47733 12417 13590 12387 15058 11568 ribonic acid 9363 8997 5790 8009 9583 9384 12903 12750 8753 15480 5008 5529 16512 13993 7102 9246 10661 10883 11980 12145 14391 21895 15865 12985 11786 13657 10990 11387 10053 9082 18842 10187 6755 11601 12957 9186 14346 19267 14261 14544 14391 14350 18526 22738 7136 13980 21217 18923 11025 11595 9924 12723 16845 12465 5129 2998 16169 11119 15198 21590 5884 ribitol 13001 50279 20490 22094 8912 4535 11517 15792 8424 23143 8422 7209 12055 13897 7270 18652 7955 9617 49400 35664 8129 14483 17314 11047 12439 12385 9536 3880 18552 11881 25197 10055 14727 16747 7852 4875 38124 52999 9359 11583 10743 19061 28365 12004 33175 17591 6448 7973 23087 13905 10789 1741 15437 16531 5159 33140 12827 10478 12232 13148 10371 quinic acid 44226 6695 20384 10001 14023 4189 3007 2733 8573 1994 4304 7348 3757 2364 49036 66305 30171 30277 80750 24441 19820 21469 4981 4586 4505 2440 2510 3360 8411 4132 39418 2265 51477 83022 34912 25797 37756 44998 42420 42012 9182 5682 17127 70372 23882 2356 35074 67620 2220 9170 60292 70649 51095 30776 83287 33602 43041 32749 165025 185060 4756 pyrogallol 1355 9962 2789 4636 2658 1772 24525 4215 35117 15310 1971 1462 20198 9902 9378 4636 21586 3578 1845 1900 10251 6097 1688 1879 4825 6207 1337 2375 2254 1423 28087 3614 8025 9148 2953 3187 2651 5646 4392 10735 22864 23825 3123 5644 147756 7553 7845 10309 1919 3973 3137 8173 38158 2003 498 1063 22669 1777 2436 2763 4340 p-tolyl glucuronide 67444 31708 93058 1039 6350 3918 11623 9039 7268 3621 5029 2275 3576 7239 10529 8481 2388 4039 10378 11268 6898 6880 14327 19931 13634 5218 10066 2887 4143 6897 3978 1991 7336 15879 595 6636 19424 1553 11834 11731 605 13033 1465 1850 25781 9512 4309 3841 4076 7680 9925 4936 18834 11056 13799 11609 14714 12695 2413 7209 7627 pseudo uridine 121205 1701 140456 130995 121474 106298 133592 95215 142304 149700 91764 104282 204736 143600 79310 86622 124430 128310 130398 135314 162617 128155 118951 154342 158411 120188 143907 123014 133068 147644 124677 128743 102062 146108 121321 132513 138931 154511 156121 160504 125312 132434 149080 186360 131650 137096 130789 139455 130275 136765 118099 109132 159418 80722 44444 36779 125354 131847 146357 176383 141983 pinitol 3330 4415 4548 4990 4755 4233 4725 3555 7258 4230 4429 3536 38595 3746 3715 2484 5165 8141 4260 3976 7620 2684 4352 8997 25195 3165 4153 3280 6094 5357 4650 4607 2176 8168 5348 4587 6768 4757 6859 3399 5132 4057 21120 6056 3803 10562 7670 4547 4114 3526 4414 4553 3508 5441 3642 1400 8790 3844 2291 4598 5298 phosphate 348632 443403 275307 910865 655410 874583 745785 739563 1009021 859841 632272 403077 253540 655685 751542 585638 1112299 1040276 737757 746947 523252 297514 362349 195367 466009 713653 588893 867946 719595 483924 550325 1048619 523288 463460 958955 658340 341111 713275 961428 631244 544713 1231260 344488 566831 253938 99828 850784 440494 1242140 1093291 373413 471490 458050 933446 245522 260245 864622 494037 590665 544198 620385 phenol 13237 41837 13273 99387 41648 22337 19663 14211 126671 59446 12237 23206 73666 21028 34567 10951 28438 35468 94846 21293 82464 78949 42040 57674 33024 8696 164805 71465 11387 12172 12042 9553 36483 57511 26813 27519 63060 117931 48031 25390 14316 28647 16405 34876 27235 26671 21575 9158 14113 15621 78558 20639 16734 17816 3587 5178 20551 18534 12998 25479 16804 p-cresol 340544 500111 436955 31674 159310 135237 132298 123510 100823 27767 98419 90963 48468 153587 516156 133350 31319 89219 89854 95537 250825 157102 381154 477389 274708 56359 226814 72997 81897 101319 69881 28927 105614 304052 57693 150334 129931 25623 288498 192307 10403 396671 33618 18914 568375 115674 86241 55294 60544 79921 257669 146343 238434 177653 72204 122959 282447 241035 48885 193013 246478 oxoproline 190118 247722 217731 144246 202340 185906 151861 96320 153877 177323 204927 213800 269230 186865 168127 159577 182030 216096 187515 169079 192063 202962 188202 134648 155131 102309 139641 143892 218766 246562 375868 192527 165262 189701 184314 226071 167994 177873 181694 148621 144671 148186 125551 147763 168614 127474 263541 206291 163054 138889 144169 226198 199841 181990 34487 60084 134344 139980 133532 175024 148714 oxalic acid 769 1285 1116 1097 3119 1270 1860 886 1553 2766 1786 662 1326 971 6178 1040 2205 3158 868 1556 3354 2269 1503 298 1792 1031 1139 2566 1417 900 3397 2146 1504 372 1377 6506 2080 759 2364 1324 1364 2125 1346 857 2443 902 3255 1476 1681 2704 950 2321 934 509 1093 484 1714 3378 3075 1899 4707 N-carbamylglutamate 7731 15580 9714 4812 30428 17306 7931 5601 7181 6414 6496 20755 11971 6250 6497 4518 8190 6575 6723 3819 10629 10617 30611 25052 8009 7516 23462 5318 10505 8091 6440 4537 1781 10087 8242 5466 4952 13122 6392 5528 9425 3515 3740 6078 8648 6346 9432 2615 11496 14285 8249 6844 4100 5664 6130 6232 3622 4210 3104 4996 9648 N-acetylmannosamine 1922 3752 2408 3431 2231 2500 1508 2694 2533 3628 1808 2036 1374 2313 38 20860 2065 2045 2268 2259 53306 3373 5321 5986 1694 2245 1980 1267 4598 2540 4134 1478 3767 2899 5276 1041 2269 3472 1589 4507 2380 2500 8319 4148 1425 2308 1482 2707 3817 2874 1842 811 7065 2977 1494 2159 2576 3402 1878 3887 225619 n-acetyl-d-hexosamine 1622 760 2836 3618 2744 2452 3007 3693 1761 6719 3523 3236 1025 2172 235 512 2075 3985 3774 1942 1298 1379 4208 3877 3008 3641 1126 1950 5455 3558 5751 1703 2059 3450 4056 966 2676 4212 617 2382 1905 2345 6431 2957 637 3123 432 2413 7606 3842 1687 460 2645 4293 1464 2569 5692 4835 2285 5261 4018 N-acetylaspartic acid 6843 9348 8057 8066 6558 6233 5913 4782 7131 7571 6051 6389 8544 6508 8083 4264 9172 7427 5487 4864 9255 8029 7148 6086 7121 4812 10267 7777 5105 6111 6739 6119 5978 7479 9718 9645 5037 4831 5984 11443 5681 5761 7700 12187 10415 7832 8165 7227 4881 6537 7381 7962 9549 6896 2520 2428 5122 6077 8165 8130 4731 myo-inositol 24664 45621 36291 21981 23605 16364 45464 34281 16005 18801 40635 38680 17473 12463 13482 30424 25793 32776 14132 13137 20388 107121 21643 18018 48747 87929 12959 18719 28269 34389 13663 10944 24405 27563 27267 32892 15341 17516 20836 17931 17584 13555 17538 17666 42284 59989 61977 33705 23511 31705 15940 18358 36436 22205 137908 201906 15085 78801 37534 13557 16170 malic acid 1301 1953 1660 1371 2558 2804 2666 2038 2325 1709 1351 1472 1826 1397 1969 3692 3226 2679 3517 4274 1585 1683 2819 1695 4250 1379 1670 3130 1982 825 3035 1900 2922 1840 2021 1833 2723 2012 2801 983 2102 1457 1880 2008 2543 1747 3051 2926 1863 1378 1542 1529 1546 1204 1644 2215 2553 1319 1725 1693 1137 lyxitol 49912 43299 56350 66672 46451 32075 9705 78121 55699 145744 48180 54271 50106 64488 6203 125351 35568 58997 42468 71270 29831 61533 11329 58071 60878 99056 59175 42789 86681 67962 152515 31238 76038 82673 118727 9409 84943 128127 25099 85539 70738 125100 147139 77393 28701 92232 34102 78545 18702 188780 45755 25005 81465 114385 32298 31048 90176 67236 83314 136166 71927 lysine 105690 38613 23142 14773 21817 7732 768 5976 5284 13425 26170 33645 20530 10053 2148 4100 10202 9367 4375 1892 6680 13951 5559 4545 1700 7364 15419 7958 34656 72893 15451 13864 4786 5416 13484 13257 4061 4385 5627 2971 4975 1641 21106 8678 10599 7095 10491 5190 9999 14254 24241 48634 12047 8989 4901 7302 2142 3366 2590 2212 2956 levoglucosan 129588 9205 28961 15735 2894 8875 24649 21274 46077 7025 25282 173119 117820 133424 34077 111903 25074 9486 11321 3392 64850 35376 27059 1639 5534 11452 59998 55070 92493 25762 15535 51575 20736 147091 59440 20502 8884 10136 4523 5468 11760 56603 15388 25489 13180 10433 47388 223237 18585 24715 37410 136039 38059 7836 4338 8907 17857 1850 185981 202321 17477 lactic acid 10476 17259 12707 15144 10944 7306 9188 6048 9675 5489 4179 8542 11562 6982 44235 660 5732 14841 9049 6980 21108 11953 6611 14018 11348 5398 8296 13113 5025 9790 7937 5896 5289 20811 8418 14172 6323 9122 15726 7520 10701 9797 5969 12560 32618 5614 39216 12364 9809 17563 7198 15732 10184 4211 5412 8031 17847 7080 6571 7399 7585 isothreonic acid 65401 90632 58666 69266 42992 52313 76571 64943 54147 70517 53256 54061 75241 71218 48678 52206 57402 63078 69712 50444 67266 69787 84126 53153 75662 52681 49126 51744 64415 59645 75352 53388 46790 57492 72019 53067 54088 76081 65318 59562 59128 74523 75895 100545 64233 39709 82602 77288 101337 83028 50697 62870 60477 44057 25182 17692 60996 72076 73173 105288 83001 isohexonic acid 1847 1920 1168 1841 2938 1803 2556 2395 2529 9196 5281 1796 1683 3197 662 4393 1253 2511 5178 4795 1438 1165 5601 2677 3895 2767 735 2269 5425 2473 8713 1630 2430 2341 4340 1282 3511 5617 1368 3165 3414 5612 5997 1334 1307 7649 566 3895 3691 3043 3324 1172 3325 4532 1672 3123 4282 3011 7250 8346 4354 isocitric acid 38475 10590 35831 36684 35086 42911 45132 42104 54031 44671 31873 29589 39712 40188 38687 29028 25482 32903 56148 47865 41237 34972 31301 47905 63908 31596 39928 43514 38445 39021 40517 26002 46676 32667 40213 35650 58386 74392 34148 39849 33246 27390 31974 48445 43300 43608 53276 44592 36544 40552 41980 46049 49206 25031 18509 16743 32057 29312 36355 39781 30278 indoxyl sulfate 87567 117128 92206 45478 40892 12020 18855 29655 49062 58900 44753 55849 24671 24619 53821 28273 18774 32644 20318 9845 70388 93660 46861 46989 29518 17664 58870 25014 43034 40976 56292 15898 25326 47826 28773 33820 21013 20546 90677 68268 18271 66568 58684 35490 38179 15521 38756 22365 24209 25319 54529 43771 34876 27954 4502 6672 43224 40501 31696 60475 53739 indole-3-acetate 15438 27031 30390 13792 20544 13796 8537 7397 9370 17454 16963 14998 30955 19250 24926 9992 18246 9919 6954 14590 15677 21790 15015 19079 10372 7192 10207 7948 11527 15264 8754 17959 12396 14554 16211 35919 12335 9417 18214 14149 15460 10951 13922 7244 21019 45770 11029 6214 3985 5483 8812 15403 16030 11974 6111 9298 20743 14332 9048 17664 19810 hypoxanthine 5055 3320 4673 6770 5326 4359 11509 7901 5578 11201 4193 3883 10996 7620 6725 3494 1995 10425 7761 16454 8040 3651 6175 5572 10317 4352 2128 4618 5755 4751 5600 12103 4426 4273 3074 13640 9981 2731 8089 7973 6939 9187 5999 6116 4001 5162 4174 5348 1682 4040 6134 2834 6027 26379 1286 1962 3604 5438 5256 5271 5137 hydroxyproline dipeptide NIST 30462 27644 70678 10992 4936 1115 3155 824 9994 3231 5115 3786 19650 4356 13604 4655 2095 4622 6302 7832 16300 15428 16255 50893 7245 4850 27972 21856 4933 13469 6386 3594 13024 12180 1771 21995 17721 6993 7221 7947 2114 26245 29129 17007 12371 17096 6117 7067 1252 5602 23619 13683 24843 3835 23844 30272 9777 11595 16361 8388 18194 hexuronic acid 8087 22229 6920 3600 3534 3821 1525 2342 1757 8932 3264 2713 5562 2556 77418 4477 5130 2940 2645 2795 5107 3358 2019 4263 2180 3045 12351 17419 5891 2680 6219 7662 1732 4279 3070 8985 2490 2459 1540 3996 7847 4768 5756 11510 21337 8712 10113 4242 4068 2914 12331 8963 4074 4782 10364 12560 1466 3212 8411 5646 3491 hexitol 24428 46317 37786 34558 51660 39661 22964 14434 19935 22989 21768 14995 27955 28293 34275 53099 27823 26910 35795 26958 66304 124045 37665 36695 21079 27132 17301 19410 16637 18441 25945 24387 50671 72413 27188 48375 30961 31129 60517 41167 23365 13780 41618 49900 41999 67446 66183 38278 18070 14341 15354 23015 31107 18725 12809 12697 43203 67551 82860 25749 28740 glycolic acid 66245 80136 33046 23176 69325 35660 29140 21914 14304 13133 50219 72900 42398 27156 33446 9923 22058 29866 18590 11950 25846 22705 28273 23874 32542 25614 40824 21148 13453 61490 11787 29151 11539 18767 39803 24745 15911 22916 17113 9654 28214 11636 15431 24377 65995 17991 24191 10685 19943 34213 44175 73275 32524 9579 7310 18539 10559 18274 8005 14113 20179 glycine 101425 107253 64013 70525 321651 332839 25075 71945 35630 77431 209558 190353 45220 52022 47373 92666 92488 92974 78605 55133 51589 117946 65309 84816 41249 48038 46150 37643 354266 265481 67400 197341 106507 73771 74672 54444 77285 54357 63350 43848 67886 70905 42925 15731 39312 78820 45863 47387 68531 53716 81427 198747 50388 125287 20563 14034 50917 56128 30231 51677 71143 glycerol-alpha-phosphate 2720 348 1840 2222 3755 2037 1341 1189 2349 2187 4045 4138 2636 3382 2057 2298 3800 3896 2415 2454 2847 3028 2186 1544 3414 2291 4206 2315 3514 4307 2260 2738 1430 3115 4351 1933 1914 3649 2171 4096 4103 2594 2030 4856 2676 1907 3409 1744 3960 4870 2617 2510 3578 4126 1044 610 1625 983 437 1930 2383 glycerol-3-galactoside 7364 8717 31757 164159 20417 21878 28700 31909 14046 23832 54911 44012 25321 18373 2177 27884 49079 11280 10555 10569 43059 37204 25405 33852 25812 50837 120945 9924 34856 8794 9542 16669 8458 47374 20323 7320 8857 52822 2885 25844 65194 13251 29028 44664 30800 15476 14638 11048 76836 151258 20103 23647 33207 21500 6533 10987 1753 31459 71006 84222 30444 glycerol 88495 67132 57833 130240 108929 96932 83207 115798 127825 87219 78315 63841 102874 102532 80277 61214 105456 112133 131702 86402 193425 36786 66085 61741 80719 59436 72691 116256 100598 123779 113780 102273 59812 75335 98760 135407 144601 124825 146962 122303 112506 81568 75264 82539 72057 54196 98329 60338 95158 150686 128525 101585 103868 99779 16562 9996 139999 93702 89935 56201 70947 glyceric acid 12660 7656 8466 8887 7252 8193 7526 6971 8409 3068 7277 5012 13190 3963 13030 8328 9363 8962 5125 4506 5667 12103 4913 18049 3438 4787 12797 8008 6494 6500 8179 8895 10202 9108 7110 22719 6500 8178 11289 7667 10298 9680 5936 9788 15656 8589 10957 4575 5610 3792 4577 9737 9420 6108 3592 4317 12528 7177 8232 4705 10000 glucose 2765 1179 4465 3818 2448 1782 1059 4636 1369 8230 2915 3132 1360 2796 450 4423 1751 3932 2097 2761 1493 1652 2966 1195 577 50190 2312 1596 2300 2485 7804 1195 1999 4992 3608 797 3857 3137 310 2982 3402 987 6854 1553 340 10179 627 899 622 1293 3059 2194 3738 8079 817259 499563 582 2837 4085 4087 4457 gluconic acid lactone 1312 969 2024 1157 2638 1057 3039 1616 2335 6042 2380 2813 1940 3579 1228 3477 1581 1968 2294 2883 2365 6341 3034 2605 2431 1014 2904 2046 1966 2106 5027 903 2319 1365 2288 1381 2590 5125 2798 3883 3405 837 5891 2274 1440 5133 1572 1894 2067 2109 1413 586 3973 3829 2373 13186 1651 3641 3418 4138 4697 gluconic acid 5783 7801 8301 6083 9940 4063 2924 9260 6638 25029 9513 10170 6175 9082 798 11041 7324 11332 4129 2533 6988 6411 10574 8225 724 10963 9914 6956 2703 7252 18685 4575 2304 7339 9885 1749 2397 5655 1171 16070 14153 1024 24101 10704 1227 23901 1475 7577 7004 10997 5046 3658 13402 18038 19410 38607 826 8740 12182 19669 11564 galactose 15265 3332 24433 17301 15028 8861 4824 28303 6663 48065 18578 20772 10437 14781 604 28580 7385 19009 11107 12692 3007 9872 22081 9551 2332 266538 16151 6437 12452 18860 51454 8772 12271 22059 24045 2834 14867 18168 1655 16030 17574 2173 45868 9251 1221 58805 3233 13542 2787 12205 21630 9986 23585 48168 877757 984745 1318 14818 18565 24275 20510 galactonic acid 6836 21585 6699 4632 15526 6871 4563 10517 11169 26998 10878 12215 3205 10699 3404 9481 10355 14871 4321 5961 3955 26524 11401 10487 3004 13139 13447 10739 7467 10403 30413 7651 10099 23205 4010 5889 2930 5093 1165 19100 16124 5371 7778 12645 4141 9073 5229 8958 14949 13295 12650 6578 14543 17026 20853 34610 3151 28835 35471 21161 12127 fumaric acid 3461 9039 5246 4943 3312 7211 3724 3776 5304 6017 4206 5429 7320 4749 4268 7470 3409 6017 5535 10943 5431 4241 3495 2950 5478 4472 4383 3769 5084 5611 5603 6134 8860 5480 4829 5626 7603 7360 3324 4981 4272 5915 2864 2074 6517 1771 5109 3594 4042 5869 3977 3542 3658 3088 2668 3522 5305 7164 4337 3917 3688 fucose 28290 20904 40391 30814 20508 17996 21182 28961 21508 58296 33989 32597 29715 30970 21634 41826 16275 21118 99282 87711 28121 54244 32528 21239 20199 16655 25060 16645 37437 27048 49972 21728 43421 42055 24885 22427 98148 65460 27209 41228 21230 37611 43620 32569 44088 40196 29020 35550 68346 37344 29264 22480 33964 32264 13821 14976 26394 38510 32263 40293 33999 fructose 3424 1270 33717 12230 3737 1646 794 1004 760 1616 2660 10597 1449 1792 625 38766 3949 2279 1530 1679 1825 6145 2941 2511 2412 2652 1883 882 708 3073 23225 1588 4412 9958 11791 2583 763 1214 888 1585 42164 1044 12856 14166 1358 2604 982 4073 1290 1800 20204 12687 2588 2999 63164 6197 1132 9217 1790 5887 4325 erythronic acid lactone 1728 1161 1190 2007 2055 1274 1779 1600 2262 1319 1167 1395 2490 3186 3521 1656 2752 958 939 1469 3577 2146 1106 1634 1314 743 1850 3093 1751 1020 1453 3659 1783 2078 1758 4596 1553 1917 1854 1465 2464 1856 1092 2342 1621 852 1841 1184 1569 1402 1675 3367 1666 1239 1735 701 1726 2542 3694 2482 1436 erythritol 116136 213475 118665 153575 96804 95941 163095 144344 106987 160590 100979 111069 129115 148945 32817 248793 106841 133232 148298 102337 112123 126311 212377 112199 158104 144580 103381 96029 123515 103680 158304 97375 327207 166706 209119 48439 119100 168662 107186 177249 134639 172088 182827 218546 53348 86420 161780 209346 237180 159752 100472 86595 148460 141042 61495 49324 133883 188303 142400 160319 140403 diglycerol 20641 18795 135774 43348 37854 42502 20841 36053 38405 16057 17230 15447 88156 10175 10512 8078 50808 33571 62020 55757 78377 66617 39528 22824 55003 39872 8555 51193 19414 7062 19268 4624 6091 11649 53602 79632 62203 73433 63926 8207 5938 12165 11027 36364 6144 16504 17123 13242 22456 88627 11805 75578 48771 10890 12639 4502 9187 15766 19100 46336 32669 deoxypentitol 5379 19984 12168 9704 4468 5295 5998 6540 6468 7965 5451 5488 10203 9717 1717 17028 7408 5843 7886 7663 6459 7017 7409 5017 8334 5028 4930 4752 9242 8396 7648 4766 8847 4366 8287 4005 7250 8432 3051 9785 8351 7088 13182 14667 4215 5676 8471 7272 7767 4669 8720 6176 3816 5295 2248 2650 4918 2432 12886 9607 10330 dehydroascorbic acid 142628 27913 65091 87393 178254 248184 113128 241029 250337 7248 67321 146573 422998 360932 74133 76186 435141 90735 328943 297654 513109 100249 117318 258505 175291 249567 354291 680143 21028 100053 6002 427924 132488 27234 148026 288237 355946 187818 181804 356811 362665 12157 15828 382536 34787 3944 126489 177720 10703 90047 330706 216488 323448 2807 468193 245577 222972 245267 311471 128073 222424 creatinine 37310 44637 33359 52213 105711 9752 11837 129746 10919 52594 24571 32144 154000 21384 27040 10963 5490 88725 33640 176064 34940 191746 14420 8079 20684 23610 1072 1733 67823 79961 31523 157635 13947 24376 7699 51968 53488 15916 25709 72042 38997 16346 24779 12830 23106 1442 15440 40811 11145 45773 20096 10232 39471 34831 22766 48019 8829 53618 21731 38024 13311 conduritol-beta-epoxide 1270 1776 1141 1030 5437 582 3160 0 988 2254 1061 1808 1486 2098 3088 695 1818 3670 1110 967 1594 94581 534 780 3406 4471 1246 956 2768 2710 5069 1019 5493 1949 576 15568 1453 1659 1087 903 1214 1024 1630 2094 2646 2792 3795 1694 591 955 2317 867 825 186 5447 3105 2702 71931 36714 1090 1081 citric acid 598528 12937 557218 281550 644258 902393 860625 922339 836107 867738 770193 554874 436597 421723 645343 893206 268895 533845 315276 630823 366209 475284 577953 996378 1076594 649518 381181 622716 681899 811164 637876 328566 935909 764695 629681 669066 287648 411130 365743 535035 213488 203984 533229 458322 767611 1514063 645575 866117 450969 450212 630765 589469 662569 378776 408467 447256 609602 602081 653526 460734 723582 catechol 39395 4882 3053 1965 1614 3225 3278 3052 3404 3696 1935 5137 2914 2511 11423 3579 2959 2171 2544 2807 7480 2551 4289 9155 3280 2214 3669 4067 4933 4565 10335 355 9319 10166 4906 6577 3123 4790 4544 3174 3113 4806 7116 11547 17141 4740 9783 7873 2221 2298 4266 3505 6581 5160 1558 5019 16213 12547 6793 8569 9813 benzoic acid 61035 73418 19973 33346 29410 15421 15307 33599 10798 20270 13703 18798 34946 22957 39392 16507 19706 30153 19534 11973 37293 47303 22076 18789 21093 14266 14900 16362 21234 20597 40708 32189 23692 57916 20536 50880 22040 20178 46521 25037 20237 28524 13320 24427 32634 8825 20948 37181 23045 21009 21258 164581 29355 16577 8573 76843 28491 42703 33155 26885 31895 ascorbic acid 15051 2590 5338 6865 4036 5617 4371 2851 4406 770 4850 2325 10784 4741 183814 956 8547 2551 2583 4508 9072 2910 6844 6796 3513 4070 29347 39747 1242 2558 800 16159 2470 1279 775 19869 6385 3732 3366 5369 15669 1459 1918 22591 49133 1249 21889 2931 508 8184 29953 18675 5640 1074 14291 20534 3264 3338 17964 3268 4563 alpha-ketoglutarate 1562 1308 1147 1331 1390 2952 4604 2256 3260 1642 2081 2034 920 1943 16046 965 5186 1213 2316 2850 2603 2365 1158 1767 5039 1898 1993 5245 595 895 1129 2757 2917 1272 1997 625 4335 1964 1585 1352 2568 1801 627 1785 2279 1934 1237 2532 1201 1757 2484 2878 1838 1951 2846 832 2035 1777 2181 613 634 alanine 47135 30088 79361 72362 76003 16069 12185 30640 5762 21350 56363 24994 23169 9094 4096 29850 18331 23864 19724 15229 24252 35788 9522 35269 12081 18235 7390 12253 53239 62751 24619 42371 21510 18880 23289 18023 95011 6506 25282 16588 44142 12338 11641 9265 11814 21429 11579 20470 15885 11034 13326 44072 29003 53491 17921 9581 13094 13152 9874 14578 28355 adipic acid 6828 13807 11358 18839 12216 11740 7664 7016 11870 14175 5377 6118 21122 16775 10134 6904 6055 14876 4137 6570 18353 26481 6684 7762 9105 5144 11446 9687 5222 9950 14711 10165 5685 36608 9763 9318 9419 5982 8890 10069 35891 13128 7214 9391 9200 4551 11602 13469 3576 6942 5927 14810 25725 4025 2265 23451 4565 10506 6805 8622 7707 aconitic acid 27666 38132 29176 21691 21156 33309 32372 27168 28963 22319 18029 21245 28072 20361 30855 27762 16181 18696 40517 41406 28270 26160 18767 28917 47204 17604 32350 24996 22927 24572 24173 14552 37464 27456 23861 28045 44322 51884 22280 20083 18950 17628 24610 32460 41486 16042 40928 26844 19970 22309 26952 32089 26997 13700 12831 9669 18353 18681 20201 22638 17613 5-hydroxy-3-indoleacetic acid 5793 8242 9098 6130 7365 6458 4721 3377 5170 6090 2873 5391 10243 7132 5474 4613 4825 6358 4255 4789 9626 10213 8241 7044 5295 3290 5833 4662 3693 4128 7517 6087 3260 5713 8099 8785 2932 4245 9897 8950 6154 2835 6695 8507 11492 7217 6050 4747 4103 6416 5222 4524 6576 3828 9802 1839 8380 7238 8936 7899 6045 4-hydroxyphenylacetic acid 16986 23684 51691 38216 11770 6576 15437 8554 15401 12654 10542 19975 13627 16676 40609 27900 22383 30574 27808 17400 24039 27649 15085 10841 11514 16170 15409 9816 8897 21347 73060 11546 45206 28276 25599 57523 40110 30480 22054 19257 11344 23333 19822 13908 19183 13972 18916 8840 9703 8993 23314 29510 13115 9335 3900 5611 38971 34263 17761 18021 15965 4-hydroxyhippuric acid NIST 8399 5189 3130 6786 6759 2241 6409 1934 10003 4070 2126 2143 5244 2659 12880 5253 5356 6941 4699 6887 14489 34385 3179 4942 5105 4464 13505 8421 3013 1637 12039 1830 8032 5011 3676 13663 4271 4539 11782 12065 2748 5317 40588 39653 23776 22087 7078 5969 3574 4739 6646 8556 6519 2100 1007 945 9930 4581 7455 2822 3895 4-hydroxybenzoate 3079 4271 4855 1342 3782 2546 1007 1865 3056 2372 2225 2434 3434 1971 7229 3434 2695 4293 2183 1939 5099 5875 3497 4540 1582 1512 8248 5255 2336 2267 4858 2679 4609 4608 3553 4388 2348 1845 5329 4938 2053 6816 4858 5604 8127 8028 3024 2885 2546 2376 1783 8569 3552 1378 905 1111 2654 4258 2192 4612 2458 3-hydroxyphenylacetic acid 4042 2936 1520 337 1505 1840 1229 1232 2911 774 1667 1475 1563 1610 6570 2112 2270 724 1092 988 6986 10908 1730 1974 1678 716 4744 2064 1217 1866 909 486 2660 6289 1632 891 1270 2944 9953 4733 1257 4466 9271 6904 3531 5370 4642 1756 1587 1851 591 1267 13010 2977 949 1901 9111 24292 19091 10181 10054 3-hydroxy-3-methylglutaric acid 1401 2237 1681 3890 3653 2204 1983 1838 3067 2060 2545 1398 2409 1712 1337 3556 1241 2806 3035 1963 3657 2694 2336 2989 2000 1621 1931 1801 1327 1944 2780 1913 3735 4026 2706 1877 2882 3965 2857 1477 1097 2531 3336 20412 2270 1370 3071 1966 2022 1463 2334 3912 2222 2686 687 670 1929 1642 2735 7054 1932 3,4-dihydroxyhydrocinnamic acid NIST 9336 6318 7678 2341 1858 3465 2350 1395 2235 3267 1109 1508 2070 3580 7779 7390 9716 14729 1881 1019 2687 9654 4614 2404 2133 1927 1362 4734 3742 1507 12735 4597 6960 3258 20285 7653 4553 3486 1798 3099 6120 2097 1647 11768 5689 4200 2332 3426 1559 1564 21597 4476 1961 1527 1158 2665 6902 6388 4493 3004 11142 3-(3-hydroxyphenyl)-3-hydroxypropionic acid nist 1019 1621 3899 753 53794 13152 44025 20697 47296 39720 2473 12816 4390 8832 96598 45070 6154 26236 64743 70263 54715 136712 8614 12439 22004 36965 36677 41917 4162 7699 19665 4067 75665 39264 56848 39314 35299 35135 103092 126921 2038 33695 19196 132298 110933 47697 29984 109842 4679 27554 75764 41663 28897 6579 922 16244 20723 56699 40248 11782 71031 2-hydroxyglutaric acid 5734 10556 1457 6246 3532 3386 4156 4664 5134 5094 3266 3548 5294 4421 6033 4514 3656 4299 8287 7260 3639 1629 4225 3806 3119 3327 1951 3044 2325 2812 4965 3148 5391 4696 3783 10617 6412 5179 4291 1982 2073 2892 2894 1165 5623 3713 6125 6581 3385 3170 2465 5283 3751 3717 2769 2173 6957 5496 8412 7584 3595 2-deoxytetronic acid 22144 35463 36049 25382 14417 20183 20141 22862 18278 18627 25439 16650 18611 17981 19037 24029 17677 21502 17793 17158 14583 18155 7336 14740 20483 15425 18186 20041 19892 16109 21871 17793 13624 14651 20119 24143 16421 24293 22120 15795 15522 19935 54694 36039 20361 10904 26419 29136 17930 16746 79393 26704 18300 10615 8016 26042 16292 14740 15989 21614 16175 2,3-dihydroxybutanoic acid NIST 30173 30500 8482 26092 15562 16566 12096 11639 10474 16159 20739 16737 14029 8072 8905 6148 14233 11599 8843 6161 15597 15753 17434 7197 21192 10755 22053 11118 12503 17182 15567 15791 7601 6339 14637 11369 10172 18625 20306 9256 7821 9736 6869 10770 19514 2715 18958 9048 13891 13120 7669 10024 6888 11657 4041 4679 4768 9671 7551 6435 8217 1,2-anhydro-myo-inositol NIST 5321 7381 5923 2738 5324 5204 7203 7525 6744 6112 5081 5480 9338 8639 1419 7556 8200 8399 6366 5325 8641 9657 6637 6291 7978 7210 5835 6503 8155 7658 5055 7054 8864 8600 7945 6224 6025 11062 7197 10748 5965 8265 5509 9545 5494 6337 7279 7200 6764 8192 6278 9757 8092 5317 15138 15164 4796 6353 8496 8712 6269 UNK_353342 228020 295311 395815 158917 322861 239624 308391 84369 188102 122906 279233 234538 446458 312125 362418 67944 196513 274706 242343 218128 448495 392189 474032 407925 461397 131244 464659 360288 239661 206057 197684 184393 70194 258291 241859 255082 150602 165731 381370 340347 347026 276598 89393 269918 411343 145789 164069 78365 157033 392811 210989 260213 404065 123645 33976 119490 118927 154666 260501 131787 336310 UNK_351222 10973 17892 11238 7888 14264 12123 14484 10078 10883 11279 7964 11068 18828 11973 12219 7640 14042 8138 7521 5484 13293 11678 15658 13879 14801 9398 20481 12631 7545 7671 8907 8341 7068 11570 13589 9586 6956 14542 13050 10994 15043 8039 9700 23716 23131 14322 10624 5048 10376 10926 12954 10303 11781 8434 2101 3267 9424 9101 8568 11836 8336 UNK_351061 475885 737620 360403 526914 663114 611361 419891 423593 729648 480251 531969 351461 801331 679668 522185 435082 787909 751390 724072 297463 984989 422423 597221 974467 486014 361400 704900 617163 599303 495852 662693 502221 388808 574073 760870 848291 615033 654099 985188 349903 653509 670630 365513 441032 640489 252860 532433 613021 659256 514985 705127 827513 587663 572996 154844 143544 702891 629180 365067 583260 656849 UNK_349001 12701 12507 9433 12829 11631 8162 19495 9352 14652 8747 8136 8000 27097 16834 55928 7918 16209 13494 14071 12171 27866 20740 14609 10685 17534 8577 9310 7919 10064 10834 10147 22892 18741 15021 16849 32215 10190 14785 25836 14193 11627 7346 5909 21469 43956 5047 52717 13049 8424 15472 10992 17466 12306 5935 2088 1839 3877 16894 11602 11208 3137 UNK_348985 3681 11008 3752 10391 13141 11689 11240 1852 12563 10747 1175 7035 14796 2540 9329 7530 14418 13012 22482 11554 17795 13455 10337 12184 4445 7593 9341 10754 8140 9885 9513 13773 10781 10165 15273 16899 13131 9292 5221 10092 12743 9756 6109 10699 29075 2923 15035 11360 10813 14498 1278 1970 10132 9776 1957 1017 13357 13665 7434 13368 10352 UNK_348982 1188 786 2402 1270 1626 1463 1876 534 846 1554 11452 18273 2302 1708 311 1185 48741 1185 4556 1099 2234 5935 2743 9638 920 4675 2318 1354 522 976 1883 1262 2113 2904 2345 1048 10608 2165 1195 5535 1073 1229 223 3697 2198 852 2888 1766 852 2049 1770 4917 3315 1538 228 3197 896 1227 873 1414 1519 UNK_348764 3219 1204 1564 1672 1555 3871 6765 2195 2538 856 1111 1496 9502 6162 11197 720 4513 2207 2056 4306 9029 3644 1626 3020 2557 1355 1743 4066 1152 2302 1450 9241 2275 1983 1924 25928 2066 1581 9063 3824 1188 1322 232 5878 9707 656 7861 3303 1159 1004 2527 10371 2657 764 3883 799 6789 4996 2954 3220 2713 UNK_346561 5663 12261 5937 974 15475 831 139 839 1195 651 521 108 6824 17240 126 672 1631 29365 672 908 12313 1412 7213 1101 9747 424 591 703 19705 15126 12593 23149 7383 17019 375 10080 13114 13740 18341 13444 10004 715 1752 557 9534 1735 1267 7909 829 1358 7073 13961 12063 1088 258 181 515 16650 13602 15620 880 UNK_344793 24424 121848 29926 18335 7225 6407 7735 10430 10172 50090 17596 14325 11243 15901 77418 25609 13617 18674 13779 12748 5591 15226 12743 14744 10897 10117 11828 8580 22355 14263 37838 6996 8934 19200 12984 9899 15830 16524 5183 19366 11911 25373 30804 11054 2947 51326 6259 20924 23842 6487 12448 8674 20994 30249 16477 3916 5958 11780 21287 27872 15296 UNK_344756 1038 2444 857 3707 1845 1783 1199 1036 1728 957 1158 1524 3564 1274 4134 1651 1885 3527 1102 587 3585 5409 1668 1829 1305 1025 1355 1146 1254 1680 2020 749 710 6922 1868 1846 2637 1625 2404 1767 1629 3988 1206 2383 1625 662 1179 934 1885 2002 927 3174 928 1001 497 1017 1933 3244 1010 2676 1736 UNK_342712 59119 18734 92425 71929 32597 28125 25125 63917 47762 161963 91633 86735 73964 51367 6219 97027 4281 37738 40063 57331 34407 91032 60193 40136 39860 37673 61273 34299 100104 63872 148244 43542 60805 98726 54674 83359 54062 63700 39583 83625 40538 105680 121149 55476 22754 111537 34670 75553 159028 87902 63667 31051 76567 88914 28631 40780 66587 91439 80621 103448 83638 UNK_342038 272981 164333 174457 339186 145799 153008 268385 416898 174024 215542 248551 200828 205069 207113 287318 159574 81467 125917 286808 141861 314768 228900 135044 133044 197552 190423 86769 198225 308900 311102 193488 280307 165192 283997 102943 308647 263415 249124 367464 264235 195591 169343 111339 74764 175929 50687 177382 139762 224602 196404 346633 227304 192614 355775 47615 51583 186380 126733 173670 202957 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31744 11513 53654 6972 42977 51272 54920 1467 235336 51834 1570 157136 23682 9799 129520 33418 2325 177715 11524 22448 22527 44207 24848 12389 84618 388887 16135 811343 2645 18930 16081 49919 20812 UNK_163872 624 3054 1007 369 1968 1038 1661 1246 1106 1821 852 1311 160 1179 25502 46371 1435 1186 999 494 1186 1839 21712 1233 759 1801 2222 1169 1197 1184 2156 1053 61334 29297 670 974 1102 1721 2028 28302 1711 1206 7328 945 1404 394 31875 42180 807 1770 225 902 899 4992 1302 1719 582 971 1563 2367 971 UNK_146226 410 663 1192 662 1000 304 1949 976 2356 1796 740 1280 1940 1699 414 1336 494 863 879 814 1493 1230 417 644 468 811 2184 997 1539 1016 1504 2206 759 1788 667 1110 1099 1428 601 2360 1163 1963 1873 2041 705 825 1307 1201 853 500 1436 1494 1343 1880 966 1212 1291 2096 1365 1737 848 UNK_131948 9498 1151 7286 25231 127279 69638 138576 7638 65999 276986 97315 98819 26710 4124 5793 81171 1834 57713 44599 10273 11736 122163 5480 9252 73532 8304 16180 5146 62411 10653 26370 1666 8175 10556 5315 6013 7443 4010 1197 70492 142915 6883 7103 4482 7305 13544 77668 7719 3968 17807 6962 10602 8364 90368 3289 2947 18810 4849 6123 73058 46060 UNK_131583 2851 1972 2543 3682 4449 2296 6676 1175 9938 868 1684 2664 6400 3858 578 3243 3957 2926 4031 4101 5454 2304 1690 3846 2195 2688 3747 6314 1689 1815 1311 3094 1754 1987 3288 1778 3118 3309 3817 6589 3113 1441 767 5346 591 421 1901 2149 3535 2801 2574 3130 4291 723 224 368 13381 5070 5281 6220 3715 UNK_131144 15057 3436 5000 4322 9757 2207 3172 2989 2368 906 21273 6196 29674 7646 3886 5352 2780 3653 1303 4571 10052 49398 12652 2964 1515 1607 2149 2728 2153 13334 2016 17481 3677 15299 6999 32937 2596 3195 15233 7018 2673 1203 1485 5005 10371 2064 15778 7829 12117 9362 2019 7445 10398 1603 755 1696 16255 31420 8170 10624 36981 UNK_130712 8147 16671 9378 11451 4355 14747 9852 10284 14681 11189 10850 6619 6458 16873 10888 10393 21470 19711 12490 10045 12302 5132 14952 8910 14112 8821 11028 17105 15641 7783 11031 14206 8065 12879 19873 16698 6571 13699 16692 12281 4160 18234 4821 11054 20034 3708 16464 9759 15390 14657 10820 9192 7990 10289 4128 5489 14030 15149 12415 10662 16134 UNK_126350 14666 20711 54814 13025 17314 16682 14677 10654 15019 14066 13164 13486 83503 15583 8124 5607 13479 14365 13978 27051 69491 23660 16402 61295 16167 11014 70530 11128 14640 19531 14152 20752 12834 15411 17359 11668 13056 16038 15322 21613 17548 11361 10886 15016 23751 67270 11074 8793 16193 17990 13757 58317 17829 16528 2014 4780 15000 7979 13117 16233 10828 UNK_124615 3443 3092 3246 5373 7239 7650 5015 5469 5254 2638 4176 5260 6432 6483 13505 3509 8260 4490 4579 4808 6750 4703 9109 4146 3996 4112 4314 10739 3998 6981 3040 7648 4712 2738 4013 17301 4514 4341 8674 4027 3193 2334 3966 9079 5724 1645 6566 4310 4561 4935 3837 8715 3234 5827 3928 2501 5925 7201 9951 4815 5413 UNK_123989 2102 2274 1205 1657 2543 2309 989 1528 2052 1544 1555 877 1584 1289 2045 1510 2327 2151 2143 2900 3596 2467 788 1818 1491 859 1360 1253 1811 1501 1785 715 1242 1761 1499 2108 2296 2945 2321 3233 1839 2242 816 1965 1879 849 3697 2361 1582 639 1902 1955 2821 1633 650 661 2136 1674 1877 1698 2073 UNK_121383 18082 3313 7316 7011 11331 23570 40115 5435 24548 188 8650 7426 72619 31566 31035 1696 26981 6398 11533 27919 48650 20497 12763 24040 20095 5939 9962 34508 606 10741 1281 43187 8435 5152 11986 118784 8842 4859 45836 16235 10256 528 456 43883 32651 719 53775 20185 2365 6323 15935 58656 11198 584 9459 1561 35998 18463 12540 9425 11165 UNK_119054 5580 9498 6641 5420 6481 6474 19348 13741 38593 33645 13273 15013 28866 26145 7458 24184 8957 8484 28774 16212 27897 28422 6960 7855 22142 14008 26481 34550 15336 13133 22233 16196 30737 31019 10330 8660 19364 23808 27871 21773 15606 17564 18043 28206 19472 16768 22998 29300 7352 5578 21645 22444 37143 23112 8069 6330 30653 46194 30451 31482 19056 UNK_117982 15089 7903 13005 9769 18268 15440 7441 13946 12189 3048 7154 11907 23137 18725 22227 5032 23533 14726 5791 5421 32477 26290 17980 15567 1963 14414 14594 22026 2050 14110 3104 17868 8283 15084 10899 29977 5916 8366 2213 18897 17243 1916 2421 27852 22725 4100 17888 13848 1951 16962 10620 28293 19386 1755 11438 1780 1730 22178 5069 19334 11962 UNK_111822 14943 1389 3735 2422 6260 11187 38097 2899 12552 244 7627 3879 35617 15967 20081 1174 14698 3220 5646 13812 20212 20308 7162 17403 12637 1981 5567 15097 774 7767 461 17551 4943 3494 11128 65064 4503 3572 29535 8696 6205 724 1809 17320 11861 434 27550 12064 1303 3859 9968 41109 8475 1229 8029 415 30656 14256 8937 10814 12197 UNK_110018 1858 892 4579 1986 2004 1187 1257 1550 714 1376 750 1040 1812 1254 1759 2286 1307 1884 3258 2182 2601 1294 1413 1142 1077 1517 409 991 1698 1950 1839 2095 2396 1706 1021 1868 2161 2261 2193 1845 2414 1560 3928 1854 1909 487 1951 1866 1271 3340 4160 1773 1197 2111 399 1503 1615 877 1193 1342 562 UNK_109809 4744 7690 4564 4435 2110 1243 3433 583 19151 6161 2697 4500 7131 907 4606 2037 3129 1043 3394 1597 4919 629 908 1403 1431 2650 8506 14516 2517 1120 1822 2751 1774 6039 1828 2253 1009 3652 3827 3112 2134 1571 873 4839 1094 2499 4218 11340 1870 2216 4589 5507 7908 720 4611 7810 4763 1486 6915 4186 1221 UNK_109708 1324 3147 1991 2617 3456 505 1418 1160 1749 9047 1767 4601 9593 1887 486 865 662 1865 2573 7190 3226 15602 1488 1030 4922 2433 1008 1021 2850 3700 4602 741 739 9631 1242 1962 2839 3340 2272 4935 2214 1557 4461 1193 2213 652 474 2035 835 7766 747 738 4060 1109 424 189 1163 3594 3717 2732 2483 UNK_109464 7955 50140 11501 11473 7999 8098 16650 9175 8560 8954 6064 9078 15618 16190 23404 46532 12524 7930 7491 14117 10984 12184 9012 15553 18406 3871 5735 5327 16555 11338 7316 30322 13584 8981 22917 8328 11841 11018 14658 20558 17592 12415 30216 27988 10553 2906 18602 13297 9083 15480 11723 10945 20774 22983 4593 2134 14927 29737 33806 15257 20236 UNK_106904 5912 7746 4034 4205 4887 4931 8857 4658 4619 3439 4664 4366 4520 6249 5323 3367 3401 5359 7041 6082 7265 7196 6128 7442 10383 5780 4065 2812 5943 6669 5480 3372 3801 5911 6640 6033 6634 8833 5904 6773 4959 3244 4590 7162 6025 2863 5911 4194 4206 6137 3475 3608 6071 3729 3007 6101 4495 2612 5362 4628 6257 UNK_106899 3655 5448 5146 1656 3224 3079 2518 2843 2498 3639 4230 4170 4330 2706 1584 5001 4541 2976 4420 2941 2876 4674 4199 3586 2431 2135 2062 2427 4166 4508 7523 2678 3065 4620 4421 2465 3731 3419 3141 4286 2594 3766 2603 3487 1659 4434 3987 39775 4331 2470 2972 4024 3678 3471 833 1230 3729 2845 3248 3849 2938 UNK_106887 914 2857 1899 3786 2601 1332 7763 3010 5101 793 818 1649 5580 2695 143 1182 4403 3903 2629 2829 2867 659 2251 2769 1577 2054 2456 3988 1859 2593 1377 3656 1225 1626 1871 3149 2467 3215 3232 2778 2227 997 1614 6363 976 398 1663 2623 4201 4093 2133 2588 2922 980 1378 1052 9878 4516 4524 2895 2260 UNK_106475 6600 3766 3155 4296 4170 10388 7263 5451 7063 3572 3849 3196 10121 12047 50441 1919 14395 4132 5821 3539 15722 5408 6051 7194 3616 1948 4718 6149 3290 5615 2173 12666 3944 3907 3349 38455 3780 5834 22465 3362 5882 2035 2228 5627 43167 1512 27152 2650 2635 1959 7312 10635 3368 3436 998 819 6651 4174 3161 3731 4129 UNK_104901 26486 45654 117548 37533 29587 6211 6380 9068 6691 13144 6598 9444 6013 7990 1009 19810 8070 16316 5546 3775 20456 15630 11434 9985 7047 6722 6590 5317 15030 6760 12324 3047 19846 37220 34840 3372 4351 7842 1226 25031 8536 32102 7026 8332 791 10962 2008 10536 24209 8048 10674 5121 6495 4078 6988 7176 13015 16688 207912 159474 147668 UNK_103149 2805 3153 4356 2789 7555 1591 1506 1289 1819 26998 915 815 8752 1257 11411 695 2688 1565 1650 516 4958 29274 1660 3806 2935 969 915 2463 8502 2113 35823 664 6902 9196 2544 16806 1693 2459 857 3034 375 870 9647 4671 3757 905 8573 1848 2027 1893 6537 1573 1197 1247 751 665 1678 18085 10236 963 4901 UNK_103137 5176 2834 4608 2809 1390 7241 13108 979 3655 562 277 1011 29341 8126 1188343 903 10346 1640 2435 6508 35197 5915 1908 7880 5330 699 3497 8500 1683 3173 887 19122 3477 2422 1371 374690 3815 2823 28669 2254 1799 1538 1512 11989 128028 813 58709 3742 1003 1277 5219 62625 3069 2114 3285 5949 6547 3534 2359 1432 2072 UNK_94922 12566 12426 10872 11074 17425 21268 20369 27383 31671 42807 23953 11427 33925 14477 327347 18472 26808 12276 13315 11671 37439 24880 13566 13548 15075 11366 7140 14765 31629 12347 15141 28133 13782 12618 10275 73965 17047 14852 39132 20034 9533 7650 5340 28107 134818 6967 36281 8417 21109 10320 14249 38114 13827 3023 2737 3269 11016 28216 37501 15421 14222 UNK_94799 8525 2668 2505 2809 5753 2186 1706 1961 1404 788 10557 2604 16022 4014 830 2247 1886 1754 1629 2798 4787 30125 5381 1628 1072 1286 997 1259 1115 7360 707 8973 978 6617 3230 22730 1465 1638 7888 2884 2109 816 596 3454 5216 740 7593 3532 5687 4340 769 4002 5930 1011 473 917 7524 17031 3581 4501 20386 UNK_84214 4008 1604 681 1191 3334 7552 2370 2611 4409 736 2529 4944 19007 4561 211110 368 23193 971 6266 3023 27940 5131 1443 5900 2752 2667 5291 34786 1075 1253 1339 8436 2968 1187 2670 101986 5444 1832 5462 2731 3538 0 1422 19242 13859 203 17705 4014 625 1500 7800 30160 3806 865 14762 19630 1790 2242 3582 1653 3120 UNK_62263 7201 9388 3407 3285 13611 13813 26405 3774 15911 5651 10687 5324 7882 11635 7623 7351 9281 8785 9208 6114 8159 9690 8410 5256 8200 1236 20811 8792 7732 6068 6404 8529 2302 5436 15690 3857 4389 7779 11211 7273 27688 3389 3352 6197 6283 8240 14786 2896 10174 5018 9475 5240 4318 13310 252 423 8062 4082 3814 7303 6734 UNK_47207 523627 863924 540087 185824 1369 2508 909 553 1520 1076 602 1039 1780 1516 2089 782 4473 557267 1645 519 2681 790 1939 898 586 2749 1136 652 1604 1489 1894 215093 360 572 1716 1351 1378 8653 699 1574 1505 882 829 2665 2121 1568 788 483 3180 1284 1342 9839 541 641 10192 28921 4011 1698 1449 1378 1077 UNK_41989 1857 1712 1734 2939 1744 3962 4378 1065 2520 1828 2665 1742 4890 3403 6280 2262 3528 2207 2092 2199 3704 3399 2933 1390 1866 2185 2769 4990 3825 2512 3885 2327 2203 2487 2314 8366 2494 3368 4911 2462 1187 1967 2657 3982 3411 852 4079 3073 2855 2135 2704 3558 1676 1172 1336 1348 3517 3815 3794 3360 5137 UNK_34172 835 1019 1775 1864 1265 2759 3256 7355 1436 1445 735 4694 3625 4491 16336 8210 0 3239 2738 1502 7480 4548 2017 2911 3413 2952 508 2283 1364 1763 2555 988 18055 7934 3236 3528 1241 3743 3946 5669 1354 1534 4031 12062 8137 5001 10007 4968 1405 3535 5433 1361 6562 983 3811 773 3843 5301 12711 12725 1596 UNK_34152 2048 1248 1801 768 1326 1293 1375 432 1662 1208 1614 985 3276 1543 933 880 1006 888 1212 941 2445 1711 2013 1290 1263 670 1106 1233 1471 1355 4158 1625 721 2396 874 12051 1145 1545 2709 1543 1940 1661 1414 1278 2344 3194 2039 723 1793 2592 661 4089 1104 1510 505 2878 726 1847 1871 1814 1228 UNK_34149 27021 76159 33159 17448 6996 4734 1860 5219 8968 16940 27044 1177 3121 47706 2051 3093 5591 1451 4589 4968 9425 3046 2141 2240 3471 4203 4511 6066 3791 1878 6631 3672 8232 28285 1241 1165 5991 5998 5935 7004 8216 9120 969 12986 4643 3406 2983 2686 1880 3158 15125 53229 447 1638 1061 219 3502 4443 159617 4109 6636 UNK_34144 2192 5009 1873 8059 5417 1120 5328 3836 6183 8440 4255 6321 5418 2088 7290 3485 6241 8091 1641 1411 5862 3485 6735 2676 3925 5556 9813 8459 3827 4538 1671 3312 1600 4799 7832 9358 2821 1156 6162 1741 9262 13500 2804 6460 2511 7994 15263 6442 2728 2693 10199 7073 9849 2805 3170 1468 15596 3632 4721 24044 4643 UNK_34108 6586 8570 4765 4440 10912 9330 12728 7093 17531 15751 4432 3452 15762 13639 21138 10017 9779 7472 2591 2505 14050 8145 11686 13972 15337 7976 12384 12652 9188 9139 13415 11189 7590 18357 4522 10761 1929 4504 15347 10177 10716 10363 8323 15694 12673 10229 14835 12769 9878 8890 7966 11033 13671 10681 2142 1037 8313 7984 8351 9586 10181 UNK_34103 10279 5296 8390 31677 5361 6509 6979 10419 6629 12807 16203 19521 38785 35182 6326 17427 4716 3921 10714 6040 3573 10408 12389 18112 11779 10010 5291 1543 47325 15379 7241 22438 9801 9431 4784 9795 11512 18857 4538 34012 35864 31608 78004 22204 16328 5070 10765 28589 24237 8416 17629 10024 11930 5591 27100 23285 14103 10132 12424 26409 7059 UNK_34089 2315 6849 2977 3154 1716 3389 1864 3113 3901 10294 4754 3237 2923 2747 37222 6160 5813 13944 21763 15380 5130 8422 6551 13401 4993 2136 3734 3219 8427 2704 10551 2652 4437 5002 2642 10682 52725 37110 5312 43098 3794 8351 11364 6269 8228 6043 22161 7214 11502 5718 3257 22037 57022 6053 4915 12133 8887 5162 38360 8548 5834 UNK_34085 24233 761 20329 10814 40880 11278 4150 2543 3452 15225 12875 25179 28763 10667 86520 5990 2663 7575 6728 6883 30779 13719 15502 9771 8639 7446 8891 3341 17810 29620 20633 12713 6598 10947 5109 32897 8865 7982 7920 12092 17164 9797 10368 6540 17399 19117 3721 5080 5514 8739 11831 5947 17030 8715 8267 6050 3339 6035 4474 5692 15563 UNK_34080 11724 2188 964 837 2157 900 551 10501 69225 37187 528 14030 3929 2294 12073 1626 3683 455 1868 1210 23422 16656 4385 11612 807 1163 10297 7174 2573 16949 19802 1029 5071 760 2585 910 2296 3926 14756 1733 2724 6383 136658 9376 21955 2977 12748 80189 14467 3362 3818 981 3315 15972 47849 332 1156 1445 743 1199 1909 UNK_34022 2367 6138 4520 5747 6007 3875 22208 5847 14442 546 2347 5580 10311 8886 376 6709 10799 6018 8402 7275 7571 2744 5827 7481 3250 6354 5839 11992 4654 3142 1278 7645 3100 4205 5714 3043 6720 7095 7658 7773 5924 300 5285 16417 1416 964 2712 4573 9770 6485 5623 4677 8188 759 2722 2019 29484 10648 16534 8944 5693 UNK_34013 11259 14132 14991 3698 27177 14829 5179 781 2418 10386 10318 12866 16079 5735 2121 3409 3143 4604 7156 6964 14144 24090 14335 12448 8646 7528 4677 1636 11483 21037 7350 6925 8137 14549 3845 4755 13091 8433 3798 9114 11343 1888 11687 7142 18194 14538 4347 2802 3699 7269 1723 11419 11597 2357 2318 3936 3999 11436 6267 8835 6576 UNK_33999 5715 6618 4290 6821 4660 5248 8304 7728 7167 7404 5275 4241 4615 4936 11072 4275 8532 9209 6612 5334 6717 4749 4941 3642 7919 10145 5533 7851 6389 5763 6562 6413 6053 7029 8334 9392 4577 8614 12448 9682 4658 2239 7031 9834 7440 933 13349 7136 5655 5514 5433 8023 6884 5377 1802 2143 8682 6297 7095 8278 6334 UNK_33997 5657 3645 3775 6748 4725 6423 7374 612 22218 7039 7220 835 1924 6340 7777 7540 9834 7566 8975 9906 5177 985 1535 4174 3808 5636 17811 21360 5376 1917 6224 6265 8082 1748 7418 7241 3339 5975 8665 9295 6084 16966 3427 6641 2072 1183 11934 10605 8210 6580 5638 6243 5396 5517 2397 2269 9309 5859 5321 7788 11923 UNK_33993 25409 13668 42848 9196 7031 6101 10872 30704 8675 10246 91814 32704 14027 8556 12633 65849 7469 8432 31940 31935 8754 14787 12002 6994 8844 15280 6220 6240 7330 6898 227862 7017 26064 14675 12863 6474 9843 22491 14601 11213 8436 11111 13259 27686 5858 4902 36742 19305 12565 15431 22224 15831 15852 12874 9474 20534 16094 13272 75047 38353 8193 UNK_33462 5752 905 382 584 1424 1187 486 540 1015 975 1031 1382 994 9754 388 1221 7756 672 1114 848 1317 24049 646 812 889 1132 1922 847 1078 1394 2223 335 1487 868 1120 1230 752 1185 1017 3405 1227 631 1278 799 737 330 1043 957 353 861 5390 6095 536 601 232 630 977 13001 7622 1508 1141 UNK_33386 2016 7472 2761 3662 3180 7427 5281 6921 2539 3306 4421 1659 5444 3080 4356 7710 3865 6092 7811 2920 7203 6261 6976 8717 5451 7874 1454 1770 13258 3739 4827 3062 17396 4627 2118 5955 3915 60022 4916 3436 1564 4160 6696 17643 9059 3071 12054 2009691 8883 9722 1437 4663 4486 1854 919 654 5377 5446 3906 11606 6255 UNK_33282 136546 128652 102820 127355 81233 97350 140882 178023 112144 118787 86456 100749 144940 165993 40846 184598 86629 121592 124597 70026 97700 200580 161021 179968 176473 139803 97365 114374 303889 132773 130134 93406 124994 137756 113565 58710 95844 134565 88775 154939 180986 216745 182715 241537 57710 77951 190014 293643 158772 187088 115209 198183 166690 119634 66090 40216 206706 552619 146973 177600 103301 UNK_33142 120359 113271 119112 144743 72321 86959 125723 158764 98599 134427 97886 116087 130078 146224 40846 210256 78169 139306 111843 78902 97700 178619 144392 160379 199834 122813 87629 101027 354199 114929 146907 84134 143742 120810 127140 62773 84557 119775 121142 176976 206130 249193 206713 272902 53250 69678 170225 334732 181727 215454 102071 226744 190137 135500 72890 41143 183669 637986 165666 157437 103301 UNK_33006 1951 4356 2386 1417 3335 8888 3079 3199 1150 1807 3342 1933 3601 6575 4125 1730 2057 4993 5292 1028 3384 7362 2455 1283 2557 5498 1502 900 1889 1699 5635 3189 4438 3081 3363 4345 1297 3749 6404 1751 3055 5158 4558 2386 34464 377 2742 2122 2060 2561 3673 1901 4755 2710 543 575 1768 2201 24447 3107 7093 UNK_32528 2634 3536 8113 6664 4878 10081 7592 21174 4316 6065 2226 19276 15073 10375 56138 25413 4305 14424 8587 6547 37443 16485 6576 9165 15496 10428 2388 6354 8775 5832 11459 3125 53160 33420 10194 14120 6262 10340 10361 28561 4155 6597 13303 39029 29589 9576 35174 14973 4389 14395 20694 4723 21086 5612 5587 16388 12298 22346 38897 53198 3847 UNK_32247 12470 20897 10083 7888 12941 14070 16538 11964 12586 10050 9018 12961 16610 14060 14552 8509 16341 8138 8527 5484 11870 10595 18031 12554 17072 8145 23770 15031 8740 8863 10089 8341 8090 10212 15844 8194 6404 16893 14756 9896 13256 6938 8606 27575 26725 12810 12435 5048 11768 9567 15277 8851 10709 9460 1918 2891 10446 8068 9604 10776 7486 UNK_32146 2496 4867 2820 13911 1918 1355 2855 2338 2658 2763 1183 1343 3377 2112 1303 2065 3292 1776 3548 3388 3618 2660 1864 1597 3388 2245 2522 2498 2774 1998 3551 2450 3581 2503 2706 2345 5106 3791 3503 3236 1522 1472 2067 2611 2141 2510 2897 1499 1664 1864 2681 2387 2880 1418 807 345 1036 1161 2052 3339 3400 UNK_31961 2823 7503 4968 5418 1979 923 2858 2751 3898 5963 1705 3089 3869 2322 325 4616 1181 1668 4897 1663 2822 4242 2250 4475 5196 2081 1581 2824 3498 2465 3133 860 2502 2775 3999 1010 5087 1101 3092 4358 4012 3232 8808 16621 2375 356 12121 30062 17414 2520 3243 12530 2938 1985 2105 1740 6607 4213 3582 4634 2502 UNK_31764 8852 8536 7272 8611 3980 6666 8089 11212 6923 7135 6343 7344 9670 12775 945 13138 5347 9247 8147 4609 7868 12060 9441 11806 13510 8531 5145 6574 24251 8995 6899 6337 8543 8516 7005 3978 4372 7657 7364 10993 13384 16193 10774 15985 3947 3363 10328 21469 11975 13714 7368 14664 10629 8264 6447 3437 13973 46116 8072 10864 6812 UNK_31695 2371 5992 1507 2715 3724 1297 3118 2705 4550 6627 4868 4478 4056 4482 708 2464 2611 3783 3640 3033 3210 3038 3072 3476 2910 3053 2973 3254 5284 3581 5370 2176 2545 4119 3216 838 3040 4380 3545 5510 3804 4716 4744 3857 1183 6665 2238 3211 1990 2272 3514 1461 4225 3901 1647 1220 3583 2601 6558 6132 5151 UNK_31688 6381 467 8814 4245 13102 5348 3847 994 2197 6363 4633 9449 15045 4397 906 3512 1853 5526 3298 2654 6586 7454 5508 5822 4390 3904 2889 1083 5907 11840 5447 5690 5444 9693 2083 8768 4125 3501 1237 5924 8866 1328 7267 6526 7348 10180 2253 2249 1733 4286 5533 3803 10804 3112 1024 1557 518 4681 3989 4102 4221 UNK_31664 5762 7680 3131 6478 6489 9040 7112 9354 9326 13905 7267 9599 19760 23207 3329 8844 5575 12171 8479 5553 10286 20366 17048 16555 12039 5662 9755 11583 22469 12190 12641 10362 6653 15818 8309 8351 7238 10394 13571 13055 17829 27843 16623 25007 4248 7349 26488 37702 15193 13863 6691 18373 11068 7115 6226 3204 21985 86976 28306 25963 15837 UNK_31659 4062 7803 5063 7861 8113 12915 58939 16526 11595 9037 16869 8148 12007 5424 6430 5571 7298 5163 6309 12973 11613 13830 9950 11163 31488 6214 14798 6348 4030 8071 7209 5754 4097 5731 8755 5119 4887 14486 14192 10773 4395 10115 11208 23314 9980 8137 7070 8835 5555 6588 7781 12752 13964 14164 1389 3949 11855 21453 13271 17925 8885 UNK_31626 6110 6413 6045 6120 8122 6986 8180 5024 7535 8887 5602 6014 11156 8545 7967 5733 8769 7610 8815 9311 10928 8381 8263 7688 8745 5101 7968 6950 7362 7201 7635 7834 5387 7666 7902 12082 8339 9092 12326 9258 6941 6170 8102 11540 8661 7898 7312 7402 8908 7344 6918 8643 11016 4835 2223 6111 6464 7537 7578 9216 7457 UNK_31581 103481 126455 174092 61548 49108 22688 34006 12834 97753 39814 32114 47603 25857 27371 88840 49874 19576 34813 37623 29502 48047 65169 62381 128459 44722 22495 71462 42295 32055 50353 46338 16513 62346 53464 16342 54480 71715 32856 51825 68799 19684 97975 65814 58576 125497 60934 41341 20828 13320 31395 66541 53145 68377 46264 30685 28919 64104 68992 65809 71366 69189 UNK_31577 32179 19415 60123 21628 12330 4979 11183 1099 33981 9684 12570 8634 11484 4999 14485 14236 3077 13905 7521 11711 18579 37937 9996 34943 16476 2991 22543 12513 8677 12890 10379 2289 11936 20593 2612 11555 18488 4493 3364 15130 3642 32667 7796 12790 15992 28133 15184 3919 1372 6135 22580 8606 19838 10389 1806 3848 15128 8432 12734 16795 30954 UNK_31572 1868 4744 2394 7896 849 1911 3100 3400 5462 4085 1462 1184 1706 2156 3912 1808 1665 2345 2516 1192 1622 3355 2094 2304 3268 1727 6352 4818 1731 2057 4608 1800 3257 6185 14626 2248 1538 1950 2152 2341 4174 1759 3135 4756 1314 2890 3361 854 1457 4947 3453 4652 3167 1158 784 776 9332 3564 4559 9492 6728 UNK_31564 6400 2168 4692 704 18248 3456 18321 2870 13113 15062 1017 3918 1824 3567 28151 5974 2964 8090 12470 11756 29269 73092 2993 2902 7902 10539 21077 18110 1430 4097 6209 1832 8665 13116 17325 13535 4960 5732 36557 59027 1863 7265 12586 44909 36674 18034 9178 21072 2340 9262 26613 18513 8199 1881 622 8934 8972 26394 18716 3560 26279 UNK_31563 7280 11819 8686 7315 8926 7967 9544 6926 11272 11374 6304 8493 13207 12283 2465 5783 8074 9784 11165 9330 12659 11183 9143 10635 10569 6593 10119 9175 8308 9244 9900 10437 5644 9089 9747 9028 7981 10621 10686 12256 10564 9986 7663 10409 6215 8167 8139 8319 10513 8843 7777 6556 10450 5557 1875 1755 7739 9124 9265 11467 8964 UNK_31559 5004 21883 4392 1635 2890 20629 6398 9788 13001 7777 50655 28553 2039 14891 55844 11256 38450 19903 59911 1866 32071 12783 99549 2791 2562 2457 2484 213068 2113 3198 4858 10010 218207 74063 32123 27480 27162 44105 7127 2732 4821 8448 136299 41202 490275 5222 4254 38256 2865 7798 27474 35095 5624 3228 1563 1256 335935 47821 49316 26421 42134 UNK_31557 2086 8062 3656 2084 4913 7711 2098 1367 6966 4684 2309 1199 5979 4920 3747 2698 3772 6001 2466 1264 5993 5127 3513 6521 4025 1139 3792 4007 1811 3900 1775 4124 2241 4271 4068 5903 1587 2095 8188 6568 885 5194 359 1719 1345 2805 3987 1589 2729 1738 2235 2585 3131 3606 1110 1861 1210 299 5345 2213 3555 UNK_31549 2244 7445 3726 19939 9032 1332 5424 930 3707 4280 4444 7733 22860 1211 26458 5094 14451 26089 3051 1275 19008 3066 9862 6112 3106 7037 12279 12805 6889 9540 2183 3113 6461 13814 11432 31733 3832 731 7336 2977 17296 37585 5167 28810 2346 26837 31355 15142 2587 1959 36050 16435 22993 3095 8468 3787 41011 11561 11509 62780 9434 UNK_31263 25541 5529 58544 17421 19510 25635 38732 21083 19673 3640 11421 14418 45285 24350 32092 9148 30695 17736 48445 45726 41912 25616 15012 24994 17703 22394 18917 22096 7398 21462 5076 36936 22836 20420 32891 41849 25522 26091 33278 25458 19628 4838 18477 41196 159458 4248 62835 24352 10066 52343 18602 28368 31246 2349 2744 11567 26131 26790 24372 26875 21877 UNK_31222 18083 2029 10722 6480 4898 30105 16449 17024 12020 13046 17809 23959 38514 12551 60848 176978 86637 3320 370610 560710 50039 14836 100626 26546 21260 10114 2063 6233 4210 26403 75329 17139 440180 30626 28912 2189 452945 1060783 10869 47835 35009 10124 56576 20337 6662 6688 97577 74407 48550 8059 5217 15119 27819 17770 16470 231792 155630 9492 41175 29911 311876 UNK_23082 42654 66422 44160 16465 7000 8028 2951 1484 3138 6587 6109 5536 6130 4404 21311 11914 93386 46195 7220 5844 6553 7897 10475 10078 3692 4759 1617 1754 6079 6756 6034 19068 6323 3929 5006 10665 12272 4684 1456 8324 5407 4475 5772 8354 44242 3395 17289 2128 1991 2564 2223 15102 4304 3931 31728 265349 763 4596 4473 3127 2499 UNK_22735 2259 3966 2555 5018 4591 2990 5546 2213 5317 4262 3232 2936 6145 6831 6899 3954 4102 7160 4725 1553 5337 938 5391 1380 3078 6482 1449 4891 3878 4403 4411 4459 3336 7006 1916 6282 4408 3520 1749 3072 3812 4803 3304 3130 26505 1850 5790 1963 22051 5851 2974 4499 3628 2116 855 9388 3579 5253 5575 3713 8636 UNK_19901 27705 5760 14185 14497 27366 35917 12243 34289 37415 3393 10672 23889 54161 48229 8234 21059 66572 16845 60242 37929 73210 15130 18215 39077 26372 39667 47345 86925 5372 4929 7130 58294 25659 16251 23883 33718 52107 30251 26813 57083 56143 5477 15745 60641 5101 2160 16387 32614 4237 14982 53701 35221 49995 4845 70224 45926 35623 39526 65357 43896 33762 UNK_18242 4566 8416 893 4564 2893 5371 8196 3011 4505 5148 2507 2792 9574 3595 8724 4197 5122 2201 4863 2299 2908 3468 2996 6293 5230 4251 8384 11735 3235 4378 6990 3989 6351 1946 4440 2757 1800 7033 6645 2422 994 3471 4812 13477 2074 4667 4890 4918 2949 5789 7064 7502 3077 4767 1490 1872 11837 8208 3001 4494 2212 UNK_18173 1077 1743 1005 3062 1713 4697 728 1453 3664 4557 1842 1064 1135 4178 5756 87481 9180 4941 1030 1033 3503 1388 51809 4263 1589 940 2343 502 1367 998 4457 1008 99406 24091 4626 1044 3337 1193 2976 42128 1766 2613 29977 7630 560 9752 78957 33945 10709 1709 4120 1413 3179 7254 4153 1360 9054 1683 2949 5451 3549 UNK_16809 2667 8737 4655 4228 1847 1981 2098 3312 5054 7350 3835 4029 3181 4059 22532 4340 2454 3817 7917 5523 1780 3020 3357 4387 3452 3811 3367 3719 5517 3830 7713 2147 2002 3859 3364 876 3243 5244 1768 5350 4779 7486 4543 4240 1171 5688 1222 2484 7205 3044 4476 5791 4546 4325 4678 10183 4628 3833 4968 7200 3772 UNK_16747 2399 760 3030 3379 2629 1751 2745 3370 2170 5822 3054 2976 863 855 397 3358 2199 4144 2189 2233 464 659 4056 1331 2859 2872 2080 2038 6838 4703 5329 1832 1727 2685 3516 1187 2714 3266 1430 2662 2267 2672 9089 3334 1217 3425 1560 1878 8866 4556 2462 1235 3152 3826 2161 2874 5703 4576 3657 3179 2659 UNK_14736 850 11006 1257 2093 1350 1018 1517 1039 2313 1021 1595 1024 2414 696 63274 14315 1700 2500 1014 1182 3081 8520 4115 1370 731 834 885 4973 1176 682 2410 1356 3485 4126 3160 17037 942 2230 6087 2029 1613 4109 3423 2023 1976 9416 3048 2373 881 1641 3158 2543 2594 1640 4521 4485 2415 2211 3518 3048 1918 UNK_12444 8697 9144 10919 9704 7988 6334 7811 9263 6492 7822 12734 13443 9555 7060 3619 13344 6625 7726 9688 10814 8617 14113 11400 11006 7962 8535 10037 6274 9301 8958 36918 7641 10900 10986 12375 5885 7565 10200 9153 11615 8794 8347 18163 16730 7444 8224 12990 12657 7213 8353 19521 9615 11508 8399 4891 5817 10011 11913 17824 24499 10374 UNK_12387 1977 3472 1573 3088 3761 3069 5389 3080 3998 3063 1944 2736 4367 4043 3152 1133 2031 3395 2142 5329 4410 2453 5298 4138 2239 3116 6262 2389 3447 4008 3856 3133 1316 3001 1765 5205 4978 2141 3819 2310 6562 4728 3396 4538 3288 2351 3496 3868 3165 2609 5910 2730 2962 2334 1264 1605 5372 3527 3122 2822 2497 UNK_12330 13418 6103 14063 28627 176955 26318 98846 796 34886 293945 96557 104729 53007 5438 1217 90759 2340 24560 42970 8896 24531 204425 5475 8804 54035 12274 13239 4389 40056 7588 19455 5564 4705 15203 2125 7113 16227 7979 13639 69203 122884 7674 12248 1453 16839 815 32287 1754 4801 15900 11892 12500 13674 63484 2525 4203 22296 11349 5149 100218 92421 UNK_12296 7369 7789 3661 2515 4390 3084 2780 1935 2614 2670 4864 11036 3528 2374 2802 2563 3401 4183 3980 1567 4404 3120 2218 3339 3015 3351 7393 2851 5611 8438 2324 2818 748 2073 5861 3270 3157 4738 2314 1705 5233 2071 2388 3174 7052 4522 2611 2142 2785 6829 2991 4664 4951 2224 538 754 2278 2720 1550 3000 1857 UNK_11353 7128 12679 9134 6765 8425 7223 11204 8130 11343 12092 7254 7327 10525 10835 413 8726 7492 9148 8839 5313 8235 6568 8876 11214 9042 8240 12137 9959 11542 8916 10789 6397 6446 12463 11138 2514 7569 9882 0 9720 9385 8443 11247 12259 1986 10646 4677 8618 11114 8983 8424 5587 10448 6300 5841 6375 4765 5430 10046 14268 9338 UNK_10962 4083 995 7774 2152 10979 15334 9983 2221 11864 1106 3688 5633 14240 12135 1714621 2080 14852 4424 6546 7765 27801 7235 3673 14686 10067 2984 6166 9127 1811 4180 3493 22567 3547 6421 4019 217638 4906 4279 24423 9187 8992 3445 3756 8402 430993 432 78857 3740 2063 4040 9101 36797 6834 2477 500 1048 4164 8289 3971 6630 6786 UNK_10465 36911 70171 46215 39372 73566 55441 37590 35250 74631 63403 45776 36069 95587 64091 34094 41745 75356 111778 110519 29229 90958 46056 51544 57956 38595 25112 47813 39431 52577 35806 69572 57675 36669 47499 68547 79226 53322 51007 73895 40757 78276 61083 32310 33309 54262 24755 42795 44353 72085 52619 43737 68893 50114 74055 19947 12973 58778 75418 35999 64536 55959 UNK_10176 13045 1432 19203 14332 16662 14161 22016 5648 19250 16490 13795 11646 24543 18230 13026 11308 14590 14779 15639 16229 18722 19221 14903 16035 20704 13381 17226 14076 14829 16455 11951 17546 10002 14932 16307 17080 13182 15670 17327 18190 16647 14872 15557 25102 18023 19320 20035 14951 14425 13476 13570 10075 16919 11763 3760 3102 14401 14409 18187 18966 15423 UNK_6646 7553 5630 13658 8725 9271 5426 10304 1314 7112 5756 4379 5307 9342 7840 27478 13549 5632 6916 77946 70024 11767 17817 7101 5721 9868 5601 7238 9103 2591 8652 2335 6520 6297 13591 12434 13212 76317 42977 15317 13407 4550 5513 4429 10359 38199 28740 11267 13265 2350 6386 4831 14360 10443 3420 2801 11724 4949 9972 9008 6415 16742 UNK_6278 1886 1207 6015 2675 3463 3971 4497 1194 2087 1838 37500 58043 6417 5969 8933 2633 119112 2087 15456 1947 6537 22530 8069 19539 927 16088 3574 2522 2052 631 1971 3514 6489 7574 7185 5938 37277 4828 1436 19309 3060 910 1295 7733 7647 2641 11596 4464 2188 6102 4839 10774 12251 3041 1061 803 844 3619 2174 5444 2503 UNK_5900 3437 5595 4346 3723 3158 5676 6158 3513 6637 6704 3891 5097 4751 5662 4347 4248 7514 4765 4134 4408 3688 3442 4672 2140 6108 5269 5838 4808 5857 5088 5874 5064 3081 5081 5658 4500 2373 6351 6901 5412 4623 5455 3587 9104 6108 2161 5089 2569 6548 7798 3662 3027 4209 3932 1755 2371 3828 4238 5086 5714 3914 UNK_5346 8244 10211 16067 16281 20622 9551 9755 7192 11909 17107 7901 13218 29189 10082 16847 6120 11880 24074 8245 13941 30939 19625 8418 18178 19992 10682 9814 9901 13848 10110 21133 12414 6935 21114 11984 26346 17909 9862 14308 23676 21046 20566 12302 10537 23859 5500 11856 48992 8378 17093 11487 15029 19089 8491 1953 4525 8124 19868 9390 20613 16875 UNK_4863 2540 2608 4881 2276 1685 1336 2425 779 7135 6606 2762 6200 11314 977 12741 2390 1394 628 1690 698 2677 1250 873 1165 1178 949 3511 5349 1662 1116 617 1149 2330 3098 1330 1128 798 1377 1652 2078 2452 659 1296 1716 1161 5480 2926 1759 677 1828 4898 3155 4186 1044 687 4502 938 2088 3486 2524 1914 UNK_4791 2591 1142 533 1804 2934 4726 1893 1089 2266 495 744 1139 9952 3673 70702 516 7890 1274 3115 2054 7331 2590 935 3082 2130 1987 3198 9771 1160 1391 1853 9362 1476 1063 779 30576 2936 912 3627 2591 2991 615 548 7839 7914 701 7082 1860 525 1123 3770 11049 1940 836 6743 1115 1458 1700 2324 1299 1571 UNK_4550 843 1628 1041 1861 1273 717 1338 1861 2116 1663 1221 947 2055 2427 635 764 1307 2486 1952 5256 2748 1751 960 1642 1363 822 514 1164 1743 1789 2879 4366 684 2024 1671 687 1729 1160 1969 2601 1596 3073 805 671 989 3132 691 1631 1442 2515 2352 723 1821 2297 284 284 1337 1558 2708 1733 1152 UNK_3381 53539 3111 10632 23204 47677 134702 51356 41204 69182 1250 12385 21420 233732 118090 1771686 8331 253899 17604 85145 63385 419318 52519 32995 62877 58708 44124 89691 381094 2194 23739 1102 228752 52518 5918 28911 1381458 88599 20089 94383 47116 52711 932 2242 236351 279373 631 229394 51278 1011 18080 87670 501102 53242 729 204505 18715 41488 66081 52612 20177 42921 UNK_3227 12251 10044 10022 13043 9162 10601 11107 17673 12834 8732 7918 11229 18904 17341 911 16478 15427 11582 14498 9049 18189 17136 13846 18447 16982 14590 12649 14397 27150 11529 9215 16753 15917 10256 11438 13124 12162 9524 10540 17408 20938 19335 13280 27470 3825 4348 14830 27043 13583 16473 14226 24079 18217 9219 11444 58763 17089 59337 15319 12665 10542 UNK_3177 7942 12637 5944 9444 9275 10385 12073 8584 11337 9037 8809 7651 11718 15214 23932 6478 10741 14397 12030 8519 13535 7482 9911 6005 8748 6923 8307 6532 11273 10725 13159 11939 4421 11662 10774 13436 8073 13837 16852 13679 8886 12905 6272 8475 9401 3815 11261 8279 11322 11275 9418 7464 8614 8147 3062 3510 8948 9878 8751 9707 9920 UNK_3172 15095 1777 3538 6252 12949 38531 16742 12844 20255 0 3767 7162 67832 33489 592289 3027 66306 6144 24940 20431 118740 15843 10339 16805 16477 16288 28997 100808 2154 8532 920 67951 18579 2192 7208 407369 28585 8956 27425 17590 16052 631 456 69942 77600 845 63762 16865 787 5675 27201 139226 16905 388 57091 20016 12236 23961 19093 6559 12848 UNK_3122 33965 3648 43762 32981 31234 35920 15455 36293 10629 5353 20008 29626 65495 41707 9542 14172 28792 30303 23374 27870 20031 41589 35425 31569 6197 361465 28013 23332 20079 38750 14310 38921 26289 32204 35558 37112 32055 29111 4807 28409 28721 14131 26646 35563 47961 9581 14789 32584 14331 22185 51072 97544 37824 2217 1539743 1409347 59564 29605 18065 34663 26473 UNK_2193 7770 7233 4850 4395 4097 3910 8196 4439 4966 6321 4367 7346 9469 7036 934 6451 6071 4597 8023 5203 6174 6902 7982 8428 5948 5406 5069 3942 6485 4370 7482 4933 4714 5724 5545 3821 5721 8616 7061 10700 6700 7498 10725 9617 3144 7599 4448 5494 8448 5489 5204 4989 6313 5420 2094 1658 7702 7183 6995 11282 5701 UNK_2031 28879 23020 36540 29259 41160 44976 27330 66512 53066 20979 37694 37215 74538 69119 3420 83637 76442 26453 78174 51532 79919 36058 64581 96724 43318 61681 83112 104929 37450 27902 68379 70358 36212 40032 48905 32753 68573 37745 34526 67505 111872 40348 77288 91452 8769 25428 52244 132516 54428 62670 63534 48630 74560 19478 88665 48925 65537 56632 68682 101613 35842 UNK_2001 1642 4093 2627 2617 3272 3193 1799 2907 4455 3078 1375 3714 3769 3281 2468 2029 5882 3359 3618 5500 6516 3039 2484 4470 7645 1758 2304 4937 4778 5066 5393 2821 1541 4014 5303 7243 3284 1969 1678 6817 6435 2265 3864 3360 3475 1896 2553 2542 2127 3584 4072 2255 4824 2306 554 356 2478 2881 415 6514 1710 UNK_1981 90475 71038 62511 67291 43750 49255 67584 125461 50540 64336 126987 54099 166408 63776 61805 113706 60147 53947 65817 54709 59248 73693 89851 69260 82673 60490 93475 56041 70057 47897 85019 55147 58167 62452 63231 61707 49294 78187 94633 58204 65838 71971 144259 140054 58243 46008 131758 126810 74222 72118 68346 90049 79037 54452 38703 33038 61868 61428 109143 173579 68503 UNK_1970 3608 2199 3370 4505 2164 9658 2778 8140 3768 3784 2638 5731 5578 21116 7298 30479 38557 4632 2823 2151 4750 2613 82582 9381 2847 4470 1920 1611 4099 2262 3528 8253 44618 17033 7384 3455 1131 2121 2920 28544 4562 5288 24151 10197 1940 11340 56298 15109 8033 7147 2551 6605 1822 4612 1046 978 3723 1764 11534 10976 2100 UNK_1725 24847 41014 43409 30138 39990 27182 22099 23657 38665 49268 17526 33800 51432 25821 29842 16718 34668 48598 36471 40556 61231 32515 28576 45655 51061 28818 29203 32986 46121 40595 45474 31032 16038 43187 37271 60714 33231 34599 39545 60314 47445 36275 36629 26045 44765 17022 34378 21527 25144 49228 32630 32913 52942 20205 8219 10224 22970 42034 10226 45591 37305 UNK_1704 1700 3406 2203 809 1752 2047 592 700 1326 1199 3354 2125 3389 3885 1308 756 7737 1943 3255 2128 4666 7415 3686 808 3085 2016 1614 3512 1735 956 3204 1349 791 2681 1789 1945 4688 2669 3082 20287 1740 4235 1001 814 1371 769 2308 853 1557 2273 3218 986 1579 1924 380 745 813 3949 6671 2763 1427 UNK_1684 796 1178 1126 1335 771 633 744 989 656 673 1184 828 1111 954 362 1373 1058 1163 1308 671 509 677 845 636 897 910 1088 652 886 724 1558 1464 325 1828 1060 663 950 1446 1172 1096 271 1073 2189 651 863 335 932 402 1286 824 1276 998 803 1396 424 737 1690 619 1172 910 1182 UNK_1064 35311 12023 119609 33355 38176 38662 46438 33040 38317 10879 20205 24417 79110 47290 43170 25360 40450 43914 52757 56492 64770 65799 41336 46085 51206 36286 38083 37814 15369 41088 18693 53818 44816 51815 47783 56647 80514 91378 62146 62561 46016 16422 79932 74173 188840 10709 81603 64012 21129 77928 27779 66982 85794 13530 9601 8062 49172 44315 78729 59992 36595 UNK_168 2328 35799 10072 8995 2521 5499 11509 2077 10233 27619 9736 7274 1431 3926 475 721 1910 1530 7325 1965 2732 3066 12828 2403 7436 2089 22284 13001 3659 14763 23081 3699 4453 3716 1894 1624 4759 3429 9866 18970 2506 2735 1776 2937 2207 3782 8327 4603 10939 5952 4104 25150 5455 469 1512 115 894 9942 3095 3227 12266 UNK_91 92190 93489 90420 121853 94101 60084 80283 54508 94908 122038 73142 67883 170443 75904 93613 78478 90236 102309 71931 76284 120828 115466 70761 107897 101112 66237 110752 71079 60597 77162 94497 80852 88021 195241 89741 183340 84957 99411 95660 95562 87630 114771 86570 129747 154351 55733 72092 65199 105998 84879 75134 99341 111444 59632 23886 47212 108069 82240 93450 118054 156996 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name ret.index m/z BB id MS_data PubChem KEGG InChI Key xylulose NIST 553450 173 31632 85:1861.0 86:702.0 87:1148.0 88:324.0 89:10095.0 90:1041.0 91:452.0 94:60.0 95:96.0 96:155.0 97:114.0 98:195.0 99:528.0 100:1225.0 101:2618.0 102:774.0 103:9082.0 104:930.0 106:381.0 108:16.0 109:127.0 110:14.0 111:327.0 112:10.0 113:567.0 114:3170.0 115:1092.0 116:1102.0 117:15978.0 118:1867.0 119:1700.0 120:3.0 125:55.0 126:826.0 128:264.0 129:1798.0 130:91.0 131:1527.0 132:491.0 133:5046.0 134:701.0 135:702.0 136:6.0 138:23.0 139:35.0 140:117.0 141:192.0 142:1927.0 143:502.0 144:243.0 145:139.0 147:24713.0 148:5028.0 149:2526.0 150:315.0 151:220.0 152:65.0 153:26.0 154:550.0 155:126.0 156:229.0 157:190.0 158:134.0 159:489.0 163:1175.0 164:44.0 165:68.0 166:65.0 167:36.0 168:213.0 169:140.0 170:31.0 171:1546.0 172:1120.0 173:8785.0 174:1555.0 175:664.0 176:105.0 177:250.0 178:554.0 179:28.0 180:36.0 181:14.0 183:52.0 184:333.0 185:51.0 186:216.0 187:29.0 188:320.0 189:626.0 190:179.0 191:151.0 192:102.0 193:67.0 194:3.0 196:14.0 198:154.0 199:323.0 200:305.0 201:773.0 202:842.0 203:501.0 204:973.0 205:9917.0 206:2401.0 207:662.0 208:84.0 210:108.0 211:29.0 212:18.0 214:161.0 216:100.0 218:34.0 220:4.0 221:172.0 222:37.0 226:43.0 228:1.0 229:573.0 230:121.0 231:97.0 232:499.0 233:91.0 235:27.0 236:10.0 240:52.0 241:22.0 242:171.0 244:64.0 246:28.0 248:11.0 255:29.0 256:9.0 257:221.0 258:12.0 259:66.0 260:85.0 261:68.0 262:334.0 263:3974.0 264:1269.0 265:391.0 266:19.0 269:40.0 270:19.0 271:7.0 274:9.0 280:44.0 281:11.0 282:48.0 285:7.0 286:20.0 287:19.0 288:212.0 289:27.0 290:6.0 296:8.0 299:16.0 300:38.0 301:44.0 302:122.0 305:16.0 311:18.0 317:43.0 318:72.0 325:6.0 329:4.0 332:1.0 333:198.0 334:153.0 335:141.0 336:141.0 338:1.0 343:10.0 345:15.0 348:2.0 351:57.0 356:19.0 358:19.0 360:171.0 361:16.0 364:291.0 365:143.0 366:142.0 367:13.0 368:1.0 373:12.0 374:13.0 375:137.0 377:47.0 378:3.0 380:8.0 387:36.0 390:6.0 392:8.0 395:5.0 396:4.0 397:13.0 402:6.0 411:4.0 413:6.0 418:4.0 421:16.0 425:2.0 429:12.0 431:12.0 432:6.0 436:31.0 441:7.0 444:20.0 452:45.0 453:79.0 454:20.0 467:33.0 468:1.0 477:3.0 483:5.0 484:29.0 489:2.0 490:24.0 495:4.0 500:2.0 439205 C00312 LQXVFWRQNMEDEE-PYHARJCCSA-N xylose 543267 103 169 86:77.0 87:118.0 89:838.0 90:80.0 91:46.0 94:19.0 96:63.0 98:48.0 99:37.0 100:186.0 101:192.0 102:469.0 103:7719.0 104:659.0 105:379.0 106:26.0 112:23.0 114:254.0 115:75.0 117:652.0 118:60.0 119:80.0 120:23.0 121:17.0 124:30.0 127:70.0 128:49.0 129:515.0 130:102.0 131:344.0 133:894.0 134:104.0 135:66.0 137:49.0 142:48.0 143:43.0 144:51.0 145:65.0 147:2699.0 148:283.0 149:250.0 151:31.0 155:21.0 158:31.0 160:567.0 161:97.0 163:88.0 165:32.0 167:13.0 168:66.0 169:21.0 170:22.0 172:28.0 174:40.0 175:84.0 177:32.0 186:30.0 189:592.0 190:92.0 191:136.0 192:37.0 204:193.0 205:153.0 206:45.0 216:30.0 217:2261.0 218:416.0 219:145.0 221:41.0 232:19.0 233:86.0 234:53.0 259:39.0 262:45.0 263:19.0 277:127.0 278:31.0 280:13.0 306:12.0 307:531.0 308:161.0 309:44.0 319:27.0 320:22.0 322:17.0 323:30.0 333:14.0 339:12.0 343:39.0 345:16.0 360:15.0 367:17.0 368:19.0 378:21.0 383:16.0 387:17.0 389:16.0 396:18.0 411:17.0 430:14.0 432:13.0 477:18.0 487:15.0 488:20.0 490:30.0 497:21.0 135191 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N xylitol 567437 217 5857 85:22.0 87:53.0 88:95.0 89:312.0 94:15.0 99:38.0 101:376.0 103:3875.0 104:345.0 105:78.0 107:25.0 108:24.0 110:68.0 113:18.0 115:63.0 116:117.0 117:1418.0 118:103.0 119:73.0 129:1604.0 130:163.0 131:367.0 132:26.0 133:712.0 135:29.0 142:33.0 143:88.0 147:3295.0 148:560.0 149:319.0 155:12.0 157:214.0 159:20.0 163:58.0 169:22.0 171:40.0 175:99.0 182:58.0 189:476.0 190:74.0 191:333.0 192:19.0 193:15.0 203:146.0 204:368.0 205:1143.0 206:235.0 207:58.0 208:31.0 213:9.0 217:3381.0 218:764.0 219:285.0 220:63.0 221:24.0 222:29.0 229:15.0 230:5.0 243:159.0 244:12.0 254:42.0 273:1.0 277:63.0 278:38.0 279:15.0 284:7.0 288:7.0 290:3.0 291:26.0 295:20.0 307:483.0 308:139.0 309:50.0 310:29.0 317:31.0 318:23.0 319:361.0 320:75.0 332:39.0 340:1.0 366:24.0 418:5.0 423:1.0 424:12.0 449:5.0 456:24.0 465:15.0 467:3.0 472:7.0 499:3.0 6912 C00379 HEBKCHPVOIAQTA-NGQZWQHPSA-N xanthine 701688 353 1669 85:2517.0 86:3710.0 87:2079.0 88:382.0 89:398.0 90:80.0 91:121.0 92:294.0 93:389.0 94:217.0 95:887.0 96:502.0 97:447.0 98:2556.0 99:3280.0 100:20394.0 101:2912.0 102:1806.0 103:2337.0 104:350.0 105:1446.0 106:113.0 107:15.0 108:151.0 109:225.0 110:796.0 111:2460.0 112:928.0 113:1375.0 114:1007.0 115:2460.0 116:1524.0 117:4430.0 118:716.0 119:955.0 120:203.0 121:149.0 122:214.0 123:385.0 124:753.0 125:1299.0 126:927.0 127:713.0 128:2133.0 129:570.0 130:2669.0 131:17683.0 132:4507.0 133:9141.0 134:902.0 135:654.0 136:317.0 137:441.0 138:525.0 139:911.0 140:685.0 141:1032.0 142:1839.0 143:1189.0 144:1769.0 145:616.0 146:309.0 147:84747.0 148:13824.0 149:7320.0 150:878.0 151:744.0 152:820.0 153:846.0 154:569.0 155:716.0 156:1197.0 157:2430.0 158:11345.0 159:2439.0 160:1405.0 161:291.0 162:120.0 163:70.0 164:555.0 165:318.0 166:708.0 167:738.0 168:653.0 169:1526.0 170:892.0 171:1982.0 172:2044.0 173:1365.0 174:2816.0 175:583.0 176:255.0 177:155.0 178:451.0 179:306.0 180:690.0 181:1323.0 182:625.0 183:1021.0 184:830.0 185:665.0 186:246.0 187:124.0 188:314.0 189:201.0 190:113.0 191:118.0 192:172.0 193:266.0 194:461.0 195:394.0 196:455.0 197:832.0 198:817.0 199:334.0 200:215.0 201:63.0 202:47.0 203:31.0 204:167.0 205:787.0 206:1099.0 207:789.0 208:613.0 209:498.0 210:743.0 211:589.0 212:251.0 213:64.0 214:219.0 215:112.0 216:56.0 217:96.0 218:145.0 219:194.0 220:462.0 221:1323.0 222:1301.0 223:1229.0 224:983.0 225:547.0 226:281.0 227:208.0 228:106.0 229:77.0 230:44.0 231:56.0 232:97.0 233:15.0 234:67.0 235:410.0 236:1550.0 237:1053.0 238:5251.0 239:1475.0 240:674.0 241:319.0 242:103.0 244:3.0 245:53.0 246:38.0 247:136.0 248:12.0 249:383.0 250:326.0 251:653.0 252:1364.0 253:811.0 254:591.0 255:251.0 256:306.0 257:108.0 259:8.0 260:48.0 261:54.0 262:56.0 263:1232.0 264:341.0 265:5889.0 266:1421.0 267:607.0 268:486.0 269:755.0 270:251.0 271:181.0 272:93.0 273:51.0 274:67.0 275:14.0 276:24.0 277:437.0 278:4264.0 279:13335.0 280:4864.0 281:3735.0 282:997.0 283:538.0 284:211.0 285:94.0 286:59.0 287:83.0 288:27.0 289:9.0 290:7.0 291:44.0 292:36.0 293:652.0 294:16947.0 295:7531.0 296:3125.0 297:797.0 298:263.0 299:77.0 300:79.0 302:54.0 304:6.0 308:30.0 309:152.0 310:369.0 311:818.0 312:371.0 313:142.0 314:55.0 316:18.0 317:35.0 319:21.0 320:37.0 321:12.0 322:49.0 323:114.0 324:148.0 325:192.0 326:1336.0 327:810.0 328:304.0 329:95.0 330:58.0 332:23.0 334:35.0 335:26.0 336:37.0 337:1290.0 338:593.0 339:377.0 340:221.0 341:145.0 342:29.0 343:35.0 347:26.0 348:24.0 349:19.0 350:13.0 351:242.0 352:1176.0 353:49940.0 354:17591.0 355:8417.0 356:1768.0 357:564.0 358:92.0 359:65.0 360:46.0 361:93.0 362:121.0 363:132.0 364:132.0 366:36.0 367:1739.0 368:18993.0 369:6547.0 370:3076.0 371:677.0 372:202.0 373:42.0 374:31.0 377:12.0 378:2.0 385:7.0 388:43.0 390:48.0 391:36.0 393:14.0 398:1.0 403:4.0 404:9.0 406:32.0 409:21.0 422:6.0 424:5.0 425:35.0 437:29.0 438:5.0 439:16.0 455:12.0 457:3.0 459:12.0 471:6.0 476:11.0 487:21.0 493:16.0 496:21.0 500:29.0 1188 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N uric acid 730691 441 23 85:3006.0 86:5154.0 87:3017.0 88:706.0 89:685.0 91:208.0 92:147.0 93:161.0 94:85.0 95:336.0 96:306.0 97:450.0 98:2631.0 99:3540.0 100:32370.0 101:4842.0 102:2564.0 103:7632.0 104:909.0 105:1432.0 106:210.0 107:202.0 108:137.0 109:288.0 110:648.0 111:2136.0 112:611.0 113:1768.0 114:1646.0 115:2846.0 116:1906.0 117:4732.0 118:851.0 119:1234.0 120:212.0 121:150.0 122:111.0 123:193.0 124:531.0 125:1007.0 126:477.0 127:2119.0 128:1531.0 129:7588.0 130:4565.0 131:19581.0 132:4115.0 133:12725.0 134:1847.0 135:835.0 136:200.0 137:239.0 138:163.0 139:488.0 140:429.0 141:4257.0 142:1659.0 143:2837.0 144:1525.0 145:968.0 146:437.0 147:75237.0 148:11692.0 149:6445.0 150:708.0 151:565.0 152:422.0 153:429.0 154:424.0 155:1133.0 156:1317.0 157:2911.0 158:6123.0 159:1456.0 160:1629.0 161:605.0 162:245.0 163:143.0 164:134.0 165:151.0 166:164.0 167:635.0 168:736.0 169:1134.0 170:684.0 171:4443.0 172:6580.0 173:1792.0 174:4040.0 175:966.0 176:316.0 177:598.0 178:236.0 179:238.0 180:283.0 181:515.0 182:895.0 183:1008.0 184:1079.0 185:1067.0 186:411.0 187:280.0 188:1254.0 189:1532.0 190:937.0 191:7452.0 192:1440.0 193:840.0 194:218.0 195:694.0 196:382.0 197:808.0 198:996.0 199:2468.0 200:667.0 201:442.0 202:165.0 203:404.0 204:3918.0 205:1184.0 206:530.0 207:840.0 208:316.0 209:283.0 210:392.0 211:411.0 212:332.0 213:526.0 214:245.0 215:419.0 216:278.0 217:12551.0 218:2493.0 219:1206.0 220:284.0 221:1658.0 222:703.0 223:357.0 224:789.0 225:373.0 226:303.0 227:325.0 228:203.0 229:319.0 230:561.0 231:344.0 232:371.0 233:81.0 234:115.0 235:91.0 236:193.0 237:119.0 238:457.0 239:348.0 240:554.0 241:224.0 242:343.0 243:462.0 244:197.0 245:879.0 246:338.0 247:96.0 248:74.0 249:74.0 250:139.0 251:369.0 252:888.0 253:568.0 254:484.0 255:257.0 256:227.0 257:179.0 258:135.0 259:142.0 260:24.0 261:79.0 262:77.0 263:114.0 264:63.0 265:1882.0 266:690.0 267:832.0 268:357.0 269:307.0 270:203.0 271:198.0 272:122.0 273:141.0 274:51.0 275:69.0 276:112.0 277:240.0 278:209.0 279:733.0 280:380.0 281:309.0 282:222.0 283:217.0 284:262.0 285:155.0 286:143.0 288:59.0 289:80.0 290:94.0 291:908.0 292:366.0 293:810.0 294:1001.0 295:780.0 296:418.0 297:250.0 298:188.0 299:178.0 300:26.0 301:81.0 303:60.0 304:247.0 305:6305.0 306:1969.0 307:1067.0 308:738.0 309:446.0 310:543.0 311:449.0 312:302.0 313:128.0 314:194.0 315:110.0 316:89.0 317:201.0 318:3276.0 319:1370.0 320:578.0 321:219.0 322:61.0 323:166.0 324:410.0 325:443.0 326:1647.0 327:689.0 328:791.0 329:204.0 330:147.0 331:127.0 332:75.0 333:54.0 335:80.0 336:78.0 337:173.0 338:177.0 339:258.0 340:276.0 341:459.0 342:275.0 343:308.0 344:126.0 345:70.0 346:75.0 347:66.0 348:41.0 349:61.0 350:112.0 351:861.0 352:600.0 353:3664.0 354:1270.0 355:660.0 356:210.0 357:90.0 358:48.0 359:79.0 360:63.0 361:49.0 362:49.0 363:76.0 364:29.0 365:256.0 366:1113.0 367:8086.0 368:4869.0 369:2615.0 370:888.0 371:308.0 372:97.0 373:81.0 374:108.0 375:122.0 376:105.0 377:116.0 378:114.0 379:134.0 380:101.0 381:667.0 382:10168.0 383:5276.0 384:2459.0 385:812.0 386:279.0 387:107.0 388:65.0 391:32.0 392:36.0 393:226.0 394:130.0 395:97.0 396:65.0 397:62.0 398:72.0 399:119.0 400:127.0 401:114.0 402:87.0 403:47.0 404:56.0 405:28.0 406:50.0 407:53.0 408:68.0 409:93.0 410:42.0 411:124.0 413:134.0 414:130.0 415:109.0 416:103.0 417:121.0 418:85.0 419:123.0 420:104.0 422:80.0 423:81.0 424:104.0 425:376.0 426:193.0 427:198.0 428:82.0 429:98.0 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419:77.0 421:15.0 445:98.0 460:62.0 490:5.0 499:21.0 1174 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N UDP-glucuronic acid 585473 217 21705 85:836.0 86:140.0 89:1123.0 90:104.0 91:79.0 93:59.0 95:150.0 97:257.0 98:49.0 99:769.0 100:56.0 101:10488.0 102:871.0 103:3819.0 104:238.0 105:458.0 107:72.0 108:6.0 109:366.0 111:1096.0 112:28.0 113:631.0 114:58.0 115:828.0 116:9417.0 117:6717.0 118:797.0 119:682.0 120:43.0 121:42.0 122:1.0 123:812.0 124:139.0 125:97.0 126:23.0 127:433.0 129:8544.0 130:854.0 131:1568.0 132:223.0 133:3913.0 134:477.0 135:419.0 137:566.0 141:107.0 142:141.0 143:4198.0 144:457.0 145:334.0 147:5685.0 148:680.0 149:1111.0 150:101.0 151:86.0 155:743.0 156:164.0 157:6510.0 158:761.0 159:724.0 160:15.0 161:286.0 163:13.0 165:101.0 169:120.0 171:176.0 173:86.0 175:39.0 177:207.0 178:9.0 183:265.0 189:506.0 190:77.0 191:2218.0 192:323.0 193:111.0 197:9.0 201:1.0 203:73.0 215:54.0 216:181.0 217:37737.0 218:7712.0 219:3330.0 220:378.0 230:67.0 231:97.0 232:65.0 233:9.0 234:2.0 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101:1584.0 102:1611.0 103:773.0 104:190.0 113:59.0 114:89.0 115:489.0 118:184.0 119:183.0 127:218.0 130:2243.0 131:264.0 132:923.0 133:652.0 144:250.0 145:420.0 146:217.0 147:2097.0 148:245.0 149:212.0 154:44.0 156:266.0 157:161.0 158:212.0 159:339.0 160:439.0 161:112.0 162:7.0 170:343.0 171:149.0 172:244.0 173:187.0 174:182.0 175:114.0 177:48.0 182:53.0 183:28.0 184:219.0 186:457.0 187:53.0 188:390.0 189:222.0 190:515.0 191:181.0 198:133.0 199:225.0 200:1444.0 201:360.0 202:50950.0 203:10013.0 204:2891.0 205:325.0 206:74.0 215:80.0 218:1837.0 219:230.0 220:101.0 230:420.0 233:23.0 238:22.0 239:30.0 240:24.0 241:38.0 242:41.0 247:44.0 250:35.0 251:30.0 264:60.0 266:15.0 272:45.0 280:28.0 282:40.0 290:39.0 291:2652.0 292:727.0 293:366.0 294:18.0 296:23.0 302:20.0 303:194.0 304:23.0 322:37.0 332:33.0 338:45.0 340:22.0 342:26.0 348:42.0 350:28.0 351:27.0 357:27.0 364:22.0 365:15.0 367:18.0 371:17.0 377:107.0 378:56.0 394:26.0 400:29.0 405:86.0 406:64.0 419:24.0 424:18.0 429:27.0 433:18.0 438:28.0 442:26.0 449:17.0 451:25.0 459:35.0 465:14.0 494:23.0 495:13.0 496:19.0 500:23.0 6305 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N threonine 408777 218 171298 85:3292.0 86:8314.0 87:9239.0 88:2146.0 89:1384.0 90:306.0 91:153.0 92:315.0 94:182.0 97:494.0 98:2338.0 100:29753.0 101:59367.0 102:12275.0 103:7014.0 104:972.0 105:1395.0 108:157.0 109:69.0 110:316.0 112:1534.0 113:915.0 114:5652.0 115:7842.0 116:2291.0 117:82641.0 118:9093.0 119:5575.0 120:42.0 121:295.0 122:99.0 125:29.0 128:17938.0 129:15821.0 130:16106.0 131:15835.0 132:12042.0 133:17512.0 134:3015.0 135:1861.0 136:223.0 139:106.0 141:125.0 142:589.0 143:453.0 144:1957.0 145:997.0 147:35599.0 148:6204.0 149:4547.0 150:415.0 151:404.0 153:72.0 156:188.0 157:440.0 158:2185.0 159:3215.0 160:1970.0 161:779.0 162:374.0 163:463.0 164:255.0 165:120.0 166:108.0 167:57.0 168:61.0 169:104.0 171:333.0 172:911.0 173:493.0 174:1437.0 175:500.0 176:861.0 177:1275.0 178:302.0 179:185.0 181:100.0 182:96.0 183:89.0 186:1460.0 187:457.0 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440:35.0 442:8.0 444:11.0 445:13.0 447:3.0 449:16.0 460:8.0 462:6.0 463:12.0 471:7.0 496:9.0 498:10.0 444305 C00898 FEWJPZIEWOKRBE-JCYAYHJZSA-N tagatose 631835 307 33981 85:79.0 86:3623.0 87:140.0 88:1083.0 89:19467.0 90:3116.0 92:207.0 94:181.0 95:260.0 96:1171.0 101:4728.0 102:155.0 103:277573.0 104:24119.0 105:14099.0 106:2858.0 111:569.0 112:433.0 114:3213.0 115:2819.0 117:15123.0 118:3495.0 119:2158.0 120:1178.0 125:544.0 126:709.0 127:8754.0 128:865.0 129:17063.0 130:3195.0 131:12310.0 132:1286.0 133:28749.0 137:1064.0 138:62.0 140:835.0 141:691.0 142:5686.0 143:3736.0 145:1483.0 146:1289.0 147:52979.0 148:17727.0 149:4090.0 150:1459.0 151:2432.0 153:511.0 154:492.0 155:427.0 156:386.0 157:8012.0 158:246.0 161:2318.0 162:150.0 163:4442.0 164:152.0 165:354.0 166:481.0 171:4944.0 172:7279.0 173:6584.0 174:446.0 175:2462.0 177:1527.0 178:70.0 179:651.0 180:880.0 181:1176.0 184:1744.0 186:1529.0 187:1198.0 188:2800.0 189:16950.0 190:3163.0 191:3765.0 192:408.0 193:3520.0 195:550.0 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C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N sorbitol 667922 217 162 85:588.0 86:704.0 88:1768.0 89:8743.0 90:652.0 91:1094.0 92:168.0 93:127.0 94:89.0 97:2807.0 98:1048.0 99:1610.0 100:506.0 101:5089.0 102:848.0 103:48732.0 104:4923.0 105:2703.0 106:215.0 109:509.0 110:185.0 111:1108.0 112:146.0 113:1262.0 114:181.0 115:2342.0 116:957.0 117:28648.0 118:2694.0 119:2266.0 120:260.0 121:427.0 123:238.0 124:184.0 125:365.0 126:341.0 127:1107.0 129:20376.0 130:3176.0 131:6565.0 132:1009.0 133:14598.0 134:2015.0 135:966.0 136:167.0 137:208.0 138:235.0 139:205.0 140:167.0 141:605.0 142:358.0 143:4717.0 144:494.0 145:966.0 146:281.0 147:69563.0 148:12235.0 149:8372.0 150:559.0 151:534.0 152:185.0 153:407.0 155:923.0 156:304.0 157:13835.0 158:1728.0 159:920.0 161:501.0 162:120.0 163:999.0 164:235.0 165:86.0 166:123.0 167:268.0 168:107.0 169:761.0 170:173.0 172:59.0 173:380.0 174:229.0 175:1331.0 176:290.0 177:778.0 178:211.0 183:1324.0 184:244.0 186:387.0 187:238.0 188:87.0 189:6785.0 190:1762.0 191:6067.0 192:1019.0 193:563.0 194:164.0 195:154.0 196:204.0 197:95.0 198:56.0 200:106.0 201:445.0 202:197.0 203:793.0 204:6829.0 205:30832.0 206:5855.0 207:3196.0 208:471.0 209:153.0 210:40.0 211:37.0 212:28.0 213:336.0 214:403.0 215:418.0 216:171.0 217:30221.0 218:6026.0 219:2710.0 220:460.0 221:1707.0 222:417.0 223:241.0 224:82.0 225:94.0 226:83.0 227:1058.0 228:409.0 229:3000.0 230:905.0 231:2575.0 232:620.0 233:270.0 234:69.0 235:69.0 236:62.0 237:122.0 239:317.0 240:318.0 241:178.0 242:316.0 243:412.0 244:135.0 245:133.0 246:126.0 247:218.0 248:85.0 249:75.0 250:64.0 251:63.0 253:67.0 254:72.0 255:1017.0 256:263.0 257:354.0 258:82.0 259:521.0 260:163.0 261:126.0 262:65.0 263:70.0 264:61.0 265:325.0 266:101.0 267:63.0 268:50.0 269:86.0 271:111.0 273:195.0 275:61.0 276:70.0 277:1234.0 278:623.0 279:305.0 280:104.0 281:69.0 282:43.0 283:21.0 284:36.0 285:18.0 286:35.0 287:39.0 288:63.0 289:50.0 290:54.0 291:1018.0 292:374.0 293:163.0 294:88.0 295:48.0 300:16.0 301:31.0 302:19.0 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434:77.0 435:32.0 439:50.0 440:28.0 441:33.0 442:17.0 447:26.0 448:30.0 450:31.0 451:24.0 452:26.0 453:37.0 455:23.0 456:21.0 457:23.0 458:30.0 459:25.0 462:51.0 465:23.0 467:30.0 468:36.0 469:35.0 470:39.0 473:19.0 474:32.0 475:34.0 476:25.0 477:35.0 478:30.0 479:47.0 480:38.0 481:46.0 483:17.0 484:30.0 485:41.0 486:40.0 487:20.0 489:45.0 491:46.0 496:29.0 497:32.0 498:13.0 500:18.0 5780 C00794 FBPFZTCFMRRESA-JGWLITMVSA-N saccharic acid 699211 333 11214 85:376.0 86:223.0 87:56.0 89:377.0 90:30.0 91:59.0 93:137.0 94:112.0 95:140.0 99:663.0 100:177.0 101:426.0 102:1251.0 103:1710.0 104:173.0 105:104.0 106:11.0 108:89.0 110:106.0 111:181.0 112:63.0 113:312.0 114:10.0 115:253.0 116:35.0 117:1458.0 118:146.0 119:195.0 121:344.0 123:7.0 124:91.0 127:309.0 129:1394.0 130:600.0 131:1538.0 132:485.0 133:2043.0 134:499.0 135:122.0 138:17.0 139:23.0 140:81.0 141:149.0 143:3044.0 144:276.0 145:316.0 147:11913.0 148:1649.0 149:1383.0 150:224.0 151:65.0 152:26.0 155:42.0 156:105.0 157:300.0 158:37.0 159:125.0 160:188.0 161:43.0 163:36.0 168:44.0 169:105.0 171:1107.0 172:153.0 173:90.0 174:26.0 175:161.0 177:3.0 180:1.0 183:72.0 184:26.0 185:92.0 186:24.0 187:193.0 188:27.0 189:1990.0 190:418.0 191:701.0 192:53.0 196:40.0 198:32.0 199:106.0 201:154.0 203:24.0 205:736.0 206:83.0 207:329.0 208:19.0 211:75.0 212:45.0 213:56.0 214:86.0 215:292.0 216:80.0 217:2408.0 218:847.0 219:1061.0 220:53.0 221:1019.0 222:256.0 223:112.0 224:40.0 227:3.0 228:3.0 229:239.0 230:141.0 231:207.0 232:73.0 239:38.0 242:14.0 243:379.0 244:114.0 245:240.0 246:57.0 247:60.0 257:108.0 258:39.0 259:50.0 261:87.0 263:38.0 266:37.0 267:20.0 268:1.0 271:9.0 272:50.0 273:98.0 274:14.0 275:29.0 276:38.0 277:842.0 278:211.0 279:96.0 280:2.0 282:78.0 285:21.0 287:6.0 288:3.0 291:300.0 292:3043.0 293:825.0 294:462.0 295:47.0 300:2.0 304:31.0 305:1342.0 306:460.0 307:289.0 308:56.0 313:131.0 314:8.0 315:54.0 318:13.0 319:163.0 320:67.0 321:108.0 323:35.0 324:1.0 325:5.0 326:13.0 330:11.0 331:20.0 332:148.0 333:7260.0 334:2452.0 335:1196.0 336:220.0 337:32.0 338:1.0 342:134.0 343:16.0 345:219.0 346:57.0 347:24.0 353:14.0 354:30.0 356:31.0 357:5.0 358:38.0 359:37.0 360:19.0 367:7.0 370:42.0 371:36.0 373:358.0 374:113.0 375:90.0 376:6.0 377:14.0 379:65.0 380:40.0 392:11.0 393:334.0 394:58.0 395:41.0 404:12.0 407:2.0 408:23.0 411:87.0 416:36.0 419:206.0 420:34.0 423:301.0 424:157.0 425:112.0 426:5.0 431:11.0 435:177.0 436:26.0 437:5.0 444:186.0 445:129.0 446:53.0 447:162.0 448:83.0 449:81.0 459:92.0 461:5.0 463:20.0 465:3.0 475:10.0 495:18.0 33037 C00818 DSLZVSRJTYRBFB-LLEIAEIESA-N ribose 553078 217 125857 86:256.0 88:77.0 89:2341.0 90:204.0 100:1244.0 102:397.0 103:25101.0 104:1858.0 105:1542.0 106:124.0 108:202.0 114:250.0 115:266.0 116:1750.0 117:824.0 118:141.0 119:131.0 125:92.0 128:189.0 130:320.0 131:658.0 132:835.0 133:1894.0 134:477.0 136:515.0 137:128.0 139:82.0 140:98.0 141:460.0 145:269.0 146:79.0 147:4568.0 148:451.0 153:48.0 158:165.0 159:162.0 160:1561.0 161:254.0 162:96.0 163:46.0 164:51.0 165:34.0 168:56.0 172:155.0 174:132.0 175:76.0 178:50.0 188:322.0 189:2784.0 190:337.0 191:329.0 193:31.0 198:97.0 200:81.0 201:83.0 202:59.0 207:64.0 216:158.0 218:175.0 219:158.0 221:60.0 231:435.0 232:126.0 233:441.0 234:43.0 235:30.0 258:124.0 259:40.0 262:186.0 272:44.0 274:83.0 277:453.0 278:157.0 279:84.0 287:21.0 291:71.0 303:22.0 305:53.0 306:60.0 307:2269.0 308:661.0 309:268.0 310:43.0 333:39.0 334:104.0 362:40.0 424:16.0 432:16.0 5779 C00121 HMFHBZSHGGEWLO-SOOFDHNKSA-N ribonic acid 599680 292 1683 85:227.0 86:88.0 87:301.0 88:189.0 89:1714.0 90:165.0 92:75.0 93:53.0 98:147.0 99:481.0 100:3713.0 101:2153.0 102:4583.0 103:29677.0 104:2992.0 105:1403.0 110:143.0 111:44.0 112:63.0 113:396.0 114:93.0 115:933.0 116:854.0 117:9305.0 118:835.0 119:929.0 120:54.0 121:81.0 123:25.0 124:12.0 125:90.0 126:47.0 127:17.0 128:340.0 129:5571.0 130:3345.0 131:4080.0 132:826.0 133:8223.0 134:602.0 135:562.0 137:46.0 139:39.0 140:90.0 141:1032.0 142:367.0 143:4590.0 144:757.0 145:631.0 146:187.0 147:40238.0 148:5927.0 149:4310.0 150:456.0 151:211.0 152:3764.0 153:254.0 154:5.0 155:440.0 156:1116.0 157:2145.0 158:390.0 159:275.0 160:76.0 161:315.0 163:366.0 164:27.0 167:11.0 168:28.0 169:367.0 170:81.0 171:464.0 172:106.0 173:204.0 175:855.0 176:124.0 177:276.0 178:30.0 180:206.0 181:4.0 182:13.0 184:41.0 185:245.0 187:113.0 189:6811.0 190:1887.0 191:3135.0 192:378.0 193:214.0 194:8.0 196:26.0 199:45.0 201:322.0 202:97.0 203:463.0 204:4503.0 205:5434.0 206:1243.0 207:1278.0 208:287.0 212:19.0 215:438.0 216:90.0 217:19086.0 218:4004.0 219:2380.0 220:491.0 221:2259.0 222:441.0 223:216.0 226:21.0 228:33.0 229:322.0 230:129.0 231:533.0 232:109.0 233:105.0 234:47.0 236:5.0 241:1.0 243:59.0 244:15.0 245:275.0 246:137.0 247:35.0 248:5.0 249:28.0 253:25.0 256:42.0 257:1488.0 258:307.0 259:224.0 260:48.0 261:44.0 263:32.0 264:25.0 265:259.0 266:3.0 267:58.0 270:10.0 271:14.0 275:15.0 276:20.0 277:1814.0 278:581.0 279:322.0 280:11.0 282:12.0 285:10.0 288:3.0 289:8.0 291:439.0 292:17082.0 293:5121.0 294:2542.0 295:464.0 296:127.0 300:2.0 302:40.0 303:224.0 304:137.0 305:2932.0 306:977.0 307:2769.0 308:774.0 309:318.0 310:63.0 311:7.0 313:41.0 314:16.0 316:31.0 319:428.0 320:140.0 321:217.0 323:11.0 327:17.0 328:4.0 330:1.0 331:1193.0 332:400.0 333:2522.0 334:657.0 335:311.0 336:70.0 337:32.0 338:1.0 339:12.0 341:35.0 346:55.0 347:166.0 348:22.0 352:9.0 356:18.0 362:6.0 369:1.0 372:13.0 377:16.0 378:20.0 379:192.0 380:31.0 381:68.0 385:1.0 387:41.0 389:2.0 391:10.0 393:214.0 394:125.0 396:13.0 401:26.0 402:14.0 415:15.0 421:408.0 422:154.0 423:139.0 424:17.0 429:2.0 431:7.0 436:13.0 438:8.0 443:2.0 444:16.0 445:10.0 459:86.0 460:13.0 461:2.0 462:47.0 465:22.0 467:16.0 468:1.0 488:32.0 5460677 C01685 QXKAIJAYHKCRRA-BXXZVTAOSA-N ribitol 575497 217 7362 85:248.0 86:43.0 87:65.0 88:62.0 89:897.0 90:98.0 92:20.0 95:22.0 99:113.0 100:224.0 101:774.0 102:28.0 103:6316.0 104:624.0 105:415.0 107:35.0 109:433.0 110:374.0 111:71.0 112:1.0 113:273.0 114:80.0 115:19.0 116:274.0 117:7478.0 118:701.0 119:297.0 126:2.0 128:44.0 129:3713.0 130:874.0 131:1633.0 132:149.0 133:1838.0 134:180.0 135:129.0 136:1.0 140:1.0 142:152.0 143:478.0 145:98.0 146:11.0 147:7935.0 148:1218.0 149:625.0 154:14.0 155:280.0 156:23.0 157:910.0 158:67.0 159:46.0 160:682.0 161:214.0 163:96.0 168:28.0 170:214.0 171:249.0 172:78.0 175:33.0 177:60.0 184:254.0 186:170.0 187:30.0 188:1.0 189:1390.0 190:239.0 191:807.0 192:173.0 199:50.0 201:192.0 203:352.0 204:1100.0 205:2227.0 206:389.0 207:148.0 211:6.0 216:1.0 217:5564.0 218:1297.0 219:501.0 220:120.0 221:136.0 223:16.0 224:117.0 228:1.0 229:104.0 230:12.0 231:45.0 233:16.0 234:26.0 239:7.0 243:251.0 244:59.0 245:4.0 246:1.0 251:165.0 277:387.0 278:34.0 279:2.0 297:7.0 299:30.0 302:17.0 305:61.0 307:471.0 308:88.0 309:19.0 317:81.0 319:760.0 320:194.0 321:144.0 322:1.0 332:138.0 349:39.0 827 C00474 HEBKCHPVOIAQTA-ZXFHETKHSA-N quinic acid 634900 345 4523 87:107.0 91:114.0 92:3.0 93:26.0 99:91.0 100:4.0 106:51.0 108:3.0 112:77.0 115:536.0 119:77.0 120:17.0 121:29.0 123:21.0 124:12.0 125:18.0 126:140.0 127:330.0 130:94.0 131:533.0 132:2.0 133:745.0 134:431.0 136:13.0 137:5.0 138:6.0 139:136.0 141:559.0 143:468.0 147:4537.0 148:790.0 149:692.0 150:49.0 151:189.0 154:24.0 157:65.0 158:6.0 161:36.0 165:9.0 167:239.0 168:114.0 169:34.0 176:73.0 181:98.0 183:277.0 185:90.0 186:82.0 187:46.0 189:19.0 191:109.0 192:194.0 193:148.0 194:90.0 195:94.0 196:19.0 197:14.0 198:23.0 199:91.0 200:29.0 204:670.0 205:263.0 208:5.0 210:18.0 212:13.0 213:17.0 214:9.0 215:89.0 216:98.0 221:115.0 222:22.0 223:19.0 224:9.0 225:10.0 227:16.0 228:10.0 236:1.0 237:15.0 238:1.0 239:582.0 240:112.0 241:88.0 242:45.0 243:272.0 244:220.0 250:7.0 254:22.0 255:2804.0 256:684.0 257:526.0 258:18.0 260:23.0 262:36.0 263:2.0 264:15.0 265:22.0 266:10.0 267:62.0 270:12.0 275:9.0 276:20.0 278:2.0 279:24.0 283:128.0 284:18.0 287:26.0 288:13.0 290:9.0 294:12.0 302:72.0 305:58.0 309:23.0 313:147.0 316:6.0 318:12.0 320:49.0 322:19.0 329:45.0 331:15.0 332:15.0 333:87.0 334:283.0 335:35.0 336:6.0 337:24.0 338:4.0 344:108.0 345:3653.0 346:1453.0 347:668.0 348:56.0 351:6.0 357:9.0 359:37.0 361:11.0 365:10.0 371:1.0 372:134.0 373:63.0 374:28.0 377:1.0 383:8.0 395:8.0 407:1.0 417:4.0 418:6.0 419:187.0 420:103.0 435:130.0 436:1.0 437:23.0 438:4.0 439:13.0 447:19.0 454:8.0 470:4.0 476:13.0 496:1.0 6508 C00296 AAWZDTNXLSGCEK-LNVDRNJUSA-N pyrogallol 495011 239 26714 85:498.0 86:16526.0 87:2107.0 88:2473.0 89:795.0 90:285.0 91:2432.0 92:200.0 93:3235.0 95:1451.0 99:58.0 100:9299.0 101:2275.0 102:1668.0 103:3305.0 104:586.0 105:2226.0 106:279.0 107:2233.0 108:434.0 109:189.0 110:2555.0 112:1324.0 113:612.0 114:3010.0 115:213.0 116:331.0 117:387.0 118:197.0 119:2925.0 120:996.0 121:1804.0 123:1089.0 124:616.0 125:1137.0 126:4149.0 127:263.0 128:1518.0 129:2729.0 130:5534.0 131:1015.0 132:285.0 133:5970.0 134:1210.0 135:481.0 136:61.0 137:758.0 138:320.0 139:7.0 140:179.0 141:130.0 143:458.0 144:367.0 146:5921.0 147:494.0 149:631.0 151:467.0 152:201.0 153:200.0 154:223.0 155:225.0 156:2023.0 157:98.0 158:944.0 160:934.0 161:231.0 162:198.0 163:224.0 164:608.0 166:14.0 167:129.0 168:73.0 170:1343.0 171:249.0 172:4507.0 173:398.0 174:15856.0 175:2925.0 176:1072.0 177:323.0 178:45.0 179:1229.0 181:361.0 182:673.0 183:324.0 184:55.0 185:102.0 188:142.0 189:179.0 190:14.0 193:382.0 195:510.0 196:426.0 197:225.0 199:291.0 200:225.0 202:131.0 203:50.0 204:36.0 208:64.0 209:154.0 211:3817.0 212:1086.0 213:1221.0 214:176.0 215:217.0 217:580.0 218:180.0 219:544.0 220:167.0 221:239.0 222:62.0 223:31.0 224:202.0 225:4.0 227:106.0 229:4330.0 230:1020.0 231:518.0 232:233.0 233:1.0 238:58.0 239:20387.0 240:5176.0 241:2170.0 242:262.0 244:201.0 246:76.0 248:63.0 249:48.0 253:139.0 254:625.0 255:415.0 256:132.0 257:263.0 258:14.0 263:422.0 267:142.0 268:4.0 269:17.0 270:79.0 271:2170.0 272:545.0 273:272.0 274:238.0 275:73.0 277:11.0 278:52.0 280:13.0 281:8.0 282:1.0 285:378.0 286:307.0 287:190.0 290:47.0 291:61.0 293:154.0 296:35.0 297:5.0 298:30.0 300:24.0 301:15.0 304:1.0 309:40.0 310:23.0 313:11.0 315:72.0 316:162.0 317:47.0 318:35.0 319:61.0 320:58.0 321:51.0 323:16.0 327:752.0 328:388.0 329:122.0 331:17.0 332:6.0 334:22.0 337:3.0 338:63.0 339:10.0 340:68.0 341:86.0 342:4279.0 343:1246.0 344:663.0 345:85.0 356:15.0 361:7.0 362:17.0 363:56.0 364:2.0 365:42.0 366:20.0 367:26.0 377:28.0 378:2.0 379:15.0 380:32.0 381:9.0 385:35.0 394:5.0 401:54.0 402:3.0 403:8.0 404:8.0 408:7.0 409:10.0 410:8.0 411:11.0 413:20.0 415:26.0 417:8.0 423:4.0 425:6.0 427:6.0 437:15.0 438:9.0 445:1.0 454:1.0 466:6.0 469:3.0 480:1.0 481:8.0 483:2.0 487:28.0 489:21.0 490:2.0 493:3.0 494:3.0 496:10.0 497:3.0 500:2.0 1057 C01108 WQGWDDDVZFFDIG-UHFFFAOYSA-N p-tolyl glucuronide 847531 180 31571 85:38.0 90:94.0 91:487.0 92:20.0 95:109.0 99:194.0 100:40.0 101:209.0 103:262.0 104:8.0 105:161.0 107:419.0 108:504.0 109:7.0 111:16.0 115:92.0 116:144.0 117:277.0 119:85.0 123:28.0 124:4.0 125:16.0 126:18.0 129:852.0 130:3.0 131:126.0 132:138.0 133:629.0 134:38.0 135:134.0 136:31.0 137:2.0 140:46.0 141:110.0 142:46.0 143:830.0 144:58.0 145:211.0 147:2446.0 148:270.0 149:358.0 151:19.0 153:188.0 157:77.0 158:22.0 161:23.0 165:780.0 166:117.0 167:20.0 169:1977.0 170:269.0 171:174.0 173:32.0 175:20.0 179:39.0 180:2205.0 181:346.0 182:158.0 183:16.0 184:23.0 185:153.0 187:1.0 189:196.0 190:58.0 191:117.0 193:7.0 194:6.0 197:43.0 203:60.0 204:124.0 205:38.0 207:114.0 209:41.0 215:16.0 216:1.0 217:992.0 218:154.0 219:89.0 221:17.0 222:44.0 225:40.0 227:1.0 229:53.0 231:43.0 232:32.0 241:46.0 243:189.0 244:67.0 245:76.0 246:2.0 247:26.0 253:14.0 257:782.0 258:157.0 259:101.0 261:1.0 265:16.0 270:2.0 275:5.0 282:36.0 285:81.0 287:31.0 291:13.0 305:145.0 306:1.0 319:34.0 320:16.0 323:13.0 327:12.0 331:85.0 332:63.0 333:110.0 334:40.0 335:38.0 341:11.0 342:34.0 345:18.0 347:53.0 349:40.0 355:16.0 374:48.0 375:1142.0 376:452.0 377:176.0 378:62.0 386:1.0 388:1.0 390:6.0 402:5.0 403:25.0 406:11.0 412:7.0 416:10.0 419:1.0 422:4.0 425:2.0 445:5.0 449:14.0 461:5.0 464:9.0 470:13.0 154035 JPAUCQAJHLSMQW-XPORZQOISA-N pseudo uridine 813899 217 1688 86:237.0 88:11.0 89:59.0 98:89.0 99:253.0 100:1259.0 101:467.0 102:246.0 103:1528.0 104:31.0 105:44.0 106:207.0 107:166.0 109:7.0 110:112.0 111:375.0 113:146.0 114:80.0 115:64.0 116:328.0 117:474.0 118:55.0 122:3.0 124:1.0 125:164.0 127:342.0 128:214.0 129:1201.0 130:286.0 131:481.0 132:107.0 133:1244.0 134:252.0 136:17.0 137:5.0 140:118.0 141:89.0 142:644.0 143:887.0 144:172.0 145:62.0 147:4539.0 148:445.0 149:337.0 150:116.0 151:2.0 154:38.0 155:24.0 157:175.0 158:206.0 159:110.0 160:40.0 161:40.0 164:26.0 166:61.0 168:25.0 169:17.0 171:22.0 172:115.0 173:30.0 174:800.0 175:136.0 176:8.0 177:65.0 178:6.0 180:1.0 181:7.0 182:1.0 183:6.0 185:91.0 189:243.0 190:16.0 191:131.0 192:29.0 193:107.0 194:34.0 195:53.0 196:10.0 197:1.0 198:16.0 201:467.0 202:66.0 203:3.0 204:120.0 213:11.0 214:36.0 215:679.0 216:135.0 217:14462.0 218:2884.0 219:1244.0 220:165.0 221:79.0 222:23.0 223:5.0 228:1.0 230:434.0 231:113.0 232:18.0 233:3.0 239:74.0 240:30.0 241:38.0 243:3.0 251:47.0 253:18.0 254:44.0 255:82.0 256:3.0 257:7.0 262:17.0 265:47.0 267:239.0 268:17.0 269:572.0 270:83.0 271:29.0 272:1.0 280:32.0 281:81.0 282:61.0 283:191.0 284:39.0 285:39.0 286:16.0 291:38.0 295:4.0 297:21.0 311:58.0 323:17.0 328:25.0 341:13.0 355:312.0 356:157.0 357:1485.0 358:449.0 359:217.0 360:14.0 369:51.0 370:56.0 371:256.0 372:97.0 383:208.0 384:50.0 385:1.0 386:80.0 395:23.0 409:27.0 411:194.0 412:15.0 424:660.0 425:232.0 426:124.0 427:8.0 440:9.0 443:16.0 446:23.0 453:1.0 473:10.0 495:30.0 496:59.0 498:10.0 499:21.0 500:38.0 15047 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N pinitol 622466 260 16544 85:9395.0 86:1247.0 87:3795.0 88:1582.0 89:101591.0 90:8600.0 91:6349.0 92:451.0 93:526.0 94:227.0 95:1533.0 96:175.0 97:1364.0 98:1082.0 99:8159.0 100:1129.0 101:11924.0 102:3254.0 103:78294.0 104:7604.0 105:5939.0 106:408.0 107:576.0 108:301.0 109:3162.0 110:453.0 111:5748.0 112:942.0 113:3906.0 114:782.0 115:5105.0 116:17470.0 117:11099.0 118:1686.0 119:8789.0 120:980.0 121:694.0 122:26.0 123:511.0 124:135.0 125:1071.0 126:454.0 127:4572.0 128:1170.0 129:87537.0 130:9735.0 131:38797.0 132:5617.0 133:129920.0 134:16710.0 135:9102.0 136:754.0 137:526.0 138:109.0 139:962.0 140:301.0 141:1680.0 142:2349.0 143:23890.0 144:4151.0 145:7226.0 146:8952.0 147:230536.0 148:34787.0 149:22811.0 150:2500.0 151:1736.0 152:235.0 153:1575.0 154:559.0 155:3267.0 156:1784.0 157:9843.0 158:1369.0 159:64757.0 160:8439.0 161:6534.0 162:981.0 163:25547.0 164:4100.0 165:2318.0 166:430.0 167:453.0 168:204.0 169:2143.0 170:490.0 171:843.0 172:1922.0 173:2837.0 174:467.0 175:3970.0 176:558.0 177:17928.0 178:3079.0 179:1869.0 180:320.0 181:1348.0 182:408.0 183:979.0 184:133.0 185:3165.0 186:544.0 187:1067.0 188:287.0 189:8851.0 190:8045.0 191:79970.0 192:14144.0 193:6677.0 194:846.0 195:340.0 196:145.0 197:1057.0 198:232.0 199:489.0 200:155.0 201:1125.0 202:197.0 203:5077.0 204:26887.0 205:17549.0 206:4688.0 207:36882.0 208:6467.0 209:3213.0 210:448.0 211:363.0 212:111.0 213:889.0 214:233.0 215:2748.0 216:980.0 217:108708.0 218:22146.0 219:10422.0 220:2034.0 221:10727.0 222:2624.0 223:1505.0 224:277.0 225:169.0 226:76.0 227:489.0 228:334.0 229:836.0 230:4830.0 231:4664.0 232:1121.0 233:22289.0 234:4616.0 235:2668.0 236:379.0 237:510.0 238:92.0 239:941.0 240:177.0 241:344.0 242:307.0 243:5995.0 244:1469.0 245:4922.0 246:1840.0 247:32786.0 248:7184.0 249:3418.0 250:479.0 251:379.0 252:114.0 253:76.0 254:296.0 255:1836.0 256:432.0 257:941.0 258:151.0 259:1422.0 260:81723.0 261:20002.0 262:7817.0 263:1391.0 264:374.0 265:11689.0 266:3035.0 267:1667.0 268:277.0 269:329.0 270:345.0 271:1991.0 272:415.0 273:441.0 274:97.0 275:151.0 276:69.0 277:342.0 278:275.0 279:255.0 280:72.0 281:59.0 282:14.0 283:16.0 284:47.0 285:1856.0 286:517.0 287:628.0 288:154.0 289:138.0 290:82.0 291:3234.0 292:1178.0 293:2162.0 294:573.0 295:387.0 296:70.0 297:54.0 298:9.0 301:106.0 302:101.0 303:336.0 304:1033.0 305:27696.0 306:8655.0 307:4661.0 308:941.0 309:844.0 310:161.0 311:70.0 312:22.0 313:65.0 314:43.0 315:166.0 316:126.0 317:2104.0 318:40629.0 319:14413.0 320:6941.0 321:1662.0 322:461.0 323:117.0 324:37.0 325:25.0 326:13.0 327:201.0 328:174.0 329:341.0 330:175.0 331:872.0 332:440.0 333:318.0 334:358.0 335:2341.0 336:700.0 337:327.0 338:89.0 339:29.0 340:51.0 341:80.0 342:468.0 343:13857.0 344:5095.0 345:4184.0 346:1172.0 347:437.0 348:239.0 349:117.0 350:40.0 356:11.0 357:14.0 358:107.0 359:2547.0 360:988.0 361:921.0 362:218.0 363:111.0 366:37.0 367:2470.0 368:885.0 369:557.0 370:105.0 373:282.0 374:7800.0 375:4989.0 376:2076.0 377:600.0 378:193.0 379:78.0 380:19.0 382:23.0 385:6.0 389:8.0 390:7.0 391:52.0 392:87.0 393:352.0 394:162.0 395:89.0 400:8.0 403:3.0 404:54.0 405:44.0 406:104.0 407:31.0 412:4.0 416:8.0 417:754.0 418:369.0 419:586.0 420:247.0 421:85.0 422:18.0 431:250.0 432:4798.0 433:6249.0 434:3182.0 435:1368.0 436:340.0 437:147.0 438:21.0 448:322.0 449:5265.0 450:2659.0 451:1279.0 452:351.0 453:93.0 454:4.0 458:5.0 464:37.0 465:29.0 466:5.0 467:13.0 479:9.0 480:12.0 164619 C03844 DSCFFEYYQKSRSV-FEPQRWDDSA-N phosphate 348274 314 34092 85:21470.0 86:739.0 87:25996.0 88:12812.0 89:30708.0 90:8818.0 91:18646.0 92:3578.0 93:4459.0 94:1276.0 95:2003.0 96:5008.0 97:1907.0 98:4346.0 99:7599.0 101:663.0 102:1041.0 103:94171.0 104:21169.0 105:59291.0 106:9882.0 107:27201.0 108:3143.0 109:8424.0 112:1438.0 113:1951.0 115:119007.0 116:21156.0 117:61050.0 118:12929.0 119:88455.0 120:15540.0 121:64232.0 122:8493.0 123:26913.0 124:2838.0 125:2361.0 126:2107.0 128:187.0 129:3103.0 131:98807.0 132:3187.0 133:510381.0 134:68370.0 135:184876.0 136:21216.0 137:86720.0 138:9924.0 139:10026.0 140:1869.0 141:2.0 142:1737.0 143:4273.0 144:1322.0 145:9333.0 146:1269.0 147:48304.0 148:11133.0 149:16391.0 150:10847.0 151:68218.0 152:9856.0 153:13776.0 154:2934.0 155:210.0 156:426.0 158:1926.0 159:5340.0 160:2321.0 161:7218.0 162:3169.0 163:18790.0 164:4696.0 165:39321.0 166:10207.0 167:30945.0 168:4660.0 169:4626.0 170:1879.0 172:1005.0 174:244.0 175:4247.0 176:7022.0 177:27918.0 178:10933.0 179:30635.0 180:9442.0 181:83389.0 182:14061.0 183:27034.0 184:3673.0 185:3765.0 186:288.0 187:1751.0 188:2382.0 189:9814.0 190:6137.0 191:174283.0 192:38668.0 193:193826.0 194:40417.0 195:48998.0 196:10382.0 197:12866.0 198:4479.0 199:4123.0 200:2692.0 201:3340.0 202:2855.0 203:4293.0 204:984.0 205:32689.0 206:10727.0 207:197186.0 208:44318.0 209:35745.0 210:11460.0 211:279697.0 212:45703.0 213:26349.0 214:4351.0 215:2130.0 216:1827.0 217:1425.0 218:1246.0 219:1513.0 220:1190.0 221:21135.0 222:5618.0 223:5350.0 224:2382.0 225:98971.0 226:20497.0 227:32562.0 228:6030.0 229:3075.0 230:1257.0 231:988.0 232:817.0 233:620.0 234:776.0 235:832.0 236:501.0 237:1830.0 238:909.0 239:4308.0 240:11.0 241:1323.0 242:434.0 243:512.0 244:379.0 245:1321.0 246:604.0 247:513.0 248:387.0 249:343.0 250:292.0 251:587.0 252:1414.0 253:11236.0 254:3559.0 255:8764.0 256:3322.0 257:1860.0 258:992.0 259:503.0 260:523.0 261:1290.0 262:527.0 263:664.0 264:589.0 265:508.0 266:607.0 267:9420.0 268:4163.0 269:20046.0 270:5571.0 271:2935.0 272:1177.0 273:749.0 274:690.0 275:869.0 276:566.0 277:613.0 278:602.0 279:647.0 280:583.0 281:513.0 282:715.0 283:94079.0 284:32769.0 285:16120.0 286:3803.0 287:1296.0 288:551.0 289:803.0 290:883.0 291:1106.0 292:1199.0 293:931.0 294:1128.0 295:1122.0 296:870.0 297:1858.0 298:15565.0 299:982893.0 300:275891.0 301:170200.0 302:36341.0 303:14376.0 304:5785.0 305:7517.0 306:6409.0 307:7633.0 308:7355.0 309:7534.0 310:7315.0 311:6384.0 312:5341.0 313:10092.0 314:238820.0 315:70163.0 316:39670.0 317:12592.0 318:7453.0 319:5896.0 320:6410.0 321:6072.0 322:6142.0 323:5749.0 324:6050.0 325:6061.0 326:5831.0 327:5100.0 328:3940.0 329:3322.0 330:3149.0 331:2704.0 332:1698.0 333:1200.0 334:1061.0 335:1004.0 336:982.0 337:893.0 338:918.0 339:726.0 340:859.0 341:809.0 342:699.0 343:581.0 344:303.0 345:301.0 346:383.0 347:303.0 348:81.0 349:179.0 350:90.0 351:29.0 356:45.0 359:30.0 360:3.0 361:11.0 362:62.0 363:80.0 364:57.0 365:22.0 366:9.0 373:411.0 374:168.0 375:65.0 378:44.0 379:74.0 380:6.0 381:1.0 386:60.0 387:293.0 388:75.0 389:62.0 393:7.0 395:33.0 397:88.0 412:3.0 429:5.0 444:7.0 446:25.0 455:6.0 459:2.0 461:116.0 462:14.0 463:16.0 497:2.0 1004 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N phenol 218927 151 31889 91:2045.0 92:161.0 93:334.0 94:209.0 95:2491.0 96:415.0 97:231.0 105:135.0 106:56.0 110:100.0 111:75.0 112:21.0 120:80.0 121:643.0 122:37.0 123:637.0 124:89.0 125:41.0 131:307.0 132:52.0 134:140.0 135:1287.0 136:193.0 137:125.0 145:37.0 149:73.0 150:28.0 151:15374.0 152:2150.0 153:646.0 154:68.0 166:3125.0 167:465.0 168:102.0 170:10.0 174:109.0 189:40.0 246:20.0 287:37.0 300:22.0 317:16.0 324:18.0 341:9.0 421:39.0 424:20.0 427:19.0 448:25.0 461:37.0 473:18.0 477:29.0 478:16.0 492:15.0 996 C00146 ISWSIDIOOBJBQZ-UHFFFAOYSA-N p-cresol 280360 165 16321 85:286.0 86:127.0 89:1119.0 90:283.0 91:12035.0 92:977.0 93:220.0 95:661.0 97:48.0 100:35.0 101:41.0 102:3.0 103:566.0 104:194.0 105:1358.0 106:129.0 107:939.0 108:174.0 109:1304.0 110:198.0 111:8.0 116:61.0 119:166.0 120:79.0 121:303.0 122:20.0 123:105.0 127:98.0 130:438.0 131:212.0 132:26.0 133:15.0 134:340.0 135:3194.0 136:474.0 137:541.0 138:60.0 145:240.0 146:84.0 147:687.0 148:91.0 149:1552.0 150:342.0 151:97.0 159:3.0 160:32.0 161:74.0 162:19.0 163:603.0 164:145.0 165:18040.0 166:2808.0 167:734.0 168:44.0 171:37.0 172:2.0 177:110.0 179:59.0 180:5161.0 181:899.0 182:171.0 184:285.0 230:7.0 235:2.0 240:1.0 243:3.0 244:6.0 246:3.0 247:3.0 255:30.0 271:2.0 283:3.0 291:23.0 298:9.0 302:4.0 303:4.0 305:13.0 306:7.0 309:8.0 326:9.0 334:21.0 352:13.0 363:1.0 370:10.0 372:7.0 401:2.0 414:5.0 441:11.0 445:7.0 457:4.0 461:10.0 470:8.0 2879 C01468 WVDDGKGOMKODPV-UHFFFAOYSA-N oxoproline 485935 156 10 85:3305.0 86:3646.0 88:224.0 89:349.0 92:90.0 93:31.0 94:268.0 97:300.0 98:1005.0 99:1224.0 100:2213.0 101:88.0 102:773.0 103:769.0 104:198.0 105:507.0 106:72.0 108:279.0 109:95.0 110:674.0 111:220.0 112:3321.0 113:1081.0 114:1752.0 115:792.0 116:101.0 117:1281.0 118:207.0 119:332.0 122:383.0 123:65.0 124:48.0 126:536.0 127:49.0 128:356.0 129:115.0 130:114.0 131:2158.0 132:618.0 133:4526.0 134:754.0 135:255.0 137:24.0 138:84.0 139:101.0 141:560.0 142:564.0 144:150.0 145:44.0 147:25073.0 148:3867.0 149:1964.0 150:231.0 151:110.0 152:34.0 153:44.0 154:924.0 155:543.0 156:125259.0 157:16525.0 158:5271.0 159:295.0 161:60.0 168:216.0 170:226.0 172:75.0 173:47.0 174:264.0 179:19.0 184:105.0 186:103.0 187:45.0 190:138.0 191:44.0 193:24.0 198:10.0 200:33.0 201:26.0 202:22.0 203:17.0 208:35.0 213:44.0 214:995.0 215:198.0 216:25.0 223:14.0 224:15.0 225:28.0 227:32.0 228:286.0 229:106.0 230:4024.0 231:965.0 232:370.0 233:55.0 234:53.0 235:19.0 239:27.0 240:29.0 241:28.0 242:9.0 243:34.0 244:41.0 248:17.0 249:23.0 250:33.0 252:30.0 254:23.0 256:70.0 257:53.0 258:5230.0 259:951.0 260:512.0 261:125.0 262:25.0 266:32.0 268:21.0 270:17.0 273:170.0 274:55.0 275:38.0 276:17.0 279:40.0 280:23.0 281:27.0 284:8.0 286:17.0 287:13.0 292:13.0 312:27.0 318:27.0 330:8.0 351:24.0 366:15.0 369:20.0 373:33.0 374:31.0 375:28.0 376:17.0 378:14.0 381:13.0 384:20.0 387:16.0 388:20.0 392:21.0 396:15.0 412:13.0 419:20.0 422:26.0 426:29.0 428:23.0 432:27.0 433:22.0 437:22.0 439:22.0 441:13.0 445:22.0 447:13.0 449:23.0 452:14.0 453:14.0 454:19.0 455:26.0 459:17.0 461:21.0 462:19.0 463:33.0 464:26.0 467:24.0 468:18.0 469:26.0 475:23.0 486:26.0 492:20.0 493:22.0 7405 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N oxalic acid 260513 190 4923 85:642.0 86:564.0 88:852.0 89:2725.0 90:394.0 91:354.0 92:72.0 93:452.0 95:374.0 99:782.0 100:169.0 101:3135.0 102:7162.0 103:10813.0 104:1629.0 105:3087.0 106:416.0 107:839.0 108:169.0 109:471.0 110:173.0 111:137.0 113:787.0 114:94.0 115:3681.0 116:1325.0 117:6042.0 118:1002.0 119:1067.0 120:91.0 121:33.0 122:65.0 123:314.0 124:97.0 125:300.0 129:68.0 130:184.0 131:11895.0 132:2017.0 133:14362.0 134:1936.0 135:1055.0 136:250.0 137:6022.0 138:535.0 139:6282.0 140:477.0 141:375.0 146:275.0 147:223008.0 148:34909.0 149:18131.0 150:1859.0 151:357.0 152:13.0 153:79.0 154:4.0 159:65.0 163:10.0 165:77.0 167:6803.0 168:578.0 169:6792.0 170:580.0 171:173.0 174:7.0 175:4902.0 176:927.0 177:389.0 178:20.0 180:11.0 181:1.0 184:160.0 185:18.0 190:9140.0 191:1763.0 192:814.0 193:63.0 195:15.0 199:5.0 209:920.0 210:86.0 211:929.0 212:66.0 219:4986.0 220:960.0 221:355.0 222:27.0 483:4.0 971 C00209 MUBZPKHOEPUJKR-UHFFFAOYSA-N N-carbamylglutamate 651275 257 31579 85:444.0 86:356.0 87:75.0 88:49.0 89:402.0 90:65.0 91:36.0 94:105.0 95:68.0 97:120.0 98:161.0 99:285.0 100:1587.0 101:506.0 102:225.0 104:30.0 105:120.0 106:9.0 107:51.0 111:88.0 112:137.0 113:218.0 114:194.0 115:122.0 116:276.0 117:663.0 118:50.0 119:162.0 121:22.0 122:5.0 123:62.0 124:2.0 125:34.0 127:425.0 128:75.0 129:844.0 130:79.0 131:492.0 132:93.0 133:678.0 134:230.0 135:61.0 138:8.0 139:18.0 140:127.0 141:77.0 142:134.0 143:246.0 144:1.0 146:12.0 147:3313.0 148:264.0 149:469.0 154:31.0 155:110.0 156:417.0 157:245.0 158:61.0 159:87.0 161:56.0 163:44.0 164:2.0 166:43.0 167:29.0 168:44.0 169:232.0 170:20.0 171:36.0 172:130.0 173:145.0 174:379.0 175:126.0 177:68.0 179:92.0 181:29.0 183:295.0 184:115.0 185:15.0 186:1.0 188:59.0 189:266.0 192:23.0 194:11.0 197:29.0 198:41.0 200:8.0 201:77.0 202:10.0 203:57.0 204:302.0 205:104.0 206:76.0 207:27.0 213:16.0 214:155.0 215:54.0 217:1021.0 218:218.0 219:140.0 222:18.0 226:21.0 227:12.0 228:34.0 229:295.0 230:1114.0 231:168.0 232:95.0 233:45.0 238:7.0 239:27.0 241:97.0 242:59.0 243:252.0 244:132.0 245:73.0 246:22.0 247:6.0 250:11.0 252:33.0 255:98.0 256:119.0 257:2356.0 258:584.0 259:243.0 260:35.0 261:12.0 262:42.0 263:7.0 267:161.0 268:39.0 270:17.0 271:41.0 272:5.0 275:9.0 277:12.0 283:48.0 285:74.0 286:12.0 289:12.0 292:11.0 293:7.0 294:5.0 300:47.0 301:29.0 303:75.0 304:12.0 305:47.0 306:1.0 308:18.0 309:48.0 314:20.0 317:18.0 319:86.0 321:25.0 322:9.0 324:33.0 327:4.0 328:3.0 329:17.0 330:12.0 331:73.0 332:88.0 333:25.0 334:47.0 336:10.0 337:42.0 344:66.0 346:48.0 347:8.0 350:9.0 351:11.0 352:5.0 354:8.0 358:12.0 362:21.0 365:18.0 366:33.0 370:14.0 371:34.0 372:28.0 373:469.0 374:205.0 375:78.0 376:11.0 377:21.0 380:7.0 382:1.0 385:2.0 386:1.0 387:27.0 388:362.0 389:153.0 390:62.0 391:10.0 396:4.0 401:11.0 402:6.0 408:8.0 410:16.0 411:5.0 418:8.0 420:18.0 421:3.0 424:11.0 428:3.0 431:5.0 434:2.0 437:5.0 441:11.0 443:22.0 445:17.0 454:3.0 456:1.0 466:6.0 467:19.0 468:8.0 472:5.0 473:7.0 481:2.0 483:16.0 484:1.0 485:1.0 492:33.0 494:19.0 496:8.0 498:1.0 499:2.0 121396 C05829 LCQLHJZYVOQKHU-VKHMYHEASA-N N-acetylmannosamine 735323 319 3244 85:1141.0 86:451.0 87:885.0 88:794.0 89:7966.0 90:778.0 91:624.0 93:87.0 94:49.0 95:261.0 96:255.0 97:763.0 98:285.0 99:645.0 100:1414.0 101:2282.0 102:588.0 103:22851.0 104:2059.0 105:1722.0 106:141.0 108:12.0 109:340.0 110:235.0 111:311.0 113:842.0 114:5548.0 115:953.0 116:1164.0 117:12085.0 118:1540.0 119:1530.0 120:118.0 123:92.0 125:29.0 126:101.0 127:736.0 128:479.0 129:16363.0 130:2769.0 131:3417.0 132:431.0 133:8669.0 134:1093.0 135:600.0 136:274.0 137:5.0 139:62.0 140:139.0 141:130.0 142:782.0 143:1998.0 144:409.0 145:352.0 147:34899.0 148:5155.0 149:3377.0 150:418.0 151:193.0 152:89.0 153:168.0 154:195.0 155:622.0 156:297.0 157:11501.0 158:1661.0 159:724.0 160:38.0 161:175.0 162:49.0 163:784.0 164:135.0 165:26.0 166:128.0 168:56.0 169:2443.0 170:701.0 171:279.0 172:1561.0 173:1892.0 174:529.0 175:589.0 176:16.0 177:281.0 178:121.0 183:206.0 185:187.0 186:211.0 187:130.0 188:158.0 189:2914.0 190:964.0 191:2818.0 192:435.0 193:117.0 198:101.0 199:157.0 201:952.0 202:442.0 203:577.0 204:3303.0 205:19104.0 206:3604.0 207:1792.0 208:237.0 213:83.0 214:273.0 215:234.0 216:677.0 217:12330.0 218:2551.0 219:1112.0 220:118.0 221:479.0 222:97.0 223:134.0 227:59.0 228:85.0 229:3168.0 230:1099.0 231:800.0 232:210.0 233:179.0 234:98.0 235:30.0 236:1.0 237:32.0 240:19.0 241:107.0 242:102.0 243:881.0 244:413.0 245:282.0 246:65.0 247:249.0 248:26.0 250:16.0 256:197.0 257:61.0 258:30.0 259:204.0 260:98.0 261:1.0 262:2213.0 263:821.0 264:233.0 265:114.0 266:28.0 268:43.0 269:62.0 271:483.0 272:140.0 273:27.0 274:28.0 275:34.0 277:510.0 278:100.0 279:35.0 286:16.0 288:110.0 289:79.0 291:733.0 292:149.0 293:92.0 299:4.0 300:14.0 302:81.0 304:20.0 305:851.0 306:228.0 307:374.0 308:114.0 310:21.0 311:97.0 312:28.0 313:22.0 316:54.0 317:102.0 318:260.0 319:15684.0 320:4677.0 321:2091.0 322:400.0 323:73.0 324:10.0 328:54.0 330:6.0 331:169.0 332:167.0 333:211.0 334:32.0 335:98.0 336:167.0 337:60.0 338:23.0 345:14.0 346:37.0 348:1.0 356:16.0 357:9.0 361:1273.0 362:393.0 363:171.0 364:33.0 365:39.0 372:15.0 374:45.0 376:258.0 377:65.0 402:57.0 448:33.0 461:20.0 466:12.0 478:24.0 483:13.0 439281 C00645 OVRNDRQMDRJTHS-ZTVVOAFPSA-N n-acetyl-d-hexosamine 746341 319 1674 85:448.0 86:230.0 88:655.0 89:9641.0 90:778.0 99:345.0 100:2544.0 101:2131.0 102:964.0 103:45456.0 104:4561.0 105:1970.0 106:10.0 113:655.0 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243:281.0 244:337.0 245:241.0 246:244.0 247:585.0 248:53.0 249:3.0 252:30.0 254:23.0 256:243.0 257:86.0 258:37.0 259:277.0 260:290.0 261:124.0 262:1263.0 263:852.0 264:230.0 265:196.0 268:524.0 269:33.0 270:76.0 272:17.0 273:49.0 274:85.0 275:144.0 276:11.0 277:721.0 278:238.0 279:75.0 283:27.0 284:17.0 287:12.0 288:322.0 289:64.0 291:947.0 292:273.0 293:35.0 294:15.0 300:28.0 302:483.0 303:144.0 304:89.0 305:879.0 306:331.0 307:946.0 308:293.0 309:42.0 311:28.0 312:10.0 314:49.0 315:2.0 316:42.0 318:281.0 319:26076.0 320:7869.0 321:3845.0 322:694.0 323:135.0 330:16.0 331:70.0 332:259.0 333:136.0 334:342.0 335:197.0 336:81.0 342:80.0 343:31.0 344:117.0 347:24.0 348:15.0 364:42.0 373:17.0 376:29.0 381:7.0 386:18.0 391:22.0 402:144.0 406:2.0 419:16.0 463:22.0 24139 C03878 OVRNDRQMDRJTHS-FMDGEEDCSA-N N-acetylaspartic acid 548028 158 4081 85:424.0 86:274.0 87:183.0 88:123.0 93:100.0 94:61.0 95:123.0 98:237.0 99:211.0 100:820.0 101:420.0 102:186.0 103:219.0 104:72.0 107:36.0 109:95.0 110:133.0 111:191.0 112:302.0 113:107.0 114:107.0 115:220.0 116:1962.0 117:4292.0 118:543.0 119:205.0 120:45.0 121:29.0 123:35.0 124:18.0 128:132.0 129:1942.0 130:860.0 131:1103.0 132:1033.0 133:678.0 134:131.0 135:58.0 137:52.0 138:25.0 139:83.0 141:46.0 142:642.0 143:109.0 144:1199.0 145:624.0 146:252.0 147:1572.0 148:266.0 149:297.0 151:35.0 155:93.0 156:56.0 157:132.0 158:3465.0 159:580.0 160:1711.0 161:203.0 162:102.0 163:31.0 166:17.0 167:26.0 170:34.0 171:110.0 172:201.0 173:129.0 174:83.0 179:19.0 184:139.0 185:132.0 186:262.0 187:147.0 201:162.0 202:982.0 203:136.0 204:70.0 207:49.0 214:212.0 215:44.0 216:38.0 217:182.0 222:28.0 227:15.0 228:17.0 229:99.0 230:19.0 232:51.0 233:19.0 234:40.0 235:17.0 236:14.0 242:21.0 245:363.0 246:110.0 247:42.0 251:20.0 253:25.0 254:20.0 255:19.0 257:566.0 258:149.0 259:66.0 262:25.0 263:36.0 265:28.0 266:28.0 271:16.0 272:24.0 273:14.0 274:14.0 275:127.0 276:121.0 279:26.0 283:20.0 285:18.0 287:39.0 292:20.0 297:17.0 298:16.0 300:31.0 304:317.0 309:24.0 311:29.0 319:21.0 321:12.0 326:19.0 327:27.0 328:17.0 329:21.0 331:14.0 332:24.0 335:39.0 338:13.0 342:20.0 344:20.0 345:12.0 346:20.0 348:16.0 350:21.0 351:22.0 354:35.0 356:22.0 357:25.0 359:21.0 360:22.0 361:30.0 362:28.0 363:17.0 367:14.0 369:32.0 370:21.0 374:31.0 377:32.0 378:26.0 380:24.0 382:30.0 386:17.0 389:13.0 390:19.0 395:19.0 397:26.0 399:21.0 403:19.0 405:20.0 407:29.0 409:37.0 428:32.0 432:28.0 436:23.0 437:38.0 443:18.0 444:13.0 447:26.0 449:24.0 450:22.0 451:30.0 452:20.0 455:34.0 459:41.0 468:31.0 473:35.0 477:20.0 486:20.0 488:23.0 491:13.0 497:26.0 500:15.0 65065 C01042 OTCCIMWXFLJLIA-BYPYZUCNSA-N myo-inositol 730022 305 1741 85:113.0 86:491.0 87:31.0 88:19.0 89:298.0 90:43.0 95:6.0 99:170.0 100:411.0 101:320.0 102:164.0 103:3399.0 104:366.0 105:2.0 107:22.0 108:49.0 109:262.0 111:243.0 112:149.0 113:176.0 114:90.0 115:187.0 116:296.0 117:1042.0 118:228.0 119:212.0 121:1.0 123:6.0 124:38.0 125:22.0 126:73.0 127:67.0 128:163.0 129:4240.0 130:611.0 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272:45.0 274:3.0 279:20.0 289:1.0 291:437.0 292:80.0 293:120.0 297:3.0 298:227.0 299:108.0 301:104.0 303:79.0 305:5040.0 306:1576.0 307:694.0 308:57.0 309:60.0 312:9.0 316:7.0 317:110.0 318:2317.0 319:848.0 320:390.0 321:73.0 322:29.0 324:10.0 327:4.0 330:51.0 331:6.0 332:17.0 343:14.0 353:16.0 354:55.0 360:1.0 367:360.0 368:76.0 369:43.0 371:3.0 373:39.0 374:49.0 379:15.0 382:80.0 385:33.0 393:92.0 394:22.0 395:3.0 403:4.0 404:4.0 405:15.0 412:14.0 418:12.0 420:32.0 422:3.0 432:284.0 433:196.0 434:130.0 437:1.0 442:52.0 443:101.0 445:21.0 446:5.0 448:2.0 455:30.0 456:22.0 458:46.0 464:5.0 478:1.0 483:6.0 892 C00137 CDAISMWEOUEBRE-UHFFFAOYSA-N malic acid 463180 233 1391 85:66.0 87:316.0 88:106.0 89:148.0 90:42.0 95:37.0 99:129.0 101:4462.0 102:488.0 103:641.0 104:93.0 105:294.0 115:533.0 116:432.0 117:2305.0 118:259.0 119:501.0 120:70.0 121:62.0 124:21.0 129:385.0 131:1945.0 132:129.0 133:6850.0 134:1075.0 135:667.0 136:51.0 137:33.0 139:20.0 142:41.0 143:745.0 144:107.0 145:145.0 147:21089.0 148:2969.0 149:2528.0 150:99.0 151:286.0 153:24.0 158:12.0 159:29.0 163:56.0 171:746.0 172:65.0 173:152.0 174:39.0 175:1710.0 176:253.0 177:569.0 178:101.0 185:29.0 189:1905.0 190:1476.0 191:1353.0 192:105.0 193:115.0 203:199.0 204:80.0 205:117.0 206:14.0 207:77.0 217:657.0 219:91.0 220:35.0 221:361.0 222:30.0 226:29.0 233:2954.0 234:575.0 235:253.0 236:55.0 245:1680.0 246:276.0 247:169.0 251:18.0 259:16.0 260:68.0 263:317.0 264:135.0 265:542.0 266:32.0 267:81.0 268:33.0 274:13.0 286:17.0 291:28.0 305:75.0 306:146.0 307:460.0 308:93.0 309:61.0 312:12.0 319:144.0 320:48.0 321:21.0 324:26.0 335:201.0 336:131.0 337:48.0 342:19.0 344:33.0 348:21.0 352:19.0 353:20.0 355:17.0 366:24.0 368:29.0 369:15.0 371:25.0 377:16.0 380:20.0 395:9.0 411:23.0 413:12.0 415:19.0 416:19.0 423:31.0 427:13.0 443:17.0 447:16.0 454:16.0 455:15.0 456:33.0 464:16.0 466:14.0 473:12.0 474:15.0 499:28.0 525 C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-N lyxitol 573587 217 233 85:649.0 86:59.0 87:142.0 88:75.0 89:607.0 95:25.0 97:25.0 99:247.0 100:57.0 101:550.0 102:92.0 103:6136.0 104:480.0 105:198.0 106:44.0 111:98.0 112:73.0 113:193.0 114:48.0 115:140.0 116:225.0 117:3144.0 118:289.0 119:258.0 120:15.0 127:102.0 129:2235.0 130:260.0 131:777.0 133:1341.0 134:87.0 135:42.0 141:89.0 143:195.0 144:16.0 145:61.0 147:6082.0 148:964.0 149:538.0 150:39.0 151:43.0 157:231.0 158:21.0 160:137.0 177:54.0 189:540.0 190:85.0 191:309.0 203:174.0 204:488.0 205:1376.0 206:216.0 207:96.0 217:3703.0 218:809.0 219:291.0 220:32.0 221:109.0 225:17.0 226:17.0 231:27.0 233:18.0 243:85.0 244:50.0 258:24.0 261:22.0 265:13.0 267:18.0 277:132.0 278:58.0 279:41.0 280:13.0 287:16.0 289:17.0 306:27.0 307:408.0 308:138.0 309:59.0 319:290.0 320:103.0 321:74.0 358:14.0 372:24.0 439255 C00532 HEBKCHPVOIAQTA-IMJSIDKUSA-N lysine 663483 156 12 85:2755.0 86:29130.0 87:3786.0 88:12077.0 89:1291.0 90:709.0 92:136.0 93:103.0 94:668.0 95:313.0 96:506.0 97:609.0 98:2819.0 99:1955.0 100:31497.0 101:4429.0 102:7671.0 103:3645.0 104:565.0 105:379.0 106:83.0 107:97.0 108:128.0 109:134.0 110:753.0 111:416.0 112:6522.0 113:2018.0 114:7116.0 115:10574.0 116:3465.0 117:4929.0 118:1028.0 119:900.0 120:191.0 121:127.0 123:145.0 124:606.0 125:212.0 126:2585.0 127:890.0 128:26290.0 129:4466.0 130:10847.0 131:6738.0 132:4508.0 133:6149.0 134:1147.0 135:446.0 136:164.0 137:87.0 138:490.0 139:364.0 140:4779.0 141:959.0 142:2987.0 143:733.0 144:945.0 145:366.0 146:4631.0 147:19359.0 148:3405.0 149:2181.0 150:370.0 151:803.0 152:303.0 153:342.0 154:12756.0 155:4130.0 156:76791.0 157:11196.0 158:4511.0 159:694.0 160:1657.0 161:389.0 162:279.0 163:194.0 164:207.0 165:79.0 166:971.0 167:543.0 168:665.0 169:235.0 170:669.0 171:213.0 172:2443.0 173:538.0 174:56553.0 175:9869.0 176:4416.0 177:481.0 178:80.0 179:20.0 180:41.0 181:86.0 182:316.0 183:184.0 184:486.0 185:201.0 186:1848.0 187:494.0 188:654.0 189:497.0 190:228.0 191:1071.0 192:171.0 193:95.0 196:57.0 198:177.0 199:144.0 200:4730.0 201:916.0 202:1665.0 203:494.0 204:290.0 205:118.0 206:87.0 207:45.0 212:365.0 213:404.0 214:1612.0 215:693.0 216:761.0 217:481.0 218:2436.0 219:842.0 220:589.0 221:357.0 222:91.0 223:85.0 224:57.0 225:87.0 226:147.0 227:253.0 228:3361.0 229:965.0 230:9677.0 231:2065.0 232:926.0 233:166.0 234:84.0 235:45.0 236:25.0 237:33.0 238:339.0 239:231.0 240:411.0 241:153.0 242:132.0 243:169.0 244:261.0 245:108.0 246:149.0 247:62.0 248:108.0 249:44.0 250:50.0 252:44.0 253:45.0 254:1013.0 255:485.0 256:307.0 257:183.0 258:311.0 259:140.0 260:184.0 261:68.0 262:81.0 266:91.0 267:49.0 269:68.0 271:69.0 272:363.0 273:584.0 274:308.0 275:95.0 276:49.0 285:15.0 286:23.0 288:52.0 289:58.0 291:32.0 292:18.0 295:17.0 299:46.0 300:27.0 301:76.0 302:142.0 303:70.0 304:99.0 305:35.0 314:22.0 315:52.0 316:163.0 317:9077.0 318:3043.0 319:1317.0 320:285.0 321:73.0 322:19.0 326:18.0 327:34.0 328:63.0 329:762.0 330:344.0 331:155.0 332:56.0 334:20.0 335:20.0 337:28.0 338:20.0 343:19.0 346:16.0 347:42.0 349:20.0 351:18.0 352:15.0 353:17.0 354:22.0 356:91.0 358:26.0 361:25.0 362:33.0 363:32.0 365:20.0 366:23.0 367:29.0 368:14.0 369:34.0 371:31.0 372:23.0 373:22.0 374:31.0 376:27.0 377:24.0 382:23.0 384:22.0 385:22.0 391:133.0 392:93.0 393:29.0 395:17.0 397:25.0 398:16.0 401:21.0 406:23.0 408:14.0 409:19.0 416:16.0 417:14.0 418:40.0 419:156.0 420:97.0 422:18.0 423:30.0 424:15.0 425:15.0 427:23.0 432:30.0 433:63.0 434:524.0 435:309.0 436:172.0 437:60.0 438:30.0 441:28.0 443:12.0 446:23.0 447:26.0 449:14.0 450:20.0 451:22.0 452:31.0 455:19.0 457:30.0 458:22.0 459:18.0 461:20.0 463:15.0 464:21.0 465:13.0 467:39.0 468:12.0 469:30.0 473:16.0 476:20.0 482:14.0 484:28.0 485:18.0 491:18.0 493:21.0 494:13.0 5962 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N levoglucosan 569637 204 3169 85:775.0 87:165.0 88:163.0 89:177.0 90:42.0 91:21.0 92:2.0 95:13.0 97:132.0 98:53.0 99:731.0 100:180.0 101:2830.0 102:212.0 103:5456.0 104:270.0 105:366.0 109:317.0 111:424.0 112:33.0 113:818.0 114:131.0 115:724.0 116:1575.0 117:3643.0 118:337.0 119:568.0 120:38.0 125:69.0 126:44.0 127:263.0 129:5991.0 130:703.0 131:1830.0 132:221.0 133:3867.0 134:297.0 135:293.0 136:48.0 139:2.0 140:20.0 141:67.0 142:707.0 143:2053.0 144:218.0 145:219.0 147:6558.0 148:1314.0 149:885.0 150:45.0 151:30.0 152:134.0 153:72.0 155:1046.0 156:182.0 157:445.0 158:17.0 159:278.0 160:29.0 161:875.0 162:43.0 163:220.0 167:4.0 169:385.0 170:170.0 171:723.0 172:115.0 173:207.0 174:103.0 175:87.0 177:350.0 178:62.0 179:1.0 183:160.0 184:145.0 185:57.0 187:32.0 189:3977.0 190:805.0 191:2782.0 192:423.0 193:60.0 197:9.0 199:273.0 200:41.0 201:12.0 203:130.0 204:14366.0 205:2838.0 206:1173.0 215:94.0 216:36.0 217:10683.0 218:2168.0 219:865.0 220:238.0 229:39.0 230:12.0 231:181.0 232:38.0 233:36.0 242:41.0 243:548.0 244:83.0 245:150.0 246:42.0 260:134.0 261:58.0 262:3.0 273:79.0 317:106.0 318:9.0 332:69.0 333:1176.0 334:345.0 335:138.0 2724705 TWNIBLMWSKIRAT-VFUOTHLCSA-N lactic acid 217657 191 80 85:8684.0 86:6573.0 87:72227.0 88:111565.0 89:22391.0 90:1554.0 91:2622.0 92:778.0 93:502.0 94:4760.0 95:1164.0 96:739.0 97:892.0 98:246.0 99:4891.0 100:2372.0 101:61750.0 102:48891.0 103:46949.0 104:6822.0 105:17397.0 106:1817.0 107:2274.0 108:297.0 109:91.0 111:450.0 113:4576.0 114:1039.0 115:35415.0 116:15880.0 117:1091636.0 118:122979.0 119:56962.0 120:3499.0 121:613.0 126:206.0 127:1515.0 128:232.0 129:21595.0 130:2560.0 131:73022.0 132:12571.0 133:150112.0 134:23790.0 135:12422.0 136:1035.0 137:319.0 141:59.0 143:703.0 144:379.0 145:1599.0 146:1603.0 147:1233845.0 148:206049.0 149:109315.0 150:10259.0 151:1388.0 159:535.0 161:458.0 162:131.0 163:508.0 164:179.0 167:62.0 170:79.0 171:131.0 172:124.0 173:211.0 175:8086.0 176:1623.0 177:440.0 180:153.0 181:108.0 182:125.0 183:84.0 184:1130.0 185:407.0 186:223.0 187:68.0 188:179.0 189:308.0 190:122494.0 191:195244.0 192:43519.0 193:16179.0 194:1913.0 195:299.0 196:58.0 203:6144.0 204:1185.0 205:467.0 206:152.0 207:160.0 208:134.0 209:142.0 211:171.0 212:129.0 214:35.0 217:659.0 218:304.0 219:43925.0 220:8054.0 221:3693.0 222:384.0 223:113.0 227:50.0 231:26.0 233:188.0 239:54.0 240:82.0 241:90.0 243:54.0 245:37.0 246:66.0 247:151.0 248:86.0 251:57.0 252:72.0 255:78.0 258:43.0 259:64.0 260:10.0 261:69.0 263:74.0 265:105.0 266:36.0 267:120.0 268:79.0 269:53.0 270:54.0 272:51.0 274:55.0 276:12.0 278:89.0 280:107.0 281:146.0 282:99.0 283:61.0 284:76.0 285:69.0 287:47.0 290:58.0 291:70.0 292:65.0 293:81.0 295:71.0 299:107.0 300:77.0 305:70.0 307:98.0 309:67.0 312:50.0 313:86.0 314:73.0 315:86.0 317:80.0 318:45.0 319:86.0 321:31.0 322:58.0 323:91.0 324:88.0 325:90.0 326:67.0 327:87.0 329:88.0 334:40.0 335:60.0 337:75.0 338:77.0 342:93.0 343:72.0 345:69.0 346:101.0 347:63.0 348:101.0 349:62.0 350:96.0 352:95.0 353:57.0 356:62.0 357:42.0 362:89.0 363:60.0 364:36.0 365:78.0 366:76.0 367:64.0 368:45.0 371:46.0 372:84.0 373:71.0 375:56.0 376:94.0 380:41.0 382:65.0 383:40.0 384:63.0 385:74.0 387:90.0 388:11.0 389:71.0 390:27.0 392:37.0 393:38.0 394:9.0 395:62.0 396:80.0 398:44.0 400:22.0 402:42.0 403:66.0 405:84.0 407:69.0 408:46.0 409:72.0 411:61.0 412:42.0 413:8.0 414:27.0 416:57.0 417:72.0 418:61.0 419:57.0 420:71.0 421:83.0 425:77.0 426:36.0 427:72.0 428:67.0 431:69.0 433:99.0 434:90.0 435:22.0 436:72.0 439:58.0 440:47.0 442:55.0 444:77.0 447:79.0 449:57.0 451:58.0 452:82.0 453:65.0 454:26.0 456:80.0 457:46.0 458:58.0 459:89.0 460:46.0 463:78.0 466:51.0 467:57.0 469:65.0 470:40.0 472:49.0 473:25.0 474:70.0 476:64.0 477:13.0 478:94.0 480:69.0 481:62.0 482:64.0 483:42.0 485:69.0 486:83.0 490:47.0 491:78.0 493:76.0 494:26.0 495:85.0 496:86.0 500:27.0 612 C01432 JVTAAEKCZFNVCJ-UHFFFAOYSA-N isothreonic acid 489385 292 1679 85:304.0 86:391.0 88:631.0 89:4158.0 90:414.0 91:179.0 92:233.0 93:215.0 94:45.0 96:145.0 97:116.0 98:15.0 99:816.0 100:110.0 101:2762.0 102:21122.0 103:20966.0 104:2634.0 105:1408.0 106:64.0 107:560.0 108:290.0 109:71.0 110:395.0 111:105.0 113:1032.0 114:253.0 115:1508.0 116:877.0 117:33848.0 118:3267.0 119:2907.0 120:140.0 121:96.0 122:8.0 124:18.0 125:13.0 127:531.0 128:50.0 129:6995.0 130:17816.0 131:9728.0 132:2127.0 133:13693.0 134:2261.0 135:1252.0 136:37.0 137:70.0 141:279.0 143:5323.0 144:512.0 145:511.0 146:508.0 147:89541.0 148:14484.0 149:8621.0 150:1069.0 151:554.0 152:43.0 153:93.0 154:4.0 155:7.0 157:903.0 159:246.0 161:501.0 162:71.0 163:1006.0 164:236.0 165:241.0 166:13.0 167:3.0 168:40.0 169:26.0 170:89.0 172:176.0 173:230.0 175:799.0 176:118.0 177:3522.0 178:628.0 179:286.0 180:26.0 181:74.0 185:128.0 186:51.0 187:91.0 188:52.0 189:4147.0 190:923.0 191:1643.0 192:325.0 193:329.0 194:77.0 195:56.0 199:88.0 200:80.0 201:125.0 202:1.0 203:1318.0 204:2518.0 205:17229.0 206:3365.0 207:2844.0 208:477.0 209:217.0 210:57.0 211:49.0 212:26.0 213:1.0 215:166.0 216:68.0 217:14540.0 218:2990.0 219:1780.0 220:18784.0 221:7856.0 222:2654.0 223:859.0 224:149.0 225:56.0 226:73.0 229:1.0 230:18.0 231:282.0 232:47.0 233:93.0 234:31.0 235:42.0 237:190.0 238:29.0 239:10.0 243:2.0 244:29.0 245:1906.0 246:476.0 247:394.0 248:48.0 249:40.0 251:6.0 252:11.0 253:11.0 255:6.0 257:1.0 262:17.0 263:57.0 265:42.0 267:123.0 268:27.0 270:12.0 276:37.0 277:610.0 278:168.0 279:84.0 281:28.0 283:114.0 290:42.0 291:2248.0 292:22023.0 293:6532.0 294:3129.0 295:766.0 296:201.0 297:48.0 300:12.0 305:306.0 306:53.0 307:114.0 309:3.0 312:27.0 313:2.0 319:1701.0 320:478.0 321:327.0 322:69.0 323:68.0 325:132.0 328:1.0 334:26.0 339:20.0 341:97.0 342:22.0 343:12.0 347:2.0 349:1.0 351:1.0 354:22.0 355:72.0 356:1.0 361:7.0 364:30.0 370:1.0 371:73.0 372:66.0 373:46.0 379:358.0 380:187.0 381:71.0 382:9.0 390:2.0 400:4.0 408:17.0 409:469.0 410:241.0 411:68.0 412:15.0 418:19.0 419:1.0 427:17.0 431:24.0 448:47.0 450:22.0 467:17.0 468:1.0 472:23.0 475:13.0 480:2.0 492:6.0 151152 C00639 JPIJQSOTBSSVTP-GBXIJSLDSA-N isohexonic acid 698302 333 100866 85:4516.0 86:1527.0 87:7244.0 88:3762.0 89:20346.0 90:1668.0 91:1161.0 92:385.0 93:296.0 94:327.0 95:832.0 96:443.0 97:3951.0 98:678.0 99:5414.0 100:1202.0 101:19281.0 102:19463.0 103:145699.0 104:14299.0 105:7979.0 106:535.0 107:1368.0 108:238.0 109:357.0 110:174.0 111:2060.0 112:443.0 113:4047.0 114:728.0 115:6155.0 116:5400.0 117:71550.0 118:7479.0 119:7784.0 120:708.0 121:457.0 122:71.0 123:259.0 124:139.0 125:757.0 126:430.0 127:2683.0 128:684.0 129:52214.0 130:14079.0 131:28017.0 132:4539.0 133:52707.0 134:6969.0 135:4442.0 136:377.0 137:346.0 138:125.0 139:271.0 140:260.0 141:1695.0 142:1224.0 143:32451.0 144:3975.0 145:3735.0 146:863.0 147:302515.0 148:46818.0 149:31672.0 150:3062.0 151:1525.0 152:206.0 153:1863.0 154:434.0 155:1006.0 156:587.0 157:22594.0 158:2634.0 159:2454.0 160:362.0 161:1900.0 162:418.0 163:2712.0 164:457.0 165:327.0 166:113.0 167:150.0 168:119.0 169:5145.0 170:908.0 171:5586.0 172:759.0 173:1532.0 174:375.0 175:4617.0 176:853.0 177:2120.0 178:399.0 179:310.0 180:151.0 181:215.0 182:136.0 183:338.0 184:206.0 185:555.0 186:204.0 187:564.0 188:221.0 189:35656.0 190:9154.0 191:17814.0 192:2971.0 193:1738.0 194:299.0 195:122.0 196:119.0 197:2601.0 198:397.0 199:356.0 200:149.0 201:1292.0 202:588.0 203:2636.0 204:27189.0 205:62463.0 206:13493.0 207:10555.0 208:1621.0 209:782.0 210:195.0 211:140.0 212:65.0 213:254.0 214:217.0 215:1288.0 216:592.0 217:77350.0 218:16976.0 219:13477.0 220:4181.0 221:13929.0 222:3071.0 223:1629.0 224:365.0 225:243.0 226:108.0 227:822.0 228:251.0 229:7050.0 230:1931.0 231:3220.0 232:1037.0 233:636.0 234:181.0 235:218.0 236:180.0 237:145.0 238:181.0 239:101.0 240:134.0 241:960.0 242:356.0 243:1933.0 244:806.0 245:4473.0 246:1083.0 247:1020.0 248:298.0 249:246.0 250:109.0 251:176.0 252:70.0 253:133.0 254:104.0 255:170.0 256:85.0 257:713.0 258:232.0 259:933.0 260:282.0 261:281.0 262:104.0 263:504.0 264:254.0 265:917.0 266:344.0 267:231.0 268:76.0 269:1304.0 270:386.0 271:745.0 272:244.0 273:317.0 274:40.0 275:82.0 276:175.0 277:10637.0 278:3741.0 279:1964.0 280:526.0 281:221.0 282:24.0 283:81.0 284:43.0 285:116.0 286:61.0 287:165.0 288:117.0 289:226.0 290:171.0 291:5313.0 292:43850.0 293:14631.0 294:6640.0 295:1458.0 296:362.0 297:73.0 298:23.0 299:75.0 300:36.0 301:151.0 303:355.0 304:839.0 305:27544.0 306:10022.0 307:9312.0 308:2495.0 309:988.0 310:155.0 311:87.0 312:57.0 313:39.0 314:89.0 315:995.0 316:460.0 317:797.0 318:1072.0 319:27789.0 320:9253.0 321:5902.0 322:1471.0 323:485.0 324:120.0 325:103.0 326:61.0 329:65.0 330:181.0 331:2892.0 332:2166.0 333:39868.0 334:14092.0 335:6491.0 336:1490.0 337:282.0 338:139.0 339:62.0 340:62.0 342:56.0 343:613.0 344:347.0 345:2653.0 346:879.0 347:640.0 348:245.0 349:67.0 351:178.0 352:75.0 354:78.0 355:44.0 356:39.0 357:78.0 358:367.0 359:7197.0 360:2732.0 361:1246.0 362:338.0 363:114.0 365:25.0 366:98.0 367:193.0 368:110.0 370:46.0 375:39.0 378:108.0 379:689.0 380:436.0 381:115.0 382:91.0 384:67.0 389:335.0 390:277.0 391:173.0 392:194.0 393:732.0 394:692.0 395:415.0 396:167.0 397:115.0 398:24.0 399:64.0 403:61.0 404:106.0 405:873.0 406:875.0 407:860.0 408:384.0 409:233.0 410:52.0 411:83.0 412:39.0 413:39.0 415:42.0 417:42.0 419:109.0 421:206.0 422:364.0 423:2672.0 424:1437.0 425:733.0 426:231.0 432:442.0 433:4846.0 434:2906.0 435:3989.0 436:1877.0 437:861.0 438:314.0 439:130.0 441:28.0 442:33.0 443:20.0 447:126.0 448:176.0 449:183.0 450:81.0 451:44.0 452:68.0 457:45.0 458:35.0 459:46.0 462:39.0 463:34.0 465:38.0 466:39.0 467:102.0 468:43.0 469:76.0 471:26.0 473:60.0 474:50.0 478:39.0 481:30.0 482:49.0 483:20.0 484:33.0 485:44.0 486:31.0 491:37.0 493:103.0 494:135.0 495:114.0 496:71.0 497:41.0 498:44.0 604 RGHNJXZEOKUKBD-UHFFFAOYSA-N isocitric acid 616323 245 12267 89:522.0 90:180.0 95:584.0 97:191.0 98:207.0 99:600.0 101:378.0 102:3.0 103:489.0 106:964.0 109:156.0 112:78.0 113:859.0 114:122.0 116:611.0 118:39.0 119:171.0 121:116.0 125:52.0 127:331.0 128:413.0 129:390.0 133:1883.0 136:574.0 140:130.0 143:846.0 144:381.0 145:464.0 147:7317.0 148:543.0 149:1044.0 150:416.0 151:31.0 155:15.0 156:300.0 157:980.0 158:167.0 159:58.0 161:79.0 163:99.0 167:4.0 169:358.0 174:23.0 177:527.0 179:51.0 182:73.0 186:562.0 187:271.0 189:171.0 190:155.0 191:751.0 203:478.0 204:1106.0 205:217.0 206:37.0 209:96.0 212:147.0 213:334.0 214:84.0 215:194.0 217:603.0 218:16.0 219:418.0 221:318.0 222:144.0 225:13.0 230:115.0 232:51.0 234:1.0 237:28.0 241:124.0 243:85.0 245:8570.0 246:2271.0 247:891.0 248:163.0 249:9.0 251:4.0 252:3.0 256:29.0 259:158.0 260:70.0 261:13.0 262:5.0 265:158.0 268:5.0 269:1.0 271:22.0 272:235.0 274:378.0 275:413.0 276:136.0 282:1.0 283:17.0 284:12.0 285:346.0 286:125.0 287:187.0 289:72.0 290:20.0 291:63.0 292:1.0 297:26.0 298:2.0 299:57.0 303:320.0 304:99.0 306:54.0 308:37.0 310:49.0 313:28.0 317:41.0 318:40.0 319:3146.0 320:1387.0 321:547.0 322:126.0 323:20.0 325:164.0 331:31.0 334:73.0 337:59.0 338:19.0 339:3.0 341:157.0 347:108.0 348:287.0 349:44.0 351:12.0 356:1.0 362:1.0 365:106.0 374:20.0 375:437.0 376:528.0 377:261.0 378:55.0 379:33.0 384:10.0 388:1.0 389:6.0 390:207.0 391:62.0 394:46.0 395:19.0 398:32.0 401:44.0 410:1.0 413:1.0 419:9.0 429:2.0 434:2.0 438:32.0 444:1.0 460:1.0 464:62.0 465:82.0 466:49.0 467:32.0 468:41.0 475:8.0 477:1.0 480:1.0 481:31.0 483:1.0 489:1.0 499:1.0 5318532 C00451 ODBLHEXUDAPZAU-ZAFYKAAXSA-N indoxyl sulfate 577333 277 31543 85:106.0 86:115.0 87:397.0 89:367.0 90:218.0 91:314.0 92:133.0 93:435.0 95:66.0 98:81.0 102:189.0 103:726.0 104:409.0 105:728.0 106:257.0 107:328.0 108:72.0 109:26.0 110:29.0 114:22.0 115:197.0 116:67.0 118:213.0 119:1492.0 120:307.0 121:100.0 128:66.0 129:195.0 130:1028.0 131:317.0 132:529.0 133:648.0 134:1668.0 135:299.0 136:94.0 138:1.0 142:21.0 143:214.0 144:213.0 145:375.0 146:681.0 150:37.0 156:65.0 158:243.0 159:64.0 160:354.0 161:126.0 162:1020.0 163:2413.0 164:307.0 165:63.0 169:8.0 170:170.0 171:46.0 172:235.0 173:40.0 174:617.0 175:87.0 176:53.0 177:160.0 178:32.0 179:39.0 184:149.0 186:216.0 187:107.0 188:601.0 189:211.0 190:87.0 193:28.0 195:1.0 200:60.0 202:1265.0 203:406.0 204:847.0 205:1350.0 206:248.0 216:47.0 218:165.0 219:34.0 220:13.0 230:38.0 232:665.0 233:164.0 234:372.0 235:95.0 236:20.0 246:854.0 247:352.0 248:104.0 256:23.0 260:28.0 262:874.0 263:224.0 264:61.0 276:1647.0 277:9099.0 278:2627.0 279:1013.0 280:140.0 281:13.0 294:5.0 338:4.0 353:1.0 383:5.0 395:2.0 10258 BXFFHSIDQOFMLE-UHFFFAOYSA-N indole-3-acetate 684929 202 69 85:142.0 87:38.0 89:42.0 91:40.0 100:21.0 101:105.0 102:208.0 105:43.0 115:43.0 116:34.0 119:53.0 121:26.0 128:130.0 129:377.0 130:199.0 131:197.0 133:47.0 145:101.0 148:147.0 157:44.0 160:50.0 161:30.0 167:14.0 169:17.0 170:37.0 172:34.0 174:29.0 184:57.0 186:179.0 187:57.0 200:136.0 201:41.0 202:3519.0 203:606.0 204:162.0 217:45.0 226:14.0 228:28.0 276:55.0 319:239.0 320:67.0 321:16.0 330:17.0 331:20.0 335:20.0 356:23.0 376:13.0 475:14.0 802 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N hypoxanthine 619128 265 1663 85:17650.0 86:12163.0 87:3151.0 88:967.0 89:1497.0 90:1362.0 91:1011.0 92:2327.0 93:2705.0 94:2109.0 95:8249.0 96:4731.0 97:4274.0 98:10523.0 99:10631.0 100:18705.0 101:4328.0 102:2856.0 103:1825.0 104:825.0 105:732.0 106:877.0 107:1246.0 108:1010.0 109:1929.0 110:7804.0 111:16720.0 112:8157.0 113:3184.0 114:2386.0 115:2768.0 116:1782.0 117:3672.0 118:1096.0 119:3047.0 120:887.0 121:1152.0 122:1601.0 123:7675.0 124:5924.0 125:27347.0 126:4669.0 127:1631.0 128:4687.0 129:757.0 130:3064.0 131:18005.0 132:5577.0 133:6437.0 134:1529.0 135:1034.0 136:2233.0 137:1880.0 138:8120.0 139:6776.0 140:1825.0 141:1929.0 142:12534.0 143:3438.0 144:1712.0 145:493.0 146:711.0 147:19727.0 148:4999.0 149:2359.0 150:4433.0 151:2592.0 152:7155.0 153:4871.0 154:2331.0 155:1643.0 156:2287.0 157:2149.0 158:22398.0 159:5210.0 160:2267.0 161:502.0 162:394.0 163:1842.0 164:1604.0 165:5114.0 166:21893.0 167:4343.0 168:2152.0 169:1875.0 170:2814.0 171:2433.0 172:25772.0 173:12314.0 174:8155.0 175:2628.0 176:1019.0 177:4304.0 178:1275.0 179:2286.0 180:8006.0 181:23910.0 182:4922.0 183:2543.0 184:916.0 185:769.0 186:465.0 187:209.0 188:189.0 189:326.0 190:187.0 191:7629.0 192:5425.0 193:30133.0 194:5220.0 195:2554.0 196:864.0 197:3961.0 198:1176.0 199:496.0 200:988.0 201:248.0 202:221.0 204:217.0 205:1352.0 206:35628.0 207:20005.0 208:10550.0 209:2627.0 210:1084.0 211:5263.0 212:1486.0 213:820.0 214:538.0 215:156.0 216:489.0 217:174.0 218:225.0 219:297.0 220:262.0 221:828.0 222:4925.0 223:4441.0 224:3263.0 225:1129.0 226:661.0 227:351.0 228:97.0 229:195.0 230:147.0 231:207.0 232:151.0 233:193.0 234:205.0 235:2975.0 236:1563.0 237:1821.0 238:11769.0 239:5264.0 240:1756.0 241:760.0 242:212.0 243:89.0 244:140.0 247:92.0 248:185.0 249:7113.0 250:2098.0 251:1656.0 252:1217.0 253:658.0 254:322.0 255:148.0 256:80.0 257:318.0 258:415.0 259:325.0 260:58.0 261:87.0 262:19.0 263:758.0 264:1686.0 265:252895.0 266:61751.0 267:24493.0 268:4214.0 269:475.0 270:207.0 271:223.0 272:227.0 273:16.0 274:264.0 275:322.0 276:174.0 277:136.0 278:39.0 279:8482.0 280:83394.0 281:21166.0 282:8018.0 283:1374.0 284:256.0 285:53.0 286:24.0 288:20.0 292:8.0 295:2.0 296:6.0 297:44.0 298:3.0 299:123.0 302:23.0 307:16.0 309:19.0 312:47.0 313:19.0 314:10.0 315:37.0 316:36.0 318:3.0 323:6.0 326:15.0 330:75.0 331:14.0 332:11.0 334:6.0 335:10.0 337:1.0 338:11.0 341:13.0 349:23.0 350:3.0 353:2.0 357:26.0 358:20.0 361:14.0 365:12.0 366:8.0 370:30.0 374:5.0 376:44.0 377:17.0 379:9.0 396:3.0 399:1.0 406:24.0 410:1.0 417:1.0 420:111.0 421:43.0 422:7.0 428:1.0 434:1.0 436:10.0 438:6.0 440:1.0 442:12.0 447:6.0 448:10.0 451:7.0 453:4.0 457:16.0 462:11.0 466:2.0 468:29.0 486:17.0 488:2.0 492:4.0 497:1.0 790 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N hydroxyproline dipeptide NIST 879596 156 12279 85:108.0 89:442.0 90:929.0 91:7042.0 92:694.0 95:17.0 98:75.0 104:67.0 107:625.0 108:53.0 110:1059.0 112:106.0 113:27.0 114:85.0 115:1214.0 116:1135.0 117:310.0 118:765.0 120:53.0 126:133.0 128:728.0 129:265.0 130:402.0 131:480.0 133:5.0 139:185.0 140:303.0 141:15.0 142:112.0 144:931.0 145:21.0 146:309.0 148:383.0 149:410.0 155:1421.0 156:7231.0 157:1158.0 158:899.0 159:77.0 160:331.0 161:34.0 170:7.0 171:8.0 172:8.0 173:679.0 174:195.0 175:511.0 176:23.0 182:22.0 183:177.0 186:94.0 188:174.0 189:76.0 190:51.0 192:336.0 193:85.0 198:3.0 199:119.0 200:103.0 201:281.0 202:199.0 203:129.0 206:41.0 208:637.0 209:172.0 210:95.0 215:17.0 216:64.0 217:27.0 218:57.0 221:219.0 222:6.0 223:143.0 226:2.0 227:152.0 228:60.0 229:120.0 230:628.0 231:120.0 232:163.0 234:293.0 235:78.0 236:63.0 237:9.0 257:15.0 258:120.0 259:48.0 260:96.0 262:15.0 265:374.0 268:67.0 272:144.0 273:141.0 274:87.0 275:108.0 276:36.0 277:35.0 278:414.0 282:61.0 289:150.0 290:25.0 291:1179.0 292:222.0 296:24.0 297:32.0 301:17.0 303:25.0 307:15.0 313:11.0 317:509.0 318:211.0 319:41.0 329:31.0 332:3.0 341:107.0 342:4.0 343:57.0 350:8.0 355:8.0 356:33.0 357:58.0 375:15.0 376:63.0 379:7.0 385:13.0 393:97.0 394:1.0 399:84.0 401:27.0 408:4.0 426:13.0 428:7.0 429:44.0 430:34.0 431:11.0 433:17.0 448:10.0 461:25.0 469:3.0 472:4.0 475:12.0 488:1.0 490:34.0 61159526 HXWNRESJYUCPRA-UHFFFAOYSA-N hexuronic acid 673957 333 14775 85:14.0 86:64.0 87:204.0 88:53.0 89:1102.0 90:64.0 91:56.0 99:34.0 100:167.0 101:92.0 102:311.0 103:1518.0 104:119.0 105:291.0 107:7.0 109:6.0 110:4.0 111:8.0 112:15.0 113:6.0 114:63.0 115:99.0 116:80.0 117:335.0 118:24.0 119:103.0 121:3.0 124:8.0 126:10.0 127:11.0 128:44.0 129:549.0 130:240.0 131:339.0 132:38.0 133:708.0 134:80.0 135:46.0 136:3.0 138:5.0 139:43.0 140:2.0 141:1.0 142:54.0 143:698.0 144:53.0 145:54.0 146:13.0 147:2420.0 148:439.0 149:207.0 150:23.0 151:8.0 153:2.0 155:16.0 156:13.0 157:82.0 158:29.0 160:1441.0 161:242.0 162:40.0 163:68.0 164:2.0 169:150.0 170:97.0 171:155.0 172:78.0 173:49.0 174:52.0 175:162.0 176:17.0 177:54.0 179:59.0 180:4.0 181:3.0 183:36.0 186:11.0 187:3.0 188:16.0 189:519.0 190:109.0 191:83.0 192:35.0 193:2.0 194:2.0 199:2.0 201:19.0 203:75.0 204:214.0 205:154.0 206:23.0 207:16.0 209:1.0 210:5.0 211:1.0 215:23.0 216:23.0 217:1278.0 218:185.0 219:622.0 220:116.0 221:106.0 222:10.0 223:19.0 225:8.0 226:4.0 227:1.0 228:5.0 229:10.0 230:38.0 231:42.0 232:6.0 233:30.0 235:24.0 238:5.0 242:12.0 243:54.0 244:39.0 245:62.0 246:7.0 248:5.0 249:206.0 250:61.0 251:3.0 252:4.0 257:9.0 271:33.0 272:15.0 273:2.0 274:39.0 276:7.0 277:27.0 278:4.0 279:1.0 283:7.0 289:14.0 291:44.0 292:428.0 293:369.0 294:128.0 295:31.0 296:5.0 299:2.0 300:3.0 302:3.0 303:6.0 304:8.0 305:143.0 306:29.0 307:8.0 308:135.0 309:40.0 310:17.0 311:2.0 313:1.0 314:9.0 315:4.0 319:34.0 320:10.0 323:1.0 324:6.0 327:1.0 329:5.0 331:7.0 332:93.0 333:1743.0 334:520.0 335:222.0 336:43.0 337:18.0 339:2.0 345:3.0 346:5.0 347:10.0 356:5.0 358:1.0 360:14.0 361:136.0 362:40.0 363:33.0 369:4.0 373:5.0 382:1.0 387:1.0 388:3.0 390:3.0 394:2.0 410:3.0 412:1.0 414:1.0 418:3.0 423:35.0 424:9.0 425:1.0 426:6.0 427:2.0 434:4.0 438:1.0 439:1.0 441:4.0 444:2.0 447:2.0 451:1.0 460:3.0 467:3.0 469:1.0 472:3.0 474:1.0 475:3.0 476:1.0 481:5.0 484:6.0 485:2.0 489:8.0 495:2.0 499:1.0 500:5.0 IAJILQKETJEXLJ-UHFFFAOYSA-N hexitol 704741 217 255 85:79.0 88:37.0 92:32.0 94:14.0 97:41.0 99:235.0 100:26.0 101:41.0 102:73.0 103:1566.0 104:206.0 105:96.0 109:97.0 110:36.0 111:111.0 112:66.0 113:39.0 114:55.0 115:112.0 116:320.0 117:397.0 118:41.0 119:91.0 127:84.0 129:2437.0 130:240.0 131:990.0 132:120.0 133:2109.0 135:188.0 136:36.0 138:15.0 141:58.0 142:51.0 143:712.0 144:95.0 146:64.0 147:9643.0 148:1032.0 149:1104.0 150:133.0 151:66.0 153:37.0 154:15.0 155:45.0 156:56.0 157:114.0 158:38.0 159:64.0 162:22.0 163:54.0 165:18.0 169:33.0 171:28.0 172:20.0 173:32.0 175:121.0 176:49.0 177:65.0 178:54.0 180:19.0 181:27.0 182:35.0 183:24.0 185:56.0 186:24.0 187:39.0 188:28.0 189:431.0 190:280.0 191:2851.0 192:494.0 193:203.0 194:46.0 195:24.0 196:20.0 199:31.0 202:25.0 203:33.0 204:2084.0 205:484.0 206:209.0 207:184.0 208:54.0 209:29.0 210:49.0 213:49.0 214:30.0 216:52.0 217:4285.0 218:777.0 219:295.0 222:73.0 223:57.0 225:24.0 228:21.0 229:8.0 230:158.0 233:26.0 235:39.0 237:36.0 243:68.0 245:37.0 246:36.0 247:35.0 248:31.0 249:20.0 250:15.0 253:24.0 255:58.0 257:49.0 258:44.0 259:29.0 262:31.0 264:36.0 265:224.0 266:50.0 267:60.0 268:28.0 269:38.0 271:33.0 278:32.0 279:39.0 280:25.0 281:34.0 282:14.0 283:18.0 285:17.0 287:71.0 289:31.0 290:18.0 291:203.0 292:92.0 293:144.0 294:16.0 297:26.0 302:38.0 304:74.0 305:2094.0 306:618.0 307:304.0 314:18.0 317:125.0 318:2595.0 319:905.0 320:416.0 321:110.0 323:29.0 324:22.0 336:25.0 338:25.0 344:38.0 353:16.0 357:21.0 360:29.0 361:29.0 362:27.0 365:15.0 367:52.0 368:39.0 373:25.0 379:31.0 381:27.0 385:15.0 386:24.0 388:23.0 393:128.0 394:66.0 400:21.0 407:31.0 414:47.0 418:36.0 419:13.0 421:18.0 426:34.0 433:58.0 437:23.0 438:24.0 439:24.0 440:21.0 442:30.0 444:25.0 448:31.0 449:48.0 451:28.0 452:18.0 456:19.0 458:26.0 459:31.0 477:24.0 478:17.0 484:34.0 487:27.0 489:20.0 491:18.0 492:17.0 495:28.0 499:13.0 453 C00392 FBPFZTCFMRRESA-UHFFFAOYSA-N glycolic acid 227636 177 1971 86:321.0 87:877.0 88:2215.0 89:1177.0 90:166.0 92:46.0 95:690.0 98:47.0 99:43.0 100:1.0 101:491.0 102:395.0 103:3236.0 104:445.0 105:759.0 106:5.0 107:431.0 110:197.0 113:123.0 114:1.0 115:778.0 116:235.0 117:2708.0 118:351.0 119:694.0 120:123.0 121:18.0 124:3.0 131:2476.0 132:305.0 133:6921.0 134:1259.0 135:297.0 144:1.0 146:382.0 147:57199.0 148:9255.0 149:5731.0 150:464.0 151:221.0 161:3331.0 162:563.0 163:245.0 164:13.0 174:12.0 175:25.0 176:44.0 177:9136.0 178:1499.0 179:744.0 180:12.0 184:100.0 186:21.0 189:5.0 190:199.0 205:5249.0 206:917.0 207:412.0 223:9.0 228:19.0 251:6.0 274:3.0 276:1.0 283:39.0 294:4.0 301:1.0 315:15.0 316:4.0 323:2.0 327:18.0 341:6.0 363:8.0 368:9.0 374:4.0 377:48.0 384:16.0 387:25.0 411:32.0 422:1.0 432:11.0 435:46.0 443:1.0 444:22.0 445:1.0 452:40.0 458:13.0 471:1.0 472:19.0 479:4.0 481:29.0 488:23.0 492:29.0 757 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N glycine 368707 248 6 85:2882.0 86:87494.0 87:10917.0 88:4018.0 89:822.0 92:65.0 93:42.0 94:27.0 95:426.0 96:50.0 97:67.0 99:1489.0 100:53029.0 101:10140.0 102:5892.0 103:928.0 105:1276.0 110:146.0 113:1787.0 114:44.0 115:2820.0 116:1864.0 117:12472.0 118:47.0 119:3422.0 122:40.0 123:85.0 125:63.0 129:156.0 130:9640.0 131:7466.0 132:862.0 133:31722.0 134:5661.0 135:2633.0 144:2949.0 145:349.0 146:1208.0 147:26782.0 148:8179.0 149:5445.0 158:2433.0 159:1298.0 160:2359.0 161:551.0 162:205.0 163:69.0 171:65.0 172:1683.0 174:152336.0 175:28023.0 176:12302.0 177:361.0 178:255.0 187:150.0 188:2043.0 190:449.0 191:115.0 200:60.0 202:783.0 203:236.0 204:837.0 205:85.0 218:58.0 246:286.0 248:21677.0 249:5746.0 250:2638.0 251:499.0 253:40.0 254:32.0 258:17.0 263:51.0 267:29.0 268:34.0 276:4493.0 277:408.0 278:257.0 288:36.0 292:28.0 299:12.0 304:15.0 305:20.0 318:38.0 322:24.0 326:35.0 334:37.0 341:26.0 344:23.0 345:20.0 346:12.0 356:14.0 381:30.0 417:22.0 433:16.0 440:27.0 454:22.0 458:43.0 459:16.0 461:27.0 750 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N glycerol-alpha-phosphate 590747 357 1687 85:750.0 87:846.0 88:468.0 89:1193.0 90:82.0 91:168.0 92:114.0 93:127.0 94:26.0 95:116.0 97:212.0 98:232.0 99:483.0 101:13348.0 102:1461.0 103:9463.0 104:991.0 105:689.0 106:35.0 107:239.0 108:36.0 109:51.0 111:385.0 113:2220.0 114:284.0 115:2195.0 116:2414.0 117:2066.0 118:407.0 119:755.0 120:59.0 121:349.0 122:90.0 123:101.0 125:30.0 127:73.0 129:6764.0 130:1365.0 131:6671.0 132:512.0 133:8224.0 134:1367.0 135:2622.0 136:210.0 137:734.0 138:89.0 139:7.0 141:48.0 143:79.0 145:207.0 147:13466.0 148:1827.0 149:1914.0 150:411.0 151:828.0 152:115.0 153:225.0 154:44.0 155:238.0 156:30.0 157:42.0 158:46.0 159:125.0 160:8.0 161:19.0 162:61.0 163:637.0 164:103.0 165:326.0 166:39.0 167:230.0 168:40.0 169:94.0 170:4.0 171:62.0 175:211.0 176:90.0 177:289.0 178:57.0 179:257.0 180:82.0 181:999.0 182:194.0 183:566.0 184:207.0 189:460.0 190:52.0 191:1442.0 192:315.0 193:1121.0 194:231.0 195:1137.0 196:145.0 197:518.0 199:126.0 201:3.0 202:123.0 203:1065.0 204:682.0 205:689.0 206:138.0 207:3057.0 208:603.0 209:466.0 210:145.0 211:6976.0 212:1053.0 213:701.0 216:20.0 217:432.0 218:1720.0 219:752.0 220:1206.0 221:317.0 222:39.0 224:46.0 225:1468.0 226:607.0 227:1441.0 228:299.0 229:116.0 230:11.0 231:42.0 236:43.0 237:70.0 239:44.0 240:27.0 241:1405.0 242:394.0 243:989.0 244:164.0 245:21.0 246:2.0 248:6.0 249:4.0 250:7.0 251:23.0 252:13.0 253:316.0 254:97.0 255:193.0 256:1782.0 257:228.0 258:143.0 260:22.0 263:17.0 269:309.0 270:47.0 271:11.0 272:490.0 273:59.0 274:22.0 275:22.0 276:4.0 279:1.0 280:12.0 283:423.0 284:131.0 285:1338.0 286:322.0 287:111.0 288:8.0 289:13.0 290:46.0 291:45.0 292:27.0 293:35.0 296:3.0 297:1.0 298:420.0 299:15339.0 300:4161.0 301:2204.0 302:411.0 303:61.0 304:32.0 306:6.0 307:52.0 308:24.0 311:16.0 312:16.0 313:189.0 314:697.0 315:3487.0 316:968.0 317:491.0 318:65.0 319:67.0 327:135.0 328:686.0 329:242.0 330:93.0 331:47.0 332:17.0 337:1.0 338:101.0 341:1109.0 342:424.0 343:246.0 344:53.0 345:24.0 346:36.0 347:11.0 349:43.0 350:21.0 352:26.0 353:9.0 354:1.0 355:12.0 356:210.0 357:9048.0 358:2684.0 359:1369.0 360:281.0 361:84.0 362:307.0 363:42.0 364:51.0 366:36.0 369:22.0 370:1340.0 371:371.0 372:242.0 373:738.0 374:219.0 375:92.0 376:38.0 377:16.0 378:31.0 379:3.0 386:27.0 387:892.0 388:329.0 389:449.0 390:134.0 391:73.0 392:6.0 400:2.0 401:18.0 408:52.0 410:36.0 415:60.0 417:8.0 419:13.0 422:7.0 424:2.0 426:25.0 431:40.0 444:24.0 445:1230.0 446:455.0 447:210.0 448:62.0 449:17.0 450:2.0 456:3.0 467:4.0 484:27.0 487:37.0 490:1.0 495:14.0 499:5.0 754 C03189 AWUCVROLDVIAJX-UHFFFAOYSA-N glycerol-3-galactoside 805227 204 1693 89:176.0 90:53.0 99:49.0 101:827.0 102:83.0 103:3126.0 104:331.0 105:191.0 109:15.0 113:33.0 115:65.0 116:293.0 117:746.0 118:35.0 119:28.0 122:1.0 123:8.0 128:61.0 129:2561.0 130:485.0 131:662.0 132:17.0 133:977.0 135:25.0 141:39.0 142:42.0 143:281.0 147:3311.0 148:255.0 149:318.0 151:50.0 155:78.0 156:127.0 157:175.0 159:38.0 160:42.0 161:110.0 163:57.0 169:415.0 170:55.0 171:14.0 175:57.0 177:95.0 178:6.0 181:20.0 183:17.0 184:41.0 189:512.0 190:82.0 191:714.0 192:62.0 193:30.0 194:15.0 195:17.0 198:1.0 201:39.0 203:302.0 204:10068.0 205:1833.0 206:800.0 207:224.0 208:10.0 209:45.0 211:8.0 213:5.0 214:3.0 215:22.0 217:2108.0 218:578.0 219:643.0 220:158.0 221:106.0 222:54.0 225:9.0 226:2.0 227:28.0 229:56.0 230:52.0 231:100.0 233:28.0 234:43.0 237:27.0 241:22.0 243:204.0 244:45.0 245:57.0 249:12.0 252:2.0 256:6.0 257:1.0 258:20.0 269:2.0 273:2.0 275:27.0 286:3.0 290:4.0 291:75.0 293:51.0 296:37.0 298:1.0 299:174.0 300:41.0 301:10.0 303:31.0 305:53.0 306:21.0 308:13.0 311:24.0 313:1.0 315:106.0 316:33.0 317:39.0 318:11.0 319:57.0 325:12.0 332:38.0 334:19.0 335:32.0 337:639.0 338:125.0 339:45.0 340:45.0 341:45.0 345:44.0 348:7.0 350:28.0 355:12.0 357:25.0 360:57.0 361:130.0 362:65.0 363:10.0 367:37.0 370:22.0 371:8.0 372:9.0 374:24.0 377:15.0 379:11.0 382:9.0 387:53.0 390:12.0 400:31.0 403:15.0 411:14.0 428:14.0 430:1.0 439:12.0 442:22.0 443:9.0 444:6.0 448:3.0 449:17.0 453:3.0 454:13.0 458:21.0 468:26.0 470:5.0 472:11.0 481:37.0 484:9.0 487:7.0 494:16.0 495:17.0 499:30.0 16048618 C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N glycerol 344466 205 30 85:1069.0 86:1979.0 87:2157.0 88:1086.0 89:5466.0 90:494.0 91:283.0 94:134.0 97:170.0 99:483.0 100:547.0 101:7688.0 102:1229.0 103:30772.0 104:2994.0 105:1697.0 106:143.0 108:135.0 109:140.0 111:130.0 112:89.0 113:993.0 114:232.0 115:2539.0 116:2329.0 117:35562.0 118:3659.0 119:3831.0 120:444.0 121:441.0 122:107.0 123:185.0 124:113.0 128:225.0 129:5116.0 130:612.0 131:6207.0 132:1094.0 133:25238.0 134:3729.0 135:2380.0 136:427.0 139:148.0 143:244.0 146:99.0 147:56187.0 148:9192.0 149:6633.0 150:722.0 152:125.0 153:108.0 154:82.0 155:38.0 157:61.0 159:389.0 161:182.0 162:155.0 163:742.0 164:142.0 167:218.0 169:149.0 170:124.0 172:83.0 173:244.0 174:3454.0 175:3869.0 176:705.0 177:2097.0 178:209.0 179:212.0 180:52.0 182:221.0 185:175.0 186:146.0 187:33.0 188:143.0 189:384.0 190:167.0 191:2078.0 192:449.0 196:57.0 198:79.0 199:86.0 200:53.0 203:1850.0 204:2494.0 205:18669.0 206:3433.0 207:1121.0 209:158.0 215:40.0 217:803.0 218:5122.0 219:1032.0 220:397.0 221:185.0 232:51.0 234:25.0 237:49.0 246:9.0 247:26.0 252:59.0 257:68.0 260:59.0 263:56.0 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130:941.0 131:1036.0 133:4658.0 135:416.0 142:23.0 147:8908.0 148:1388.0 149:813.0 157:22.0 158:22.0 159:33.0 161:42.0 162:30.0 163:86.0 166:42.0 175:382.0 176:31.0 177:220.0 189:3993.0 190:816.0 191:384.0 200:21.0 204:145.0 205:651.0 206:186.0 207:46.0 208:59.0 211:24.0 217:219.0 218:46.0 219:121.0 220:23.0 221:61.0 222:50.0 237:34.0 243:25.0 245:26.0 261:32.0 264:27.0 270:30.0 273:47.0 284:30.0 285:37.0 292:1142.0 293:273.0 294:107.0 305:33.0 307:198.0 308:34.0 310:45.0 312:36.0 313:47.0 315:36.0 316:51.0 317:52.0 322:29.0 323:52.0 324:63.0 325:50.0 329:36.0 332:14.0 344:46.0 345:20.0 359:28.0 363:19.0 364:40.0 373:28.0 404:21.0 418:24.0 428:15.0 439:37.0 443:47.0 447:30.0 448:29.0 456:41.0 460:25.0 463:14.0 466:8.0 472:46.0 477:16.0 478:39.0 480:38.0 482:35.0 439194 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N glucose 659798 319 22 85:955.0 86:739.0 87:1963.0 88:1249.0 89:23654.0 90:1741.0 91:1135.0 94:110.0 95:64.0 96:681.0 97:924.0 98:177.0 99:1302.0 100:4269.0 101:5985.0 102:2628.0 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332:126.0 333:414.0 334:86.0 335:190.0 336:17.0 338:2.0 345:8.0 354:24.0 361:149.0 362:11.0 367:2.0 369:12.0 375:1.0 376:6.0 377:12.0 383:2.0 386:28.0 388:1.0 389:6.0 390:3.0 394:19.0 398:3.0 399:13.0 407:15.0 412:1.0 415:3.0 424:1.0 432:26.0 437:10.0 448:46.0 451:23.0 453:1.0 466:55.0 474:13.0 476:12.0 498:37.0 7027 C00198 PHOQVHQSTUBQQK-SQOUGZDYSA-N gluconic acid 693148 333 7501 87:39.0 89:155.0 99:15.0 100:306.0 101:268.0 102:393.0 103:2729.0 104:264.0 105:196.0 109:2.0 111:2.0 113:144.0 116:8.0 117:1117.0 118:12.0 127:30.0 129:1186.0 130:285.0 131:546.0 132:183.0 133:997.0 134:13.0 137:1.0 139:7.0 140:38.0 141:4.0 142:28.0 143:746.0 144:263.0 145:25.0 147:6161.0 148:1144.0 149:642.0 150:39.0 151:46.0 153:74.0 154:66.0 155:3.0 157:599.0 159:89.0 160:27.0 161:88.0 164:14.0 166:16.0 168:50.0 169:102.0 170:4.0 171:328.0 172:130.0 175:132.0 177:22.0 178:40.0 182:6.0 185:1.0 188:12.0 189:815.0 190:148.0 191:208.0 193:71.0 197:104.0 198:5.0 199:1.0 201:22.0 203:114.0 204:678.0 205:1272.0 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256:207.0 257:78.0 258:21.0 259:142.0 260:154.0 261:22.0 262:1126.0 263:251.0 264:63.0 265:80.0 266:54.0 267:37.0 268:194.0 269:465.0 270:190.0 274:1138.0 275:350.0 276:257.0 277:1261.0 278:505.0 279:94.0 286:59.0 288:6.0 290:92.0 291:2273.0 292:684.0 293:370.0 294:80.0 300:407.0 301:127.0 302:192.0 303:23.0 304:119.0 305:1509.0 306:652.0 307:1248.0 308:252.0 309:243.0 310:22.0 314:22.0 315:32.0 317:64.0 318:574.0 319:35941.0 320:11244.0 321:5302.0 322:1070.0 323:305.0 324:13.0 330:54.0 332:10.0 333:71.0 335:18.0 336:4.0 342:46.0 343:396.0 344:235.0 345:107.0 346:30.0 355:12.0 358:136.0 359:77.0 360:10.0 364:748.0 365:297.0 366:141.0 367:8.0 374:315.0 375:137.0 376:248.0 377:64.0 390:60.0 393:15.0 401:22.0 421:9.0 446:4.0 448:17.0 464:79.0 465:26.0 466:117.0 467:4.0 480:2.0 491:1.0 439357 C00984 WQZGKKKJIJFFOK-PHYPRBDBSA-N galactonic acid 690882 292 4706 85:918.0 86:238.0 87:865.0 88:630.0 89:3376.0 90:737.0 91:316.0 95:57.0 96:68.0 97:1011.0 98:413.0 99:1406.0 100:448.0 101:4514.0 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262:700.0 263:180.0 264:51.0 265:151.0 266:48.0 267:2034.0 268:474.0 269:294.0 270:5.0 272:18.0 273:12.0 274:1.0 276:9.0 277:11.0 278:2.0 281:1915.0 282:566.0 283:295.0 290:4.0 295:5.0 299:1.0 305:1.0 320:21.0 322:4.0 323:146.0 324:13.0 325:43.0 339:116.0 340:6.0 347:8.0 355:637.0 356:243.0 357:187.0 360:14.0 386:2.0 405:2.0 424:4.0 427:15.0 428:1.0 443:162.0 444:56.0 445:24.0 446:12.0 5325915 C02341 SGMJBNSHAZVGMC-PWNYCUMCSA-N erythritol 471922 217 92 86:57.0 87:443.0 89:682.0 90:92.0 99:480.0 100:41.0 101:1823.0 103:7046.0 104:676.0 105:300.0 106:59.0 109:27.0 111:45.0 113:474.0 115:473.0 116:1861.0 117:6123.0 118:476.0 119:295.0 127:453.0 129:1559.0 130:129.0 131:448.0 133:1902.0 134:216.0 144:53.0 147:9776.0 148:785.0 149:656.0 158:25.0 159:8.0 163:98.0 169:60.0 174:40.0 175:153.0 176:58.0 177:60.0 183:21.0 189:1255.0 190:194.0 191:893.0 196:28.0 201:50.0 203:23.0 204:946.0 205:2257.0 206:173.0 207:79.0 211:25.0 215:36.0 216:20.0 217:3970.0 218:660.0 219:26.0 221:210.0 222:60.0 223:40.0 225:43.0 233:20.0 236:23.0 240:21.0 241:23.0 246:27.0 249:14.0 250:11.0 251:21.0 260:23.0 261:25.0 278:10.0 280:8.0 293:87.0 294:30.0 296:10.0 305:36.0 307:98.0 322:9.0 343:16.0 428:13.0 463:30.0 475:13.0 488:21.0 222285 C00503 UNXHWFMMPAWVPI-ZXZARUISSA-N diglycerol 591074 103 34153 85:905.0 86:267.0 87:916.0 88:733.0 89:1908.0 90:196.0 91:131.0 92:18.0 93:172.0 94:64.0 95:124.0 97:55.0 98:65.0 99:905.0 100:425.0 101:11757.0 102:1309.0 103:41609.0 104:3967.0 105:1938.0 106:282.0 107:68.0 108:95.0 109:75.0 110:106.0 111:279.0 112:76.0 113:288.0 114:248.0 115:2298.0 116:4465.0 117:13368.0 118:1598.0 119:1251.0 120:68.0 121:193.0 122:90.0 123:11.0 124:35.0 127:50.0 129:14510.0 130:4792.0 131:8043.0 132:1182.0 133:9297.0 134:1591.0 135:853.0 136:175.0 137:41.0 138:26.0 139:3.0 140:116.0 141:80.0 142:98.0 143:2223.0 144:355.0 145:5011.0 146:620.0 147:23463.0 148:3950.0 149:3098.0 150:441.0 151:290.0 152:11.0 153:85.0 154:5.0 155:114.0 156:121.0 157:300.0 158:196.0 159:519.0 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245:73.0 246:28.0 247:47.0 248:29.0 250:33.0 252:13.0 254:42.0 255:29.0 257:242.0 258:289.0 259:370.0 260:198.0 261:75.0 262:33.0 267:18.0 268:8.0 269:78.0 271:85.0 275:48.0 276:36.0 277:19.0 282:26.0 285:60.0 287:14.0 288:22.0 294:37.0 296:17.0 297:24.0 298:38.0 299:53.0 300:11.0 301:29.0 303:316.0 304:324.0 305:286.0 306:106.0 307:62.0 308:25.0 311:23.0 314:27.0 315:49.0 317:61.0 319:56.0 320:26.0 323:18.0 324:24.0 329:8.0 330:75.0 331:480.0 332:4247.0 333:1407.0 334:376.0 335:36.0 337:43.0 343:35.0 345:378.0 346:188.0 350:25.0 354:48.0 357:22.0 358:46.0 359:337.0 360:139.0 361:205.0 362:97.0 363:45.0 371:23.0 374:391.0 382:27.0 394:7.0 395:28.0 398:8.0 408:33.0 410:15.0 415:21.0 419:87.0 421:42.0 422:33.0 425:31.0 437:25.0 438:8.0 447:39.0 448:36.0 449:145.0 451:35.0 462:12.0 473:41.0 475:30.0 499:18.0 54670067 C00072 CIWBSHSKHKDKBQ-JLAZNSOCSA-N alpha-ketoglutarate 507392 198 294 85:208.0 87:154.0 89:4657.0 90:84.0 91:201.0 94:49.0 98:155.0 99:133.0 101:112.0 102:113.0 103:234.0 110:90.0 112:1654.0 113:180.0 114:75.0 115:296.0 118:19.0 125:56.0 126:615.0 128:246.0 129:323.0 131:331.0 133:422.0 135:87.0 142:51.0 143:95.0 144:23.0 145:67.0 147:7768.0 148:1161.0 149:693.0 152:14.0 154:243.0 155:35.0 156:3139.0 157:398.0 158:205.0 159:36.0 160:14.0 161:16.0 163:100.0 170:1125.0 171:173.0 172:311.0 173:128.0 174:90.0 175:31.0 182:102.0 183:89.0 184:104.0 185:35.0 186:1020.0 187:139.0 190:35.0 198:3239.0 199:335.0 200:204.0 201:209.0 202:664.0 203:43.0 204:45.0 206:13.0 214:29.0 229:539.0 230:93.0 268:20.0 272:44.0 273:25.0 288:551.0 289:122.0 304:395.0 305:40.0 306:19.0 450:18.0 458:20.0 51 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N alanine 244189 116 2 85:3158.0 86:13644.0 87:4068.0 88:3439.0 89:983.0 90:196.0 91:253.0 93:372.0 94:6680.0 95:665.0 97:207.0 98:1020.0 99:805.0 100:24444.0 101:7141.0 102:7827.0 103:18348.0 104:1762.0 105:2019.0 107:860.0 110:602.0 112:751.0 113:917.0 114:4190.0 115:4871.0 116:395401.0 117:48488.0 118:16494.0 119:2692.0 120:172.0 127:1339.0 128:5915.0 129:862.0 130:2771.0 131:6829.0 132:2965.0 133:10359.0 134:1720.0 135:1132.0 136:81.0 142:62.0 143:39.0 144:1251.0 145:101.0 146:927.0 147:78930.0 148:12646.0 149:6222.0 150:478.0 151:105.0 158:147.0 160:155.0 161:51.0 167:26.0 172:139.0 174:823.0 175:285.0 176:139.0 178:14.0 188:186.0 190:14341.0 191:3102.0 192:1175.0 193:187.0 199:27.0 200:71.0 203:85.0 216:93.0 218:3500.0 219:651.0 220:269.0 223:21.0 229:19.0 230:13.0 232:73.0 233:81.0 234:29.0 242:26.0 261:24.0 271:29.0 277:32.0 282:19.0 288:15.0 301:22.0 303:30.0 304:32.0 308:16.0 318:26.0 319:31.0 328:24.0 334:37.0 338:19.0 340:31.0 342:29.0 343:17.0 355:18.0 359:33.0 360:27.0 366:25.0 367:47.0 370:28.0 373:46.0 376:15.0 386:28.0 387:21.0 388:33.0 391:42.0 396:20.0 398:12.0 399:25.0 404:33.0 410:40.0 413:31.0 415:13.0 416:30.0 418:30.0 420:30.0 422:42.0 423:18.0 425:19.0 427:22.0 432:36.0 434:48.0 446:16.0 447:34.0 449:29.0 451:15.0 461:22.0 463:16.0 464:21.0 471:24.0 495:27.0 498:30.0 5950 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N adipic acid 474435 111 125 85:2037.0 86:2852.0 87:703.0 88:641.0 89:904.0 90:27.0 91:64.0 92:167.0 93:122.0 94:58.0 95:60.0 96:79.0 97:441.0 99:4029.0 100:405.0 101:502.0 102:524.0 105:259.0 107:59.0 108:26.0 109:187.0 110:362.0 111:58622.0 112:3744.0 113:1086.0 114:171.0 115:1351.0 116:2824.0 117:11244.0 118:1055.0 119:703.0 120:50.0 123:10.0 124:19.0 125:208.0 126:57.0 128:229.0 129:9390.0 130:2687.0 131:1989.0 132:910.0 133:3866.0 134:574.0 135:363.0 136:36.0 137:28.0 139:134.0 140:91.0 141:22408.0 142:2976.0 143:1671.0 144:12.0 145:426.0 146:254.0 147:25012.0 148:3888.0 149:5613.0 150:383.0 151:303.0 152:35.0 154:141.0 155:180.0 157:2340.0 158:564.0 159:5456.0 160:659.0 161:232.0 162:24.0 163:64.0 164:48.0 166:40.0 167:18.0 170:81.0 171:29.0 172:8835.0 173:1327.0 174:429.0 175:115.0 177:33.0 181:23.0 183:89.0 184:59.0 185:7436.0 186:765.0 187:338.0 188:18.0 189:114.0 191:28.0 197:13.0 198:23.0 199:48.0 200:825.0 201:305.0 202:94.0 203:216.0 204:1408.0 205:327.0 206:103.0 207:55.0 211:18.0 213:19.0 215:387.0 216:72.0 217:1764.0 218:417.0 219:176.0 220:55.0 222:21.0 225:9.0 226:21.0 228:29.0 229:113.0 230:49.0 231:404.0 232:97.0 234:22.0 235:18.0 236:13.0 237:39.0 240:33.0 242:13.0 243:27.0 245:35.0 246:12.0 247:307.0 248:117.0 249:47.0 250:36.0 251:46.0 252:14.0 253:31.0 254:29.0 255:16.0 259:33.0 261:61.0 262:34.0 263:32.0 264:19.0 272:17.0 273:20.0 274:40.0 275:3283.0 276:745.0 278:61.0 284:31.0 286:15.0 288:16.0 290:49.0 291:28.0 292:40.0 297:26.0 298:39.0 304:22.0 307:23.0 310:16.0 314:31.0 315:21.0 316:32.0 318:37.0 321:28.0 322:22.0 323:26.0 324:33.0 325:17.0 327:23.0 328:36.0 329:33.0 330:27.0 332:22.0 333:26.0 335:32.0 336:29.0 342:11.0 343:15.0 345:14.0 348:24.0 349:20.0 350:32.0 354:29.0 359:37.0 361:17.0 363:13.0 364:26.0 365:35.0 369:24.0 373:26.0 374:22.0 375:13.0 377:43.0 380:30.0 382:15.0 387:26.0 389:23.0 391:38.0 392:15.0 393:42.0 398:31.0 400:17.0 406:24.0 407:18.0 408:33.0 411:29.0 413:39.0 417:38.0 421:20.0 423:28.0 424:17.0 426:34.0 427:20.0 428:20.0 430:18.0 432:15.0 435:15.0 436:12.0 437:36.0 438:25.0 439:30.0 441:14.0 444:42.0 446:28.0 448:19.0 450:25.0 455:27.0 456:32.0 458:27.0 460:28.0 461:19.0 462:27.0 465:14.0 467:38.0 468:29.0 470:25.0 472:17.0 474:10.0 475:20.0 476:36.0 478:18.0 483:35.0 484:30.0 485:36.0 486:15.0 488:31.0 490:28.0 492:37.0 493:26.0 494:18.0 495:44.0 496:28.0 497:23.0 499:33.0 196 C06104 WNLRTRBMVRJNCN-UHFFFAOYSA-N aconitic acid 586815 229 29 85:823.0 86:194.0 87:662.0 88:337.0 89:711.0 90:119.0 91:200.0 93:1018.0 94:224.0 95:1683.0 96:1733.0 97:6038.0 98:1174.0 99:1242.0 100:178.0 101:600.0 102:310.0 103:1548.0 104:242.0 105:655.0 107:259.0 108:172.0 109:241.0 110:546.0 111:911.0 112:674.0 113:694.0 115:1207.0 116:392.0 117:2280.0 118:273.0 119:1093.0 120:174.0 121:326.0 122:39.0 123:487.0 124:76.0 125:294.0 126:191.0 127:456.0 128:263.0 129:304.0 130:82.0 131:2456.0 132:433.0 133:12641.0 134:1547.0 135:1441.0 136:68.0 137:131.0 138:116.0 139:600.0 140:589.0 141:1958.0 142:188.0 143:858.0 144:141.0 145:165.0 146:30.0 147:68394.0 148:11613.0 149:12191.0 150:1479.0 151:543.0 152:95.0 154:177.0 155:698.0 156:491.0 157:1087.0 158:217.0 159:340.0 160:96.0 161:209.0 163:232.0 164:59.0 166:51.0 168:110.0 169:1152.0 170:278.0 171:563.0 172:174.0 173:223.0 174:29.0 175:113.0 176:36.0 177:524.0 178:117.0 179:97.0 180:39.0 182:241.0 183:650.0 184:1346.0 185:635.0 186:162.0 187:140.0 188:22.0 189:104.0 190:60.0 191:337.0 192:70.0 193:152.0 195:168.0 196:85.0 197:103.0 198:55.0 199:337.0 200:173.0 201:311.0 202:135.0 203:90.0 204:99.0 205:87.0 206:80.0 207:390.0 208:123.0 210:36.0 211:12535.0 212:1859.0 213:1080.0 214:289.0 215:5405.0 216:954.0 217:445.0 218:50.0 220:30.0 221:762.0 222:212.0 223:32.0 224:36.0 226:40.0 227:34.0 228:645.0 229:16572.0 230:3226.0 231:1403.0 232:208.0 233:41.0 236:38.0 237:26.0 239:42.0 240:42.0 241:84.0 242:57.0 243:239.0 245:375.0 246:93.0 248:41.0 252:30.0 253:28.0 254:37.0 255:48.0 256:268.0 257:983.0 258:264.0 259:335.0 260:89.0 263:47.0 265:50.0 268:45.0 270:20.0 271:53.0 272:697.0 273:455.0 274:62.0 275:105.0 278:53.0 284:97.0 285:4739.0 286:1085.0 287:966.0 288:254.0 289:118.0 291:52.0 292:28.0 293:30.0 294:29.0 295:47.0 296:28.0 297:35.0 298:27.0 300:778.0 301:231.0 302:136.0 303:364.0 304:149.0 305:28.0 306:58.0 307:36.0 308:19.0 310:41.0 311:38.0 312:52.0 313:29.0 314:22.0 316:32.0 317:53.0 318:44.0 323:34.0 324:22.0 327:39.0 328:51.0 330:85.0 331:69.0 332:44.0 333:92.0 337:36.0 338:51.0 339:31.0 340:34.0 342:33.0 344:59.0 346:533.0 347:88.0 348:80.0 349:54.0 351:45.0 353:45.0 356:24.0 359:39.0 360:23.0 364:32.0 366:23.0 370:12.0 371:29.0 374:261.0 375:3283.0 376:1199.0 377:532.0 378:147.0 379:88.0 380:60.0 381:50.0 383:60.0 386:48.0 391:63.0 392:31.0 394:35.0 397:36.0 398:50.0 399:15.0 400:39.0 402:27.0 403:20.0 404:55.0 405:27.0 408:39.0 410:25.0 414:19.0 415:50.0 416:36.0 417:27.0 419:31.0 420:12.0 422:26.0 425:38.0 426:34.0 427:43.0 429:25.0 430:48.0 431:21.0 432:50.0 433:21.0 434:53.0 435:17.0 437:21.0 438:51.0 439:35.0 440:37.0 443:31.0 444:35.0 445:62.0 446:40.0 448:28.0 451:37.0 452:27.0 453:51.0 455:36.0 456:47.0 458:23.0 459:33.0 460:25.0 462:40.0 463:20.0 465:53.0 467:31.0 468:24.0 469:53.0 471:36.0 472:20.0 473:30.0 474:23.0 475:30.0 476:35.0 477:39.0 481:40.0 482:48.0 485:25.0 487:25.0 489:38.0 490:20.0 491:33.0 493:18.0 494:18.0 497:19.0 499:30.0 500:27.0 643757 C00417 GTZCVFVGUGFEME-IWQZZHSRSA-N 5-hydroxy-3-indoleacetic acid 777606 290 31552 95:15.0 101:72.0 106:26.0 134:100.0 141:29.0 142:43.0 145:9.0 146:79.0 154:6.0 168:12.0 172:17.0 174:37.0 184:6.0 186:85.0 187:14.0 188:4.0 196:11.0 198:9.0 200:12.0 202:266.0 203:46.0 204:40.0 214:15.0 216:53.0 217:147.0 218:82.0 226:9.0 234:29.0 244:6.0 247:17.0 260:59.0 264:1.0 274:15.0 288:59.0 289:8.0 290:2213.0 291:624.0 292:226.0 293:29.0 304:17.0 325:60.0 328:3.0 335:2.0 340:53.0 364:26.0 366:18.0 392:61.0 407:434.0 408:132.0 409:67.0 410:12.0 448:1.0 450:15.0 452:12.0 460:11.0 479:5.0 1826 C05635 DUUGKQCEGZLZNO-UHFFFAOYSA-N 4-hydroxyphenylacetic acid 542795 179 31555 85:74.0 89:848.0 90:484.0 91:340.0 93:30.0 95:3.0 97:50.0 98:40.0 101:1.0 102:542.0 104:207.0 105:301.0 107:207.0 109:9.0 112:6.0 113:36.0 114:37.0 116:22.0 117:97.0 119:14.0 121:91.0 123:17.0 130:32.0 133:307.0 134:89.0 135:516.0 136:71.0 137:25.0 142:12.0 145:27.0 147:753.0 149:559.0 150:125.0 151:12.0 153:1.0 161:273.0 162:35.0 163:909.0 164:2215.0 165:409.0 166:53.0 169:9.0 171:18.0 172:6.0 175:71.0 177:262.0 178:67.0 179:2734.0 180:359.0 181:83.0 184:195.0 190:18.0 191:342.0 193:6.0 196:10.0 200:3.0 201:4.0 203:4.0 205:38.0 206:14.0 208:10.0 209:68.0 210:15.0 215:13.0 222:2.0 225:115.0 226:3.0 230:8.0 237:84.0 238:9.0 245:16.0 246:2.0 252:1115.0 253:385.0 254:111.0 255:21.0 259:4.0 265:17.0 273:2.0 281:659.0 282:143.0 283:27.0 289:1.0 296:636.0 297:193.0 298:67.0 305:3.0 306:16.0 315:9.0 316:2.0 321:8.0 322:1.0 333:12.0 334:5.0 335:20.0 336:7.0 337:2.0 344:13.0 348:7.0 350:1.0 373:1.0 423:1.0 447:3.0 457:5.0 470:6.0 486:4.0 496:15.0 127 C00642 XQXPVVBIMDBYFF-UHFFFAOYSA-N 4-hydroxyhippuric acid NIST 784581 294 12284 92:132.0 95:144.0 106:27.0 107:57.0 109:177.0 110:119.0 112:79.0 116:94.0 118:2.0 120:138.0 121:266.0 125:30.0 127:1.0 128:65.0 130:360.0 131:6.0 132:2.0 133:2.0 138:62.0 142:74.0 144:311.0 145:9.0 146:155.0 150:278.0 151:84.0 155:63.0 156:534.0 157:3.0 158:10.0 160:20.0 163:27.0 173:18.0 177:36.0 178:19.0 192:2.0 193:6207.0 194:855.0 195:180.0 201:1.0 206:51.0 208:4.0 209:15.0 219:3.0 227:9.0 239:44.0 249:25.0 253:34.0 256:32.0 267:107.0 274:2.0 278:46.0 279:33.0 280:32.0 291:26.0 294:2105.0 295:573.0 296:124.0 297:15.0 309:14.0 317:96.0 324:87.0 325:33.0 327:95.0 339:244.0 341:90.0 370:17.0 395:3.0 396:13.0 401:13.0 402:8.0 406:7.0 454:16.0 455:11.0 469:68.0 470:3.0 476:21.0 151012 ZMHLUFWWWPBTIU-UHFFFAOYSA-N 4-hydroxybenzoate 537925 223 34016 85:234.0 86:343.0 87:138.0 88:10.0 89:445.0 90:153.0 91:1213.0 92:426.0 94:40.0 95:138.0 97:24.0 99:110.0 100:926.0 102:103.0 103:924.0 104:382.0 105:205.0 107:273.0 108:181.0 109:237.0 110:52.0 111:54.0 112:151.0 113:137.0 114:118.0 115:619.0 116:25.0 117:1204.0 118:246.0 119:2.0 120:165.0 121:272.0 122:78.0 126:804.0 128:1.0 129:116.0 130:67.0 131:85.0 132:195.0 133:25.0 134:349.0 135:418.0 136:184.0 137:84.0 138:18.0 140:177.0 143:243.0 144:24.0 145:22.0 146:102.0 147:1669.0 148:27.0 149:544.0 150:150.0 151:315.0 153:6.0 155:105.0 156:84.0 157:117.0 158:5.0 160:51.0 161:5.0 163:60.0 168:39.0 169:15.0 170:45.0 171:255.0 172:32.0 173:40.0 175:77.0 176:14.0 177:94.0 178:10.0 179:323.0 180:75.0 181:25.0 182:69.0 184:172.0 185:24.0 186:1.0 188:11.0 189:142.0 190:115.0 191:10.0 192:1864.0 193:2811.0 194:522.0 195:263.0 199:182.0 202:40.0 204:182.0 205:67.0 206:37.0 207:148.0 208:12.0 210:26.0 212:34.0 215:125.0 216:23.0 218:2562.0 219:796.0 220:302.0 221:15.0 222:3.0 223:3496.0 224:788.0 225:234.0 226:45.0 228:18.0 230:64.0 231:335.0 232:148.0 233:18.0 235:12.0 236:5.0 237:28.0 241:46.0 242:40.0 243:21.0 244:1.0 245:2.0 246:4.0 248:25.0 252:32.0 256:159.0 258:158.0 259:186.0 261:146.0 263:2.0 266:142.0 267:3126.0 268:862.0 269:277.0 270:60.0 271:18.0 272:267.0 273:92.0 274:28.0 275:85.0 276:59.0 277:2.0 278:1.0 281:101.0 282:571.0 283:128.0 284:27.0 289:267.0 290:47.0 291:47.0 292:13.0 293:26.0 294:5.0 295:1.0 299:29.0 301:47.0 305:8.0 306:2.0 307:1.0 314:62.0 318:7.0 320:34.0 321:1.0 329:40.0 333:4.0 334:4.0 338:7.0 349:15.0 351:10.0 354:10.0 359:17.0 361:12.0 362:7.0 364:8.0 366:2.0 371:18.0 383:14.0 385:22.0 389:7.0 390:16.0 391:58.0 394:13.0 398:30.0 406:1.0 412:31.0 414:10.0 421:1.0 423:18.0 424:2.0 425:1.0 434:5.0 439:2.0 445:10.0 446:1.0 458:9.0 463:6.0 466:2.0 470:7.0 471:13.0 473:18.0 477:7.0 483:1.0 484:14.0 485:7.0 487:4.0 489:2.0 492:47.0 494:1.0 500:24.0 135 C00156 FJKROLUGYXJWQN-UHFFFAOYSA-N 3-hydroxyphenylacetic acid 527648 164 32360 88:403.0 89:1968.0 90:785.0 91:466.0 92:69.0 94:4.0 95:264.0 96:6.0 97:9.0 98:68.0 99:48.0 100:15.0 101:501.0 102:233.0 103:1057.0 104:282.0 105:1724.0 106:281.0 107:122.0 108:247.0 109:95.0 110:133.0 111:66.0 112:213.0 113:330.0 114:171.0 115:2107.0 116:239.0 117:2387.0 118:279.0 119:250.0 121:128.0 122:5.0 123:17.0 124:48.0 126:30.0 127:55.0 128:255.0 129:2636.0 130:687.0 131:1253.0 132:157.0 133:2529.0 134:464.0 135:827.0 136:58.0 137:96.0 138:2.0 139:13.0 140:103.0 141:74.0 142:87.0 143:273.0 145:211.0 146:25.0 147:10238.0 148:1447.0 149:2379.0 150:323.0 151:221.0 152:37.0 153:8.0 155:199.0 157:64.0 159:477.0 160:8.0 161:630.0 162:131.0 163:1010.0 164:5265.0 165:1085.0 166:353.0 167:169.0 168:57.0 169:71.0 171:315.0 172:30.0 175:261.0 177:339.0 178:126.0 179:462.0 180:210.0 181:72.0 182:9.0 183:77.0 184:79.0 185:29.0 187:23.0 188:92.0 189:499.0 190:79.0 191:876.0 192:57.0 193:238.0 195:29.0 197:47.0 200:71.0 203:473.0 204:311.0 205:2356.0 206:533.0 207:273.0 208:56.0 209:179.0 210:15.0 211:64.0 212:8.0 213:55.0 214:12.0 216:146.0 217:148.0 221:202.0 222:57.0 224:35.0 225:41.0 226:138.0 227:202.0 228:20.0 231:5552.0 232:1187.0 233:535.0 234:50.0 235:36.0 236:31.0 237:108.0 240:70.0 241:120.0 242:31.0 243:54.0 244:146.0 245:141.0 250:6.0 252:932.0 253:221.0 254:31.0 255:58.0 256:203.0 257:12.0 259:9.0 263:39.0 265:119.0 272:24.0 274:48.0 277:13.0 278:19.0 281:1424.0 282:278.0 283:111.0 286:2.0 287:48.0 292:6.0 296:1302.0 297:241.0 298:140.0 299:13.0 300:64.0 301:20.0 314:176.0 315:27.0 319:12.0 325:19.0 337:1.0 344:12.0 347:16.0 352:23.0 362:3.0 363:15.0 368:28.0 374:35.0 383:28.0 387:23.0 390:17.0 396:9.0 410:1.0 413:10.0 415:23.0 421:5.0 423:7.0 434:4.0 440:5.0 451:35.0 453:23.0 455:7.0 461:6.0 465:12.0 470:17.0 473:47.0 484:31.0 492:10.0 495:21.0 12122 C05593 FVMDYYGIDFPZAX-UHFFFAOYSA-N 3-hydroxy-3-methylglutaric acid 521554 247 32000 85:626.0 88:16.0 99:275.0 100:730.0 101:73.0 102:61.0 103:177.0 105:4.0 109:1920.0 110:105.0 111:74.0 112:83.0 113:58.0 114:82.0 115:2396.0 116:497.0 117:648.0 119:126.0 122:1.0 128:36.0 129:150.0 131:335.0 133:955.0 134:20.0 135:5.0 140:38.0 141:84.0 142:47.0 144:16.0 147:3623.0 148:545.0 149:525.0 150:59.0 151:23.0 157:174.0 159:95.0 163:168.0 164:7.0 170:7.0 171:247.0 172:45.0 183:513.0 184:30.0 188:42.0 189:270.0 190:5.0 191:84.0 198:37.0 199:1241.0 200:148.0 201:103.0 203:410.0 204:193.0 205:99.0 215:59.0 216:5.0 217:15.0 224:8.0 226:10.0 229:24.0 231:992.0 232:174.0 233:35.0 241:16.0 244:29.0 246:14.0 247:1252.0 248:237.0 249:61.0 257:5.0 273:715.0 274:125.0 275:59.0 292:6.0 307:46.0 329:74.0 330:39.0 344:1.0 363:250.0 364:109.0 399:2.0 467:1.0 1662 C03761 NPOAOTPXWNWTSH-UHFFFAOYSA-N 3,4-dihydroxyhydrocinnamic acid NIST 673176 179 34133 86:57.0 88:2.0 89:62.0 91:247.0 93:29.0 95:307.0 98:55.0 100:233.0 101:210.0 103:148.0 104:129.0 105:148.0 107:217.0 108:38.0 109:71.0 110:8.0 111:71.0 112:54.0 113:469.0 114:111.0 115:183.0 116:91.0 117:147.0 119:382.0 120:201.0 121:24.0 122:57.0 123:94.0 126:18.0 129:72.0 130:135.0 131:466.0 134:44.0 135:65.0 136:344.0 137:95.0 139:47.0 140:6.0 141:102.0 142:161.0 143:60.0 144:161.0 146:24.0 147:722.0 148:40.0 149:510.0 150:114.0 152:58.0 153:45.0 154:19.0 157:50.0 160:68.0 161:97.0 162:126.0 163:2.0 164:190.0 165:13.0 168:35.0 170:20.0 171:168.0 172:2.0 173:1.0 174:9.0 175:266.0 176:6.0 177:167.0 178:55.0 179:6411.0 180:665.0 181:314.0 184:3.0 188:42.0 191:43.0 192:285.0 193:295.0 196:4.0 203:15.0 207:74.0 211:40.0 214:23.0 215:1.0 217:129.0 222:96.0 223:50.0 226:11.0 233:27.0 235:9.0 237:27.0 238:12.0 241:122.0 246:11.0 247:2.0 250:1.0 251:1.0 252:2.0 253:2.0 255:73.0 259:155.0 263:20.0 264:2.0 265:174.0 266:221.0 267:1251.0 268:306.0 269:116.0 275:5.0 280:464.0 281:127.0 282:45.0 284:7.0 285:37.0 287:27.0 288:1.0 294:4.0 295:60.0 296:156.0 297:71.0 298:43.0 299:10.0 301:1.0 302:12.0 309:188.0 310:29.0 311:16.0 319:98.0 340:3.0 341:136.0 354:5.0 355:9.0 371:1.0 381:1.0 383:115.0 384:64.0 385:69.0 391:1.0 394:1.0 395:1.0 398:818.0 399:300.0 400:127.0 401:69.0 415:24.0 430:5.0 433:6.0 450:1.0 469:1.0 472:2.0 495:9.0 348154 C10447 DZAUWHJDUNRCTF-UHFFFAOYSA-N 3-(3-hydroxyphenyl)-3-hydroxypropionic acid nist 632357 267 31650 85:379.0 86:289.0 87:440.0 88:135.0 89:1238.0 90:336.0 91:2529.0 92:218.0 93:258.0 94:115.0 95:526.0 96:146.0 97:299.0 99:35.0 101:1118.0 102:635.0 103:794.0 104:222.0 105:539.0 106:175.0 107:285.0 109:112.0 110:48.0 111:210.0 113:98.0 114:128.0 115:1785.0 116:2111.0 117:1430.0 118:180.0 119:879.0 120:194.0 121:306.0 122:92.0 123:212.0 124:192.0 125:62.0 126:16.0 127:118.0 129:353.0 131:1912.0 132:372.0 133:2965.0 134:322.0 135:1829.0 136:51.0 137:434.0 138:170.0 139:57.0 140:6.0 141:158.0 142:85.0 143:574.0 145:340.0 146:109.0 147:13009.0 148:2620.0 149:2611.0 150:496.0 151:3150.0 152:590.0 153:193.0 154:7.0 156:44.0 158:31.0 159:248.0 160:8.0 161:1514.0 162:338.0 163:504.0 164:169.0 165:305.0 166:265.0 167:90.0 169:80.0 170:103.0 171:20.0 173:177.0 174:173.0 175:598.0 176:191.0 177:2413.0 178:484.0 179:2687.0 180:308.0 181:468.0 182:82.0 184:267.0 185:395.0 186:157.0 188:24.0 189:263.0 190:358.0 191:2154.0 192:862.0 193:1636.0 194:763.0 195:476.0 196:5.0 197:68.0 198:65.0 199:99.0 200:40.0 202:172.0 203:394.0 204:247.0 205:299.0 206:524.0 207:397.0 208:63.0 209:504.0 210:70.0 211:60.0 212:55.0 215:84.0 216:8.0 218:287.0 219:431.0 220:96.0 221:175.0 222:165.0 223:419.0 224:125.0 225:116.0 226:11.0 227:46.0 228:126.0 229:4.0 232:139.0 233:185.0 234:137.0 235:249.0 236:34.0 237:1446.0 238:542.0 239:46.0 240:22.0 242:136.0 245:17.0 246:42.0 249:140.0 250:226.0 251:1094.0 252:147.0 253:194.0 254:81.0 255:89.0 256:79.0 258:62.0 260:60.0 261:50.0 263:154.0 265:2045.0 266:1045.0 267:15577.0 268:4188.0 269:1758.0 270:250.0 271:126.0 273:27.0 276:94.0 277:251.0 279:1543.0 280:6112.0 281:1663.0 282:449.0 283:267.0 285:15.0 287:37.0 288:85.0 291:26.0 294:4.0 295:25.0 296:6.0 297:42.0 298:18.0 299:118.0 301:47.0 302:19.0 308:321.0 310:214.0 311:68.0 313:40.0 314:7.0 315:36.0 316:8.0 317:14.0 318:72.0 319:21.0 320:7.0 323:2.0 324:2.0 326:15.0 328:79.0 329:46.0 331:6.0 332:20.0 334:1.0 335:57.0 336:37.0 338:16.0 339:137.0 340:144.0 341:673.0 342:253.0 343:128.0 344:49.0 345:74.0 346:3.0 350:17.0 355:26.0 356:23.0 359:28.0 361:39.0 362:19.0 363:151.0 364:127.0 366:45.0 369:59.0 372:2.0 375:71.0 376:82.0 377:69.0 378:4.0 380:15.0 382:44.0 383:205.0 384:151.0 386:22.0 387:88.0 388:66.0 391:27.0 392:29.0 394:14.0 396:74.0 397:48.0 398:1503.0 399:751.0 400:432.0 401:120.0 402:20.0 404:32.0 406:89.0 408:2.0 409:24.0 411:2.0 413:4.0 415:71.0 416:47.0 417:86.0 418:12.0 419:69.0 420:53.0 422:4.0 428:44.0 430:67.0 431:42.0 433:74.0 435:38.0 436:91.0 437:45.0 439:10.0 440:4.0 441:19.0 442:11.0 443:22.0 444:21.0 445:19.0 446:55.0 448:16.0 449:132.0 451:7.0 453:40.0 455:13.0 459:7.0 462:72.0 463:31.0 464:51.0 466:41.0 467:10.0 468:22.0 470:23.0 472:59.0 473:20.0 475:37.0 476:2.0 478:10.0 482:4.0 483:58.0 484:58.0 485:4.0 486:10.0 487:10.0 495:37.0 496:34.0 497:1.0 498:50.0 499:50.0 102959 KHTAGVZHYUZYMF-UHFFFAOYSA-N 2-hydroxyglutaric acid 506306 247 2000 85:987.0 86:115.0 99:30.0 101:119.0 103:121.0 105:91.0 115:9.0 116:84.0 117:39.0 129:3826.0 130:487.0 131:370.0 132:6.0 133:412.0 134:38.0 146:11.0 147:1685.0 148:252.0 149:537.0 150:24.0 157:1113.0 158:97.0 159:129.0 163:13.0 172:4.0 184:12.0 203:612.0 204:140.0 217:9.0 218:20.0 231:219.0 247:1048.0 248:174.0 249:17.0 349:124.0 350:3.0 354:11.0 477:11.0 479:1.0 43 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N 2-deoxytetronic acid 433456 189 1208 85:3678.0 86:419.0 87:1070.0 88:693.0 89:3868.0 90:231.0 91:269.0 92:61.0 94:196.0 96:136.0 97:220.0 98:279.0 99:1268.0 100:276.0 101:10175.0 102:1066.0 103:3549.0 104:443.0 105:707.0 106:118.0 107:102.0 108:142.0 109:54.0 111:177.0 112:57.0 113:377.0 114:530.0 115:1621.0 116:869.0 117:12125.0 118:1194.0 119:1640.0 120:183.0 121:154.0 123:18.0 127:243.0 129:6961.0 130:984.0 131:3106.0 132:474.0 133:12670.0 134:1801.0 135:1157.0 136:137.0 137:93.0 138:25.0 141:85.0 142:111.0 143:632.0 144:92.0 145:198.0 146:88.0 147:26724.0 148:4413.0 149:4711.0 150:499.0 151:282.0 152:21.0 153:37.0 156:130.0 157:3499.0 158:428.0 159:332.0 160:142.0 161:180.0 162:115.0 163:316.0 164:68.0 169:32.0 173:248.0 174:114.0 175:250.0 176:104.0 177:90.0 179:38.0 185:48.0 186:62.0 189:12001.0 190:2127.0 191:4718.0 192:673.0 193:383.0 195:45.0 198:32.0 199:21.0 202:2528.0 203:3369.0 204:1149.0 205:1027.0 206:236.0 207:167.0 208:53.0 209:49.0 212:48.0 213:36.0 214:39.0 215:57.0 216:45.0 217:978.0 218:344.0 219:126.0 220:41.0 221:357.0 222:146.0 223:54.0 227:26.0 230:15.0 231:4122.0 232:885.0 233:7111.0 234:1161.0 235:545.0 236:107.0 237:55.0 242:23.0 243:18.0 244:25.0 246:1622.0 247:355.0 248:162.0 249:33.0 254:30.0 255:31.0 258:23.0 260:47.0 261:47.0 262:34.0 264:31.0 265:38.0 267:29.0 268:23.0 273:20.0 274:20.0 275:31.0 278:38.0 279:35.0 282:38.0 288:23.0 289:19.0 294:18.0 296:19.0 297:28.0 299:14.0 318:19.0 320:45.0 321:1001.0 322:318.0 323:154.0 324:28.0 325:24.0 326:19.0 333:19.0 335:25.0 336:31.0 339:21.0 344:29.0 345:35.0 347:32.0 349:15.0 352:24.0 358:27.0 366:20.0 367:21.0 368:35.0 372:35.0 384:18.0 386:38.0 392:21.0 396:24.0 397:24.0 402:41.0 403:22.0 415:42.0 417:14.0 420:42.0 429:22.0 431:25.0 443:14.0 448:23.0 449:18.0 451:13.0 457:20.0 458:14.0 466:23.0 468:19.0 469:18.0 474:31.0 477:25.0 478:31.0 480:21.0 487:17.0 491:18.0 492:27.0 498:54.0 500:22.0 150929 DZAIOXUZHHTJKN-UHFFFAOYSA-N 2,3-dihydroxybutanoic acid NIST 384796 292 31743 87:433.0 88:146.0 89:211.0 95:50.0 101:566.0 102:5460.0 103:1435.0 106:74.0 107:123.0 108:62.0 110:72.0 115:2014.0 116:220.0 117:16374.0 118:1491.0 119:1168.0 123:31.0 124:14.0 129:1092.0 130:2991.0 131:2301.0 132:1136.0 133:5833.0 136:86.0 137:44.0 139:22.0 143:92.0 147:7382.0 148:1170.0 149:1275.0 150:167.0 151:189.0 161:37.0 162:19.0 163:129.0 175:52.0 177:157.0 178:19.0 179:13.0 180:15.0 183:69.0 185:35.0 186:47.0 187:24.0 191:179.0 194:29.0 201:23.0 202:56.0 203:1254.0 204:756.0 205:341.0 207:107.0 213:38.0 215:32.0 216:22.0 217:51.0 218:37.0 219:149.0 220:1438.0 221:577.0 222:200.0 223:85.0 224:27.0 226:20.0 227:65.0 231:145.0 232:34.0 234:23.0 237:26.0 240:14.0 244:28.0 245:20.0 247:27.0 249:20.0 265:41.0 277:67.0 279:7.0 283:21.0 287:42.0 288:19.0 292:2186.0 293:773.0 294:361.0 295:113.0 296:22.0 297:16.0 306:24.0 318:18.0 320:31.0 321:122.0 323:31.0 325:19.0 333:15.0 337:25.0 357:36.0 359:15.0 363:19.0 364:24.0 375:15.0 384:14.0 388:20.0 397:15.0 399:14.0 409:17.0 413:24.0 418:28.0 437:17.0 444:17.0 487:13.0 493:21.0 495:23.0 497:15.0 250402 LOUGYXZSURQALL-UHFFFAOYSA-N 1,2-anhydro-myo-inositol NIST 651472 318 16557 85:790.0 86:151.0 87:1307.0 88:8.0 90:93.0 91:58.0 95:305.0 97:198.0 98:63.0 99:708.0 101:2297.0 102:106.0 103:7446.0 104:505.0 109:190.0 110:51.0 111:679.0 112:156.0 113:813.0 116:1127.0 119:592.0 124:1.0 125:76.0 126:241.0 127:578.0 129:10841.0 131:3376.0 132:122.0 133:9161.0 134:1359.0 135:672.0 137:79.0 138:32.0 139:109.0 140:12.0 141:333.0 142:319.0 143:2694.0 144:231.0 146:121.0 147:30131.0 148:4448.0 149:3552.0 150:132.0 151:242.0 152:68.0 153:155.0 155:543.0 156:255.0 157:399.0 158:43.0 159:76.0 161:488.0 168:99.0 169:628.0 170:98.0 171:372.0 172:260.0 173:84.0 175:771.0 176:151.0 177:659.0 178:150.0 179:11.0 181:154.0 183:92.0 185:67.0 187:86.0 188:327.0 189:3902.0 190:1146.0 191:16422.0 192:2781.0 193:1448.0 194:183.0 195:72.0 197:19.0 199:83.0 200:86.0 201:405.0 202:142.0 203:873.0 204:17003.0 205:5597.0 206:1692.0 207:935.0 208:372.0 209:36.0 212:69.0 214:65.0 215:434.0 217:15028.0 218:2686.0 219:1369.0 221:2100.0 222:486.0 223:236.0 224:55.0 227:56.0 228:55.0 230:380.0 231:500.0 232:45.0 234:50.0 236:32.0 237:24.0 239:154.0 240:41.0 241:52.0 242:114.0 243:845.0 244:167.0 245:213.0 249:100.0 250:15.0 254:137.0 255:164.0 256:16.0 257:87.0 258:38.0 259:285.0 260:29.0 264:87.0 265:3046.0 266:763.0 267:398.0 268:36.0 269:52.0 270:13.0 271:213.0 272:172.0 273:913.0 274:189.0 275:10.0 276:26.0 278:151.0 279:16.0 281:51.0 285:8.0 287:6.0 288:24.0 289:68.0 291:1522.0 292:493.0 293:333.0 294:68.0 295:67.0 298:7.0 299:20.0 301:33.0 302:57.0 303:117.0 304:215.0 305:3626.0 306:963.0 307:507.0 308:10.0 309:12.0 310:42.0 313:56.0 314:24.0 315:13.0 316:59.0 317:324.0 318:10424.0 319:2422.0 320:1572.0 321:235.0 322:24.0 323:2.0 325:33.0 326:19.0 327:35.0 328:24.0 329:71.0 330:6.0 331:9.0 332:59.0 337:16.0 339:7.0 341:111.0 342:69.0 343:408.0 344:159.0 345:281.0 346:111.0 347:45.0 353:10.0 356:30.0 362:66.0 363:148.0 364:42.0 365:9.0 367:510.0 368:179.0 369:86.0 370:53.0 371:2.0 373:3.0 374:8.0 375:2.0 379:21.0 381:7.0 384:20.0 385:22.0 386:22.0 392:32.0 393:204.0 394:113.0 395:84.0 397:37.0 398:22.0 399:4.0 400:43.0 401:47.0 402:3.0 404:23.0 406:54.0 407:26.0 408:10.0 410:1.0 412:2.0 413:25.0 414:17.0 416:80.0 417:74.0 418:8.0 419:83.0 422:10.0 425:2.0 427:48.0 429:19.0 430:48.0 431:134.0 432:1644.0 433:1110.0 434:634.0 435:247.0 436:86.0 437:7.0 438:35.0 440:2.0 442:8.0 444:33.0 446:3.0 447:8.0 449:2.0 452:2.0 453:16.0 454:18.0 455:10.0 456:21.0 457:39.0 458:10.0 459:19.0 460:32.0 464:6.0 470:5.0 472:22.0 473:39.0 474:13.0 475:70.0 477:29.0 481:8.0 484:3.0 485:56.0 487:4.0 488:22.0 489:7.0 490:37.0 491:39.0 493:9.0 494:24.0 496:36.0 497:42.0 498:39.0 119054 ZHMWOVGZCINIHW-FTYOSCRSSA-N UNK_353342 311099 231 353342 85:13254.0 86:36483.0 87:16438.0 88:3979.0 89:4311.0 90:12244.0 91:14959.0 92:4029.0 94:5481.0 95:2283.0 96:1948.0 97:3006.0 98:2545.0 99:31324.0 100:433141.0 101:44667.0 102:22158.0 103:8990.0 104:23469.0 105:7438.0 106:1681.0 107:2022.0 108:1173.0 111:744.0 112:593.0 113:4671.0 114:5134.0 115:17509.0 116:170140.0 117:31982.0 118:8503.0 119:3540.0 120:162305.0 121:15446.0 122:9643.0 123:1959.0 124:702.0 127:3601.0 128:891.0 129:779.0 130:8587.0 131:30433.0 132:12006.0 133:15297.0 134:6061.0 135:3717.0 137:620.0 138:4610.0 139:761.0 141:19285.0 142:2931.0 143:55554.0 144:6499.0 145:16039.0 146:6358.0 147:167077.0 148:27051.0 149:13812.0 150:3320.0 151:6583.0 155:1266.0 156:1659.0 157:3580.0 159:4658.0 160:778.0 161:1159.0 165:1106.0 166:792.0 167:1440.0 169:904.0 170:108623.0 171:15475.0 172:6755.0 173:4995.0 174:2807.0 177:987.0 179:892.0 184:4024.0 185:14087.0 186:22808.0 187:2689.0 188:7670.0 189:16232.0 190:3511.0 192:11408.0 193:2629.0 194:1373.0 195:1869.0 202:1022.0 207:965.0 209:774.0 213:16868.0 214:2998.0 215:2107.0 217:680.0 219:5389.0 220:785.0 229:1560.0 231:183925.0 232:36846.0 233:15568.0 234:2794.0 242:2566.0 243:1055.0 244:726.0 247:406.0 253:3619.0 275:370.0 284:575.0 285:36019.0 286:6433.0 287:3289.0 288:1095.0 300:2910.0 301:736.0 302:526.0 306:407.0 307:533.0 323:564.0 330:460.0 338:423.0 346:768.0 347:861.0 348:765.0 366:450.0 373:767.0 377:370.0 395:530.0 414:379.0 423:624.0 424:532.0 425:359.0 432:589.0 433:703.0 434:625.0 441:597.0 450:763.0 458:362.0 467:496.0 468:568.0 469:447.0 UNK_351222 250484 245 351222 85:8116.0 92:1253.0 94:509.0 96:318.0 97:548.0 98:1550.0 99:11644.0 103:2632.0 105:1536.0 106:345.0 107:7115.0 108:1443.0 109:249.0 110:564.0 111:2036.0 112:394.0 113:3835.0 115:43380.0 116:17673.0 117:4269.0 124:105.0 125:695.0 126:917.0 127:7145.0 128:2134.0 129:1818.0 132:3958.0 138:126.0 139:3480.0 140:821.0 141:3018.0 142:1238.0 143:2019.0 144:1875.0 145:786.0 151:395.0 152:254.0 153:172.0 155:1686.0 156:553.0 157:20714.0 158:5075.0 159:2380.0 167:284.0 168:149.0 169:100.0 170:270.0 171:8603.0 172:4391.0 173:5088.0 174:2130.0 175:636.0 180:182.0 181:147.0 182:166.0 183:167.0 185:368.0 187:870.0 188:11921.0 189:3408.0 190:2248.0 194:46.0 196:104.0 197:79.0 198:130.0 199:377.0 201:62.0 204:52451.0 205:10838.0 206:6066.0 207:873.0 208:136.0 209:160.0 213:802.0 214:243.0 215:3039.0 216:881.0 217:438.0 218:323.0 220:187.0 221:208.0 222:250.0 223:193.0 224:190.0 225:253.0 226:113.0 227:131.0 228:759.0 229:4182.0 230:1261.0 231:747.0 232:281.0 233:117.0 236:137.0 237:150.0 238:43.0 241:27.0 242:86.0 243:72.0 244:241.0 245:172981.0 246:43912.0 247:22506.0 248:3523.0 255:61.0 256:33.0 259:169.0 260:5689.0 261:1600.0 262:594.0 263:114.0 264:66.0 273:38.0 274:43.0 276:31.0 278:88.0 279:53.0 287:18.0 289:40.0 290:62.0 291:33.0 303:59.0 304:56.0 306:26.0 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496:20.0 499:30.0 500:26.0 UNK_351061 624188 284 351061 85:57367.0 86:45143.0 87:14609.0 88:17553.0 89:11699.0 90:8418.0 91:79203.0 92:7458.0 93:6986.0 94:9497.0 95:7341.0 96:9872.0 97:10240.0 98:31333.0 99:277853.0 100:129796.0 101:33097.0 102:18694.0 103:38683.0 104:34500.0 105:10295.0 106:5789.0 107:5381.0 108:3826.0 109:4316.0 110:59653.0 111:11496.0 112:11237.0 113:56833.0 114:99954.0 115:31784.0 116:17754.0 117:17055.0 118:28570.0 119:67010.0 120:16232.0 121:8489.0 122:10664.0 123:5404.0 124:6915.0 125:7841.0 126:8399.0 127:9673.0 128:10618.0 129:10629.0 130:16476.0 131:31379.0 132:14534.0 133:13406.0 134:6667.0 135:8622.0 136:5113.0 137:7467.0 138:79709.0 139:12265.0 140:15770.0 141:47726.0 142:331952.0 143:47382.0 144:19624.0 145:14274.0 146:25573.0 147:21518.0 148:6613.0 149:6185.0 150:2480.0 151:18483.0 152:6968.0 153:4915.0 154:19818.0 155:13873.0 156:7415.0 157:10510.0 158:51303.0 159:13693.0 160:7832.0 161:4898.0 162:5666.0 163:5845.0 164:2407.0 165:1336.0 166:10907.0 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235:15.0 236:63.0 237:9.0 241:10.0 243:1.0 245:17.0 246:66.0 247:40.0 254:2.0 260:5.0 261:5.0 263:23.0 264:366.0 265:352.0 266:74.0 283:29.0 284:6.0 295:3.0 297:30.0 300:17.0 304:2.0 308:11.0 309:9.0 314:33.0 319:8.0 326:23.0 328:1.0 332:19.0 335:6.0 342:2.0 351:8.0 354:8.0 357:20.0 365:23.0 388:2.0 389:8.0 391:15.0 395:8.0 397:9.0 398:4.0 406:6.0 409:25.0 415:18.0 417:4.0 420:8.0 431:22.0 433:10.0 434:5.0 437:21.0 446:18.0 451:1.0 456:5.0 461:15.0 466:6.0 474:20.0 478:6.0 479:12.0 484:25.0 486:20.0 489:25.0 496:14.0 UNK_1981 422675 103 1981 87:36.0 94:11.0 99:55.0 101:101.0 102:156.0 103:8936.0 104:810.0 105:257.0 107:9.0 110:127.0 111:11.0 112:49.0 113:29.0 114:67.0 118:68.0 119:49.0 122:8.0 123:22.0 127:6.0 128:8.0 129:1123.0 130:142.0 131:348.0 132:5.0 133:377.0 136:4.0 144:2.0 147:2152.0 148:60.0 149:259.0 150:38.0 151:3.0 156:62.0 161:22.0 162:14.0 175:54.0 176:30.0 177:139.0 182:4.0 183:60.0 184:5.0 185:4.0 186:51.0 187:20.0 189:99.0 190:6.0 193:7.0 195:10.0 203:85.0 210:1.0 213:1.0 218:13.0 219:1243.0 220:346.0 221:111.0 222:30.0 223:24.0 224:28.0 225:2.0 231:21.0 236:26.0 239:228.0 240:10.0 241:16.0 242:17.0 243:3.0 244:12.0 245:13.0 249:1.0 250:19.0 251:4.0 254:90.0 256:40.0 259:41.0 260:2.0 261:12.0 262:2.0 267:4.0 274:13.0 278:31.0 279:16.0 285:7.0 286:5.0 289:10.0 291:8.0 293:32.0 294:8.0 298:10.0 299:82.0 302:3.0 306:13.0 308:2.0 314:14.0 319:16.0 321:77.0 322:30.0 323:19.0 326:3.0 339:2.0 340:13.0 341:16.0 342:36.0 343:4.0 344:8.0 345:13.0 346:29.0 347:7.0 350:30.0 355:9.0 357:22.0 359:5.0 361:5.0 365:2.0 366:14.0 367:14.0 368:23.0 370:1.0 373:150.0 374:35.0 376:29.0 378:4.0 379:16.0 381:3.0 385:7.0 388:2.0 389:48.0 392:27.0 396:11.0 402:1.0 403:6.0 405:18.0 406:4.0 409:5.0 410:11.0 412:17.0 415:8.0 417:10.0 422:12.0 424:1.0 426:7.0 428:8.0 434:2.0 435:27.0 437:21.0 438:5.0 439:16.0 441:13.0 445:3.0 449:34.0 450:1.0 451:5.0 452:3.0 458:27.0 463:5.0 467:13.0 469:7.0 472:14.0 473:19.0 477:39.0 479:6.0 480:19.0 483:34.0 485:2.0 490:5.0 492:16.0 495:24.0 498:21.0 UNK_1970 406089 117 1970 85:3.0 87:22.0 91:256.0 93:16.0 99:15.0 101:1309.0 102:52.0 103:8.0 105:7.0 107:3.0 113:78.0 114:124.0 115:764.0 116:4502.0 117:20453.0 118:2267.0 119:990.0 129:403.0 130:79.0 131:698.0 133:1780.0 134:61.0 143:3983.0 144:930.0 145:490.0 146:139.0 147:7923.0 148:1307.0 149:2438.0 150:149.0 151:84.0 157:63.0 171:75.0 175:173.0 184:2.0 191:7.0 193:53.0 195:22.0 203:536.0 204:72.0 216:10.0 217:227.0 218:103.0 221:279.0 222:26.0 231:14.0 233:1040.0 234:1525.0 235:291.0 236:35.0 245:418.0 246:41.0 276:10.0 299:13.0 306:1619.0 307:511.0 308:189.0 476:1.0 UNK_1725 627764 120 1725 89:1.0 91:2446.0 92:495.0 93:2058.0 94:1249.0 96:5.0 97:3.0 101:34.0 103:316.0 105:67.0 107:165.0 110:42.0 111:2.0 116:7.0 117:1199.0 119:378.0 120:3861.0 121:3647.0 122:304.0 135:5.0 140:55.0 141:15.0 142:231.0 143:15.0 146:6.0 147:13.0 149:10.0 174:12.0 179:7.0 181:47.0 185:5.0 199:1.0 206:1.0 207:4.0 208:52.0 214:1775.0 215:226.0 222:4.0 223:2.0 225:3.0 241:84.0 253:1.0 257:386.0 258:94.0 265:651.0 266:64.0 280:84.0 281:1.0 295:3.0 314:4.0 329:45.0 458:19.0 467:8.0 490:1.0 UNK_1704 505341 223 1704 85:698.0 86:242.0 89:124.0 91:1848.0 92:177.0 93:1276.0 94:67.0 95:381.0 97:527.0 98:76.0 99:130.0 100:77.0 101:280.0 103:1026.0 104:52.0 105:1859.0 106:69.0 107:989.0 109:695.0 110:242.0 111:90.0 112:36.0 113:121.0 114:24.0 115:803.0 116:104.0 117:8561.0 118:921.0 119:1118.0 121:401.0 122:41.0 123:1164.0 124:161.0 125:789.0 127:97.0 128:110.0 130:619.0 131:1895.0 132:82.0 133:3913.0 134:621.0 135:695.0 136:61.0 137:131.0 138:1.0 139:192.0 141:854.0 142:149.0 143:427.0 144:67.0 145:257.0 146:58.0 147:5904.0 148:1022.0 149:1188.0 150:112.0 151:501.0 152:92.0 153:194.0 154:13.0 155:506.0 156:95.0 157:837.0 158:148.0 159:78.0 162:7.0 163:44.0 164:16.0 165:951.0 166:257.0 167:1084.0 168:258.0 169:998.0 170:151.0 171:146.0 172:74.0 173:378.0 174:19.0 175:63.0 179:443.0 180:96.0 181:1769.0 182:319.0 183:466.0 184:155.0 185:113.0 186:17.0 189:56.0 191:177.0 192:91.0 193:138.0 194:17.0 195:287.0 196:37.0 197:244.0 199:98.0 205:58.0 207:315.0 208:253.0 209:687.0 210:113.0 211:49.0 213:136.0 214:47.0 217:30.0 218:14.0 223:5522.0 224:1083.0 225:421.0 226:79.0 227:37.0 229:63.0 233:13.0 234:6.0 237:26.0 238:13.0 239:92.0 241:19.0 242:37.0 243:70.0 249:20.0 255:168.0 256:238.0 257:302.0 258:98.0 265:420.0 266:57.0 267:53.0 268:15.0 269:13.0 270:146.0 271:532.0 272:54.0 273:59.0 275:23.0 277:1.0 278:3.0 283:5.0 284:5.0 298:15.0 299:40.0 300:79.0 307:29.0 308:18.0 312:43.0 313:4276.0 314:1178.0 315:443.0 316:69.0 352:1.0 355:142.0 375:38.0 380:10.0 389:3.0 393:16.0 401:10.0 432:3.0 442:1.0 467:2.0 470:5.0 478:4.0 498:24.0 UNK_1684 743774 262 1684 85:4327.0 86:2186.0 87:3461.0 88:2118.0 89:32761.0 90:2625.0 91:1533.0 92:170.0 93:407.0 94:368.0 95:624.0 96:729.0 97:2507.0 98:1747.0 99:1982.0 100:6529.0 101:7703.0 102:2830.0 103:88682.0 104:8750.0 105:10214.0 106:883.0 107:193.0 108:349.0 109:388.0 110:1104.0 111:1111.0 112:417.0 113:2639.0 114:28715.0 115:5538.0 116:5143.0 117:46121.0 118:4935.0 119:5857.0 120:563.0 121:271.0 122:71.0 123:161.0 124:198.0 125:355.0 126:1173.0 127:1315.0 128:1516.0 129:61768.0 130:9787.0 131:13048.0 132:2117.0 133:31993.0 134:3987.0 135:2292.0 136:364.0 137:217.0 138:154.0 139:113.0 140:702.0 141:1255.0 142:3751.0 143:6492.0 144:1171.0 145:2094.0 146:324.0 147:149851.0 148:24099.0 149:15396.0 150:1758.0 151:1155.0 152:199.0 153:394.0 154:597.0 155:638.0 156:1390.0 157:47087.0 158:7815.0 159:3290.0 160:499.0 161:1114.0 162:316.0 163:4641.0 164:816.0 165:457.0 166:304.0 167:210.0 168:732.0 169:2282.0 170:3123.0 171:926.0 172:4852.0 173:9187.0 174:3176.0 175:2824.0 176:618.0 177:1773.0 178:426.0 179:290.0 180:528.0 181:295.0 182:353.0 183:260.0 184:319.0 185:574.0 186:703.0 187:450.0 188:1309.0 189:14425.0 190:4696.0 191:10427.0 192:2040.0 193:972.0 194:133.0 195:153.0 196:152.0 197:53.0 198:422.0 199:309.0 200:656.0 201:3079.0 202:3126.0 203:2235.0 204:15922.0 205:83046.0 206:17297.0 207:8777.0 208:1948.0 209:273.0 210:208.0 212:115.0 213:202.0 214:1105.0 215:1200.0 216:1599.0 217:51402.0 218:11023.0 219:5198.0 220:818.0 221:3372.0 222:1009.0 223:345.0 224:186.0 225:104.0 226:86.0 227:70.0 228:487.0 229:13828.0 230:4191.0 231:2897.0 232:1272.0 233:564.0 234:267.0 235:177.0 236:99.0 237:158.0 238:86.0 239:110.0 240:665.0 241:267.0 242:460.0 243:1344.0 244:1148.0 245:619.0 246:495.0 247:800.0 248:242.0 249:118.0 250:26.0 252:2.0 253:32.0 254:342.0 255:240.0 256:876.0 257:354.0 258:251.0 259:1040.0 260:485.0 261:231.0 262:16608.0 263:6150.0 264:1824.0 265:918.0 266:273.0 267:134.0 268:474.0 269:152.0 270:166.0 271:54.0 272:151.0 273:18.0 275:145.0 277:1771.0 278:762.0 279:381.0 280:89.0 282:294.0 283:62.0 284:115.0 286:176.0 287:118.0 288:512.0 289:60.0 290:96.0 291:2827.0 292:792.0 293:350.0 294:167.0 298:33.0 300:67.0 301:25.0 302:437.0 303:172.0 304:203.0 305:3438.0 306:1193.0 307:2918.0 308:641.0 309:333.0 312:250.0 314:4.0 315:399.0 316:189.0 317:152.0 318:957.0 319:72176.0 320:22321.0 321:11595.0 322:2280.0 323:577.0 325:308.0 330:203.0 331:537.0 332:699.0 333:1061.0 334:621.0 335:570.0 336:882.0 337:188.0 338:114.0 340:100.0 341:81.0 342:116.0 343:48.0 344:105.0 346:222.0 347:48.0 348:44.0 350:18.0 356:98.0 357:148.0 358:241.0 359:122.0 362:12.0 364:433.0 365:193.0 366:2.0 370:236.0 371:159.0 372:137.0 376:1651.0 377:506.0 378:196.0 379:46.0 384:3.0 386:75.0 387:197.0 388:120.0 389:71.0 391:1.0 393:4.0 400:1.0 402:387.0 403:79.0 405:15.0 430:7.0 432:9.0 443:1.0 445:132.0 446:104.0 460:34.0 462:9.0 465:23.0 466:962.0 467:346.0 468:237.0 469:8.0 472:2.0 476:139.0 477:19.0 478:72.0 479:9.0 491:2.0 492:55.0 UNK_1064 594945 117 1064 85:2612.0 86:2545.0 87:45733.0 88:44013.0 89:24434.0 90:2017.0 91:921.0 92:316.0 93:118.0 94:54.0 96:90.0 97:224.0 98:50.0 99:2686.0 100:561.0 101:102529.0 102:14514.0 103:177816.0 104:15569.0 105:12095.0 106:376.0 107:279.0 111:97.0 112:59.0 113:42.0 114:436.0 115:8036.0 116:197720.0 117:393165.0 118:47689.0 119:23184.0 120:1128.0 121:155.0 127:44.0 129:270.0 130:264.0 131:5599.0 132:1056.0 133:17179.0 134:2100.0 135:1317.0 136:95.0 142:71.0 143:300.0 145:11005.0 146:1769.0 147:43807.0 148:5143.0 149:4105.0 150:427.0 151:54.0 154:78.0 159:817.0 160:1118.0 161:46456.0 162:5442.0 163:1916.0 164:32.0 175:519.0 176:394.0 177:967.0 189:956.0 190:167.0 191:7261.0 192:1117.0 193:578.0 204:125.0 205:1632.0 206:150.0 216:22.0 217:35.0 218:39.0 219:58.0 230:18.0 233:303.0 235:4005.0 236:747.0 237:279.0 248:41.0 251:62.0 262:12.0 264:18.0 279:201.0 295:224.0 304:32.0 312:21.0 350:27.0 411:17.0 436:28.0 455:15.0 463:13.0 476:17.0 483:36.0 486:22.0 500:29.0 UNK_168 878989 122 168 85:766.0 91:896.0 92:145.0 93:1368.0 94:1730.0 95:1772.0 96:3618.0 97:6361.0 98:1759.0 99:131.0 103:55.0 104:23.0 105:404.0 106:247.0 107:712.0 108:1348.0 109:747.0 110:2205.0 111:2234.0 112:1302.0 114:49.0 119:229.0 120:222.0 121:306.0 122:5497.0 123:1445.0 124:1560.0 125:862.0 126:347.0 128:42.0 129:33.0 130:36.0 132:25.0 133:231.0 134:281.0 135:236.0 136:4013.0 137:1139.0 138:966.0 139:309.0 140:234.0 141:44.0 144:26.0 145:23.0 147:364.0 148:308.0 150:1484.0 151:566.0 152:710.0 153:244.0 154:122.0 158:38.0 161:44.0 162:117.0 163:38.0 164:811.0 165:297.0 166:567.0 167:172.0 168:77.0 169:55.0 170:37.0 171:19.0 172:18.0 174:29.0 175:57.0 176:26.0 177:32.0 178:758.0 179:124.0 180:351.0 181:93.0 182:60.0 183:19.0 184:35.0 186:15.0 187:20.0 188:30.0 189:33.0 190:69.0 191:39.0 192:578.0 193:183.0 194:279.0 195:51.0 196:14.0 199:24.0 200:28.0 201:19.0 203:36.0 204:33.0 206:362.0 208:142.0 210:31.0 213:17.0 219:25.0 220:425.0 221:153.0 222:129.0 224:24.0 225:28.0 228:13.0 229:14.0 230:26.0 232:38.0 233:35.0 234:217.0 235:124.0 236:97.0 238:19.0 244:32.0 245:35.0 246:36.0 247:24.0 248:317.0 249:78.0 250:49.0 257:15.0 258:13.0 262:314.0 263:146.0 265:15.0 266:20.0 267:24.0 268:24.0 269:16.0 271:28.0 272:15.0 273:35.0 276:290.0 277:136.0 278:91.0 279:47.0 280:44.0 282:64.0 283:18.0 284:18.0 285:16.0 287:36.0 288:16.0 289:15.0 290:216.0 291:42.0 292:48.0 293:16.0 294:28.0 296:22.0 298:21.0 299:38.0 300:20.0 301:31.0 304:53.0 308:35.0 309:12.0 310:34.0 312:15.0 314:28.0 315:28.0 316:20.0 317:31.0 319:157.0 320:77.0 324:14.0 329:28.0 331:51.0 332:28.0 336:36.0 338:26.0 344:29.0 350:14.0 354:32.0 356:24.0 361:39.0 366:30.0 367:31.0 369:44.0 370:53.0 371:37.0 372:28.0 373:24.0 378:32.0 383:36.0 384:24.0 388:40.0 390:23.0 393:18.0 396:20.0 398:46.0 399:13.0 403:34.0 406:29.0 408:17.0 410:27.0 411:36.0 413:28.0 417:18.0 419:35.0 420:20.0 421:37.0 422:41.0 423:34.0 425:24.0 426:12.0 427:18.0 428:25.0 429:47.0 430:36.0 431:16.0 441:38.0 442:46.0 448:25.0 449:29.0 453:12.0 454:12.0 455:23.0 460:14.0 473:20.0 475:25.0 483:13.0 484:37.0 488:25.0 498:19.0 UNK_91 221732 100 91 86:379.0 87:581.0 89:1002.0 90:211.0 99:101.0 100:5992.0 101:1275.0 103:802.0 104:929.0 105:199.0 106:77.0 116:205.0 119:491.0 120:111.0 132:300.0 146:35.0 147:10413.0 148:1705.0 149:820.0 150:49.0 166:86.0 171:61.0 182:15.0 190:2322.0 240:45.0 259:417.0 260:71.0 261:56.0 385:22.0 436:12.0 METABOLITES_END #END