#METABOLOMICS WORKBENCH tkind_20140611_9435391_mwtab.txt DATATRACK_ID:115 STUDY_ID:ST000063 ANALYSIS_ID:AN000101 PROJECT_ID:PR000059 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Biomarkers for Depression in CSF and Plasma in a Population Sample PR:PROJECT_TYPE biomarker study PR:PROJECT_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted PR:PROJECT_SUMMARY Roel Ophoff (UC Los Angeles) and Steve Horwath (UC Los Angeles). Major PR:PROJECT_SUMMARY disorder (MDD) is one of the most debilitating disorders in the United States PR:PROJECT_SUMMARY a 12-month prevalence of 6.7% in the adult population. The disorder affects PR:PROJECT_SUMMARY of Americans daily and is a major health concern with enormous economic cost PR:PROJECT_SUMMARY society at large. Criteria for MDD diagnosis and treatment are based on various PR:PROJECT_SUMMARY and symptoms not always fitting into strict diagnostic categories such as PR:PROJECT_SUMMARY Despite various known risk factors (such as family history, age, and gender), PR:PROJECT_SUMMARY markers supporting diagnosis or prediction of MDD are unavailable. We have PR:PROJECT_SUMMARY cerebrospinal fluid (CSF) and peripheral blood of more than 600 subjects from PR:PROJECT_SUMMARY general population. For each of the participants we also obtained biometric PR:PROJECT_SUMMARY as well as behavioral trait measures. One of the measures is the Beck PR:PROJECT_SUMMARY Inventory (BDI), a well-established questionnaire for measuring severity of PR:PROJECT_SUMMARY Based on the BDI, roughly 5% of participants suffer from severe depressive PR:PROJECT_SUMMARY while most of these subjects are not under treatment or receiving any PR:PROJECT_SUMMARY for depression In the current investigation, untargeted analysis of primary PR:PROJECT_SUMMARY was conducted on age and gender matched human cerebrospinal fluid (CSF) and PR:PROJECT_SUMMARY from subjects suffering with MDD ( n=50) and control subjects (n=50). Subjects PR:PROJECT_SUMMARY diagnosed as having MDD based on the Beck Depression Inventory. The primary PR:PROJECT_SUMMARY of this study were to 1) identify metabolites which discriminate between PR:PROJECT_SUMMARY with and without depression symptoms in the CSF and plasma and 2) how changes PR:PROJECT_SUMMARY between CSF and plasma. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis, PR:ADDRESS 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 #STUDY ST:STUDY_TITLE Biomarkers for Depression in Human Cerebrospinal Fluid in a Population Sample ST:STUDY_TYPE biomarker study ST:STUDY_SUMMARY This West Coast Metabolomics Center pilot and feasibility project was granted ST:STUDY_SUMMARY Roel Ophoff (UC Los Angeles ) and Steve Horwath (UC Los Angeles ) . Major ST:STUDY_SUMMARY disorder (MDD) is one of the most debilitating disorders in the United States ST:STUDY_SUMMARY a 12-month prevalence of 6.7% in the adult population. The disorder affects ST:STUDY_SUMMARY of Americans daily and is a major health concern with enormous economic cost ST:STUDY_SUMMARY society at large. Criteria for MDD diagnosis and treatment are based on various ST:STUDY_SUMMARY and symptoms not always fitting into strict diagnostic categories such as ST:STUDY_SUMMARY Despite various known risk factors (such as family history, age, and gender), ST:STUDY_SUMMARY markers supporting diagnosis or prediction of MDD are unavailable. We have ST:STUDY_SUMMARY cerebrospinal fluid (CSF) and peripheral blood of more than 600 subjects from ST:STUDY_SUMMARY general population. For each of the participants we also obtained biometric ST:STUDY_SUMMARY as well as behavioral trait measures. One of the measures is the Beck ST:STUDY_SUMMARY Inventory (BDI), a well-established questionnaire for measuring severity of ST:STUDY_SUMMARY Based on the BDI, roughly 5% of participants suffer from severe depressive ST:STUDY_SUMMARY while most of these subjects are not under treatment or receiving any ST:STUDY_SUMMARY for depression In the current investigation, untargeted analysis of primary ST:STUDY_SUMMARY was conducted on age and gender matched human cerebrospinal fluid (CSF) and ST:STUDY_SUMMARY from subjects suffering with MDD ( n=50) and control subjects (n=50). ST:STUDY_SUMMARY were diagnosed as having MDD based on the Beck Depression Inventory.The primary ST:STUDY_SUMMARY of this study were to 1) identify metabolites which discriminate between ST:STUDY_SUMMARY with and without depression symptoms in the CSF and plasma and 2) how changes ST:STUDY_SUMMARY between CSF and plasma. ST:INSTITUTE University of California, Davis ST:DEPARTMENT Genome and Biomedical Sciences Facility ST:LABORATORY WCMC Metabolomics Core ST:LAST_NAME Fiehn ST:FIRST_NAME Oliver ST:ADDRESS 1315 Genome and Biomedical Sciences Facility451 Health Sciences DriveDavis, CA ST:EMAIL ofiehn@ucdavis.edu ST:PHONE (530) 754-8258 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 105 ST:STUDY_COMMENTS 2014-03-03 13:37:37.766 #SUBJECT SU:SUBJECT_TYPE CSF SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS CSF_48 140317ajlsa01_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_17 140317ajlsa04_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_40 140317ajlsa08_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_22 140317ajlsa09_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_37 140317ajlsa10_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_02 140317ajlsa11_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_46 140317ajlsa13_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_27 140317ajlsa18_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_03 140317ajlsa20_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_16 140317ajlsa23_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_14 140317ajlsa24_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_01 140317ajlsa28_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_35 140317ajlsa31_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_08 140317ajlsa32_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_39 140317ajlsa33_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_20 140317ajlsa38_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_45 140317ajlsa41_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_07 140317ajlsa42_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_15 140317ajlsa49_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_28 140317ajlsa50_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_38 140318ajlsa01_2 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_42 140318ajlsa03_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_18 140318ajlsa06_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_32 140318ajlsa08_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_31 140318ajlsa13_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_50 140318ajlsa14_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_34 140318ajlsa16_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_23 140318ajlsa20_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_25 140318ajlsa21_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_44 140318ajlsa24_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_09 140318ajlsa27_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_43 140318ajlsa28_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_49 140318ajlsa30_1 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_12 140318ajlsa31_4 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_04 140318ajlsa32_4 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_36 140318ajlsa33_4 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_24 140318ajlsa34_4 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_41 140318ajlsa36_4 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_30 140318ajlsa37_4 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_29 140318ajlsa41_3 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_05 140318ajlsa44_3 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_47 140318ajlsa47_3 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_21 140318ajlsa48_3 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_10 140318ajlsa49_3 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_11 140319ajlsa01_2 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_06 140319ajlsa03_2 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_33 140319ajlsa04_2 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_19 140319ajlsa05_2 Source:Group 1 - Score 0 SUBJECT_SAMPLE_FACTORS CSF_69 140317ajlsa02_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_52 140317ajlsa03_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_98 140317ajlsa05_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_61 140317ajlsa06_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_59 140317ajlsa07_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_89 140317ajlsa12_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_85 140317ajlsa14_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_81 140317ajlsa16_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_58 140317ajlsa17_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_96 140317ajlsa19_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_51 140317ajlsa21_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_62 140317ajlsa22_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_80 140317ajlsa25_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_66 140317ajlsa26_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_91 140317ajlsa27_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_77 140317ajlsa29_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_92 140317ajlsa30_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_78 140317ajlsa34_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_71 140317ajlsa35_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_76 140317ajlsa36_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_84 140317ajlsa37_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_55 140317ajlsa39_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_65 140317ajlsa43_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_95 140317ajlsa45_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_73 140317ajlsa46_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_75 140317ajlsa47_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_56 140317ajlsa48_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_60 140318ajlsa02_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_67 140318ajlsa04_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_94 140318ajlsa07_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_54 140318ajlsa09_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_53 140318ajlsa10_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_68 140318ajlsa11_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_99 140318ajlsa12_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_64 140318ajlsa15_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_72 140318ajlsa17_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_87 140318ajlsa22_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_79 140318ajlsa25_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_90 140318ajlsa26_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_63 140318ajlsa29_1 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_88 140318ajlsa35_4 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_74 140318ajlsa39_4 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_70 140318ajlsa40_4 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_82 140318ajlsa42_3 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_83 140318ajlsa43_3 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_86 140318ajlsa45_3 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_100 140318ajlsa46_3 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_97 140318ajlsa50_3 Source:Group 2 - Score 50 SUBJECT_SAMPLE_FACTORS CSF_57 140319ajlsa02_2 Source:Group 2 - Score 50 #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME CSF_Extraction_Protocol_Primary_Metabolites.docx SP:SAMPLE_SPIKING FAMEs #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 6890N CH:COLUMN_NAME Restek Corporation Rtx-5Sil MS CH:METHODS_FILENAME Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf CH:COLUMN_PRESSURE 7.7 PSI (initial condition) CH:COLUMN_TEMPERATURE 50 - 330C CH:FLOW_RATE 1 ml/min CH:INJECTION_TEMPERATURE 50C ramped to 250C by 12C/s CH:SAMPLE_INJECTION 0.5l CH:OVEN_TEMPERATURE 50C for 1 min, then ramped at 20C/min to 330C, held constant for 5 min CH:TRANSFERLINE_TEMPERATURE 230C CH:WASHING_BUFFER Ethyl Acetate CH:SAMPLE_LOOP_SIZE 30 m length x 0.25 mm internal diameter CH:RANDOMIZATION_ORDER Excel generated #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME WCMC Metabolomics Core AN:ACQUISITION_PARAMETERS_FILE Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf AN:SOFTWARE_VERSION ChromaTOF AN:OPERATOR_NAME Joyce Lopez AN:PROCESSING_PARAMETERS_FILE Data_Dictionary_Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general.pdf AN:DETECTOR_TYPE TOF AN:DATA_FORMAT .peg, .txt, .cdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Leco GC-TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:ION_SOURCE_TEMPERATURE 250°C MS:IONIZATION_ENERGY 70eV MS:MASS_ACCURACY Nominal MS:SOURCE_TEMPERATURE 250°C MS:SCANNING_RANGE 80-500 Da #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 140317ajlsa01_1 140317ajlsa04_1 140317ajlsa08_1 140317ajlsa09_1 140317ajlsa10_1 140317ajlsa11_1 140317ajlsa13_1 140317ajlsa18_1 140317ajlsa20_1 140317ajlsa23_1 140317ajlsa24_1 140317ajlsa28_1 140317ajlsa31_1 140317ajlsa32_1 140317ajlsa33_1 140317ajlsa38_1 140317ajlsa41_1 140317ajlsa42_1 140317ajlsa49_1 140317ajlsa50_1 140318ajlsa01_2 140318ajlsa03_1 140318ajlsa06_1 140318ajlsa08_1 140318ajlsa13_1 140318ajlsa14_1 140318ajlsa16_1 140318ajlsa20_1 140318ajlsa21_1 140318ajlsa24_1 140318ajlsa27_1 140318ajlsa28_1 140318ajlsa30_1 140318ajlsa31_4 140318ajlsa32_4 140318ajlsa33_4 140318ajlsa34_4 140318ajlsa37_4 140318ajlsa41_3 140318ajlsa44_3 140318ajlsa47_3 140318ajlsa48_3 140318ajlsa49_3 140319ajlsa01_2 140319ajlsa03_2 140319ajlsa04_2 140319ajlsa05_2 140317ajlsa02_1 140317ajlsa03_1 140317ajlsa05_1 140317ajlsa06_1 140317ajlsa07_1 140317ajlsa12_1 140317ajlsa14_1 140317ajlsa16_1 140317ajlsa17_1 140317ajlsa19_1 140317ajlsa21_1 140317ajlsa22_1 140317ajlsa25_1 140317ajlsa26_1 140317ajlsa27_1 140317ajlsa29_1 140317ajlsa30_1 140317ajlsa34_1 140317ajlsa36_1 140317ajlsa39_1 140317ajlsa43_1 140317ajlsa45_1 140317ajlsa46_1 140317ajlsa47_1 140317ajlsa48_1 140318ajlsa02_1 140318ajlsa04_1 140318ajlsa07_1 140318ajlsa09_1 140318ajlsa10_1 140318ajlsa11_1 140318ajlsa12_1 140318ajlsa15_1 140318ajlsa17_1 140318ajlsa22_1 140318ajlsa25_1 140318ajlsa26_1 140318ajlsa29_1 140318ajlsa35_4 140318ajlsa39_4 140318ajlsa40_4 140318ajlsa42_3 140318ajlsa43_3 140318ajlsa45_3 140318ajlsa46_3 140318ajlsa50_3 140319ajlsa02_2 Factors Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 1 - Score 0 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 Source:Group 2 - Score 50 1_5-anhydroglucitol 96629.8049 345555.7970 151230.9977 141510.3807 205088.6462 144416.9326 100515.1851 185925.0514 174895.9548 313958.9550 360378.4786 136636.0443 151882.1251 100576.2494 281221.1333 198378.1715 121458.6015 157115.5653 262729.0793 143840.4069 302523.7443 137979.9501 289899.7560 342532.4599 210856.7647 159226.7501 254879.3388 148922.0589 199770.4238 99238.6408 203630.1750 178931.4413 152086.3332 312493.4190 277796.9265 229250.2563 221777.4280 161433.3851 429229.1662 310507.5582 229678.0430 137214.2568 552741.1527 142158.2824 294995.2855 353082.4198 325919.0691 85879.2340 136907.0949 112152.9866 106964.5462 101199.8580 137142.1801 100956.2442 135571.8158 164196.3369 151241.0968 153489.2644 76163.7375 158947.1244 140570.9738 189202.6630 91707.7858 113777.8810 213655.8527 148840.8493 138531.2950 125500.8502 101201.1561 130424.3621 128168.8086 170073.7445 130884.4681 150215.0625 160277.2770 50595.8850 254337.2470 131447.5756 185907.8109 160182.8602 116392.4428 168500.1704 122987.2303 123722.2610 141084.6230 528466.7322 247532.0542 116244.1475 110483.6909 175743.3971 144897.0831 270246.4745 180147.1263 202762.4108 1-deoxyerythritol 2655.2352 2867.6057 1988.6430 1898.4119 2207.2914 1150.0612 1614.5756 2038.2176 2043.9386 2672.1799 4119.9230 750.1009 1181.3794 2375.8927 1288.3894 429.8010 1156.3120 1253.2044 6699.5944 2492.3747 1901.9381 2213.8493 1587.0856 2263.1177 1504.5832 1231.4979 3634.5790 1265.6309 1356.6004 1995.0280 1881.1492 1056.6182 3601.3874 2754.0866 4645.3620 2012.0898 4026.7880 3984.5794 4123.0267 2784.6468 573.1786 3195.7283 2816.0851 1984.9640 3161.1810 3264.4458 3890.1206 2732.9146 2599.6215 1311.1770 1558.5520 2408.1567 1430.1054 1294.8376 1324.8706 1796.1067 1681.0429 1866.9520 1639.0138 1539.0288 2173.1556 1884.6673 1130.3953 2274.1470 2375.1695 2201.6814 3018.8392 2355.1135 4392.8061 1554.4686 1236.0569 1775.7094 4410.8895 2777.1155 1569.3870 1856.0300 1593.1703 1965.0103 1239.7819 1831.2553 1434.3985 1917.2632 3942.5020 1964.8440 1994.0566 2158.3755 4344.8677 1268.0446 2047.1377 2239.2987 1559.9538 1615.2945 3934.8904 1889.9346 1-hexadecanol 186.5778 302.3435 327.7325 233.9935 516.7909 383.7637 481.8289 541.7038 412.2800 439.4107 437.5685 331.0790 346.0942 357.8267 324.0210 631.4542 606.1724 305.0353 284.2705 265.7911 313.9249 152.7443 281.0310 180.9317 323.2596 295.5101 522.8872 370.7250 552.9689 434.1233 353.4894 558.5558 412.9051 725.8894 389.8871 591.9359 590.0807 435.2335 176.9278 388.8842 406.5898 365.2024 590.0650 473.1460 532.2444 716.7133 955.8582 245.3185 210.8824 345.1573 365.6995 355.1140 256.4327 306.2789 297.2177 281.3554 137.0013 220.7681 300.1649 303.8154 214.3410 168.1071 189.0262 277.8563 284.8552 437.2271 360.1840 172.8049 173.4776 264.5406 201.2975 249.4708 250.1546 279.1265 288.0888 267.5686 275.9347 295.2355 287.3513 299.2184 272.6993 325.4587 214.2769 232.7617 285.5964 629.7737 599.2921 374.4712 526.9543 232.2404 361.2107 404.4255 209.1753 437.3820 1-monoolein 4474.3687 3135.2263 2654.3764 4047.5312 2634.4006 3376.3828 266.3526 1490.8236 337.5845 252.1741 531.5533 175.8857 160.5678 209.6942 219.7187 256.1143 130.7431 114.1216 269.3391 242.4761 218.0399 3980.7802 254.4070 261.8362 205.6026 140.9546 239.2295 262.8501 336.3160 299.4697 4145.0576 4580.3594 185.6385 5798.3699 6867.0052 7425.6576 4940.2667 4909.0288 5863.0196 7633.9152 7280.4981 4923.1938 4055.9591 4288.8396 6278.0852 5048.3817 7534.6608 3387.8373 3783.5888 4216.6021 4060.3846 4174.8171 3982.3779 4096.1688 175.6287 201.4131 3560.1823 123.9930 4514.9337 3803.5869 153.1007 161.2583 173.0389 229.7658 197.4721 4530.6444 123.3062 173.8397 3602.8458 159.1926 182.0724 221.1466 237.3916 4100.7152 123.1347 266.3579 118.8332 3988.0998 162.9869 136.0083 174.5276 4252.6023 202.7463 184.5318 183.2321 4647.7641 7296.9363 5582.3112 6212.7382 6441.2568 5638.4590 6074.8073 4014.4756 7604.1839 1-monopalmitin 120.1095 160.0642 198.5220 327.3124 249.9878 292.7428 6471.7695 143.3922 278.4102 319.2763 139.4364 486.2723 279.5377 174.1039 205.1848 453.3517 368.4577 245.3081 282.5476 291.4376 346.7622 248.9166 219.6479 175.0478 336.3326 258.4167 284.5122 182.3238 306.0853 255.3033 260.0511 176.4391 109.1330 362.5472 518.2645 536.5573 173.7661 435.2335 320.9103 262.7915 405.1780 275.7651 81.8715 236.1713 338.5332 285.9878 112.2048 192.0367 204.2627 252.5542 167.0605 164.1925 222.4608 231.5767 145.0062 177.5342 209.2047 292.3413 208.4164 298.3739 249.3355 149.4285 173.0389 282.1310 163.7573 226.3865 284.4696 225.5777 317.5522 317.2146 277.0667 338.8010 248.8783 483.6477 350.8178 273.6222 277.9488 236.1884 106.5981 254.5299 165.8012 249.2875 270.9689 246.3919 198.5867 303.8531 547.1315 493.3153 242.7184 242.4863 234.1915 75.8298 290.8734 619.2036 1-monostearin 271.7039 289.6400 284.0919 454.0589 211.8731 263.2226 8295.8359 427.9005 345.3451 256.5033 344.3541 205.6311 306.9922 367.4457 404.3850 426.8571 480.5232 204.7789 353.1845 258.7966 329.6868 511.9762 234.4390 475.1297 457.5549 275.7270 437.4482 385.9187 248.1432 264.9983 317.4650 339.7713 93.3818 480.2160 380.3776 569.7845 553.8794 598.3055 368.4978 619.8579 461.6488 346.1556 267.7420 291.5993 424.3196 384.5140 447.7608 404.0540 162.6537 284.1234 222.0682 402.2080 353.9648 276.3980 238.6748 239.8270 362.8683 410.2859 320.5535 288.3979 285.2048 395.3630 251.0945 336.6336 446.5484 376.0153 230.3879 290.7675 180.3383 291.4629 222.7843 394.3600 193.9975 245.6827 255.5626 360.7938 364.5560 286.5237 239.4594 209.8415 293.4245 269.1959 471.7934 353.3364 305.0456 471.9059 634.8057 439.4991 76.6479 289.1621 372.1264 405.6291 350.0341 772.7418 2_3-dihydroxybutanoic acid NIST 367.3250 338.7603 331.1553 271.5996 344.1536 111.9311 190.0381 337.9959 255.1285 419.9295 443.7314 327.1992 314.4799 376.1028 325.7308 348.8453 366.7597 218.6442 592.0866 373.8173 199.6510 365.8320 195.9822 426.5870 333.9557 243.5794 382.7671 221.8273 296.0084 204.6735 267.9315 161.3158 230.6418 515.9937 670.4156 377.8052 433.2085 673.6560 225.7354 529.1182 280.9422 434.7648 462.4634 522.1475 494.4246 717.5852 483.7511 209.7973 124.8272 147.3233 180.3031 347.4772 254.2410 394.6765 168.4234 378.9474 313.8070 256.0507 201.6202 390.8789 260.7087 308.8190 304.6989 262.8948 369.4861 276.9105 209.8369 193.5001 247.9652 188.4559 78.0310 383.4661 172.3004 128.6297 206.7734 277.2543 171.2003 277.8118 364.5963 225.3853 197.4343 334.9801 319.0131 257.9251 291.7383 249.5330 281.8892 538.1622 343.8510 382.5137 396.9348 492.2917 301.4378 449.5034 2_3-dihydroxypyridine 81.6278 70.2928 106.1066 242.3505 239.8986 136.5313 222.9581 209.3981 166.8521 135.2865 46.9924 58.1975 89.8514 95.2281 106.0121 229.6197 176.5880 92.7905 45.9427 99.4774 98.5120 104.6581 87.2675 126.5051 115.2801 179.2843 129.0130 124.5879 134.7783 39.8575 136.2173 131.0691 173.2626 77.1208 121.2454 172.2890 1490.2856 211.4313 284.3046 155.5537 275.2952 102.6873 79.6588 91.5766 108.8472 122.0680 124.9073 88.8031 88.8921 133.6432 119.1834 35.6387 109.5866 151.8944 224.2643 76.8277 174.9544 46.3714 106.4736 106.1086 170.5980 89.0345 159.8729 236.1779 135.5470 262.3363 213.0818 88.9893 73.5075 78.4257 107.4340 123.1013 88.0646 177.5090 49.9509 211.8756 138.9744 70.6629 73.3827 157.3811 136.3497 73.5744 59.5747 100.6537 153.5465 125.6152 193.1052 159.2063 106.4554 137.7505 153.8122 95.0881 119.0257 111.1132 2-deoxyerythritol 2187.6246 1858.9470 1152.6257 1302.2855 1504.4109 892.9887 1614.5756 1654.7004 2043.9386 1912.4107 3176.9937 750.1009 804.5027 2000.7517 1062.6862 429.8010 1156.3120 968.4337 6283.2387 1823.2339 1662.8823 1423.7276 1280.9098 1202.5341 1504.5832 966.8990 2845.9762 606.2265 1356.6004 1700.9445 1881.1492 786.4143 8229.9748 2256.3792 3794.2670 7194.2980 3430.6737 3607.8269 3709.3818 2464.1119 899.2975 1299.3257 2816.0851 2114.2959 2835.5618 2620.9733 2891.9210 2304.4398 2004.8009 8003.8621 1249.8976 1798.4807 1430.1054 895.1810 995.2291 1361.0959 1444.0677 1405.2544 1181.4039 1138.1739 1438.2721 1291.9341 919.7393 1806.0660 1795.1382 1814.0067 2408.7979 1831.5250 3317.6369 6064.5344 1006.4873 1775.7094 13518.5596 2378.3634 1031.5438 1128.3887 1285.0096 1600.0798 4344.2577 1608.7845 1199.8771 1704.3301 3199.7396 1505.6115 1603.0250 1944.4900 3880.9713 1268.0446 1737.3524 7207.4226 1083.6320 1615.2945 13072.4002 1338.4091 2-deoxytetronic acid 3742.0509 5120.3614 4316.9983 2431.8615 5293.4636 2857.3178 4206.2761 4817.2949 3614.4828 3950.3673 5660.6571 3017.2160 5747.9930 6676.5469 5231.3570 3148.4393 3912.1039 5600.4903 6599.0947 5966.3114 3189.1614 6696.2342 3453.7232 5085.9470 2983.0205 3908.3986 5976.4645 4141.0287 4275.1176 4235.6643 4598.7399 3560.0372 8676.6323 3707.3631 7012.0242 5799.9874 4269.3365 6288.9552 4936.8944 4204.6634 3048.0115 3514.5559 6908.9233 5381.3329 6197.8334 6309.1692 9700.4260 3854.0535 2585.4366 3617.8383 3027.4618 3982.6228 3191.1625 3527.1873 3318.0307 3799.8558 3593.5069 4307.4979 2230.2821 3702.0128 4667.3854 4888.8033 4239.4526 4285.3991 5723.9383 2842.9478 4229.1871 4893.3794 4220.3085 2880.6831 2893.9337 3946.8682 2904.8567 4622.9518 3701.0118 3709.6385 3396.8163 3831.2862 5818.0919 4649.5425 3969.4116 3491.7561 5762.4140 7991.4838 4520.4076 4804.7831 6260.3829 3291.7585 2874.2963 4382.9690 3463.2562 4433.0325 9648.8273 4503.1153 2-hydroxybutanoic acid 25542.4998 72564.9897 32650.0274 30462.3380 43947.4069 41043.0386 40843.2254 58311.6879 50695.8855 38566.4073 45578.7668 36354.0260 77006.7998 61797.2565 38773.0844 41093.0944 72569.1882 59253.6358 46871.3180 78347.7634 30286.5253 79657.0893 35344.8263 36718.8454 23773.8414 38474.4194 48368.7793 30729.9125 42295.1966 60190.1682 39151.7687 41712.2227 113372.2619 23142.5958 21988.2053 66458.0354 162740.3966 22539.9212 37724.6572 24697.6838 27458.9271 20479.4926 35015.1932 45115.1540 45432.6372 42111.6992 50463.5974 47542.9464 18816.7584 50620.2712 42084.9794 35511.4017 33349.4013 51185.9251 60342.4050 47008.1614 31707.4683 44776.6068 32234.3160 44072.2715 68138.5771 67860.4743 53043.0001 47969.7532 54928.2025 36153.8231 45921.8328 39462.6370 39390.1997 35547.9340 45090.6316 63637.9396 29741.5969 36143.6624 36271.3098 46964.9432 31221.9077 32362.6554 40316.4724 35669.1607 46482.1484 18735.5134 65633.0981 56361.8740 52789.2706 22346.7824 19382.6603 22717.1701 34036.9907 44987.4772 25482.2225 22647.8252 55787.1246 59152.6310 2-hydroxyglutaric acid 545.7400 217.6535 196.8106 165.7454 261.1980 257.0725 362.1198 298.1647 288.1109 329.0169 366.6947 227.6168 235.4439 242.3988 228.2681 319.4069 247.9024 273.0386 281.3990 227.7099 94.5715 323.4030 238.8764 168.4283 128.3531 189.1759 260.5892 445.1739 345.1332 328.5548 149.7264 225.8421 398.2790 193.9946 292.4153 114.4491 203.9338 263.1644 148.8633 228.6168 189.1772 177.2184 124.6512 137.3650 174.3400 285.9878 243.4633 164.2857 350.8402 460.9113 183.3591 99.2792 304.6508 253.9874 226.0656 310.4254 261.0430 125.0011 195.9567 155.0819 200.3433 311.3094 243.5710 310.9853 243.5718 150.6004 351.5309 197.6391 295.9901 320.7262 252.1873 260.3648 522.0063 248.2553 234.6530 259.0935 231.6240 112.2863 397.0392 166.1245 249.7926 105.6010 408.3752 82.8296 17.4019 226.6167 176.4582 172.6604 208.6526 298.2696 169.6896 78.2371 161.2833 217.1758 2-hydroxyvaleric acid 5636.9816 11376.4166 5530.3786 7693.9305 9967.0024 6875.7668 10758.8492 14405.2254 9634.7404 7862.8543 13515.3196 7881.2321 11816.2896 11670.7310 9223.9109 6504.4195 10466.2364 8144.2286 7038.9961 9411.4928 5357.7386 10079.2373 6650.8207 419.9676 6783.6976 6005.4072 9153.0900 7331.6948 7877.6032 8486.4098 7898.3498 7894.3900 10651.1512 6651.4689 9382.2524 9184.2364 8608.6620 7568.7890 7352.8733 8719.2558 5007.5483 6898.2682 12336.7835 8454.7736 9772.2648 8631.9480 11123.0986 8670.5103 5376.0816 11831.1099 7437.2473 10727.2435 8228.8596 5369.8408 5717.3884 6828.3201 8638.4870 7961.7642 8200.7326 8707.2574 4916.7209 8953.8818 5762.0067 8346.3758 13452.1838 7570.8301 11115.9477 6478.6315 13276.4281 5151.5182 5476.8742 5992.7469 5558.2824 6908.7018 6989.6385 4622.5195 6069.5558 7528.9903 7203.8668 8629.7297 6788.0320 5664.3659 7790.8376 7038.4192 7931.1861 8576.6355 6004.0190 4220.0883 4641.4562 5676.2295 3946.5244 6440.7160 9041.0216 9529.4727 2-ketoglucose dimethylacetal NIST 93.2889 105.0157 120.6535 213.1013 242.1406 147.6014 267.8490 108.1132 79.5458 216.4585 211.0806 126.7412 152.2482 99.0757 167.5676 158.9675 230.9228 77.8587 116.0053 93.2600 148.4247 94.2866 100.5795 83.8464 87.9456 108.8070 125.5955 96.4797 227.9895 109.8774 92.3125 93.7648 94.5069 211.4859 339.9625 319.9654 292.0236 765.8760 488.0766 276.9327 207.5302 244.2964 442.5487 224.9251 199.2457 369.6915 419.1803 123.2143 89.8378 43.1447 225.1242 183.2847 104.1073 168.0799 78.3574 104.8594 101.8253 69.5571 215.2126 109.7363 70.8638 74.0916 67.7109 57.7086 110.7770 91.3319 128.7144 97.2674 69.5871 110.0302 121.0047 67.5423 236.1153 102.9038 121.9731 78.6966 105.7414 76.4708 69.5205 84.5195 62.1755 89.1549 122.9930 77.5872 101.3407 176.5403 337.3793 184.9932 225.6855 346.0838 210.3754 359.8905 135.2244 155.5585 2-ketoisocaproic acid 951.5467 1078.1045 1399.9226 1282.7860 1267.8753 906.5188 1328.7703 1264.3550 1651.0600 1270.6113 2185.5313 1200.1614 1739.6227 1299.5267 1812.4656 943.5015 1616.4596 1135.8831 1625.7973 1726.8652 1796.8586 1231.3830 906.6948 1652.6570 1554.4983 1314.3397 1501.1649 1201.8175 1671.5029 1719.2574 1440.9760 1031.4126 1123.9569 1223.5968 1174.4160 947.5897 1333.4135 1316.9468 1104.2732 1607.3881 1246.5929 822.3266 1113.7476 1236.2847 820.9662 1547.6472 1128.3996 1026.7856 1175.4564 983.9089 979.9523 1262.6276 807.6534 1537.6196 1238.4072 1171.1031 875.6975 1160.2925 1513.2844 412.6447 906.3564 1188.5794 880.2413 1095.3950 1177.9520 1439.9346 1321.7562 831.9469 1505.4329 1055.8213 1087.9110 917.2683 866.6071 1292.7286 1038.5137 1186.5032 1675.7493 1294.1965 1004.9572 1339.6822 1666.7384 1068.9933 1104.0543 1068.3970 902.8531 874.2142 907.8166 894.6946 535.4708 994.9909 540.8237 943.6594 806.4166 1154.5672 3_6-anhydro-D-galactose 227.3917 344.6886 275.5349 149.0316 369.9371 361.6235 463.8725 319.7874 311.3926 448.0691 512.2941 481.0992 364.3973 317.4270 559.1285 457.7675 412.6047 420.2234 775.8574 550.2343 564.8021 519.5192 481.4505 534.7048 537.1814 322.7118 387.8935 350.9733 660.0358 596.7848 424.4125 485.9637 307.1474 87.4566 141.4529 115.6798 130.3246 147.3271 278.2036 91.9181 196.2360 108.4842 109.1620 95.5932 89.4761 139.5062 139.7268 190.9266 149.4144 156.7940 241.4228 271.1086 185.2014 211.6561 146.8075 252.2855 191.6167 170.3644 233.3358 180.4754 131.2292 107.7131 232.2859 91.9063 216.0496 144.7708 272.5716 194.5349 265.6070 180.2622 206.9519 200.4482 225.9049 230.2472 205.6118 306.3115 228.6028 268.1320 225.5553 248.7010 194.1619 249.2875 327.6610 211.7921 227.2488 89.1189 123.1878 124.4500 170.3287 137.7505 101.2184 74.6261 82.4024 87.8804 3_6-anhydro-D-glucose 227.3917 344.6886 342.2794 149.0316 328.4593 293.9729 463.8725 319.7874 311.3926 448.0691 418.3093 481.0992 364.3973 259.7130 452.2615 457.7675 412.6047 335.9654 676.5063 513.7074 483.3655 625.1201 274.3750 534.7048 434.9743 215.1412 460.5167 436.0577 558.0074 596.7848 473.9460 434.5443 240.7675 80.3010 141.4529 111.9879 106.1904 93.3446 192.7902 95.4534 163.7653 108.4842 81.8715 102.0196 98.7004 116.8365 128.0829 190.9266 149.4144 156.7940 241.4228 271.1086 185.2014 211.6561 146.8075 252.2855 261.0430 170.3644 233.3358 180.4754 131.2292 107.7131 232.2859 91.9063 216.0496 144.7708 272.5716 154.1792 265.6070 180.2622 206.9519 200.4482 225.9049 230.2472 205.6118 306.3115 228.6028 268.1320 225.5553 248.7010 194.1619 249.2875 327.6610 211.7921 144.3337 58.5639 174.2386 124.4500 81.9707 108.1512 101.2184 87.8662 76.0637 87.8804 3-hydroxy-3-methylglutaric acid 129.4383 223.5818 210.5018 193.6018 174.8794 205.4120 255.8781 244.6772 192.0740 192.6480 205.6880 249.6025 166.3915 237.5893 142.7744 242.8670 193.5676 121.5875 113.7082 181.8571 162.8732 113.1439 204.1173 199.3191 155.6875 194.1217 117.0516 176.2463 303.5661 121.7269 111.4505 187.5296 154.1362 172.5279 162.8492 190.7486 193.0734 106.8403 101.2759 110.7731 240.0009 154.8591 163.0054 179.1368 190.0214 340.9183 270.9853 147.6351 121.0446 215.7233 224.1055 150.1916 219.1732 148.1593 126.9930 225.2920 239.7523 116.9365 90.6158 136.0367 93.6102 149.4285 114.7323 100.4557 143.8037 145.7424 197.9389 72.4332 110.7512 143.9756 136.8370 167.7664 94.4461 79.7504 151.0143 227.6149 128.9038 108.4144 127.4542 73.8331 170.1644 101.2730 89.3621 222.2769 101.3407 137.4978 241.9364 189.4779 153.2958 193.5337 129.0038 261.1914 241.5728 154.5484 3-hydroxybutyric acid 5821.2271 9808.8035 4682.3815 9425.2042 9454.6956 10209.0992 9986.7260 11141.3460 7802.2772 7836.8793 10023.2458 7061.2943 12009.3037 12955.8292 8666.4923 10453.5839 22282.3524 13309.5637 10538.6814 21007.6022 6526.7475 31202.2638 7419.2186 7748.4384 5412.2212 12291.4871 10338.9846 8778.1301 6243.8885 10041.9284 6481.0148 5717.6355 12640.2962 10306.3580 15508.7098 16358.8442 18840.3477 7644.1395 11811.4527 7703.4430 5305.4318 10212.4182 13358.3335 15890.1546 6838.9250 16515.7938 15955.3165 6954.3908 4355.7136 13879.9555 6893.2821 7174.8305 6645.3329 10158.2497 6633.3594 7558.1831 6060.4559 7072.6434 6765.6044 14456.1694 22225.8529 11907.5856 11712.0991 7995.8494 13673.7379 9698.6687 8567.6191 10839.1096 7660.4578 7229.2153 14614.4220 11639.0672 6109.6436 3763.7053 6082.3910 20387.2723 9966.8813 6136.0594 13064.4435 6560.4598 8622.7532 5634.9361 6783.8324 13721.4050 7205.4232 10951.4426 12197.8139 6891.8391 6614.0751 11477.6867 11161.8069 7668.4361 23067.0358 13630.5602 5-aminovaleric acid 215.7306 237.9791 240.4512 332.8837 254.4719 314.8831 318.7253 361.8946 273.5599 296.5481 251.1397 350.4782 294.5129 339.5507 242.8020 387.1153 402.4169 381.8274 278.5276 251.8021 329.6868 291.3456 311.3528 279.4880 357.7248 315.2932 287.9297 281.8422 445.9021 392.1113 298.3271 282.3026 246.3930 290.9918 378.0003 350.7313 294.4370 278.9093 303.8277 470.1964 328.9424 327.1088 379.1167 261.0738 334.8435 301.6822 380.0145 260.8590 227.9042 295.6988 234.2921 302.9288 267.3914 319.9743 294.5158 237.7505 320.2868 314.5189 335.2786 196.7998 313.2004 181.1821 291.5329 307.7793 293.1119 368.2424 332.0615 293.8718 258.7463 289.1218 271.4123 321.3707 233.5627 376.8851 260.2092 375.3224 376.6408 271.0359 252.5911 312.8192 328.3300 315.0717 331.5046 222.2769 220.0832 235.1042 352.9165 301.5950 311.9144 310.7923 327.4712 399.6109 323.9752 407.0784 acetoacetate 780.1284 616.5437 533.1001 2330.1857 839.6451 676.5066 1077.3813 595.1914 1046.7061 615.8244 408.2945 854.8563 467.5600 911.8811 536.0452 925.8384 1139.3323 884.1757 323.3218 259.5738 773.6475 571.3768 266.9795 310.3788 715.4495 955.7710 567.3156 429.2206 745.6893 712.0483 605.6602 502.0953 424.1559 1075.7157 1263.5670 1304.4742 1248.9438 1170.7443 1295.8433 1435.3363 1704.0064 1765.5592 1477.3752 2285.3996 1225.9147 2789.2527 2472.7406 1002.3647 634.5384 1350.1124 779.2760 1071.7061 806.5575 815.4987 759.2562 604.2394 611.8774 728.8371 732.8555 729.1569 550.2878 1155.5806 1120.0506 1358.2898 992.1768 684.9891 669.5312 624.9950 615.5025 795.9628 856.0797 934.6986 201.6553 836.0931 516.9335 670.7375 1275.9461 719.2131 506.7271 734.4451 769.0121 648.3206 760.0583 892.2530 426.8591 1312.1701 1145.3138 1544.9739 1192.3007 1473.1330 2040.2449 1357.7140 2994.6579 3284.9105 acetophenone NIST 1018.0151 871.4608 464.6442 300.8488 1175.9516 879.4585 1250.9594 1441.8882 1032.1550 1574.7354 831.9964 1240.2530 831.1253 1160.0512 599.3106 1227.5822 1034.0587 728.4584 755.7574 494.2782 793.3499 775.0358 569.4576 441.2969 817.6566 499.5233 827.9048 640.4123 573.1227 1015.8269 647.3134 1032.4209 453.4080 305.3029 194.9435 276.8931 360.8060 334.0164 262.3411 223.9030 285.1775 158.9997 245.6145 124.5121 142.9773 258.9584 170.4243 763.7064 531.4614 766.0809 659.0740 554.9452 547.9331 657.3791 654.7797 671.7231 656.3103 976.8232 1010.3665 640.2795 609.7784 638.8069 1150.1443 1117.8373 315.8177 780.2075 494.3065 631.2035 458.6866 527.9106 614.0703 351.8737 465.8492 656.0115 742.2933 464.9155 768.3874 544.9758 421.7576 408.9965 551.9435 501.1717 502.5417 638.5219 559.9327 237.6505 265.2422 264.5964 256.5576 265.2550 334.4176 280.4498 140.8588 171.7204 aconitic acid 555.0689 804.5556 732.4778 317.5627 551.5426 284.1328 846.9414 1177.8645 1104.9103 474.0441 1012.2623 387.9832 648.9267 580.9875 38.4721 565.2177 455.0538 537.5447 734.5089 750.7434 366.4646 949.4660 897.8201 784.0375 482.5125 604.6210 668.1337 706.5046 104.5477 1053.5299 282.5664 277.2615 507.4120 575.6232 349.4720 253.5110 161.6990 237.2978 233.0566 595.1107 190.5890 414.0617 134.9774 667.5455 383.7325 442.0604 422.3560 531.7084 771.6592 771.3425 560.2638 325.8394 947.9243 749.5117 743.0443 641.6150 579.4784 510.0852 463.2734 469.7802 1038.4604 1009.2652 637.6107 724.5637 710.0738 550.9061 650.0617 584.6393 1009.5025 447.1438 929.5872 474.9750 358.6400 339.5824 621.4819 537.5586 657.6107 335.8909 1115.4175 515.8602 481.0416 631.0090 687.0312 867.0896 463.7103 208.7929 652.5625 242.1730 201.2007 212.8871 422.7356 279.2461 454.2696 190.9127 adipic acid 5078.4143 825.7281 1061.9217 747.9436 1401.2769 986.4696 1698.3719 1358.8118 1613.2273 1056.3174 1406.6902 1890.7715 827.7975 1496.7162 1215.7198 1024.4571 1500.9982 2219.5049 856.8314 1970.1184 1195.2788 1699.0445 951.0681 817.1348 1181.3237 1918.9607 1179.0595 1140.2833 1090.8226 1573.8315 1348.6635 1844.0408 1623.4933 595.4997 1097.1518 908.2094 621.4551 666.9082 517.3611 1235.0020 855.5326 597.0770 1226.5976 1348.7473 779.4567 583.3104 699.6924 748.1659 873.7906 1393.2571 1189.7966 1206.6240 1212.0281 1375.7649 734.9384 1021.6006 983.0768 858.8786 738.5190 813.4996 1141.6941 771.4248 1128.5144 1228.9798 698.3769 914.2904 1176.8173 898.1716 1140.8358 762.0174 1174.9891 784.3624 1415.4157 1067.6266 982.7546 1031.5313 908.3689 827.6275 1018.8613 1199.7879 1137.7017 636.2025 919.5648 887.0107 1738.1459 600.9162 803.4953 831.9090 730.2842 594.2623 759.1378 903.9390 1151.5206 1126.2839 alanine 43302.3734 45308.3387 53508.5312 55241.9756 64374.6611 44050.4178 52722.8504 36524.0405 59654.4868 44526.5916 69808.3514 68877.3646 80097.5212 49210.7969 54896.3336 47682.8853 66631.4159 41118.9686 101349.5987 53436.4512 56301.5708 50437.6726 50493.8768 55503.3841 38944.4616 28917.9459 50256.9832 49926.3269 56658.5335 66279.7435 54288.7715 49648.9581 46606.5214 47577.9587 42651.0322 41791.1676 28705.1938 55726.7555 55240.5047 73691.2044 40788.8598 28339.2122 24888.9407 44505.4463 42397.8296 39394.8154 35395.3342 48581.9424 58126.9317 40906.4070 48599.3194 39429.1112 42831.9318 41758.5116 45234.7376 43279.9422 47279.3315 45715.1232 50658.7796 40532.5959 41157.8527 42222.2751 39213.0556 36952.7508 38951.5410 43531.3017 50248.3669 37762.5265 40599.6425 63174.8674 43255.2059 34820.2455 42475.2326 62008.5246 59563.5220 45790.5472 22616.5727 45784.7408 23440.7617 31055.5633 56562.2069 45632.5956 49128.9755 36307.6742 66808.0618 18960.2633 43130.1648 21626.2706 43982.0559 47964.4809 59926.2406 34106.5463 43196.4615 28187.4004 alpha-ketoglutarate 153.9267 156.6766 96.6939 146.2460 112.1022 116.8511 161.6072 112.6653 158.1215 110.3938 103.2292 159.0731 102.3307 153.9040 139.3547 197.2374 156.2125 94.9236 134.9567 86.2655 123.4684 161.2301 127.9431 116.9437 133.1069 137.2453 117.0516 174.7270 152.4129 123.8813 106.9474 115.9457 118.1336 151.8564 140.2643 169.8278 162.9057 167.5705 261.1210 229.7952 201.8831 168.1091 186.6080 102.8229 160.5035 228.4415 172.5414 155.4054 121.0446 226.2464 85.5676 96.7336 232.3236 211.6561 127.8937 156.7700 149.9609 151.2110 161.9758 93.4119 130.3543 194.2571 130.7196 147.4776 433.4753 148.6572 131.9593 68.2942 250.9055 84.2784 133.4444 137.2634 169.7478 190.3720 225.3598 174.3433 169.1862 92.9266 286.5789 147.6662 138.5313 206.8740 233.4945 141.5443 124.8844 151.9265 249.7050 223.1131 168.1996 218.5792 91.2950 186.5653 147.1974 204.0443 aminomalonate 127.1061 177.8491 296.9273 146.2460 589.6573 222.6322 243.9072 501.8727 162.9718 280.3137 500.7386 129.3277 183.8626 81.7615 241.9471 272.3054 359.9679 170.6491 232.5849 233.1501 176.0081 182.9160 217.4293 166.2218 166.3836 136.0088 301.6000 196.7577 312.3834 171.2794 112.5763 144.1760 121.5089 233.7475 266.2644 308.8896 207.5539 298.0281 191.5700 305.2152 162.3536 274.9370 136.4525 201.6293 189.0990 224.0819 417.0633 104.3436 192.9148 134.6955 324.9530 273.6542 164.3799 148.1593 106.2779 137.0440 144.4068 94.7589 191.4259 206.7758 88.3610 107.7131 125.0770 80.1509 338.5236 171.0044 82.2041 107.6150 90.1692 126.4176 134.5753 104.5817 158.2611 156.9282 102.2251 161.0254 113.7979 155.8456 114.3226 113.6641 65.4478 157.5358 107.6189 87.0235 137.1682 163.8091 440.5907 184.9932 178.8451 194.6721 240.1456 262.3951 161.2833 180.8115 arachidic acid 4725.0826 2113.0172 1713.1082 5121.3944 2217.3806 3409.5931 3930.9453 4875.3346 3494.1940 2593.1726 2319.5752 4553.6295 3114.0162 4817.1945 2198.8969 3413.3851 6423.3894 5166.4017 2490.0944 5030.6022 2764.9031 2921.9417 3916.6848 1866.6860 3671.1356 12893.6352 5621.0379 6612.2756 6337.0997 7535.2166 5073.8116 9468.2269 5653.5370 7969.6778 4402.8712 3578.6895 2382.0436 2703.6209 1796.1217 4967.1122 5791.0807 2900.0883 2350.6713 2838.8760 4717.3270 2023.7122 2679.1552 2438.7545 4089.0372 2819.1358 4091.9631 3572.7779 2850.3481 3010.4973 2605.6088 3660.7354 1867.1055 7683.5359 6921.9167 2250.9544 4532.6567 2481.1361 4214.0610 4452.1129 3264.8260 4616.1466 3822.4929 7292.9875 3591.0846 5761.3662 6779.6533 3472.9826 3697.4384 3412.5462 2659.0132 4466.3369 3591.1790 4356.9022 5814.2296 7236.6156 7962.8208 5117.3183 3947.3065 4983.4063 4933.9594 3228.6513 4198.3741 3379.2099 4916.1112 1498.1785 3447.3788 2646.8201 2664.3441 3432.3880 ascorbic acid 1292.0512 1113.6744 1165.4612 11333.3658 406.9308 479.7047 733.2178 628.1944 705.2413 290.0544 1480.6455 452.6471 227.9563 797.4150 574.5174 525.4758 317.5189 966.3006 3820.7099 997.1053 206.2184 1022.0667 1337.1160 1523.2099 830.7296 471.0851 377.6408 1220.8096 661.2954 203.5963 315.2135 891.2696 648.0472 1622.7167 7161.7979 807.2972 836.2493 7959.0371 1217.7510 2914.2748 3880.9558 1397.0442 899.1115 4120.9490 1794.1339 2083.8743 4852.3300 903.5713 1251.1092 1396.4140 1132.7515 994.0647 1047.6481 1136.7180 1056.4739 1172.1413 1132.1120 790.3296 832.5329 897.8424 784.7506 1043.5092 1152.0252 785.4784 677.7352 507.1834 368.8370 1158.9310 1079.0896 1163.5104 1249.6275 928.1622 880.6463 938.9969 989.7244 986.7348 1013.1032 885.7066 1184.9380 440.0842 707.9275 778.1578 854.2248 601.8252 466.7812 3313.5265 613.7195 1075.2031 1795.9029 884.5628 9092.7842 990.6016 10218.6011 1944.4811 asparagine 1788.8146 1985.9821 2390.8213 1339.8916 2522.2984 999.9997 2446.5533 2255.5820 2081.7713 2797.7258 2509.8559 1898.5311 2724.6602 1828.5716 1607.2808 1778.0807 2074.9093 1204.1428 3188.4235 2310.5176 2349.8393 2772.9688 1482.0688 2475.6757 1471.3065 1774.2967 1206.4000 1983.5307 1148.7646 1746.1881 1534.4143 1327.8304 1206.0879 1294.3571 1441.8690 1673.6649 931.5794 1671.2066 808.9869 1463.6188 999.5332 1305.1225 1061.3794 1364.0100 1148.4302 2089.1058 1399.3849 1604.0055 1795.8098 2287.7197 1705.2393 1402.6367 2060.2285 1970.8922 1641.9028 2339.0916 2290.1432 2351.8354 1386.4222 1529.9597 1426.0240 2280.6529 1698.4142 1626.5280 2937.9993 1641.0590 1268.7561 1517.9927 1854.3483 1222.0370 1843.3419 1797.4973 1965.5005 1656.7507 1593.7816 1409.2752 1729.1235 1159.6465 2445.5761 1833.1982 1328.5912 1605.6538 1524.9210 1636.6710 1192.5441 1186.5548 1251.8546 948.5108 715.3804 786.6576 1299.9615 1286.6988 1146.5906 689.9120 aspartic acid 1236.0779 295.5683 415.8694 426.2025 655.7976 677.7366 948.6941 423.3484 641.2166 600.6723 1806.5107 923.4000 802.8388 442.4739 537.7551 728.6010 1298.9408 712.4600 343.9960 892.9649 425.5718 495.9475 626.4033 461.1553 355.3479 673.8618 365.6793 1074.9506 604.6130 555.8501 395.1426 665.4275 515.2876 388.7842 504.0004 333.5024 224.4479 307.0252 313.5892 366.4939 496.9431 411.5773 202.8348 461.8997 344.0678 231.0572 349.3170 333.0115 361.2424 337.7912 371.8114 707.6824 481.0853 739.5515 203.5491 513.9149 235.1238 684.4819 457.6099 419.9000 386.6887 325.0070 400.6226 439.2267 3686.6043 487.7511 480.2453 395.2783 420.4627 323.0673 485.1495 492.4053 565.4005 353.7317 758.5564 572.6694 279.9629 341.6988 502.8648 394.4242 453.7717 586.8643 368.0181 430.9236 1086.0852 388.7283 575.9863 255.6270 243.7829 260.7013 369.1494 429.7020 342.9912 268.6919 azelaic acid 488.6006 234.5915 210.5018 192.2090 459.6188 204.1820 323.2144 547.3940 100.8873 275.9846 325.8653 360.8244 208.8213 242.3988 200.9101 388.5872 212.2452 123.7206 152.1852 209.0579 152.3652 161.2301 61.3831 163.2799 279.2868 184.2301 277.6771 164.0914 290.9700 212.2141 144.0976 171.3980 110.2580 190.0193 152.1511 300.2752 231.6881 311.5237 174.4874 254.5424 297.8835 168.9372 279.5433 277.1398 302.5583 288.6035 304.8584 182.0463 151.3057 135.7479 237.3481 213.8321 161.0923 185.5104 146.8075 172.3432 130.5215 194.5582 241.2646 134.2229 174.9723 147.5607 156.1112 188.0873 138.9873 265.2511 255.2655 149.0054 119.5721 98.3248 133.4444 141.6210 183.7871 182.6542 173.0856 134.3896 103.7273 101.6385 220.9206 239.9576 178.8908 156.6703 181.6068 77.5872 92.1279 255.4742 236.3874 139.0252 304.4625 154.8270 249.0766 190.1763 219.0354 259.6009 behenic acid 1075.1545 578.4332 346.5578 749.3365 952.8683 861.0084 1110.3013 1776.4700 982.6814 1143.9831 821.9816 1139.3773 706.3317 1176.4035 931.0260 975.8837 1484.0186 1349.1945 538.1039 1656.1430 763.1395 720.3496 1413.2902 562.6536 994.7363 1947.3989 1202.9824 1286.9020 1051.7746 1633.0791 1272.1116 1687.7661 1604.3669 1330.1348 770.2647 803.6053 622.6618 576.9374 436.8285 1177.2586 841.4149 539.9365 472.0520 732.6132 764.6977 602.4925 580.0779 479.5366 748.9633 816.5918 684.5405 1044.9771 738.6138 789.3529 670.9915 763.0858 563.7418 1378.0364 1364.9009 586.7717 927.3530 500.5856 923.5010 982.1152 1609.3631 1214.5197 1190.8785 1281.0327 1013.4229 1263.0057 1290.3394 794.1670 1111.6565 689.4552 620.3202 841.4487 849.9594 856.6671 1184.1655 1441.6885 1496.5740 1234.3193 1207.8297 1347.2916 1313.3340 606.0087 1036.5534 677.1874 830.3523 677.3679 865.3179 912.3646 633.1603 719.2055 benzoic acid 21257.0411 11151.1411 11071.8813 5275.9973 12465.7594 16108.2365 18309.4964 13266.0541 13630.4609 13473.4581 8754.4512 14132.9348 10379.4993 14032.1952 9942.0576 9402.6322 15684.0729 11084.7260 7718.3738 11443.7846 10710.2232 11483.1647 9548.3983 6925.4196 12850.7572 13501.9655 10481.6679 9904.7390 14807.9794 15785.7132 13702.7813 12797.3809 11600.7204 8233.6376 11262.7443 7482.2668 8083.7436 6479.0184 8268.0169 8398.7209 8233.4428 7361.1892 5467.6896 6669.8323 6565.8845 6583.8221 8665.1775 11034.8921 13947.5510 10557.8160 11368.2619 11409.4697 13578.8785 10286.4885 9928.8736 8534.1024 10956.4007 13600.9271 13508.5548 8434.2770 13122.9204 6995.7455 9219.9630 11944.6149 8707.3493 11229.9351 14049.3378 11181.6151 9503.0449 9693.1885 11037.4339 12246.9481 7807.1213 9907.0603 9893.7595 12124.1252 12719.1786 12017.5386 8663.7970 11825.9258 13109.2028 8744.9708 9532.9180 11165.2206 12037.0183 6130.5332 7757.5033 8198.0036 5874.2100 7299.6357 7357.1867 7525.2021 4251.8226 9139.5664 beta-alanine 135.2689 93.1591 102.6838 171.3167 167.0322 121.7712 133.1763 147.9443 124.1690 102.8178 91.6737 115.1017 64.0607 141.3993 70.1048 120.6975 215.6411 99.1898 95.3311 149.9932 105.0795 144.2585 77.6533 108.8532 130.7300 79.1324 109.3620 79.7667 137.2975 91.5645 122.7081 106.8717 142.8854 131.9799 129.5661 109.5266 67.5757 141.7039 120.7989 104.8809 152.4712 114.2810 66.3823 89.1667 107.0023 73.2408 85.7414 136.5347 127.6642 112.5971 107.9781 136.1907 127.1205 169.3249 95.4699 102.7830 74.0548 116.9365 124.5968 77.0875 69.1140 60.3940 99.6854 99.3871 66.7414 99.1048 134.1226 117.9626 86.2488 98.3248 123.2664 108.9392 104.6565 126.0571 97.5785 118.6503 71.5013 76.4708 78.0174 104.9207 139.6221 122.0470 75.9097 77.5872 124.8844 69.5976 116.5290 75.1185 81.9707 76.2750 99.2337 107.1246 69.7251 122.2245 butyrolactam NIST 1351.5229 746.1195 1304.0843 1005.6151 903.5434 1382.5334 887.3432 1035.6103 811.9490 2066.0962 1084.6768 3594.0177 1093.1919 1226.4223 2595.5875 2207.8817 1343.0878 1799.2815 2572.7913 2096.7967 3336.2726 1178.5825 1315.6689 1050.2867 1174.1929 1175.8580 2056.5190 1139.5236 1505.2344 1787.1228 1549.0492 1774.4734 2225.4122 1696.6573 1951.8128 4382.2948 4869.0708 2370.7292 4707.4984 2810.5724 2254.5967 1666.1844 3204.7904 3863.8918 2995.1429 7633.6065 3704.8768 873.6003 1193.4239 1628.9743 1227.4871 1173.5309 3000.4818 2434.0456 2021.0806 1555.2415 1389.4523 1095.7758 1978.8232 921.4221 1171.4394 1444.4757 1140.7400 2374.6027 906.1698 956.0699 1321.7562 889.8935 1066.3483 2898.2411 2213.1412 990.2576 872.9886 1245.1356 1225.5391 1503.7112 1488.4359 2733.5907 1722.5631 1974.0640 1591.4734 1229.9914 919.5648 1992.1043 1055.3760 1679.6795 2651.3127 2653.8121 2965.8479 2275.7286 1477.5898 1848.8021 1350.1315 2986.9250 capric acid 1171.9418 728.3346 618.6699 309.2058 641.2243 891.7587 1111.7976 656.6452 985.5917 897.2204 627.8491 1163.9496 929.2963 1044.6232 652.3166 908.1753 959.3484 637.8010 594.9580 1102.0229 831.4412 696.7780 673.7349 421.4386 1045.8399 914.9684 742.4657 794.6278 809.9295 1254.9717 1003.0544 1154.4159 876.4389 729.0697 1017.5102 616.5486 732.4724 579.1867 882.1984 869.6865 996.7096 570.5770 497.1297 590.4284 510.1059 523.1484 776.9656 658.2528 585.3640 612.4438 706.9511 789.1423 956.6912 749.5117 471.9457 550.2523 479.5045 774.2004 1070.3995 525.1018 888.8591 405.3249 763.6281 673.2672 539.4359 671.3865 1381.2460 643.6206 421.4428 824.0556 791.6192 559.9476 767.0557 737.0482 572.6927 722.7984 769.3945 796.6520 2247.8289 807.3067 659.9324 502.9029 637.0653 660.5399 764.6613 522.8310 590.4137 765.7599 663.2173 925.5464 779.9769 729.4102 469.7641 684.8614 caprylic acid 5438.7427 4907.7894 5089.6940 1107.2909 5352.8778 3849.9374 4682.1195 3137.5578 5717.5957 5845.4612 3563.7180 3684.5471 5634.0149 4391.0729 4170.3807 2487.5467 4856.1707 3300.9936 3528.9737 4809.8868 3219.3717 4504.0708 4219.9025 2972.1347 3206.4499 3474.4069 3118.5269 4265.6166 4461.5399 5016.6553 5574.7760 3992.5651 2684.4456 3866.3750 5085.1736 2567.1067 2707.8550 2258.2657 3140.7726 3517.6346 2950.5994 5443.2554 5267.0675 3528.9141 2700.8865 2566.0427 4260.6083 5189.4297 4940.1320 2818.0835 3396.2173 2754.3610 6192.7401 3376.5380 2895.6212 1947.6856 2409.5565 3335.7151 3323.3356 2419.6399 5232.5458 3014.7205 2338.8462 3015.8096 3950.1298 4808.5265 5607.1882 3431.2637 3424.4677 2664.1344 2987.7972 4257.3450 2338.1799 2922.4670 2550.9799 3917.8819 2585.1252 4966.7330 4512.6517 4764.1781 3548.3639 3728.0599 2710.6503 3242.9362 3721.9660 2993.5471 2667.9597 3552.9914 2879.6191 3880.9199 2972.0494 4554.6009 2019.2108 4474.8319 cerotinic acid 181.9133 177.8491 107.8180 221.4582 186.0896 261.9925 279.8199 118.3555 146.4806 240.2689 105.5403 252.1891 153.0801 248.1702 159.0182 220.7882 336.1964 210.1117 159.6509 149.9932 185.2025 132.9441 127.2035 116.9437 231.7486 260.8896 166.6062 195.9981 240.5856 196.0557 271.3088 390.1825 222.7662 94.6121 218.7171 116.9104 153.2520 186.6893 211.0931 182.6577 107.2945 163.1403 70.8078 151.8244 125.4510 131.6590 149.2536 103.2336 130.5012 30.5170 146.6872 276.1998 120.5453 242.7820 144.1056 138.0822 190.6910 144.1545 222.0088 259.3767 161.8494 110.2035 207.8347 197.7054 193.3438 251.6485 205.5104 183.1525 185.2388 221.2308 240.8784 214.6103 275.6806 200.6623 230.0064 219.1399 196.3769 158.7496 179.9808 146.6947 224.7043 180.0410 189.2939 326.0760 147.4046 131.5565 88.7840 88.5725 149.0376 69.4444 109.1571 149.2522 69.0208 159.5990 cholesterol 243.7172 222.7349 298.6387 240.9576 340.7905 164.8216 300.7689 294.7506 249.3081 203.4710 345.8948 217.2706 331.9510 104.8471 179.5367 67.7084 149.4206 149.3180 399.1272 554.1201 206.2184 231.0022 342.4141 325.8242 385.0592 262.1261 357.1354 246.8968 328.7583 259.6122 246.5420 298.4342 199.1395 403.8903 697.7552 500.8688 398.2140 585.9345 546.6457 806.0509 271.0598 345.3275 764.1341 588.8218 701.9722 663.5265 641.4730 162.0656 152.2514 289.3850 232.2548 208.7409 306.8425 136.9540 196.3438 291.7376 200.8735 236.8973 78.1562 55.3216 48.9922 285.7821 112.8514 208.3922 3147.8564 106.8777 298.5309 305.2542 87.2289 179.0916 217.1298 191.7330 12.7630 225.1020 338.0397 83.5395 281.9770 285.5557 393.9494 350.7072 175.6184 214.6642 276.7342 303.0096 182.2085 518.5873 1769.0215 324.0185 358.7548 104.7359 739.2911 335.8176 535.9677 335.3599 citramalic acid 367.3250 196.4810 281.5248 316.1698 227.5674 220.1721 508.7634 378.9651 308.4824 266.2439 162.5474 506.9647 436.7776 214.5037 344.5394 287.0246 458.4497 264.5061 268.7648 300.7636 403.2424 368.6606 264.0212 236.0939 279.2868 220.0870 281.0946 365.4072 183.9031 499.8342 311.8362 228.8667 391.5285 223.4118 249.6228 367.9602 626.2820 427.3610 153.7441 334.6761 304.9423 206.2027 92.1977 286.7795 248.1347 363.5881 336.6145 265.2992 278.9699 447.2313 1475.0218 413.6633 286.0211 1116.7974 78.3574 248.1327 188.8396 227.8246 2841.9390 362.7646 259.8338 257.7642 308.4606 273.5816 211.9213 177.8057 334.2248 222.4734 303.8309 401.4930 333.6110 239.6663 3364.3243 425.7643 249.7544 260.3043 339.3795 272.9719 903.7663 266.1878 260.7006 228.5135 428.5537 213.8891 154.5701 193.5154 329.6107 233.2036 391.7559 2125.4554 319.5325 1563.5377 325.3838 256.5705 citric acid 163667.2057 208141.9296 225847.8965 72564.4619 108898.2731 60781.0403 145211.5449 215589.0272 181914.4150 58945.9732 323044.1800 79590.8741 117971.5455 228971.6047 135558.7463 103449.5615 70945.9368 166774.3047 304084.9760 163386.1579 52248.1309 220760.7544 412761.3363 318417.0545 209188.1747 175060.6484 154398.6936 300037.3209 60090.9717 35992.3740 106563.5538 99860.5050 250793.1514 341489.2438 306523.7595 158156.4151 14858.2080 117724.4720 29389.5299 439488.6724 122585.4036 204504.2549 11258.4397 563275.0924 236703.9197 236090.7519 194747.3774 133297.8561 277030.3822 144963.9806 183921.3633 154745.7059 186733.4148 200678.6576 234494.8839 141350.4826 150448.7110 193278.9318 146479.3559 140545.8899 310047.3671 310447.7232 142994.0652 172465.4067 302303.6181 139912.6719 224290.7721 184197.6036 263628.1491 173555.0126 241316.0767 143295.3928 79821.0192 107144.6901 202532.2377 183216.6710 227321.8325 175277.9540 361185.1676 141949.9697 218291.4609 221268.6205 243858.5966 276860.5636 224652.7920 203895.6108 324233.6748 128124.0771 90298.6791 164026.6394 333597.9072 167486.3007 295356.2365 106892.9256 citrulline 1482.1273 1554.0627 2786.1539 1339.8916 2180.3869 2110.7005 2332.8298 1243.8704 2423.2362 3954.6964 2311.1012 2377.0438 3119.0079 2189.2841 2350.2207 2778.9871 1640.2311 962.0343 3017.2869 2644.6994 3311.3163 1783.9024 1244.6715 2096.8958 2375.7203 1164.7300 3016.8544 1307.4134 1637.4935 2714.6170 2482.3063 1815.8105 1739.3768 2106.1130 1753.3032 1383.2349 889.3445 1261.8397 1323.9077 3098.1110 1506.3586 1544.4502 1233.9734 3200.3628 2289.4810 2021.9684 2335.1309 1076.7373 1096.9665 1002.8505 1652.2689 1588.4670 1471.7484 1959.6869 1116.8181 1532.4009 1954.1198 2100.8251 2121.5431 2206.5157 1320.1658 1418.3258 1663.6184 1473.7071 5170.7412 1698.3844 2757.0838 1182.7305 858.5672 1270.0289 1224.7480 1147.1301 2224.5893 2314.0485 2438.3000 1417.7502 1178.2612 2056.9689 1360.2841 1864.2859 1643.8316 1537.2729 1601.7916 1369.3096 2137.3666 1947.0363 1929.9425 1141.3522 1790.5801 1462.8871 1953.9116 1881.3005 2555.1785 1578.8177 conduritol-beta-epoxide 170.2522 477.6520 213.9246 305.0273 534.7273 542.4353 194.5272 672.5777 747.9244 140.6980 265.0063 177.1790 443.4332 181.7991 231.6878 304.6877 215.6411 209.0452 2535.4628 573.5493 120.8414 263.0596 229.2621 467.0392 286.4175 712.1916 544.2470 335.0199 289.7104 1347.6134 230.7813 636.1890 207.0151 820.5015 335.2078 290.4301 556.2929 650.0386 1021.3002 555.0439 581.6493 404.1242 392.3932 347.8306 527.6322 941.6670 701.8095 177.6062 662.9082 271.4957 243.4601 190.9215 200.5435 280.1331 126.0924 245.0180 210.1304 270.1637 321.6862 594.9339 215.2159 232.8595 169.2772 180.6066 702.5052 531.4738 186.0410 294.9066 501.8110 225.9130 272.5432 224.4148 176.1293 414.1877 437.9414 228.8256 703.9355 258.4521 1417.4454 266.1878 422.1386 626.6811 420.8667 181.3863 349.0623 590.7312 548.2413 168.1757 271.4613 399.5902 282.8161 305.7264 461.3125 291.9247 creatinine 14878.4128 27656.3881 30671.6528 20102.5524 34055.5129 20902.8230 27390.9229 30989.7846 31631.0896 18305.8936 28928.8236 16996.2508 20759.8306 15317.2934 21455.4888 17486.4231 17726.7209 13152.7798 40570.2765 18351.2453 13263.6539 23954.4530 18026.6601 27973.0760 14531.2317 18556.5474 13935.9705 15085.7730 16070.1089 12364.4340 8771.9415 16986.5496 12886.6891 11360.6071 9564.1204 9037.7907 11818.5080 10786.3678 7197.9090 9614.8679 8652.7385 11492.6971 6923.6749 23496.6393 17410.9400 18392.1525 17746.3598 18403.3273 23316.2124 26853.8729 21908.3519 22120.1667 31521.4964 19326.6958 26678.4438 22363.0857 29381.2233 17861.0455 20548.2721 23841.7966 20432.3871 31669.5081 18684.4375 20847.7721 4332.6889 19304.0623 21247.6089 18731.2231 19026.6720 13778.3507 21542.2212 18685.2564 14451.5342 14990.5065 18625.8705 11820.2351 14118.9932 15739.4424 23926.6326 13934.0552 13938.2088 15542.3829 19392.5362 19824.5836 16996.5687 7717.6988 7707.5623 5827.8477 8127.8712 6913.7067 9520.4814 8415.9010 13185.0872 3379.8617 cystine 200.5711 297.2621 250.7196 165.7454 202.9049 175.8917 257.3744 285.6464 240.5775 141.7803 279.6432 190.1118 194.6780 195.2657 282.1291 214.9005 195.2656 161.0501 449.0899 188.8516 147.1112 173.4873 236.6577 253.7457 198.4719 173.1021 237.5207 270.4469 170.0474 135.7308 138.4688 191.5625 115.8834 209.1007 301.9248 295.3526 185.8332 362.1323 215.9739 179.1224 204.7067 202.0621 192.5087 198.4161 170.6503 253.7270 210.6487 344.1119 347.0575 216.7757 128.3513 156.5556 319.9929 150.6494 162.1188 186.8782 180.5085 209.6793 150.6488 143.2920 191.5946 250.9154 166.4559 195.5681 483.0153 203.0677 162.2450 211.0910 270.5075 147.4872 153.8003 193.9118 151.8796 142.7790 162.6308 222.7720 184.2921 121.9662 247.1839 175.8394 182.1632 190.4279 200.8245 195.0165 165.8302 272.4493 239.7168 191.7203 129.8756 151.4117 215.3371 170.9179 232.4170 155.5585 dehydroabietic acid 1011.0184 795.2397 601.5560 750.7293 810.4986 772.4475 941.2123 905.8745 737.2536 997.8736 745.7153 1012.6362 801.1749 825.3101 785.6867 1045.0640 1040.8506 764.7213 563.9467 767.8410 782.8419 795.7789 573.8949 436.8839 905.6022 856.8555 707.4357 735.3726 797.3334 1193.5697 1049.2107 799.5212 950.6943 805.3954 920.0384 1012.8134 878.4842 826.6062 656.4630 1035.8462 1176.0044 708.0455 570.8879 724.5801 949.1845 719.3290 992.9070 643.8223 790.5724 867.1026 1015.6055 973.6997 746.2849 739.5515 791.6800 782.8118 722.9595 1002.0250 880.1062 709.2048 826.7440 595.8462 849.2071 835.7063 781.6317 810.3276 1194.1234 796.7651 608.6418 783.0870 897.9224 904.1956 744.0823 942.8558 910.7323 1001.2634 902.3265 994.1210 580.8823 733.4736 739.5606 730.5509 823.4765 698.2850 669.4625 923.4418 1090.9336 907.0275 957.0342 1072.4044 1113.4021 1095.3189 767.6804 1078.8082 deoxypentitol 1379.5096 1980.9007 2500.3507 2094.7993 2117.6097 1452.6441 2017.0972 2152.0210 2030.3576 1579.0646 2358.0936 1700.6597 1659.7548 1449.5831 2477.6062 1760.4177 1264.9815 1373.7253 2153.5641 2048.6123 1385.7353 2922.8845 1229.8804 2620.5682 2095.2451 1655.5981 2301.7292 2060.2587 1551.8400 1840.9843 1752.8122 2403.6048 1423.2287 1737.2053 2478.3981 2772.6229 2325.3283 3456.0013 2319.5838 2340.3760 1904.4778 2372.5736 3905.4926 2661.3458 2449.0620 3771.0278 3257.1160 1084.5076 1284.2073 2472.9261 1428.1634 1647.0163 1467.3649 1396.9305 1283.4402 1566.6619 1662.5292 1857.8794 1133.8306 2147.5664 992.0928 1902.7232 1469.8901 1543.1712 3500.1411 1713.9302 1514.2869 1419.6905 1058.5075 709.3433 1249.6275 1490.2886 2139.0772 1391.7735 1353.3204 1778.5440 1685.8199 1542.9687 2206.1166 2083.8422 1382.0403 1468.0264 1567.1998 1656.5920 1332.7832 2183.8380 1830.0605 1389.1311 1275.3359 1534.6084 2333.9767 2660.0603 2652.3711 1499.0182 dodecanol 553.9028 159.2173 226.7601 618.4115 263.4401 275.5227 360.6235 241.2631 308.4824 358.2388 302.7543 416.4353 291.1851 340.5126 322.3111 674.1399 332.8005 344.4979 191.8108 103.3632 640.9847 279.0883 255.8861 238.3003 375.5516 463.6664 315.2703 404.1510 636.1032 503.0659 478.4491 377.0756 504.0367 434.8976 650.2080 488.5625 634.7289 547.6969 652.8024 828.4413 453.1782 471.2022 385.7550 408.0784 530.3995 517.9169 568.4340 210.9073 110.6423 302.0127 199.6576 232.9242 319.9929 333.6697 230.5689 358.1831 283.2594 313.5108 316.0227 358.2300 311.4506 179.3142 284.0095 379.3807 310.3133 316.7467 305.0207 315.6018 218.5622 285.6102 347.1816 373.6616 439.0469 437.3410 430.9716 462.4941 313.1959 354.2827 366.1412 402.1961 414.5030 399.8987 282.4995 358.5788 345.9913 460.0234 599.2921 612.1595 602.5377 527.0947 486.2451 545.2522 352.8513 639.4060 epsilon-caprolactam 199.4050 177.0022 158.3042 406.7031 216.3572 260.7625 300.7689 767.0344 715.9120 468.6326 870.5148 602.6672 627.2958 738.7391 402.6751 650.5891 404.1149 260.2399 250.9620 227.7099 429.5123 420.5182 241.8346 358.1860 423.0898 320.2389 350.3003 357.0507 404.3349 368.4123 326.4711 374.0509 383.6530 3370.2578 4732.1356 3213.1906 2512.3681 2732.8614 3120.0294 4778.5623 4365.1929 3786.1804 2814.6099 4517.7812 2852.1656 2293.1336 4758.1203 227.5579 250.6001 198.8864 202.7136 278.7454 293.6922 265.1927 740.3424 911.5501 371.1995 457.6653 630.9127 257.5629 376.1904 324.3844 464.5718 597.3910 330.9550 372.1288 467.2657 323.8798 225.4229 383.9350 331.3492 294.1359 372.6793 565.9707 320.6150 489.1299 318.2312 350.4107 217.8308 383.7378 406.8674 356.6196 382.4313 308.2519 355.2041 4065.5204 4827.6308 3296.2432 3813.2331 4043.7158 3480.1259 3399.0996 3381.3153 6021.3257 erythritol 29111.9662 45973.1557 47858.3547 51322.5837 46036.9910 46751.5241 35948.6223 54639.2545 54681.9053 39440.8996 54330.9069 36263.4966 43967.2795 42357.2604 49533.3164 38980.8875 29283.0487 34651.3675 55356.9349 46453.6054 40869.3396 52754.2943 35719.0413 66490.2064 41338.0087 40963.3806 46549.7810 49035.2194 47843.7802 52445.9692 49395.0818 48787.9353 42946.6297 46936.3455 64285.0108 56918.1452 58322.6596 85790.4803 59957.7646 70686.1899 40873.5660 45613.8671 70264.9372 70702.7933 57818.1572 78133.0796 60209.5404 26319.0114 46688.2188 45154.5784 35697.9721 35216.1098 37960.8064 32089.5611 37741.2481 38688.9689 39595.2252 43291.7146 29285.9034 50426.0936 29760.1589 50234.1345 36971.0736 39313.4607 63452.5289 33490.6242 43809.4026 32629.0828 29516.6771 26669.4369 30831.3074 46868.9242 49480.8381 39363.2641 39854.9951 43905.4600 38866.5066 34645.1650 47003.5704 39683.3500 35179.3060 32243.7796 42223.1110 46251.4203 33169.1048 54273.4248 45521.7842 31779.5966 39252.2417 36764.5719 58247.2064 48860.8534 65626.8155 43344.2520 erythronic acid 215.7306 75.3742 267.8336 143.4603 115.4652 142.6814 124.1981 118.3555 104.7676 127.7105 592.4123 113.8084 71.5483 1345.6979 64.1202 197.2374 188.4738 132.2531 92.4597 98.7002 166.8136 103.7153 122.0266 81.6399 106.9609 89.0239 336.6300 32.6663 61.7209 118.4952 156.4810 101.8306 5321.6378 127.2095 1237.4160 3269.7998 760.2267 177.6922 181.8085 104.8809 132.7064 107.6560 108.4244 58.6412 77.4844 115.0926 102.6780 594.9806 96.4574 1268.0323 88.6235 143.8275 99.7238 112.0533 150.4102 296.9286 103.6767 118.9527 92.8812 66.2045 72.6135 52.9226 72.4130 85.4942 114.9054 122.4236 475.9187 458.3986 523.3731 5483.9498 170.7636 72.9893 4710.8198 90.0408 145.2061 404.3797 89.6284 110.3503 1560.3486 127.2650 100.3534 109.0633 297.8737 850.3140 132.0499 94.2114 301.8657 80.7243 349.1738 1541.4390 123.0498 178.1398 6710.5129 90.9108 erythronic acid lactone 194.7406 106.7095 135.2003 816.1918 200.6629 226.3222 161.6072 208.2601 136.7799 173.1668 150.2216 183.6454 128.1214 126.9708 122.2559 279.6650 222.4330 255.9737 185.4937 190.4059 221.9803 148.0300 157.5253 120.6212 188.9642 164.4470 190.5292 119.2701 173.8262 229.4498 169.9901 195.5954 164.2620 235.3377 376.8116 489.7931 471.8232 1026.7911 428.2872 192.0852 313.4129 329.5931 677.0996 407.2751 189.0990 422.0063 755.7949 124.3243 92.6748 97.8647 156.8739 171.8294 166.5717 125.7486 115.2845 140.1586 165.6975 102.8235 147.2507 139.6644 105.8582 118.2976 109.0897 156.0270 110.7770 152.5437 136.2858 193.5001 146.0348 181.4327 170.7636 159.0513 179.9582 142.7790 144.0444 147.7075 148.0379 138.4219 153.7175 170.0104 174.5276 184.3689 129.7192 138.3988 124.8844 250.3817 302.9755 312.8068 665.3464 228.8251 691.6589 424.8875 356.3727 298.9955 ethanolamine 3843.5025 28772.6032 24961.5775 111977.0528 30472.7281 6569.4938 2841.5931 4667.0745 19628.4070 27711.0146 10711.9539 4204.4446 23673.3450 28072.0855 24006.6195 4128.7388 3336.4949 11234.0439 28605.0743 19492.1265 11100.3307 22321.4092 24408.2827 34482.2055 4618.3337 5719.7887 21147.0299 23935.3132 19443.3455 13060.3239 24116.0846 4804.1850 4273.0614 76089.5922 116252.9179 89013.1319 111456.4706 84036.0507 65135.0367 71823.3817 76451.5825 237675.5673 290210.1816 96074.3439 88319.3568 159819.2085 167572.6354 30503.8563 25973.5192 6553.7803 8747.2459 4658.4850 17796.8677 5733.3914 24641.1514 6875.0396 5426.3620 20787.4827 5387.1111 24901.0692 18498.9435 29326.5933 8217.4660 6059.4047 19915.7824 28733.5934 26945.6543 11418.5751 16546.0401 2259.1298 2510.5639 19107.9407 5472.7703 4309.0953 4330.6253 15604.9381 8682.8787 20633.5765 13220.4783 20284.6736 3481.8252 26289.4439 7832.1555 21765.3126 22456.6806 123316.8259 87782.9755 66739.9559 81385.1669 51074.6812 62572.8035 80035.3152 110657.9627 75347.8860 fructose 507870.5819 668715.3059 667378.8484 209638.7150 617794.9630 673538.5517 490569.1096 624155.4981 761929.2816 633036.0708 710988.7030 656391.2746 702347.5061 631944.1609 749021.9189 611846.7072 556264.1625 577544.8341 380593.9305 730760.0628 802761.0464 728855.2013 672980.5199 812698.2850 660169.7701 473748.3591 638422.2620 737071.2065 715893.2484 780535.3288 643885.4984 739829.3644 575247.6709 231824.2833 286095.1026 199107.0583 175606.3280 306312.1529 299821.7682 407245.4561 164114.0309 158216.2953 223605.8599 368885.9900 256040.9017 247265.2009 171246.8147 330408.4920 563312.1639 494864.0830 447476.5859 331321.3779 455619.5379 382658.1177 486117.6150 478065.4635 537220.0247 451933.4434 418147.8786 486691.3390 445333.3034 520790.7869 534177.6098 411607.7764 477727.6363 335717.5414 495109.0919 440163.0471 425785.6147 446824.2684 424328.2659 450646.7270 481195.3750 441039.1207 510588.6165 509910.6321 480998.4477 502576.0770 540945.0505 465479.8271 381066.7896 475026.8458 593880.3270 470130.3323 436674.8527 252338.9604 212809.7356 132593.0654 245205.1512 128820.5829 204231.8909 129328.2779 248851.0021 195800.6634 fucose 1 3181.1514 3309.6878 4016.6482 2387.2913 3485.2559 2640.8356 3360.8311 3540.4216 3584.4106 2763.0925 4794.7645 3230.6068 3422.6723 3109.8222 4518.3399 3304.4630 2541.8488 2633.3290 5355.7704 4925.6847 3608.1657 4865.1884 2422.7831 5146.2575 4526.8227 3296.3590 4738.4521 3293.9829 3252.3139 3784.3053 4038.1101 4116.5766 3207.6088 2936.9503 3411.5120 3477.7773 3704.5966 4156.6485 4046.1547 3455.1774 2517.1860 3076.4786 5010.3892 3302.3824 3672.2094 5352.6796 4247.9059 2454.2950 2760.3838 4056.6511 2825.7669 2537.9833 3011.4404 3265.7298 2680.3636 3752.0980 4009.1392 3709.7103 2836.2755 3822.6320 2160.0327 4082.5118 2849.4990 3417.6325 5389.5430 3709.6290 3257.8802 2717.2794 2195.4229 1683.2273 3350.8111 3283.4283 3291.5753 3129.5609 2981.9515 3386.3769 4781.5249 3312.4460 4315.6770 5313.0690 3105.5001 2767.2643 3203.5832 3266.0026 2591.8641 3001.1859 2494.8308 1847.6901 1884.2609 2744.7632 2767.6280 3134.2972 4689.8935 3233.3943 fumaric acid 360.3284 153.2890 193.3878 199.1731 293.7076 232.4723 299.2726 312.9592 322.0634 252.1741 340.5022 372.4639 183.8626 175.0658 216.2990 236.9793 407.5108 346.6310 167.1166 249.4706 292.9090 254.5738 193.0239 286.1075 246.0101 255.9439 198.2187 239.3000 162.4897 430.8916 242.0389 296.4177 220.5161 155.0366 185.4341 287.9688 371.6664 322.7701 143.9826 166.1596 214.5890 262.5151 164.4806 231.3515 145.7446 231.9291 255.1072 154.2953 205.2084 345.1573 238.3668 159.1013 327.6640 559.0212 204.4498 196.2221 348.9830 212.7035 178.9663 225.8210 268.5824 257.7642 260.4988 229.7658 269.7180 206.9542 191.4491 159.3530 307.7512 153.3399 255.5799 217.8785 247.6020 218.6705 317.1300 323.2616 257.8076 140.3579 256.4533 199.1551 214.8871 148.8800 235.4163 273.6522 270.2418 163.8091 311.8539 134.5405 229.9437 216.3024 235.1839 281.6534 192.2723 177.7811 galactonic acid 917.7295 869.7670 1250.1753 1143.5042 1594.0926 868.3884 1159.6812 1136.8953 1111.7008 734.8765 1371.2534 569.0420 891.0263 754.1295 1023.3591 254.6424 665.6010 534.3450 1528.1691 882.8618 792.0364 818.4077 536.9171 266.9846 786.7568 636.7685 874.0419 520.3824 660.0358 743.2880 618.0436 918.4916 402.7794 912.7285 1389.5671 1186.3331 1234.4633 2106.4401 1216.5308 1355.2026 782.1206 1312.5756 1782.7338 1509.4080 1114.3002 2023.7122 1722.2384 442.9053 889.8668 826.0626 720.1936 776.4142 820.8038 664.8493 601.6407 643.6914 854.4067 663.3123 616.1876 891.4940 741.8824 884.1188 928.2031 562.1247 1413.2671 836.5612 954.0008 501.8585 390.0796 290.2923 435.3906 668.8869 644.5310 441.1999 387.9906 613.8338 561.9400 567.2394 719.1508 502.2594 406.8674 535.7950 560.1947 442.4569 572.2164 1380.0702 948.8792 486.5883 602.5377 724.0437 1395.2259 1576.7778 894.4533 1139.4154 galactose 1146690.7870 819913.3286 817748.1579 1343926.5930 1085305.7800 1181773.3380 1442291.8270 1100147.0270 930397.5491 1054560.8200 725541.7070 1265605.0850 791309.5324 923235.3338 812291.5015 1402319.8760 1642024.1200 1052379.1710 542221.5016 755072.1792 1293447.9400 899855.2608 707889.0086 702236.5184 1151973.5850 1190901.7940 817936.6314 735762.2738 1201319.3690 1024405.9620 1068035.6630 947507.2742 1061020.9460 574904.4415 1064958.7470 824455.9681 1548026.6470 599581.9215 1163179.1690 548628.4419 1923268.4320 1112931.6510 331429.1704 578792.5139 1223739.5620 906046.7497 1411742.2400 1089578.2120 916907.0262 1025465.6310 993790.8369 1240608.0010 1048849.1910 1206564.5080 860806.5008 998042.5058 891060.1154 974198.1556 1093293.5770 874554.7174 843931.5130 591908.8031 899139.1809 1037610.5440 656559.5962 951970.6779 1037370.9160 1022517.6210 964942.2812 1147202.4960 1112601.6100 1072606.9270 1235280.0800 1246815.5040 1123610.2280 1176816.2150 970161.1377 922373.9156 733701.4013 927060.1007 1047242.9240 827895.0281 904833.5244 1002909.2010 974191.8504 1110053.4360 934400.7099 1498635.8600 1419047.5260 1535681.9220 1325880.3540 1025748.1220 401484.1805 744844.3541 glucoheptulose 152.7606 182.9305 327.7325 144.8531 319.4911 209.1020 187.0454 860.3532 223.1162 252.1741 919.0479 192.6983 173.0471 206.8085 121.4010 409.1941 168.0982 146.1183 687.4177 358.2740 158.9327 275.3169 136.8177 251.5392 104.5840 101.3884 263.1524 132.1847 216.6530 269.3072 146.3491 52.4276 187.8887 204.3303 191.3775 263.3561 206.3472 308.1498 218.4143 717.6682 280.9422 188.8121 196.1966 239.3846 167.8830 228.4415 322.8535 158.7355 174.9472 163.1079 131.4073 145.1004 166.5717 169.3249 90.0660 262.6676 224.9413 102.8235 202.7529 128.7814 178.4717 128.2595 147.6473 119.6919 105.9606 196.2664 173.0614 140.7273 140.1542 128.7587 177.5489 250.5602 191.4449 217.3842 159.1458 225.1935 92.6496 108.4144 59.4786 133.0939 101.4442 251.8842 223.8857 250.5858 177.0902 596.6724 227.5090 167.0545 176.7160 173.0419 283.8084 214.2492 247.9115 172.7305 gluconic acid 1014.5167 639.4100 1406.7681 1149.0754 1544.7677 1039.3601 983.1104 1101.6162 1122.3716 778.1682 1378.9570 1216.9740 899.3458 759.9009 1027.6338 983.2433 675.7888 552.4765 1556.3090 887.5248 676.4490 908.9228 496.2416 744.3208 728.5225 613.2761 855.2453 1011.1373 715.4587 832.6980 612.4148 917.4834 372.4021 879.3360 1444.2464 1134.6464 1130.6863 1986.1042 1151.8607 1414.1245 1256.4753 1360.6068 1903.6971 1649.1829 1129.0591 2076.8990 1724.3555 439.5752 888.9211 819.7487 743.6229 824.7809 825.1873 653.6440 580.0249 593.8572 832.1903 720.7725 568.6143 933.2119 663.1449 853.6105 814.4113 556.7813 1497.2100 730.6551 809.0619 559.8051 385.1791 269.2227 453.4847 596.9870 588.3739 437.3410 472.7909 662.2625 566.9753 519.8082 622.5945 496.4305 373.0527 493.3815 490.0502 433.0206 580.4056 1359.7002 1035.4436 1197.4108 597.2149 660.2914 1418.0496 1694.7352 1009.9575 1079.8184 glucose 781568.5424 626785.2540 656968.4219 1091986.5810 700731.4986 772661.5244 591144.1492 669671.1396 713251.1427 670054.8000 601492.5817 732547.2041 617724.1371 648099.2691 620135.0978 831295.4299 628203.4069 700269.2718 200466.3821 624932.4500 938710.2154 721194.4152 579085.1016 394786.4278 774130.6607 646480.7840 637715.6807 628969.1617 830349.0031 773791.8755 693237.8013 743034.5069 742551.8631 784817.6763 1216667.6160 1164556.9920 1223724.8090 1084324.0580 857550.5100 1158608.6740 1318444.9740 781553.9165 609456.7230 541163.3491 948060.0422 726238.9142 785174.5366 654856.0775 719004.8104 784544.7517 693144.1133 592932.2195 779415.1345 692139.2372 690436.7931 783126.3998 668091.4360 669964.6108 729892.3846 644990.9286 635697.8865 483822.7924 723186.8514 692368.7455 529468.7632 579655.2849 729628.8722 675004.9027 666089.3554 747962.7581 692419.1669 663256.8826 712342.0680 710989.1494 662525.2579 776427.0897 715739.2975 731447.5099 615564.4737 688214.8695 600313.7890 645902.1720 701761.5191 641746.9754 552448.8784 815725.8820 1112088.5990 1110265.5320 1059961.6920 1267111.7940 862546.2889 1180473.3550 715609.8511 981730.6410 glucose-1-phosphate 4343.7642 1126.3779 5040.0635 3161.6985 4271.0920 3194.3410 4493.5778 4622.6912 2779.2520 2937.3416 5569.7538 2518.0110 3540.8103 2918.4042 3635.1904 3119.0009 2742.2083 2652.5270 5341.4133 3287.4166 3089.3359 4938.7320 2535.1955 4904.2797 3754.3274 3579.5046 3789.2238 3744.4745 3106.1991 2886.9736 3389.6709 5420.2095 2573.0625 3216.0162 4746.3998 4374.9110 4189.6937 6093.2688 4021.7508 4918.7963 3772.2495 5197.3027 5951.5429 4847.1358 3808.7296 8060.8443 6451.7783 2154.5846 3656.8703 1310.1247 3221.0075 3026.7424 3041.0288 2595.9003 3001.8991 79.9423 3917.4964 2346.7950 2375.2674 4418.4729 2073.4214 3153.5645 2866.4267 2866.1946 7128.2607 2996.4631 2618.6348 1063.7331 2193.4627 1541.5927 2577.2861 2950.0743 2995.4739 2633.0502 2828.6139 3656.3669 482.3821 2567.0972 4836.3082 2739.5967 2659.3640 2556.9280 3632.1369 3860.4885 3059.6690 4523.8463 3392.6592 2343.2477 1976.8771 2687.8415 4024.9190 4093.6040 4457.4765 3187.9389 glutamic acid 1006.3540 797.7804 1015.7140 128.1393 987.6200 605.1659 1161.1776 804.5895 637.3363 849.5995 1524.5564 1576.5051 881.0428 557.9019 777.1374 554.9143 799.7400 949.2357 1397.2324 1286.9886 404.5559 1065.4386 1553.8057 1054.6996 741.5955 436.4646 929.5773 704.2256 564.3054 475.0580 577.5162 692.6495 469.1592 212.2809 212.7737 118.1411 100.1568 120.3359 65.8903 268.6836 183.5301 108.4842 67.8575 222.5152 98.7004 129.0433 147.1365 537.2586 531.4614 644.0131 1329.3532 785.3238 469.0307 623.7631 476.4490 575.1694 656.3103 629.0378 595.7991 521.4741 453.1782 514.9058 483.3804 439.2267 861.4462 405.1638 340.7146 552.5618 545.9154 509.1821 647.9969 376.9297 861.5019 644.4349 563.3995 634.4160 379.6619 443.3373 977.9214 589.6933 568.3054 370.4689 385.3140 403.6632 493.3959 161.2628 1245.1958 102.0266 118.1655 216.3024 250.0689 261.1914 163.3962 108.0828 glutamine 411875.1415 408094.3297 476987.6701 275729.3555 418738.5337 291324.6395 400645.1811 454005.8642 374115.4579 410716.9777 601610.4478 304890.1330 458295.3273 396095.9341 468521.4972 321201.1591 269818.0114 333593.4047 593572.2330 460011.3872 135209.6723 393736.1181 541560.0664 466977.4548 293707.4849 162777.8164 379113.7607 322786.7699 202666.2680 178621.7974 204375.4298 212016.2955 269580.8956 441510.9261 254698.4940 109516.7582 61197.0405 58049.1254 49950.9750 425960.2150 233145.3502 199438.6238 66697.9945 526579.3666 343747.7623 123087.2183 245804.8136 437235.2613 369561.3990 378067.2569 459275.7415 326059.5809 407929.6310 401794.3229 419584.0746 438037.2012 552894.6389 417659.9539 311802.2736 370561.3207 438017.7127 460614.0519 367253.3959 360243.9016 317162.1885 279840.8897 315060.3757 318630.5009 345254.7575 263619.3771 317234.6231 246207.0136 187767.8407 292365.0421 335869.7265 356621.6873 306070.9702 235760.5849 303368.8449 288095.7969 245781.7363 239535.8543 250499.2575 242013.4164 253490.8632 351820.2934 183670.8218 114828.1083 238648.5621 116079.2350 312221.9753 169976.6467 440175.9778 242750.0339 glutaric acid 374.3217 131.2696 97.5496 144.8531 181.6055 164.8216 194.5272 208.2601 194.0141 120.1345 125.5698 98.2891 116.4740 100.9995 141.9195 257.5862 207.1513 188.7806 55.7055 58.2875 103.7660 111.2582 75.4346 101.4983 146.1799 140.9546 30.7581 98.7587 123.4418 63.5565 145.2234 114.9375 148.5108 125.6194 137.8869 135.3700 158.0789 177.6922 104.9365 186.1931 72.0003 115.9373 81.8715 108.4460 142.0548 80.2161 186.3024 157.6255 86.0551 54.7201 128.3513 176.9206 32.8760 67.2320 85.5627 145.3497 133.2986 110.8881 137.0564 97.0395 151.3510 84.6762 117.5536 98.3184 70.1817 88.4170 114.6532 120.0321 57.8259 76.0847 148.1459 84.9726 59.9861 189.0857 101.0634 82.3288 71.5013 34.8475 108.1430 114.6356 103.6258 98.6763 146.0542 42.9875 35.8275 106.0940 123.1878 149.1158 122.4237 178.7341 116.1034 134.8085 96.4883 117.1739 glyceric acid 42713.4873 32291.4755 38828.1697 12990.8201 40500.2657 49221.3881 33707.0707 33119.0449 37005.2803 33488.2914 65763.1540 37855.5210 35767.5083 30835.6238 43113.5975 36667.0275 37097.0688 34955.3362 67406.5568 48920.3336 39478.3504 48216.2804 30874.9541 44431.2445 39251.0828 32192.0488 40434.0507 38453.6034 46776.8902 32498.9205 32280.1143 39800.6309 31750.9388 39577.2735 19754.6753 24681.6355 30429.5810 36237.9673 34384.9934 32040.5251 20179.8408 36063.1195 27430.6455 30303.8366 30046.4396 49412.2346 30742.0090 19980.6919 28401.9761 25532.1728 24302.2064 24793.0679 27079.9506 39194.9822 20004.5547 29493.5255 32489.6716 27595.0028 27353.5209 27425.0039 29398.8412 36204.0412 27772.7405 30177.3318 35083.2899 34989.8274 40692.1347 27415.9626 29824.4284 24602.2746 31315.3260 28655.3746 26268.7872 29930.8474 21974.9029 37590.3575 32667.0400 29491.6108 35919.6882 33396.8498 33647.8265 28888.7854 33245.5832 29790.3476 23225.4365 28426.3905 28025.7842 20295.4404 17366.0723 14466.0747 23846.8511 30309.0395 23612.1593 25617.6550 glycerol 51673.8858 70097.9681 48180.0973 61189.3115 84509.3288 60033.1931 46152.3209 49539.7273 80174.3886 65589.0839 78549.7064 39658.3496 76953.5546 43909.7667 59252.2356 41680.3909 57402.9937 62695.4150 108970.9185 78741.7871 55512.1614 57017.9343 57780.7150 99199.1338 42103.3734 56639.0142 69513.2460 79836.5421 68428.3326 68425.5836 65925.7786 68889.8954 55999.8310 73841.9586 76032.7366 50895.4127 40301.6674 61677.1957 75973.9968 62420.6324 44213.8139 157244.9065 197403.2871 74116.0316 64403.4129 171447.9247 56103.4784 45862.3482 68677.6691 46836.1681 45112.4413 52217.0342 49852.0509 53471.8115 56564.1372 36048.7959 79646.8128 48065.9505 46654.6926 48903.3891 73110.4143 87573.8325 52626.3902 70299.7818 73776.1219 72603.0173 68809.1982 45921.6081 62751.8519 50538.9575 51016.4670 63113.9419 82877.7555 44619.0741 56450.3042 62779.3354 46881.7040 48496.0679 97708.7202 58919.7878 59957.8591 68387.8699 47730.8911 59216.8741 44631.8594 49682.5270 39518.8750 40345.3443 45380.8801 58250.2277 43980.3770 65088.4246 62217.3284 73781.1898 glycerol-3-galactoside 1278.0579 984.9455 1476.9354 1305.0711 1446.1178 1030.7500 1224.0249 1267.7691 1245.5706 926.4423 1746.4221 968.6647 1374.3935 893.6050 1625.2345 1099.5251 650.3194 767.9210 1540.2291 1378.6943 1002.1953 1688.6730 782.4495 1427.5955 1070.7974 948.3523 1153.4278 1248.1582 1087.0437 1218.3460 1045.8334 1303.6330 1164.4599 1295.1521 1487.0389 1544.4482 1410.6428 2323.4945 1469.1104 1067.6640 1324.2403 1474.0597 1916.9736 1382.4860 1215.7679 1930.4175 1749.7604 839.1891 1213.2828 876.5734 904.5714 1034.7946 856.9674 1010.9693 642.1704 784.8882 1035.8409 716.7402 543.6950 1217.9822 703.3885 1145.6187 702.5002 947.9175 1638.9495 970.6442 1142.2050 1037.8641 748.7960 552.4918 766.7398 1114.4483 1162.7084 740.9071 922.3488 1255.5141 1120.8587 663.0700 1228.9676 1064.7511 881.3643 846.5388 930.1345 885.9622 1446.4076 1940.2463 1156.4118 827.4243 734.5424 1075.8197 1109.4328 1492.5225 1938.9213 988.9075 glycerol-alpha-phosphate 471.1089 331.9851 731.6221 327.3124 161.4271 129.1513 441.4271 591.7773 582.0423 89.8303 965.2699 90.5294 215.4769 687.7584 149.6139 341.4857 154.5145 369.0287 714.9833 482.6207 250.8772 314.9172 740.2948 453.0648 521.7315 116.2257 236.6663 664.7221 132.2591 109.8774 120.4566 311.5411 488.2856 1519.3590 426.7362 945.1284 260.6491 791.7426 320.9103 650.4973 251.2951 515.0928 86.2970 627.3804 484.2778 480.4246 620.3022 230.8880 725.3218 713.4655 498.1255 378.0246 637.7941 698.4653 1079.8911 685.2199 789.6088 464.7219 872.1774 386.3443 794.3741 584.0165 377.1119 899.8269 791.2645 589.7708 355.8574 414.9387 686.0697 647.3051 377.7155 687.4065 354.8111 496.5107 723.7070 279.6757 591.1447 516.9042 1120.0522 232.1857 451.5901 723.6262 782.1586 564.0801 460.6394 589.8824 1052.0906 428.2874 482.2430 315.3461 422.7356 590.9908 367.6414 792.9443 glycine 4156.0203 2706.6945 5220.6158 3593.4723 5348.3937 4065.1895 4345.4379 3253.6372 4341.0656 4217.6935 5272.3921 5558.5060 4283.7481 4177.5311 3552.2615 4303.8974 9658.0066 4190.5021 3816.1156 5810.1008 4053.4399 4180.6677 3355.3623 3673.7968 3808.9963 3542.4113 3356.9020 5021.5006 4097.5125 3751.9885 4007.7145 4049.0256 4120.0502 3554.7116 5174.3247 9470.9746 22437.5472 4199.3846 3248.1495 4681.9304 3279.5418 3536.9152 2041.6248 2767.3820 3428.6868 3349.8933 2692.9162 3471.0902 4382.1921 4342.8792 3300.4631 3889.7077 4109.4984 3616.8299 2974.8793 3506.0418 3539.8172 3842.7760 3362.9800 3403.6389 4012.9891 2639.9039 3628.1739 1441.6467 7128.9487 3742.6640 3606.1662 4016.9378 3488.1742 3792.5288 3491.0408 2796.4700 2750.4245 3480.7200 3618.5348 4134.6003 4454.2302 3042.3781 2328.1637 2463.6941 3384.7442 3412.1226 2819.2301 3227.2090 5201.1302 3434.8980 5564.5382 5370.4099 2681.6120 3343.5792 4409.9457 3075.3185 2921.4113 2849.5487 glycolic acid 4932.6504 3927.9253 3798.4451 2369.1846 5081.5906 4874.5373 4379.8542 5300.9591 4959.0005 5239.3775 5016.6303 5126.5514 4996.7356 5356.8203 3845.5048 3934.4452 4757.6889 3824.6731 5756.0462 5044.5912 3331.0187 3821.4358 2994.4594 4491.6671 3162.4771 2552.0198 3862.7014 4002.0068 4928.8553 6779.0019 4810.3832 4135.7328 3025.3455 1507.4331 2084.9450 1363.5447 1985.0363 1293.3295 1739.9929 1416.4813 1540.2411 1477.3722 1321.7455 1823.4999 1292.3299 1971.3974 2040.8578 2195.6560 2652.5785 3309.5117 2730.0127 2501.0718 2605.9699 2544.8538 2428.1788 2577.8803 3025.1367 3287.3275 2578.0204 3041.7812 2701.5719 3347.1990 3186.1724 2888.6369 3870.3153 577.1398 3693.7785 2601.3863 2199.3433 2318.8270 3154.0372 2828.0624 2677.6754 2401.5167 2430.1685 2458.9673 3735.1887 2662.9278 2852.6571 2489.9243 2734.6290 2212.4265 2705.8459 2376.8950 2839.5857 1490.4079 1601.4417 1355.4959 1040.0694 721.7668 1544.0764 1789.8233 1792.4281 2224.2844 heptadecanoic acid 4382.2459 2540.7020 2190.5879 5969.6210 2959.4968 3432.9633 4328.9779 6238.6985 4429.3420 3075.8750 2824.1656 4668.7312 3083.2338 4534.3959 2547.7110 3685.6905 5995.5030 4346.2194 2609.5454 5882.3773 3681.7213 2983.2280 5131.0346 2287.3890 3431.0678 9668.9899 4671.8096 5722.6875 5690.9196 7502.8997 5282.0777 7931.6943 5069.6194 6907.4781 5208.7964 4259.2312 3126.5830 3553.8445 2949.2026 5777.8769 5905.4340 3306.6969 3234.2936 3223.6586 5083.5333 2786.6369 3904.9401 2698.5034 3930.1662 3122.2007 3927.9586 3963.5306 2986.2355 2919.6097 2637.1319 3629.5890 2316.0624 5304.4825 5598.9256 2758.8248 4335.8129 2292.4826 4160.4566 4160.3638 2653.8322 4258.5920 3795.4520 5625.9894 3102.0150 5026.2712 5475.7433 3152.7013 3617.0315 3327.6506 2559.1114 4078.9073 3297.1172 3974.5480 4243.8392 5966.8805 6256.8137 4310.5963 3941.5412 3678.0537 4437.4925 3639.4471 5077.3359 4268.2986 5251.4458 3809.1985 3990.1872 3596.4978 2554.4742 4222.3019 hexitol 16262.5868 4020.2375 12594.1688 7134.0174 1739.8254 12873.3050 10784.2874 15396.4524 10041.2000 2044.4503 10151.8970 8302.8405 12861.2279 21095.4258 5861.4453 4667.4619 4367.1577 10617.5741 18981.2270 6951.7592 11230.3665 14465.4498 12976.9766 6094.3104 9910.5211 11003.1127 11651.3291 8248.6314 5163.1429 8453.0157 4496.2955 6586.7241 63029.3432 14849.3288 22304.3942 26271.6171 17610.7112 40898.4519 11812.6729 17663.5930 17230.6532 12397.0079 8114.8686 8628.2873 7562.1132 8664.2088 12454.7372 9100.0951 13678.0376 33502.3610 3494.0088 10182.4808 4147.8537 11336.0539 4328.5710 12519.7981 13984.3145 5240.9739 5570.6081 8745.3477 3389.2129 8732.2294 4593.0538 9662.9872 12446.2459 17503.6582 8560.0477 1308.9712 17087.0550 23730.2271 7633.4712 8125.7770 43995.3047 7210.9816 7750.5182 4496.6049 9200.5080 5107.0909 20029.6233 8144.9571 6081.1953 6566.3019 6480.1935 4692.9784 7901.5005 10174.8349 18645.7530 4984.7270 11327.9210 21154.3716 10615.0292 7645.5669 60177.6931 16601.3233 hexuronic acid 1119.4668 1405.8551 1441.8518 2682.5688 1277.9645 1091.0206 1120.7758 1216.5576 1473.5371 1017.3549 2142.3908 1233.7866 1385.2089 1273.5554 1202.0409 1293.8187 1180.0834 1264.9365 4666.6299 1921.1569 2171.2042 1629.2724 2751.8852 2812.5323 1554.4983 1209.2420 1416.5802 1929.5933 1611.0416 1498.4255 1508.5218 1584.9273 1542.4874 3172.2879 3517.3045 3439.6276 2676.4806 4134.1558 5566.5131 2817.6430 1944.0073 1689.3718 4828.9442 3571.4892 3219.2943 5122.4944 3181.9599 1094.4979 1803.3751 1779.4545 1258.0469 1212.9880 1630.6490 1125.5127 1309.5593 1493.9870 1208.0182 1423.3997 1197.2616 1489.1487 1141.6941 1874.7054 1626.0012 1650.0390 2082.0576 1127.0743 1763.0626 1638.0249 1063.4080 1124.8828 1203.2612 1387.8858 2866.5677 1138.3729 1313.8243 1623.5722 1671.7210 1518.7691 2085.6145 1553.4096 1122.4305 1516.4989 1849.6993 734.9817 1217.1116 2922.2520 3180.6873 1797.2374 2182.3361 2433.9709 2951.2103 2699.7806 3708.8120 2388.9340 hydroxylamine 14755.9712 11439.0873 9592.3789 9671.7331 13599.1121 14762.6034 17707.9586 14603.2432 13593.5982 10848.8990 8928.5542 14076.0306 12362.8855 16576.4203 12621.4289 17409.8832 19035.8494 13174.1110 5694.5978 9490.7639 13590.7137 10957.0455 7468.0293 7309.3479 13698.1252 15094.5050 9712.7161 9462.6039 14384.7503 12506.6282 13022.8208 9949.1495 12139.6347 4928.5747 8835.4595 4845.0139 5949.0754 4369.2044 5943.5523 10145.1646 13339.8150 1987.4963 1839.5276 6581.4689 8630.2916 3433.5971 6261.2418 14036.4361 12660.5066 21929.0669 12374.6994 18500.2948 14192.5636 14274.3392 13073.9776 12807.3828 12747.6001 14770.2923 14561.9638 12197.9598 11451.0604 10565.2194 16880.6952 19967.1813 10724.0416 13506.4309 11897.9688 12058.0567 12561.9356 14415.1209 13844.2895 13029.1317 12226.9449 13295.1669 11148.3397 14293.7310 20939.8164 10233.5415 8133.8964 11073.0225 12841.9575 10355.8181 11226.9544 12682.3653 10652.0293 6919.0235 6680.9971 7099.2558 6522.5235 6327.4135 7973.4280 7083.4636 4757.5057 9065.8276 hypoxanthine 1808.6385 2328.1299 2005.7570 722.8729 2536.8717 1281.6724 1340.7412 3862.4850 2422.2661 985.9684 3640.7547 693.1967 1263.7431 1445.7355 2219.4154 777.1744 1129.1446 1131.6169 1742.3769 1711.3218 204.9049 2295.8787 1485.0270 2631.6006 642.9538 633.0592 2133.4142 1836.9120 532.8152 1400.3976 341.1060 507.1364 525.4133 2331.9099 1515.5672 1384.4655 1143.9601 2208.7818 223.2950 756.5566 830.1208 2214.4021 509.6686 1706.2175 1307.0888 2973.2265 2377.4724 840.2991 1499.8180 2390.8460 1288.6067 1061.5236 2415.2892 1748.0307 2993.7932 2008.9402 2938.1223 1147.1876 1258.4273 1680.5070 1766.3451 2787.4646 1293.0895 1946.0628 327.5147 623.7773 1337.9807 880.5806 1641.6667 547.8097 1673.7092 1404.2267 421.1787 837.3794 1040.8370 1185.2924 1915.4297 484.9607 3038.0451 356.5362 520.3103 814.5123 1513.3904 2046.6251 480.0886 1335.0864 2608.0304 1086.4149 597.2149 587.4317 1052.8696 1812.6926 1867.0833 464.6552 inosine 362.6606 294.7214 158.3042 118.3896 124.4334 124.2312 131.6799 285.6464 169.7623 82.2542 272.7099 117.6882 129.7853 243.3607 199.2002 220.7882 152.8166 163.1832 234.8821 204.3949 85.3771 111.2582 154.5671 108.1177 223.4294 153.3190 257.1717 192.9593 137.2975 123.8813 104.6959 132.0773 183.3884 294.1721 200.8869 319.9654 138.7715 245.1703 113.4778 238.0443 186.3536 169.7653 109.1620 167.0872 202.9355 211.0032 163.0146 167.6158 196.6974 203.0956 203.7323 196.0128 258.6244 287.6033 266.5953 154.6936 153.6636 154.2352 108.7390 170.4994 179.3466 359.2511 192.7879 188.0873 184.3990 74.8144 253.1022 155.2140 221.5025 189.6264 174.1562 142.7104 90.6172 155.6420 185.8637 177.9755 247.7370 96.7985 335.2432 160.2956 211.6147 172.2507 252.7122 122.6717 110.5534 124.7665 189.7758 132.2982 129.8756 175.3188 188.5440 192.5835 200.0195 118.1840 inositol-4-monophosphate 136.4350 94.8529 164.2941 130.9250 154.7010 156.2115 166.0963 147.9443 95.0669 128.7928 77.8071 146.1403 75.7081 92.3424 102.5924 145.7202 139.2329 89.5908 92.4597 94.8144 106.3929 91.4580 77.6533 88.2594 79.6264 142.1910 80.3127 172.4479 132.2591 128.1902 149.7264 141.1513 85.5062 85.0714 120.0567 203.0549 121.8776 104.5910 96.3951 134.3418 134.1182 99.3748 59.7441 66.6742 97.7780 187.4615 115.3804 129.8745 147.5231 205.2003 76.3996 170.5566 81.0941 186.7554 119.7878 101.7448 102.7510 168.3483 191.4259 71.6460 155.7253 125.7690 122.2557 133.5848 156.8768 205.9825 51.9184 126.2407 102.9104 98.3248 178.6798 110.0286 99.5513 99.0449 160.3075 108.9646 151.0591 101.6385 83.4246 103.9492 183.2540 206.8740 171.0371 167.7562 89.0569 108.6402 92.1134 53.8162 80.9061 94.4900 72.4406 137.2158 70.4294 93.9412 isocitric acid 2659.8997 3380.8275 3017.1925 1011.1864 2172.5397 1639.6059 2967.2876 4183.4104 3608.6623 1391.8280 5072.0967 1555.8126 2972.5834 3399.3541 3379.5644 2144.5891 1927.1866 2537.3389 4816.5179 3452.1760 1373.9138 4142.9531 5346.9847 3277.3651 3293.2071 3355.7083 3624.3263 4482.8858 1229.3797 2089.8242 1912.6705 1754.3089 3398.8727 5022.3917 4027.2483 2472.3477 242.5485 1934.3710 457.5718 5688.3157 1757.6537 3314.1500 200.6221 7422.5281 3522.7751 3569.6156 2855.9307 2354.3915 4373.6811 2754.9449 2911.3344 2843.4578 3977.9944 3594.4193 3598.1359 2270.5696 2279.0350 3282.2872 2242.7418 2177.4945 4970.0874 4607.3795 2568.3108 3113.0593 5004.9197 2352.2818 3691.6152 2494.8060 5414.0697 2231.0370 4265.6968 2379.2327 1204.8263 1592.4358 3144.5822 3086.1189 3462.2752 2390.9239 6189.6403 2587.0731 2978.9676 3655.3510 3704.2031 5075.6722 2952.1865 2867.9319 5312.6135 2058.4703 1243.3993 2178.9617 4341.4745 2675.7077 3870.7996 1479.8259 isoleucine 13032.4588 16454.4330 13444.7330 15683.1387 14076.6673 11182.0386 12136.9995 10829.5248 14027.2198 13315.4434 26672.4185 15192.1289 23788.9871 14922.9144 22389.9345 8969.8874 18154.6073 15275.2281 23126.4072 18184.9315 23539.1109 14199.5616 20881.3435 20035.6155 11462.6425 10461.5504 13551.4945 15809.7503 18360.0806 16809.0807 19632.1725 15587.1353 21480.0654 21334.6302 19841.4489 17417.1912 15640.1554 14090.5435 21507.0935 33042.1966 13894.6406 11072.8385 16559.4359 29734.2941 20890.3607 22751.7222 17436.2087 20354.7749 10258.5282 10006.4061 17828.6128 10289.3968 11548.2384 11982.2277 9320.9282 11940.4758 13442.7891 19053.5964 12184.4310 14097.0325 14113.2635 13270.4983 10898.6282 13523.0525 13501.0358 13408.2977 19880.4241 12898.2817 13610.6420 17981.7367 13597.7567 10952.7500 18792.2273 18365.7501 15589.3216 13431.7001 11892.3816 13295.2793 7529.0682 11592.7687 15743.4785 12675.5767 16047.7033 8780.9862 15642.2890 17384.9802 19175.1277 10317.0171 19864.5810 20325.5920 14359.1168 15392.2401 14324.6349 17476.0873 isothreonic acid 1 21929.8873 29440.8078 33713.6605 27359.1379 31926.6931 25107.0039 31640.5935 32738.9418 32035.6090 21886.1169 41161.4821 27553.2737 29066.0923 26547.4742 34406.0683 25515.7529 18451.7506 21384.4661 42440.7187 31207.9196 21169.5692 43484.9789 19817.1235 45875.7564 33727.1469 27586.2960 33897.9601 30960.8559 24064.8559 25545.4076 25204.6969 39505.2215 21069.4104 26195.6248 38663.0103 38763.8031 35608.7760 51645.4575 31822.5915 35164.5617 28273.5184 37785.6162 50802.3816 39175.5249 35966.6204 64363.8148 50697.5339 15950.1424 23826.8692 27465.2644 19768.1442 23095.1392 27645.4175 21872.7946 21872.5232 23895.4866 28486.0865 27209.9187 18631.7473 32132.7816 18561.0586 32136.4722 22288.1603 23897.7793 50254.9258 28089.4121 24716.4076 21222.9248 19647.0750 11107.1930 22738.6971 30891.8970 25037.1586 23064.5934 21164.0723 28202.4538 29698.2246 22770.8882 36769.3830 30068.5312 23327.7926 20938.4185 27398.6115 26376.5099 22867.1614 33950.9151 28222.2189 18554.2616 16420.7482 19027.7778 35032.4740 32346.8142 38984.0793 27169.1994 itaconic acid 2612.0891 3299.5250 3092.4939 3970.9261 4562.5576 2242.3118 7236.4110 4471.3328 6820.5658 2675.4268 4617.5801 6536.2237 2267.0836 3047.2988 2768.2847 1800.1596 2063.0236 5890.5938 1164.0732 2793.9155 2541.6093 5340.3929 1344.5115 1896.1057 2429.2008 2773.3433 3056.1564 2407.4335 2509.1438 2310.6561 2992.2768 2177.7628 2327.7946 2746.1360 4167.5126 3520.8496 5319.1733 3191.7122 810.2071 3175.8879 3179.3061 2440.4798 3753.5508 3581.9321 2909.3565 4137.2316 3296.2818 1804.9225 2172.1828 2143.5534 1362.9690 2326.6969 7707.2272 3468.6706 1435.6517 3564.1817 853.4810 3725.8395 2861.1948 4934.5055 9130.9280 5948.5005 5230.6644 7611.1253 3070.7942 2691.3757 2245.4712 6910.1264 4445.7314 4305.2225 3834.8298 3886.9517 4455.5600 6080.3264 3646.4143 2285.8347 2990.9707 2180.8711 2953.8480 1970.1781 2154.3248 3303.9249 2672.2150 2566.6692 3033.0543 2381.5972 3227.2990 514.6176 2672.0310 3621.3570 2688.2410 4559.4155 2565.7429 3861.6890 lactamide 380.1523 281.1710 403.8896 488.8794 404.6888 348.0934 510.2597 292.4746 324.0036 265.1616 391.3465 380.2235 395.1797 330.8936 387.2863 366.5084 422.7925 694.3285 965.9453 857.9924 495.1869 534.6050 641.1944 724.4624 601.3579 649.1330 707.4357 562.9247 546.6709 918.8763 651.8165 470.8404 758.3053 378.4484 431.4909 379.0359 392.1804 350.8859 380.6997 459.5905 448.9429 283.2182 175.5443 288.3861 368.0511 464.7301 339.7901 304.1505 191.0235 458.8067 291.3372 376.7518 413.1416 207.9210 370.1712 454.7368 287.8879 303.4301 416.8328 301.0946 207.3421 348.6666 323.5075 393.2735 210.5452 414.8799 269.3267 604.2998 268.5473 788.9396 766.7398 735.3398 867.8834 731.9031 622.6435 652.5767 816.7264 672.7498 642.6782 526.5466 656.6600 450.1024 746.6059 689.8972 614.1858 355.6269 358.4655 253.3847 338.5282 420.0820 487.2375 405.6291 531.7419 333.3396 lactic acid 394992.1835 352919.5983 375718.3338 362359.8935 520175.2875 445751.4093 445557.0172 460979.7322 150297.8765 352022.0964 189119.7194 431944.2855 391088.9845 361284.7781 321450.1747 481668.5298 434555.9606 350625.2521 399689.4399 406016.1529 345712.7129 423187.4798 339076.4848 391670.1361 280351.6346 308418.5229 464426.4037 305879.2785 323862.1977 341353.3904 330343.7520 430016.3975 379852.4316 478769.0107 240177.5774 233147.6805 274360.9796 226627.3123 344184.2666 349551.5348 239146.7846 234285.2300 243863.5281 864161.4068 299362.0876 637224.3487 286946.9410 280816.4146 322578.1341 408703.1283 324731.9550 342606.1122 365107.5620 373212.0286 374005.2849 348051.2173 353571.6422 268687.8667 379683.7243 335654.2968 272090.6321 286796.9234 300373.8682 293579.7627 297772.0809 371171.8011 342661.4999 293704.1705 317134.7222 376138.0872 350939.5084 366083.7404 508537.5297 359593.3604 310319.2699 28804.1804 332683.5603 319850.4434 327133.2630 245487.2960 335689.6189 267569.4451 379565.0322 308808.6748 323486.5493 191614.1743 195105.0932 126651.9794 299185.5000 302519.3534 514246.9086 248773.4089 915286.3445 300479.4057 lactulose 510.7567 388.7274 190.8207 289.7063 285.8605 269.3726 278.3235 357.3425 211.4754 207.8001 237.2731 310.3866 356.0777 530.0068 266.7402 314.9911 511.0865 181.3147 265.3191 289.8833 176.0081 258.3453 280.2915 291.2560 274.5330 242.3430 211.0346 230.1838 182.6435 286.5429 681.0863 303.4753 351.0256 351.4164 322.1323 415.9550 287.1967 316.0222 291.6257 246.2933 355.7660 183.0153 283.9688 644.2497 285.9545 264.1899 197.9463 147.6351 219.3933 505.1083 264.8520 248.1980 229.0360 201.6959 244.9795 226.3302 291.5906 251.0103 135.9237 167.7786 153.9756 270.8392 938.5478 244.7273 293.7999 217.6419 367.7554 300.0804 226.4030 187.2854 273.6741 233.1299 297.3777 201.9486 195.1569 276.0436 213.4969 287.4917 251.0462 273.9597 235.6122 190.4279 261.3601 260.0220 262.0526 285.1806 247.4854 248.9000 160.7477 143.4426 225.2605 475.4406 216.2182 221.2163 lauric acid 5420.0849 2356.9246 2566.2394 10891.8423 4487.4492 3312.4222 4846.7194 2701.6910 4379.8684 3326.9668 3288.6970 4468.2732 3853.6262 3568.6485 2912.7690 5451.9959 4783.1583 4113.7100 2693.3909 4332.7062 4438.2934 3380.1745 3194.8788 1832.1177 3406.1103 6091.9582 3349.2124 2715.1049 4029.4935 4621.3122 4657.2795 4474.4959 5036.9921 5989.1842 10786.0836 4778.5596 5030.7698 2792.4670 6989.2563 6239.8242 5919.5517 2865.3071 2748.2276 4021.3394 4067.0111 4903.6440 4623.6862 3978.3778 3644.5767 4044.0234 5854.2474 3002.5590 5765.3523 4066.2880 2811.8599 2908.0317 3114.9281 3160.3103 3589.5196 3093.4751 3831.0179 2491.0980 2244.8033 3408.0144 2617.3652 3478.3845 4631.5547 3564.7477 2834.4478 3365.2840 4869.5892 4219.2163 4621.4789 4419.7169 2605.5774 2627.2570 4432.0748 2266.0538 2875.0582 5079.9118 4368.6435 2878.0588 4352.7990 3545.9457 3638.0273 1650.8220 5258.2333 6019.5680 4356.1557 3843.3515 4372.2369 5895.4639 12506.8521 4451.5991 leucine 31252.9464 60710.9211 41959.1701 40784.5174 56953.4986 26140.2139 36547.1675 29735.6719 51623.2730 45175.9670 76403.4638 42551.4111 75527.5798 31124.1938 52913.7357 22095.0082 48369.8370 41886.8896 82335.6376 53407.6960 50744.1812 44969.0500 74746.8528 64127.7969 11482.8462 29013.1520 35424.7567 49145.3734 43990.6321 41916.0561 61253.8641 38738.9716 52999.2373 56659.1298 48347.1874 28259.0943 30339.0778 23544.2196 40659.2176 66308.2962 32426.9459 49067.9699 85122.0357 85300.4319 56797.0229 53494.5356 52689.6991 60139.6626 42409.1037 12104.7102 43362.3809 7752.6863 31555.4683 25195.7961 22314.7471 27952.8189 29782.9704 40296.7283 33444.0373 32122.8056 42792.9686 30906.8000 24782.1772 25951.7786 35379.8421 42658.7907 62299.9276 33633.8346 27398.6821 41152.4488 33676.6131 32807.0486 27054.9874 42936.5974 42043.5407 28524.5047 13143.1512 44026.8794 24181.5410 34952.2024 41605.1934 33032.3244 37877.9991 24226.0857 47222.6998 48755.6902 38426.8316 23873.0976 46317.6877 43213.7978 31955.2369 39957.4753 46624.2602 53413.1288 linoleic acid 178.4150 82.1494 99.2610 208.9228 144.6118 188.1918 157.1181 536.0137 131.9296 104.9824 130.1920 102.1689 103.9947 167.3706 118.8362 250.2266 207.1513 136.5193 151.6109 160.8736 181.2621 180.0874 355.7261 61.7816 183.0220 171.8657 122.1779 164.0914 113.3649 175.5883 133.9657 104.8552 141.7603 100.1775 197.3209 172.2890 124.2910 224.9269 115.9182 321.7133 319.0600 119.2498 148.9914 149.4145 141.1324 115.0926 224.4097 137.6448 144.6861 143.1140 133.4447 140.0091 94.2445 119.5235 203.5491 154.6936 196.2451 125.0011 168.7720 97.9464 133.8538 102.1095 86.5194 215.8730 125.2262 121.4520 181.7144 185.2220 147.0149 203.6728 195.6430 227.6830 193.9975 137.6338 102.2251 151.3397 97.6849 145.1978 105.0532 166.1245 113.4429 109.0633 100.8927 128.9625 93.1515 143.4390 441.7005 226.4766 158.6186 126.3661 150.8352 268.4133 93.6711 128.2852 lysine 25878.3398 35943.3111 39288.5355 49343.3884 29880.8288 24627.2992 33476.6308 23024.6896 35756.7995 35600.9262 46280.5712 36361.7857 38429.7717 36139.5397 38906.4545 11454.4903 29724.5188 26877.2342 70306.1156 37479.6576 34153.4491 35657.3056 52763.5719 32556.6800 29555.6720 25511.5434 23423.9817 33938.0512 31347.9230 32328.7183 39630.2178 30463.4731 40414.0702 72075.3361 67691.7680 62289.8714 53955.5797 72790.8321 62234.6417 53762.6554 51731.4893 63750.5985 56343.8293 72375.2720 60611.2871 80487.2472 64103.8952 43722.1941 37034.9135 24309.3898 34930.9200 31947.5334 38913.1142 27871.3787 40389.1879 34574.5349 39426.7506 40169.7111 36102.4792 32589.8650 42336.2910 52739.5528 40790.1546 44840.6638 42836.9936 37992.1201 36147.1107 25041.1887 37323.1698 31426.4853 35557.2743 31735.0866 29694.3738 34789.1916 59294.0195 32530.7690 44424.4755 49317.8875 25348.7127 33420.1655 34570.6411 45787.5347 33912.4359 30430.9664 44207.0475 69461.8357 51129.6046 59240.4420 47039.4555 37058.2878 52428.1421 48841.5950 44635.3340 56156.6149 lyxitol 57759.8201 103198.2337 97807.1806 84141.5710 75088.2639 84924.9448 98083.5954 96855.7376 86926.0795 63642.0399 116874.6970 59623.9652 76744.7333 65514.9995 82888.6676 63416.2504 46041.9314 54653.5759 86160.9417 82455.8684 72127.8498 136393.1067 46824.9430 113013.9338 77366.0033 75646.8636 105775.3058 83205.7335 61577.3119 79916.3849 80786.9695 90167.4442 70492.0121 79722.2197 119312.5806 114045.4986 114298.2703 132118.6667 142127.8933 92540.3051 73637.9249 90462.5481 189856.3561 96353.8936 124499.0594 135212.0534 129001.6925 45388.3618 58163.8124 112076.1680 69994.2660 97987.2853 55976.8473 49746.6634 57455.7904 57571.9681 72721.7677 75681.1147 45549.1795 96031.9525 40223.5008 77519.7832 66588.9352 60586.5667 140172.1546 92480.3329 59741.8644 53691.6199 45397.2297 29832.2186 48931.1158 53714.6653 120097.1885 71044.7618 81491.9589 70170.7658 68433.8133 53064.9589 114983.0151 83443.0644 71400.3236 53530.1620 73491.1975 75044.6673 61118.6539 98650.4052 77535.0805 52323.9371 48323.3078 74288.4791 86059.4362 108633.9721 137588.0509 72083.1780 lyxose 2368.3719 2727.0201 3209.7246 818.9774 2092.9472 2896.6781 1138.7322 2482.0506 1031.1850 1352.8655 1935.1620 2505.0782 2250.4445 2554.8060 2849.5037 2440.4452 1908.5090 3736.1489 948.1425 510.5987 3407.2013 414.8610 2029.3397 881.1228 3483.3598 2605.1869 3166.3728 578.1183 2704.3834 3241.3819 2887.5808 3701.1885 2861.0835 1939.9455 880.8120 1682.2794 1102.9320 2045.7098 1290.9625 4534.6258 865.4150 3348.1031 1420.5814 1480.4891 1676.9848 1876.3588 2976.6039 432.9150 2476.6856 2806.5081 1813.2174 1844.3018 1957.2171 521.6701 490.8596 2120.0288 770.1694 2126.0269 569.7470 802.6167 1621.1181 513.6606 2489.3148 1848.8131 3635.6882 892.9149 1966.4097 1895.6801 3594.0249 1741.7540 1989.2260 1884.6487 3206.0632 3058.8145 1859.7991 2244.6703 2341.4165 2635.8242 2757.6458 2192.6489 1992.8868 5497.3086 2698.1588 2106.3882 2418.8685 1922.4225 863.4245 809.4856 950.6469 1703.0965 1093.5554 4977.0811 1994.5605 1086.8892 malic acid 381.3184 166.8394 155.7371 167.1382 192.8157 207.8720 205.0017 270.8519 150.3609 196.9772 177.9548 156.4866 184.6945 219.3132 178.6817 178.1025 310.7270 201.5793 121.7482 223.8241 173.3811 144.2585 154.5671 142.6860 125.9762 173.1021 146.1008 150.4171 95.7304 228.3725 174.4932 113.9293 200.2646 136.7503 96.2831 168.5971 89.2965 86.5968 148.8633 146.1262 158.1182 77.8436 37.6166 127.7253 86.7088 86.3195 129.1414 206.4671 218.4476 146.2709 174.1911 189.6487 233.4195 159.3646 150.4102 172.3432 135.1499 130.0415 184.6298 112.4570 153.9756 138.2214 172.0985 174.1945 156.1887 104.9345 244.4492 191.4306 216.6020 152.1694 189.9886 159.0513 211.8656 151.7831 162.6308 163.4469 158.1086 130.6780 167.6216 167.0960 207.2515 189.5624 152.7804 145.7382 146.3810 77.2364 122.0780 139.0252 108.5845 126.3661 123.0498 131.1975 69.7251 92.9310 malonic acid 138.7672 85.5370 71.0230 135.1034 79.5925 148.8314 146.6436 73.9722 145.5106 161.2616 57.7775 183.6454 67.3885 82.7234 84.6387 119.2256 173.1921 68.2596 37.9027 49.7387 112.9604 75.4293 90.9653 70.6075 162.8183 155.7919 84.5847 41.0228 158.7109 182.0517 155.3552 78.6414 92.2567 97.7923 133.1322 89.8364 142.3917 76.4751 70.7711 95.4534 94.5886 82.8123 61.2192 104.4295 85.7864 35.7485 79.3902 111.0038 76.5985 190.4679 106.9595 117.0985 74.5189 144.4242 86.4633 18.6878 161.0691 114.9204 81.5542 102.4810 82.2370 82.1857 75.2343 57.7086 36.4670 93.2751 107.0817 88.9893 78.4080 76.0847 123.2664 89.3302 149.3270 102.9038 92.9319 76.2752 98.6920 61.9511 311.2973 135.0369 133.0773 70.1121 92.2447 87.0235 11.2601 54.3201 134.2858 63.9068 37.2594 58.0601 133.9655 129.9939 50.7092 31.3137 maltose 1 416.3017 412.4406 347.4135 272.9925 208.5100 260.7625 251.3890 3276.3979 306.5423 191.5658 252.6804 322.0261 287.8572 200.0752 265.8853 279.6650 309.0290 171.7157 228.5649 483.3979 227.2343 456.3471 2009.3717 251.5392 496.7739 148.3732 200.7819 249.1758 327.4987 450.2817 335.4772 486.9720 250.8933 240.1080 391.0758 401.1873 260.6491 384.6249 302.6075 399.4902 310.5894 197.0934 198.4093 383.9793 207.5476 390.6174 675.3461 184.2664 170.2189 141.0094 243.4601 291.4735 189.5849 180.5302 178.3306 603.2012 161.0691 235.8892 134.7910 343.7195 221.3399 500.5856 725.0705 767.3109 421.7784 149.6288 288.7962 235.9252 176.4179 122.9060 287.2447 123.1013 273.1280 222.5294 224.1981 238.5114 210.4757 232.3165 260.3156 304.0758 158.1656 216.3954 287.3040 182.4348 261.0290 250.3817 277.4500 282.5351 252.2993 158.2423 260.9846 412.8510 281.7176 346.4712 mannitol 1703.6885 9650.4331 12649.7892 13270.7766 12994.8815 9225.0896 14531.1801 13318.4036 15676.3397 8668.0798 17444.1916 7635.5094 16591.7245 7220.0204 13965.3893 7920.4077 6837.6921 7063.8064 24551.2052 12277.6849 82130.1002 16862.2151 9384.9566 22197.9704 9351.9475 12755.1535 17787.5648 12239.2430 9516.3562 12802.8662 10019.2864 13666.4696 7505.4220 15338.2905 23389.6591 21427.8339 19680.2172 27040.7077 21770.6548 15571.8672 12048.0454 19046.0109 9003.6539 24891.9781 20217.9064 25717.1015 12649.5079 7171.9584 11329.0162 10838.7825 9076.2736 7620.3140 9414.5868 9160.9758 9073.2468 11171.1607 10208.4477 8957.7407 6161.8764 13637.2283 7201.8587 13382.5697 11633.1031 12268.4244 20229.5359 9370.2626 8920.2317 6878.0488 6463.7563 22343.1448 6429.0791 8322.9570 12496.2440 8147.4059 13166.1230 9952.0980 8183.3765 9604.3510 12777.0922 10403.6671 7641.0356 8863.5554 11091.4699 10899.9561 15645.3599 18770.1429 14458.4769 26517.9404 10798.8376 9282.7869 13535.4770 14014.0641 26675.1337 10132.5144 mannose 97264.1694 125539.4732 130642.8946 56311.6604 122750.7361 142088.5200 113485.6587 131854.8135 151742.3115 119860.6363 179186.6066 141112.0772 138282.9510 122252.6628 139305.0785 148351.9878 112807.4863 134548.2876 236616.3965 163621.6395 156766.7220 149879.8616 145465.3480 252543.1928 133584.6493 78342.3109 146071.7996 159428.4664 149955.3534 138379.7551 138441.7709 157706.3201 109679.7429 56227.4124 75970.9252 57999.8743 70660.0525 69988.2434 114101.3172 64590.1350 49978.0709 51813.1992 79505.3547 103241.4213 72124.1847 108289.9669 79629.4460 70535.1726 83409.1728 75896.7330 86308.1292 65747.0056 94704.7601 65412.9529 93146.2361 98346.7048 93353.4219 81782.9833 88123.8943 95568.5207 89598.9263 103032.2134 124028.4395 90208.1858 102908.4151 59159.7415 98005.7318 91268.9244 81814.7875 89476.7567 88644.3911 86644.8152 102625.9307 76829.2399 97035.9762 106820.3958 92167.2165 88991.7366 99680.0121 86614.0019 77361.5312 78301.3757 102872.1102 82847.4254 79734.6258 50547.4050 46517.2750 64410.1622 50207.5687 39356.7851 58456.5895 46516.1487 76634.2258 83918.7548 methionine 1477.4629 1048.4630 1798.6780 657.4104 1782.4242 432.9642 852.9269 1085.6838 1010.8135 1600.7105 1685.5631 1069.5404 2096.5324 620.4254 1797.0767 619.6788 1411.0062 733.7912 2975.3642 2057.1611 1390.9893 1552.9003 983.6085 1660.7474 461.1203 356.0958 1641.2850 738.4113 1053.0343 863.9376 944.5147 1564.7629 439.9071 1342.0607 1406.2086 1748.7337 1655.6048 1220.2282 1862.0121 2211.9264 1043.2981 1546.1065 2319.6929 2069.3109 1789.5218 1719.4143 842.5948 985.7141 404.7428 391.4589 1487.2457 747.1395 693.6833 1410.6259 563.8130 1186.6763 1355.2020 1359.8911 1003.5703 753.6435 965.8469 509.9248 676.1682 567.4681 1513.7233 627.6638 1181.1438 931.2839 948.7363 1219.6960 874.1738 612.2385 1324.7984 1560.2784 1105.8893 911.6703 401.8173 1313.5562 811.0723 798.5633 916.2698 841.3453 953.1957 640.6188 2510.9963 1842.6398 1234.0978 1108.8383 652.5717 918.7158 670.8198 509.1428 1620.5804 763.6508 methionine sulfoxide 707.8295 486.1210 765.8501 968.0090 724.1799 773.6775 1062.4177 743.1357 607.2641 1212.1675 1914.3621 1087.6462 1144.7732 863.7861 1237.9482 919.9507 1178.3855 603.6712 940.1025 612.4076 639.6712 907.9799 1027.2423 887.7423 1085.0588 594.7294 686.9303 863.7589 862.8331 681.8859 849.9507 414.3799 754.9300 1148.8612 838.0195 749.4573 376.4932 668.0328 666.2245 967.4968 961.4154 888.5764 593.0153 737.4330 776.6893 754.2056 841.5363 1269.8840 713.0282 553.5145 798.6306 873.1477 749.5725 494.2793 584.5282 661.3410 967.3402 712.7079 766.8365 713.7394 859.1139 625.7319 703.4407 1043.0298 807.0897 870.5677 939.9395 904.3801 610.6020 673.0568 670.6146 565.3946 268.0228 765.3468 743.4550 739.7484 480.3680 704.6934 454.9729 1061.8366 838.8232 785.0825 537.1335 686.7518 461.6630 656.9338 631.4763 634.5829 1206.1399 451.9581 1325.7623 842.5530 831.7712 640.4161 myo-inositol 288065.6167 280922.0320 363763.3717 266809.7445 348484.1147 266022.0637 312982.2570 370100.9455 282469.9853 312707.8250 313318.2960 303936.9876 284865.5081 344712.2054 258887.6246 257630.3570 191521.5982 296083.6647 308547.1608 346804.5734 428428.6311 387191.6854 290813.1068 295835.1558 343348.0360 292081.3919 364560.9200 281256.4528 328604.6307 396623.8539 277485.8247 276837.0009 428166.8274 489259.0275 424319.5842 505587.1069 452484.5025 659831.9562 680487.3170 397239.3471 316120.7220 485587.5685 511545.7665 509475.4199 512537.4857 362183.4575 532706.2375 223022.2632 320523.2132 218902.3666 262663.8939 305801.5354 274239.4296 225229.5250 246179.1434 289846.9782 293430.8514 287955.1746 224644.5706 278570.5659 294208.8770 347237.6488 307364.0748 277464.0972 294265.0592 265160.7469 332204.2671 292721.1487 278213.0100 381164.3583 236093.6515 379816.6196 372842.6904 252831.9868 273407.8918 237119.0256 303548.2827 276217.5341 322654.5991 297360.8798 311285.2093 261792.5536 317703.3990 311900.6304 201749.8030 499452.1568 493131.9462 308911.8061 335158.9148 346313.7523 287409.5803 503389.3213 320598.1321 420966.5271 N-acetyl-D-galactosamine 244.8834 206.6438 293.5045 320.3483 155.8220 173.4317 264.8562 253.7814 245.4278 225.1168 222.6361 152.6067 304.4964 308.7699 457.3911 273.7773 259.7882 216.5111 208.4650 215.2753 174.6946 229.1164 329.8417 433.2065 280.4752 424.1002 152.0816 405.6704 365.2870 478.2897 292.6983 344.8124 244.1428 387.9891 577.6985 627.6244 884.5177 1124.6343 1043.2636 490.2298 557.6492 751.9361 496.3922 388.7991 622.6429 1266.0190 853.1802 104.3436 101.1857 258.8680 303.5611 239.2883 338.6227 276.3980 355.7606 344.6864 138.8527 108.8719 280.9091 279.3287 384.9390 227.2559 162.6942 340.9083 339.2116 143.7991 275.8165 109.6845 182.2985 167.3863 217.1298 130.7271 204.2078 182.6542 217.2283 346.2652 157.1015 264.2600 396.2667 398.3102 338.1472 212.9331 503.5026 162.5138 302.9983 398.9133 815.7031 705.2167 397.0787 670.5373 342.3563 913.5682 587.3812 393.9468 n-acetyl-d-hexosamine 242.5511 226.9694 267.8336 250.7074 35.8727 89.7909 184.0526 250.3673 220.2060 71.4313 231.8805 249.6025 178.0389 134.6660 429.1782 275.2493 273.3718 258.1068 371.5616 83.9340 179.9486 298.8885 139.0364 274.3396 68.9304 234.9243 192.2380 326.6634 280.8931 252.0716 73.1746 218.7845 209.2653 589.9342 397.0192 511.9446 417.5213 1030.1650 213.5335 576.2557 369.8837 667.4675 801.0132 259.4672 253.6693 738.5111 663.7022 172.0560 172.1103 70.5047 145.6686 199.8312 173.1469 168.0799 131.4963 167.1521 151.8122 278.2283 235.6012 275.7011 244.9612 216.0487 194.6687 355.8698 271.0941 151.5721 261.7553 191.4306 229.3433 196.6496 247.6637 234.2193 181.2345 207.0938 305.5135 215.5077 215.5110 184.8852 169.1665 293.3894 249.7926 280.4484 179.6851 270.5068 350.0859 581.3949 519.3865 377.8347 435.4027 406.4208 240.1456 515.1610 570.4781 706.0739 n-acetylglutamate 356.8300 310.8125 328.5882 374.6682 329.5803 375.1536 984.6068 1000.3313 985.5917 162.3439 406.7538 337.5454 333.6149 316.4651 295.8081 272.3054 538.2539 341.2982 275.0819 378.4803 252.1907 318.6887 312.8319 355.2440 515.7892 309.1109 285.3666 299.3149 404.3349 492.2936 163.2356 314.5657 286.8959 313.2535 404.1512 191.9792 207.5539 408.2423 317.2498 305.2152 176.4713 640.1394 338.5498 814.5502 652.1608 1118.6656 883.8777 388.5135 470.9391 434.6036 110.0154 169.2837 257.5286 813.0086 737.6404 707.0223 971.9686 67.5409 629.7800 681.0905 305.3266 637.5617 296.2350 402.8916 392.8800 177.8057 345.0411 314.5670 315.5920 248.1531 248.7946 238.5769 262.9176 420.6192 192.8336 291.7829 458.2127 258.4521 892.1795 325.4485 310.8773 358.3508 319.0131 298.8157 230.3197 214.7342 336.2695 350.9266 212.9108 181.0109 108.1647 403.2218 530.3334 393.9468 N-acetylmannosamine 661.1851 1363.5101 1544.5356 1692.2747 888.9701 1455.1041 1348.2230 1554.5535 1476.4473 1024.9309 1939.7842 893.6546 1747.9423 1303.3743 2304.9091 1128.9635 884.6381 1028.1609 2192.0411 1569.8774 1700.9736 2234.5924 1155.1854 2257.2337 1304.9229 1984.4922 1472.1156 1645.4721 1646.3107 2274.0303 1646.9906 2258.4206 1438.9799 2075.1056 2985.9645 1062.0389 2991.4316 3127.6081 3667.8953 2671.5168 2114.8315 1641.3407 2693.6466 2989.8971 2625.2469 4274.1221 1465.0141 767.0366 1521.5682 934.4504 1666.5301 586.7655 1343.5320 1252.5063 1236.6059 1370.4398 1449.6218 1599.8126 1181.4039 825.2895 1338.5379 1599.5078 1656.0949 1612.6352 2265.0805 1478.7992 1107.5927 1033.7251 1094.7712 817.0324 1205.5230 1433.6402 1346.4955 1382.7694 1046.6452 1541.2434 1625.3962 1527.4809 2306.5351 1478.6050 895.5446 1844.5544 2094.7245 763.2905 1423.8874 1560.0055 2767.8417 1958.6860 1631.9616 2153.9162 2137.4940 946.0667 463.4254 2026.3009 N-acetylornithine 455.9495 392.1150 596.4218 717.3016 506.7017 185.7318 125.6945 177.5332 101.8574 107.1469 112.4736 89.2361 91.5153 120.2375 169.2774 122.1695 108.6696 122.6540 209.0393 90.1514 128.7223 81.0865 74.6951 128.7116 135.4838 117.4622 146.9552 97.9990 165.0090 162.6616 103.5702 204.6694 183.3884 871.3854 870.1139 1260.1713 1025.7027 1016.6694 1250.6962 1009.9206 646.5907 1008.6543 1919.1863 1270.0235 1002.6857 1608.6812 1053.2435 371.8629 560.7768 609.2869 492.0135 390.7527 625.7396 144.4242 108.9798 129.7765 131.4472 101.8154 142.7199 103.3879 146.1018 113.3166 664.8831 98.3184 64.6773 131.1681 182.7961 364.2355 90.1692 107.6891 119.8738 122.0119 128.9062 122.1982 130.1046 177.9755 114.8049 104.5424 169.1665 129.2079 114.5337 96.9451 183.5286 113.2354 155.5937 971.8206 910.0362 790.4257 959.1633 794.6266 818.6780 1142.2612 1159.9722 890.9259 nicotinamide 174.9167 171.0739 177.1296 543.1993 261.1980 233.7023 167.5926 620.2281 314.3028 240.2689 244.9767 267.7084 203.8295 276.0653 190.6509 310.5754 271.6739 185.5809 204.4450 684.6842 242.9962 221.5735 235.9181 270.6621 209.1680 273.2541 504.9450 619.1412 1303.6967 399.6519 305.0816 333.7220 739.1789 205.9204 319.7550 333.5024 342.7054 379.0018 302.6075 386.5274 262.5892 240.9839 301.6707 342.2075 251.8245 292.9631 264.6341 173.1660 186.2952 220.9849 193.5457 190.9215 158.9006 158.1196 144.1056 218.0245 224.9413 195.5663 259.3878 220.3795 163.5991 181.1821 215.3582 185.9500 240.1316 178.7773 239.0410 179.0135 165.6368 191.9675 490.8039 284.3314 251.4309 241.8239 326.4232 276.0436 166.1650 143.2618 288.1238 449.7990 322.8760 495.9782 268.0863 232.7617 250.7925 291.1218 203.0934 172.6604 228.8791 151.4117 222.2835 213.0455 292.2820 214.1455 N-methylalanine 4770.5609 9143.1396 6938.8582 5776.0192 6786.6643 3900.3679 8476.8958 5841.5249 5991.1556 5801.0873 7531.1083 5465.3900 11152.3876 8845.6311 6461.6108 4370.1339 12050.4347 5845.7984 7056.7989 11808.2760 4662.9007 9860.4924 7922.1162 6307.6039 2627.6726 3476.8798 4885.4073 4896.1530 7356.1245 6434.2886 6721.9280 5099.5945 11824.6117 3990.4043 3936.9086 3972.4930 4270.5432 3727.0382 4799.0127 6705.3068 5414.1381 3980.7894 3780.8413 9074.9242 7783.4973 5497.4174 8844.0701 10603.0872 3681.4574 1832.0699 5749.3253 3604.5982 5323.7182 6749.3408 6267.6915 8363.8356 5376.3751 7355.9120 4560.2416 4757.6578 9925.3021 5177.0758 5498.6866 7516.0130 5579.4465 4598.6575 7576.8428 7188.4768 7950.5673 5313.0519 6502.5866 5761.7958 2405.8237 5451.3271 7151.1076 8057.3251 1947.6557 5083.8593 3604.2508 6314.6733 4972.9452 2919.6067 8450.0031 9876.6436 11004.1625 5310.6391 3833.2499 2226.6459 5809.2722 4615.2095 7001.9301 4032.2180 12850.5476 7152.6602 nonadecanoic acid 782.4606 589.4429 356.8262 912.2963 438.3194 510.4550 644.9324 706.7187 788.6673 673.1859 860.5000 536.7101 761.2409 367.4457 947.2697 765.3990 1124.0507 579.1404 1292.1385 1097.3599 768.3935 588.3484 645.6318 720.0495 600.1695 1572.7564 855.2453 841.7281 860.3139 1350.8451 860.0826 1291.5343 834.8108 1034.3726 783.3402 599.3197 584.0472 737.7601 496.6179 887.3631 1190.1221 395.8430 425.5844 560.7061 773.9220 530.9956 727.2144 482.8667 772.6049 395.6682 665.1859 591.8567 492.0439 597.6173 462.9391 524.2970 530.4172 988.9201 112.1371 443.4797 672.7684 491.2463 633.8489 671.1298 721.7708 666.5284 469.4289 1070.9765 537.0945 860.3422 1124.0993 653.6354 550.0849 473.3573 496.0239 205.8220 518.6363 573.0473 815.7070 794.6773 1030.8035 665.6322 615.9259 746.5149 719.6210 642.5050 865.6441 838.6360 783.5119 610.2004 749.2145 599.4163 542.3063 713.1448 octadecanol 267.0395 190.5526 264.4108 267.4212 295.9497 261.9925 330.6962 253.7814 339.5247 301.9596 4424.9884 429.3681 211.3172 193.3419 167.5676 528.4197 446.5639 280.5045 171.1366 803.5907 363.8376 265.8882 161.2231 145.6280 204.4142 340.0220 257.1717 318.3069 259.4797 406.1153 422.1609 444.6266 345.4002 375.2681 763.1327 539.0186 447.6890 480.2189 235.4969 603.3598 520.9431 452.1554 410.0952 354.2570 956.5640 486.5280 496.4535 249.7586 162.6537 280.9665 215.9562 350.0228 237.8030 268.9278 209.8537 221.1391 179.5828 215.7277 218.6107 235.7970 349.0697 163.7488 232.2859 334.4962 240.8196 292.4563 285.5512 434.5991 199.9403 216.5487 194.5122 314.8344 204.2078 300.9935 204.4501 255.4614 207.4545 294.2676 172.2563 175.8394 295.6061 233.7070 170.0763 198.1620 320.4003 451.5359 718.0407 553.8586 456.6937 275.5009 536.8543 480.2552 283.1262 322.2283 oleic acid 284.5311 29.6415 136.0560 332.8837 100.8919 170.9717 216.9726 1026.5060 163.9419 203.4710 194.1325 75.0101 61.5648 186.6086 118.8362 228.1478 383.7394 239.9753 132.0853 576.6579 174.6946 203.6591 938.4957 242.7133 267.4022 425.3366 183.6940 325.9037 259.4797 330.7093 97.9413 402.2812 219.3910 430.1273 430.3022 274.4318 296.8504 290.1557 194.0104 469.0179 423.5310 272.4526 108.4244 158.2509 351.4473 195.3087 256.1658 71.0425 77.5442 121.0155 168.0791 271.1086 127.1205 181.7753 113.4831 167.1521 112.9335 263.1072 87.2177 256.6560 194.2192 115.8071 144.8260 165.6451 125.2262 186.5502 153.5920 315.6018 199.9403 294.9745 435.3906 187.3755 261.6413 189.0857 154.4992 210.6648 175.2286 192.6291 184.6155 281.7316 315.2404 128.1061 206.5898 184.5318 149.4519 205.3979 694.7349 315.0491 284.2360 170.7650 243.1226 275.6352 121.8429 231.3175 ornithine 11278.6276 7819.4338 10053.6003 20434.0433 8087.0493 5586.7143 8909.3447 6964.7638 8420.2121 8949.4758 15483.6074 9940.1296 10911.1200 7017.0595 10838.8861 8072.0155 10821.1104 10315.7385 16925.2911 11852.5745 8595.4992 11969.6836 11716.0349 12943.9741 9984.2053 7899.6390 7582.7195 16738.8419 11118.5806 5475.5548 9448.5248 11712.5324 12831.5601 27951.1165 21918.0731 20577.4644 12081.5706 16665.9561 15830.7631 32463.5840 16396.2971 14294.2387 12705.5741 24575.4764 17694.1272 15701.4261 16952.4576 8451.8327 12354.1125 8392.1641 9984.9196 8700.9298 12829.3060 7354.4284 7446.6552 8316.0778 11786.7397 10383.1566 7668.3646 7499.2512 12693.3635 9355.4709 10377.6307 9059.1841 16242.9392 7770.9830 12368.4793 8155.9773 9996.0350 8883.1793 10064.8731 5766.1534 9937.2644 10168.1786 8578.7735 13246.4603 8319.3297 8250.1395 7692.0551 9836.3180 10022.2463 11222.2653 12272.3948 7950.5933 13189.6403 21375.8105 19311.6331 13859.9179 17289.4244 15000.0000 17242.8482 19938.4154 16909.3937 12349.7279 oxalic acid 949.2145 3236.8543 1338.3123 1520.9580 1874.3480 1710.9466 1734.2846 2397.8362 2160.3471 1625.6032 2084.6132 1448.4706 3558.2814 2822.2142 1668.8362 1697.1251 3190.4702 2508.5419 2042.7273 3632.4787 1782.4102 3396.2033 1478.3710 1593.0819 1058.9129 1599.9582 2082.1507 1437.3191 1700.4740 2506.7118 1794.4654 1695.8319 5116.8729 1391.3544 1905.4543 9517.7388 19855.1900 2322.3699 1973.0495 1315.1358 1540.2411 1207.4040 1556.2964 2062.0811 2261.8079 2069.0518 2425.1065 2014.7198 842.5838 1350.1124 1921.1955 1512.0984 1871.7395 214.1462 2548.8672 1977.7938 1542.1902 1869.9763 1320.7257 1819.2645 3010.3979 2584.4909 2399.0336 2330.7869 1087.1286 1522.5219 2011.8384 1763.2308 1045.7662 1469.0196 1934.9436 2672.2793 1181.8529 1549.9880 1525.2444 1943.2016 1327.3062 1329.0439 596.3312 1526.2080 2085.6046 856.0602 2821.1518 2536.2634 2386.1119 1411.4740 1633.6259 4249.2387 1677.7374 2472.6776 1234.4673 1196.4253 2684.7686 2918.2369 oxoproline 454208.4765 515490.6500 601188.0116 204536.8201 740023.3031 470959.2742 555321.2214 615277.7003 505181.6863 682133.1831 826082.3114 460202.3953 630806.6657 489079.9079 671928.0116 512336.0067 603352.0384 572491.4875 783209.3462 734380.8840 542085.1941 653984.0997 772833.0561 749180.9488 549658.9626 367813.5701 633649.6343 533376.0471 487209.7284 468075.3736 495220.6782 427505.9210 520873.5834 238382.7302 188082.4815 292375.7295 182394.0661 400626.2367 196112.8210 236566.5252 150744.5687 237299.5993 192292.5868 214220.2659 218749.6662 424314.3007 256596.5904 437562.7227 361252.8233 367609.4103 442383.2786 323899.6222 437442.4046 389495.8561 424312.5385 422914.6057 544239.4896 476948.7862 340280.5635 415155.9732 507385.4701 516436.8132 372832.0189 399557.3623 517489.0194 381859.5747 445585.4194 465428.7787 458718.9188 385778.6016 430457.6606 383320.1052 398170.8452 494163.1912 485095.0806 547496.1467 480708.4141 411003.6914 650882.4234 510044.9053 442879.0043 463250.6083 458699.4943 454897.0250 503354.9591 192815.1579 238840.0991 192082.4073 150999.5583 185360.8834 136170.4713 283916.2955 143572.4366 135115.6802 palmitic acid 53896.4937 31602.0983 25391.1381 63658.7790 33493.8812 44178.3391 51391.0874 61409.4146 52276.1304 35915.8732 36119.4297 59107.9476 38394.8295 56177.8376 32155.0202 45466.1721 71538.5254 57577.0083 38634.9402 54243.1506 51008.1933 44486.3026 48193.1203 31409.3080 50001.8412 116955.2120 57697.0194 67098.1877 74948.0758 93380.6697 62469.6876 90863.1184 61863.7583 93223.9224 69620.9959 55126.3392 42867.1307 46912.9963 38495.8182 79199.2192 86719.3860 45913.6478 46286.1718 49614.4592 73993.9582 37562.0523 57408.6536 31895.8445 46279.6933 40261.3416 44540.9722 43831.7613 41362.3752 40742.5621 37888.9563 46416.3805 32901.6012 65073.1577 68585.9888 35725.0580 53647.3735 31143.3952 47599.7988 49976.7306 29980.6663 51547.1318 46026.7513 72087.5807 41547.3988 61395.6563 68589.2832 47083.5345 49614.8495 48407.2190 40788.9604 61316.7886 50445.6923 53563.4714 56326.2670 77642.3084 82021.4176 55273.4433 52224.9399 53883.2769 57505.1940 48554.5361 66871.0105 55802.9312 74854.1271 51707.6503 56872.8196 44703.4561 36466.9327 69058.8785 parabanic acid NIST 276.3684 302.3435 261.8437 259.0643 270.1662 322.2631 287.3017 524.6333 538.3891 367.9794 263.4655 413.8487 576.5464 579.0637 780.5571 688.8591 220.7350 303.9687 149.8881 304.6495 277.1471 289.4599 205.5964 161.0734 459.9318 430.2824 703.1637 481.6386 416.9310 1736.4931 601.1572 311.5411 529.9136 676.5957 488.5475 495.9463 283.5766 425.1118 276.9834 489.0514 351.5307 445.5304 213.8986 408.8817 356.0595 239.7763 276.2780 297.4903 260.0567 193.6249 285.2252 319.4753 327.6640 252.7423 168.4234 249.1709 273.0769 423.3909 471.2023 174.1270 314.0752 294.4987 369.5885 293.8865 522.9226 693.7337 494.3065 240.0643 282.2687 216.5487 268.0197 197.1800 367.5741 231.5335 292.7354 219.1399 347.4360 241.0284 344.5126 228.2997 493.0404 427.5973 378.5878 437.2145 423.7882 319.1306 1161.9608 622.2500 308.7207 392.7596 391.9731 376.7416 293.6906 274.7527 p-cresol 49411.6300 42118.9108 37287.0569 51773.8570 43859.9672 53642.0510 63833.3450 58804.4564 47607.1810 55993.4795 43683.6638 67362.9368 51936.5985 61678.9429 40656.5097 73599.0008 66174.6642 53072.9385 32814.0000 39592.7748 41046.6612 45294.3387 38263.8510 17696.7418 53046.6613 48923.6053 42290.6422 36641.7609 56691.2833 57529.4127 49839.7580 49082.3365 48989.4451 22872.2756 17328.5791 22849.2185 23904.9054 16868.3903 14899.7571 35236.4464 33008.5951 15865.1888 12776.3819 24796.3850 31093.4021 21023.5888 33096.1936 43464.6652 43060.6640 50994.8932 48293.7210 50055.8027 51718.3111 60927.0878 46355.1584 51232.6458 52783.4510 50990.3716 55024.1972 47255.5309 45736.0023 37167.8552 53310.0819 60096.0434 39712.5310 60437.4162 45218.7710 48142.2027 37729.9111 50081.2788 57279.3061 43563.7080 51524.1929 53188.3854 52563.4287 50724.2211 20027.4192 40750.2488 32414.3110 41014.2888 50787.5257 43843.4384 50290.6828 48158.5981 44938.9523 22968.0686 27945.8786 23163.3963 30652.7730 28723.8160 31497.7695 27828.3227 26025.7747 38488.6049 pelargonic acid 32429.5526 14553.9879 14846.3669 2112.9060 16112.4424 23365.3069 22737.2343 13541.4582 18581.7009 14378.2545 9906.9203 18255.9029 17177.4224 15091.2469 16354.0821 28870.2612 21373.9428 12157.6822 9348.1911 15193.6156 18127.5191 10441.2978 12738.1003 4915.3122 15916.9695 10621.0516 12219.4991 6495.2845 18716.5503 24304.4398 21037.1241 21356.1902 8969.1536 16304.2879 16494.1257 12412.1946 14195.7247 7717.2407 13547.7850 17034.3076 16877.7107 10943.6512 11423.6579 2801.9240 6648.9036 6805.2883 19929.0615 21147.3423 14277.5866 14458.7254 18560.0117 14732.7769 27893.0833 19750.0080 9049.8296 10612.6027 8810.6643 14327.7480 16385.6074 8956.6580 16006.4635 6976.4443 10265.7197 14660.1260 13822.3580 10492.4788 15565.7880 10908.4385 8393.5723 11393.9738 13959.6398 12477.8992 10705.5965 11213.9382 11134.4000 13333.6320 9269.9952 12643.8251 19719.0985 10908.8410 11369.3810 6632.0861 4464.2614 12049.0858 12521.2014 7097.2614 12144.5435 15416.1035 15676.6248 10755.9199 12896.4120 19468.9931 7709.9060 15726.5593 phenylalanine 10713.0636 11725.3397 13177.7551 14536.8489 13951.1129 9742.9246 11587.8343 8278.0542 12310.1949 14139.0679 18313.1656 12595.2280 17669.9411 11672.6548 13001.0208 12007.9327 15582.1952 8654.0428 20886.7005 17684.4359 15672.6004 13919.5304 14118.1104 18914.7213 13207.2935 7852.6541 13035.4424 13649.2136 14459.0673 12718.8423 11460.2624 12425.3464 11397.0806 18079.6561 16668.8616 13604.6809 11174.1254 17357.6062 17058.2756 18096.0794 13208.5204 15481.7677 15157.2941 19275.2772 14910.2216 21675.7804 15868.5165 15067.6618 9374.3354 11321.7923 12654.8313 10770.5190 9620.6097 12177.6983 9783.8674 8394.9819 14096.3223 11209.7768 8755.7545 11650.1852 12570.8829 12662.1997 10885.4622 10141.7550 13132.9258 9819.1490 15626.3595 11816.9577 12884.3883 12607.8171 10084.0982 9462.4614 7567.1771 13417.3651 11919.6743 11624.0989 11131.0436 12021.4105 10137.6312 14469.3452 10648.3640 9511.8760 10914.6675 10049.6421 14951.3300 15382.7751 14305.3245 11190.4094 16966.8645 14288.4790 16029.2200 14957.7234 14442.2519 9613.3127 phosphate 1322.3701 1311.8491 1446.1303 1416.4966 735.3901 341.9433 2410.6406 2449.0476 776.0564 1171.0404 4523.5953 162.9529 1099.0156 743.5486 476.1997 1508.7192 575.6090 652.7328 8075.0040 617.0706 710.5998 2871.9698 4878.1067 490.5751 9012.0496 2078.4619 563.8980 7330.1754 9506.2794 895.1773 184.6251 7797.6006 4350.6921 4705.9580 947.3781 3646.3744 15759.6196 13362.9051 18793.3878 834.3334 1728.0065 30890.6605 25736.4215 27068.9317 644.7813 4240.9894 24292.3478 369.6428 3426.1290 2404.5260 590.8236 6252.0432 1681.0588 2302.0718 1178.9637 1455.5732 1034.9152 916.3388 1383.0241 437.1313 2878.2939 8631.9878 565.1977 2175.8286 1020.3871 1067.8057 663.0413 2048.8245 3479.3533 545.4686 4747.4536 1466.3220 497.7566 747.3386 3919.4017 11741.5385 774.4298 851.8271 3457.4853 2721.1384 3116.4081 5132.0332 904.1907 2052.9159 6152.0946 1615.1744 12474.1542 1075.2031 13826.4297 961.9763 13846.0785 7729.8222 785.2878 1754.5786 phosphoethanolamine 155.0928 120.2599 419.2922 164.3526 99.7709 136.5313 103.2490 141.1161 194.9842 102.8178 576.2346 241.8429 99.8349 476.1404 205.1848 169.2709 207.1513 92.7905 63.1712 67.6135 94.5715 166.8873 313.5714 139.0085 179.4566 165.6835 95.6918 435.2980 100.7688 92.6417 113.7020 39.3207 84.3811 413.4310 744.1138 604.2423 696.2711 296.9035 215.9739 201.5127 194.8243 247.6089 81.8715 391.2090 233.3758 296.4507 308.0340 137.6448 340.4379 351.4712 123.2580 108.1889 158.9006 124.5036 279.2045 153.6554 388.7875 378.0275 357.9325 164.1510 667.5192 496.2272 177.7410 547.1632 613.0579 399.3341 165.4899 87.9546 147.0149 88.9606 100.6487 71.8999 150.6033 190.3720 261.3709 168.2897 361.5348 316.5312 964.0174 132.1224 334.8748 87.4237 111.4624 117.4293 82.9151 263.9618 318.5127 467.5284 154.3604 100.1821 163.7356 345.4467 36.6233 273.7425 phthalic acid 4103.5453 2256.9903 1885.1035 3541.9380 2386.6548 1900.3685 2792.2132 3110.2450 1499.7290 1957.8669 1938.2435 1994.2337 1716.3279 1742.0006 1769.7187 4565.8994 1849.0804 2245.1023 3247.0004 2624.4931 2900.1929 3028.4855 3901.1541 3619.3702 2822.5792 3457.0967 1615.6532 1445.6756 3518.0917 2153.3807 3465.0970 1510.3188 1990.2700 2490.9218 4037.9464 4522.5873 3505.4897 5435.3577 3345.7648 3985.4741 2669.6571 3148.5253 4207.9009 4132.1953 3336.4434 5624.7168 4938.0715 1991.4090 2977.8858 2378.2183 2044.4535 2560.8939 2051.4616 2365.5686 1667.1213 1544.8594 2749.2827 3255.0692 2626.7264 1690.4830 1384.9055 2443.1564 1436.9751 2732.6099 2382.0500 3156.7797 2182.7364 3406.4295 2358.1194 1625.8711 1711.0284 1180.9012 6244.9313 3205.4524 3425.7011 3409.3805 3029.2391 2530.3138 2882.7827 1600.0411 1544.5691 2844.3011 1529.7254 3090.9071 2433.1995 4051.0917 3614.6192 2467.6977 2641.1589 3105.6466 2140.4710 3205.3124 3379.9067 2173.7784 pinitol 202.9033 105.8626 171.1397 158.7813 163.6691 211.5621 324.7107 297.0267 161.0317 145.0272 334.3393 239.2563 109.8184 132.7422 388.9962 145.7202 203.7554 823.3819 122.3224 168.6452 115.5874 274.3740 113.1520 125.0341 199.6603 222.5599 188.8204 166.3704 90.6919 690.5038 327.5969 305.4917 393.7787 175.7082 203.2643 287.9688 272.7162 196.8110 145.2028 408.9177 207.5302 169.7653 148.9914 156.6443 198.3233 245.8797 248.7560 208.6872 147.5231 156.7940 115.1087 633.8594 207.1187 151.8944 180.1320 242.9416 105.5280 132.0576 174.4355 117.8985 182.8460 159.3904 138.2430 191.2934 106.6487 197.2380 167.6532 220.4039 177.3980 249.3237 331.3492 103.4923 163.3663 151.7831 45.3043 176.7648 196.3769 92.9266 156.8073 234.1287 232.3398 287.3731 148.9368 140.4958 146.3810 123.0690 206.4228 262.3541 185.2324 161.6576 240.1456 253.9696 164.1005 176.7710 piperidone 153.9267 96.5467 99.2610 1203.3954 109.8601 116.8511 112.2272 130.8738 97.0071 172.0845 96.2959 263.8286 121.4658 151.0183 215.4440 167.7990 139.2329 152.5176 157.3538 139.1129 253.5042 101.8295 124.2453 75.0205 149.7453 95.2062 141.8289 104.8362 115.8842 135.7308 141.8461 114.9375 148.5108 304.5078 2352.3980 225.2064 433.2085 1030.1650 303.8277 2433.4725 223.0597 1353.1537 299.4580 446.6370 451.9926 741.9988 5345.6079 160.9556 120.0989 167.3171 113.0714 164.1925 202.7353 240.2920 128.7944 171.3050 174.0287 104.8396 178.9663 72.5529 151.3510 108.3357 125.0770 228.6971 81.1906 124.3668 167.6532 86.9198 166.6169 189.6264 229.5696 111.1180 82.9594 127.3434 145.2061 203.4005 156.0944 177.1413 135.1787 187.4972 196.3435 106.4665 59.5747 168.8046 144.3337 112.0352 145.3838 213.0225 228.8791 3565.5738 367.1647 1685.1060 295.0992 433.3415 proline 2051.1896 1139.9283 6760.0172 2190.9038 2044.7433 912.6689 1345.2302 811.4177 2517.3330 2315.0234 2124.6723 1906.2908 2361.9268 1178.3273 1419.1947 968.5241 2801.6369 14924.3309 5201.8623 3065.9240 1766.6483 1378.4701 2206.8330 3565.6791 1033.9553 959.4803 1579.7688 3592.5380 1321.3313 2504.5573 2158.0867 1826.9010 1315.2208 1725.2794 1347.9633 6362.3881 13837.3322 693.8994 719.9129 3284.3041 1132.2396 731.2330 550.9732 2148.0346 1603.1901 1068.0946 1795.2774 2807.2872 770.7135 613.4961 956.5231 1167.1669 2455.8362 893.9359 587.2302 919.8558 935.8669 908.2742 963.9259 1324.0908 1242.3031 912.1366 975.2246 580.2922 3606.7898 1382.6093 1378.0011 1343.1183 792.9005 1167.0220 1811.6772 965.2016 1975.7109 1312.0230 1711.1081 1667.1580 499.5022 1028.9685 542.2598 1290.1363 1446.3973 1114.8691 1026.2228 1087.2696 2498.7126 1561.7031 6935.1414 722.0342 1097.5554 2500.0000 505.0995 1963.1485 1571.2798 873.7539 pseudo uridine 4489.5281 5406.6138 6077.1699 3043.3089 3758.7852 2965.5588 4556.4250 6039.5427 6098.8334 3742.5671 7144.3841 3681.9606 5699.7395 4941.2796 5190.3201 4058.0866 4385.8353 4885.8972 6428.5325 6738.0382 2399.7520 6499.1752 5193.8968 7553.5322 4921.3896 4775.1457 8962.5608 4800.4330 5062.3740 5487.4043 4030.2298 4362.5831 4323.6901 3242.2532 3153.5684 6443.6101 3266.5613 7772.3478 3874.1077 3760.3926 2884.2462 5413.4429 4627.5846 4308.1188 3415.7728 7249.9644 4768.7057 3513.2717 4601.5854 5156.3140 4511.6516 4613.9366 5879.3224 3594.4193 4103.4060 3834.1168 4806.1535 5281.2968 4013.1486 4462.9115 3926.3778 6459.0480 4095.5670 5040.9545 6169.1105 3976.8234 5522.8208 4611.9247 4150.7215 3676.6459 4282.6601 4493.7432 3590.2292 3011.2215 4582.7030 5433.7002 4415.9618 4151.6893 5285.8740 3637.2518 4165.7552 4699.2424 5008.1210 4338.5935 3370.8565 4220.8420 4745.5056 3218.8824 3654.6145 3737.4772 2914.4938 4747.1845 3603.1679 3404.1046 putrescine 251.8800 342.9948 242.1626 987.5085 378.9053 490.7748 522.2307 298.1647 244.4578 459.9743 563.9087 322.0261 343.5984 281.8367 426.6134 432.7448 823.5115 413.8241 553.0353 313.9755 386.1670 513.8620 337.9768 375.1024 480.1356 311.5838 438.3025 430.7399 1029.1017 315.6281 319.7166 208.7023 372.4021 1175.8932 1710.5107 1524.7580 1149.9937 1377.6771 1497.1748 2076.4061 1032.0039 1494.7628 3027.7709 1305.3688 1089.3944 1618.2723 997.1411 355.2123 192.9148 323.0589 302.5425 500.2144 512.8654 549.0609 274.7012 392.4441 307.3272 456.6573 278.6437 340.0918 323.6987 357.3832 324.4479 458.4629 331.6430 354.6398 433.7350 369.4093 272.4677 146.3167 418.4273 242.9345 223.3523 291.9894 283.4422 711.9019 312.1889 412.3618 349.1473 456.5995 306.5141 399.8987 500.6199 459.2325 437.0956 1119.5034 777.9699 964.2072 802.6739 685.3370 1038.9769 1147.0758 666.2621 806.0758 quinic acid 974.8690 705.4683 819.7590 3721.6116 1757.7618 661.7464 1785.1609 950.2578 1349.3681 898.3027 1996.7914 629.8261 810.3264 477.1023 438.5825 298.8000 894.8259 1016.4287 1123.8733 413.4529 484.6790 1482.1853 862.3215 512.6399 259.0831 174.3386 3186.8782 3696.6145 411.8926 369.4895 389.5138 1509.3106 1783.2550 2075.9007 2644.8133 1279.8614 722.8187 1068.4026 1314.1461 644.6051 453.1782 2089.3554 2466.4716 306.0588 694.5927 1140.4634 2809.3551 724.8551 2435.0765 620.8623 740.5669 875.6933 1772.0157 388.4513 323.3369 440.2019 901.6166 222.7842 181.2317 391.7858 910.7307 3070.7562 1173.6550 901.9643 1425.6521 919.1485 2009.6751 715.0191 630.2040 408.5162 1091.3037 259.2754 407.1394 306.1387 811.9922 1596.9364 438.0715 208.1169 2258.6432 167.0960 882.4551 302.0880 2387.7937 245.3434 206.7759 1916.4812 1314.0034 1181.7144 1089.0389 841.3024 541.8160 572.9361 2161.4782 1139.4154 ribitol 6269.0138 8677.3442 9975.7317 8557.4781 10233.8055 8551.0431 11958.9323 11243.7689 9481.4693 8452.7036 10702.7095 6898.3413 6929.3724 7792.3508 9406.8673 7165.3121 5642.3270 7074.4720 11100.9052 10509.6299 11968.5497 11488.8219 7235.0694 10638.1977 14085.5613 7605.3654 9648.6368 9004.5154 15665.7740 7023.5328 7866.8284 7107.9757 8300.8549 79722.2197 13270.4251 10905.8962 11709.9042 15219.6763 14351.8911 16182.2977 8918.1513 9803.3253 15508.3827 12489.7691 13580.9944 17930.9101 13362.9613 4695.4626 7918.9634 7849.1727 7870.1784 6036.9383 6110.5501 6467.9627 6258.6849 7351.5789 9546.5834 7282.3226 5550.2196 8305.4956 4816.9867 7432.8239 6230.3402 12114.5348 10310.5199 7522.2493 7941.3533 8116.6564 5299.3981 4428.1285 5942.7987 6950.3228 8087.9071 6890.6936 7656.4246 8397.5367 7307.2336 6950.1351 9675.7062 8104.1546 6546.9658 6328.2670 9025.5719 8501.0431 6913.6850 12827.1838 7809.6639 6637.3333 8664.4065 8080.6011 8925.0792 10144.3384 13666.1200 8989.0585 ribonic acid 12756.0904 11088.4704 18075.7726 12940.6786 11579.0313 11456.3313 13777.0132 10969.5029 12321.8358 8577.1673 23596.3429 8588.6548 10893.6489 9265.9814 10391.7543 6935.6924 7521.9707 7940.5162 25650.9586 14348.0579 11100.3307 16899.9298 11145.8377 15592.4910 6643.4600 11298.6228 9165.0515 13758.6078 10595.8423 10142.1107 15248.4533 20450.8055 8704.7594 12563.5323 22036.9411 13989.8700 11738.8652 19009.6940 16235.8667 20654.4663 14579.3491 20312.2117 17425.3563 19281.7037 14044.0562 32924.3421 26795.7860 9062.3538 14374.0440 14844.9228 11635.1511 12080.2406 8528.0310 7497.6075 12117.4769 8336.8421 14093.5452 10447.6733 8218.8557 18335.9368 5727.7173 8296.3962 9432.4999 8375.2301 33859.2382 8688.1883 7686.0878 11519.9816 7505.6021 5404.3535 9190.6993 7469.9629 10728.5699 9109.5561 9171.2142 10963.0471 12039.4125 8496.9757 20035.8029 8241.1344 9641.5580 9193.3420 16516.6141 19121.0562 13074.9923 16505.6735 12166.7395 7915.4684 7096.3182 10371.1293 12940.0748 16976.2398 15361.3556 8737.5386 ribose 1665.2068 2617.7700 3000.9342 1047.3997 2262.2214 2389.9132 2430.0934 2376.2135 2762.7609 1886.4357 3799.4503 2106.7488 2127.3148 2428.7971 2746.0563 2422.7822 1658.9087 2351.7580 4540.8617 2838.9912 2768.8436 3281.1736 1887.3451 4171.7268 2651.4417 2261.4556 2888.6957 3416.2917 2026.7131 2598.2763 2544.2233 3394.6885 2431.3022 1340.4705 1395.5105 1538.2950 1571.1351 1679.0790 1686.3045 1779.4400 1246.5929 1511.3253 1987.0438 1533.5072 1369.8144 2151.0117 1722.2384 1006.8049 2038.8447 2938.0467 1896.7476 1873.5765 1911.1907 1826.4680 1886.8823 1882.2783 2794.6413 2506.0706 1799.8569 2424.1745 1503.0118 2364.7064 2267.3736 2000.5654 3966.6431 2480.5351 2018.3282 1675.2762 1875.9105 1506.4767 1925.8965 1886.8274 2745.3193 2137.8258 2132.7865 2322.1562 2686.8384 2105.3682 2721.3406 2014.8665 2048.5175 2256.5712 2507.9041 2154.6181 1781.1389 1365.6414 1200.8038 850.9689 892.0964 1068.9891 1349.5784 1429.9328 1386.7548 1131.3345 saccharic acid 202.9033 197.3279 260.1323 321.7411 295.9497 201.7220 263.3599 192.3276 150.3609 150.4386 221.8657 275.4681 113.1462 160.6373 186.3762 211.9566 174.8901 230.3763 295.1819 151.5476 354.6432 249.8595 164.9208 310.3788 198.4719 265.8354 260.5892 297.0358 255.7009 250.9943 251.0450 282.3026 289.1461 418.2014 591.9627 177.2116 298.0571 645.5401 960.2906 549.1517 581.6493 342.0150 469.8392 107.6427 311.7827 201.4121 299.5658 222.0077 261.9480 330.4250 239.3854 164.1925 243.2823 216.6363 180.1320 194.1456 282.3337 199.5985 163.1085 284.7702 167.9734 189.2761 219.1199 213.7356 232.5629 148.6572 282.3063 153.1445 193.0796 202.5023 191.1195 235.3087 333.1141 226.3883 184.7021 297.8365 310.1747 229.4125 246.4115 393.4527 215.9779 228.5135 200.8245 255.8281 236.4615 254.6255 553.7903 443.9838 497.1468 502.0492 411.8199 637.9330 268.3360 526.2726 serine 92032.9945 54273.6291 75939.8085 68029.4441 58349.1704 83189.3980 45900.9320 76201.5713 54145.4563 81420.8571 61678.6679 64891.4838 73522.5627 34665.9091 72511.4472 43770.5189 53190.3505 31730.0681 71679.8023 52150.2398 47815.0915 73964.0645 52105.3677 57776.0633 56541.9056 34570.9666 39506.1822 61313.9660 42264.9659 38417.2164 62574.3835 39067.6525 38809.7032 42037.9831 60432.4984 73120.6987 42067.0826 90626.4079 39431.7050 56656.8968 48618.5364 84190.3412 81698.9213 54725.8819 56513.8357 77461.7059 58612.2092 78317.6521 47670.7603 45984.8502 34463.3544 73203.1271 43391.9195 35476.0593 68577.1375 42685.0467 55719.7220 29380.3009 35609.7556 73861.5938 40105.3945 55759.2542 76521.7431 38632.7128 73306.8677 70685.0478 55850.1469 31467.0475 42081.5530 22515.2132 33615.5454 29861.3319 10875.3443 24485.9517 33294.0049 59109.6506 87983.8857 66418.3173 67900.6548 39565.7999 29316.2702 73319.0881 30705.9700 34434.0477 74553.9685 48329.6169 56355.6537 51662.4461 45098.7732 40072.8598 44930.0435 62117.8234 55589.9223 48566.5727 shikimic acid 661.1851 8041.3218 9414.3936 725.6585 28886.4827 5120.5397 7115.2056 32497.6787 6106.5939 13903.1282 15379.6079 1019.1025 3603.2071 1875.7047 4302.8959 11698.8292 3399.3195 403.1585 2978.2356 1377.9172 1911.1325 697.7208 425.9838 667.8293 667.9114 518.0699 8274.7761 483.9177 7328.4131 569.8541 545.9948 1020.3222 715.5521 7115.7837 2468.8887 6806.6477 5233.4970 5845.8492 680.8668 3527.0621 3700.2493 3770.4460 10503.1566 8866.8685 7835.1536 8765.3508 17354.7014 739.2856 444.4606 699.7855 6006.0279 3787.8828 1908.9990 387.2062 436.8200 1269.7332 351.7601 760.0874 304.6957 3098.9166 733.1338 587.7522 1201.8679 410.3724 4789.5582 1274.7599 1770.6341 370.4440 443.9851 252.8353 202.4283 200.4482 774.7135 281.6991 290.4121 556.9301 279.9629 241.9963 255.6809 799.5348 532.3091 204.2773 370.9008 231.7132 210.8705 5967.5729 4630.0864 2370.1558 7682.8875 820.8106 5788.3019 4050.2727 647.2461 8167.8308 sorbitol 32536.8348 55139.1616 67044.8239 80892.1249 62947.6007 55691.2509 80864.9475 77109.7219 72278.9846 51463.0036 72947.5972 47103.7473 53684.5408 52695.7601 76497.1616 48623.4429 34536.5425 42636.6791 155099.6876 67689.6947 117435.4829 73711.3764 50217.2831 117032.6777 64716.0949 48296.7284 8971.9591 81929.4671 127701.8172 73246.1832 65094.9658 60541.8048 59543.8392 77330.6803 78672.7952 87973.2445 69169.7669 126241.3277 86156.4940 101558.8839 46368.1749 63555.9895 116177.8930 94104.6427 80943.5752 128053.6400 82418.6889 29784.5514 78951.3279 63938.2937 51873.2973 40111.3374 59166.9139 37560.2498 44516.0111 52345.6091 62925.2495 47933.8928 36058.3040 61996.4706 34552.6495 57503.2096 56231.9939 96535.8288 73906.8525 49633.0488 49247.8559 89151.8057 36102.9459 31827.9783 35588.9390 50772.2168 68546.1934 37644.7711 55843.9238 57624.1002 49881.7382 56109.2730 59131.0322 53558.1444 36482.8089 52925.9860 65292.9456 57240.4969 37838.9643 95887.7185 58778.3475 45120.4123 63419.7506 49084.6995 82472.1378 72874.8182 93992.9590 64461.8221 squalene 216.8967 146.5138 188.2536 532.0567 115.4652 316.1131 242.4108 13491.3847 1106.8505 448.0691 139.4364 384.1034 282.0335 468.4452 211.1693 1524.9103 618.0581 130.1199 106.8168 3777.8090 197.0240 336.6032 7167.7698 289.7850 272.1561 204.0132 306.7263 2161.2964 362.7678 492.2936 341.1060 395.2236 292.5213 787.9041 475.4721 566.0926 405.4542 1117.8865 380.6997 1609.7450 256.9421 235.1871 340.0249 284.3696 230.6085 159.5603 297.4487 155.4054 309.2311 654.5362 435.9871 266.0173 322.1847 258.9675 103.5759 378.9474 149.9609 232.8650 333.0132 174.1270 197.7187 89.6571 221.0007 369.7626 248.3882 393.5044 327.7350 211.0910 155.8358 160.3631 375.4537 203.7164 222.0760 436.0547 156.8225 150.1290 438.0715 214.8928 138.2685 239.9576 278.1533 173.9819 322.8566 168.8046 492.3723 320.8281 925.5734 303.8374 426.8862 300.5464 368.1570 217.8601 212.6968 103.0322 stearic acid 392024.4305 213759.4217 164959.8225 498019.0428 213913.3276 338272.9655 363342.3504 369571.7601 397090.6081 241658.5759 227147.3483 427928.6593 272931.9126 413653.4923 202160.0168 313990.2174 605221.4943 460917.9023 240196.4815 381279.7032 342636.5119 294749.3334 284206.6594 199986.2010 360597.2628 1111645.7510 462821.0032 535227.3931 595421.5946 745747.2967 485275.6921 776430.9022 493365.3288 673257.2935 416455.2764 333647.5687 244167.9135 271772.3834 199567.1829 464371.3709 494187.2762 269259.3672 249876.2902 263872.4803 430461.1616 193654.7007 294839.3871 229730.2255 340768.8650 265555.4329 344314.7029 319001.8489 268743.6604 281085.5806 250086.2056 340962.3060 198226.9864 557091.6340 576159.2315 238464.2183 412713.2227 209724.1805 358183.9014 380660.9964 207400.0471 399730.5037 336566.4950 605715.3126 321944.0705 515171.7237 549257.0900 329959.4923 366185.5146 357479.9743 280800.6223 449391.7063 346206.3735 404450.4303 471229.1386 639653.0889 698877.1487 435776.1833 378000.7151 418561.0419 414173.1319 294230.7959 386547.8457 318709.7209 462213.4560 298150.0456 333018.3824 253182.3685 215521.6990 365355.3771 succinic acid 616.8728 459.8671 468.0670 309.2058 499.9756 496.9248 588.0706 815.9699 434.5916 821.4599 446.0425 206.9244 550.7557 476.1404 475.3447 590.2404 998.4015 516.2135 291.7362 606.9675 602.8934 470.4901 432.6398 400.1092 206.7911 710.9551 223.8504 294.7568 602.0938 926.4169 502.0901 350.8618 493.9110 450.7988 558.6797 1156.7978 394.5938 382.3757 318.4700 530.2967 643.7671 275.7651 181.4450 293.2059 328.3865 497.8629 467.8730 432.9150 384.8839 464.0683 453.3043 305.4744 528.2075 319.9743 360.2639 403.8645 338.8005 395.1648 398.7097 352.7886 395.4373 284.5368 199.3709 585.6356 498.8406 544.1048 506.2045 482.1981 410.6617 433.0974 478.3642 433.5781 656.0177 527.3818 272.9874 559.3515 446.1280 259.4201 424.0749 386.6523 163.6196 265.7335 474.6761 121.6232 161.7356 565.2686 795.7267 642.4311 479.0494 97.9053 410.8275 695.7081 238.7557 441.4225 sucrose 2135.1496 669.0515 555.3482 635.1253 465.2239 738.0072 2778.7459 392.6215 958.4297 865.8339 1618.5412 1567.4521 316.1438 615.6159 789.1065 263.4739 446.5639 928.9711 2154.7127 905.3996 2729.4388 566.6625 586.4673 490.5751 476.5702 944.6430 335.7756 760.4421 629.8052 1210.8054 1464.6170 698.6989 1132.9576 682.9562 619.3024 760.5330 815.7353 363.2569 275.7633 774.2331 475.7665 342.8431 499.3425 506.8848 400.3363 278.1405 299.5658 259.7490 829.3445 374.6220 1015.6055 416.2089 414.2374 459.4183 167.5227 330.1514 269.3742 7524.2603 719.2631 373.6475 279.0808 226.6333 671.4661 1362.5646 1446.9819 357.5546 707.3883 459.4334 124.4726 403.8341 573.3585 1.0894 705.7934 1133.2278 170.7623 1036.3742 3293.0890 928.2980 94.2389 571.2351 290.1521 666.4978 385.3140 573.5164 2035.0023 215.5829 509.3983 446.2261 187.3615 264.1166 646.0114 323.7811 86.6282 245.4592 s(-)-willardiine 676.3445 692.7647 824.8932 221.4582 934.9320 803.1978 1042.9649 1033.3342 1201.9174 1108.2674 1617.7708 872.9622 945.9355 968.6332 1293.5191 1161.3458 689.3725 1196.6769 270.4877 1071.7133 759.1990 1055.0670 717.3686 1294.4710 1351.2726 631.8227 1348.2289 1116.7331 2056.9437 657.1097 1026.6954 924.5410 653.6726 293.3770 477.8494 591.9359 488.7171 361.0076 274.5431 247.4718 340.2366 348.6400 396.8187 273.9266 285.9545 386.2579 346.1413 447.3455 591.0380 562.9853 481.8269 538.3987 587.3843 461.9084 519.6807 670.6849 684.0808 599.8037 400.9750 670.2076 557.2867 555.3760 544.5082 505.4847 1146.9894 883.1987 1089.2050 457.3639 569.4378 383.9350 374.3228 491.3159 425.0076 450.2040 430.9716 570.2480 603.2295 843.1153 770.9049 585.8074 616.3005 752.1904 667.8135 727.6423 629.5405 388.7283 304.0853 227.5977 301.2688 235.6557 276.8620 349.0577 369.7543 313.1372 threitol 2544.4546 3479.0679 7342.7478 3572.5800 4819.2715 2954.4887 3116.9239 5166.6712 4713.5727 2786.9029 5170.7037 4209.6177 2633.9768 2807.7857 3468.4778 3023.3260 2171.6931 3779.8777 4250.2741 9277.0429 3560.8800 4783.1591 2030.0793 3449.4709 7412.3900 3802.0645 9510.2254 3380.5867 4624.0296 5887.0563 2388.8681 2724.2199 2412.1758 4484.1363 3621.9084 8120.9669 4817.1823 4443.4302 5110.1615 8257.3084 2311.0675 6844.4402 6819.6759 3822.1200 4436.9071 5405.8664 4129.3498 1564.0442 4107.0048 2745.4741 2444.7875 3700.0590 2374.7421 1619.7920 1873.3724 4521.4131 2417.8877 2984.9055 1594.8386 4153.6547 1882.7016 3100.0193 2146.9987 2479.3332 11273.1103 5050.4588 2862.0023 1869.8111 4160.5225 1356.6484 2163.3823 2354.1767 3577.4663 4707.8474 2326.7818 2818.5504 2273.9434 3976.4840 5669.0091 4062.7636 3636.7184 4498.4275 4399.8822 6896.8749 3805.9048 5583.0884 3190.6755 2381.3676 3375.7013 3771.6302 5680.1371 4424.6070 5740.7001 4095.0267 threonic acid 128294.3885 100185.8080 160452.0034 48088.4587 122387.5251 99372.6652 92125.0783 110355.0885 118171.0809 126339.2386 124767.8778 140568.9007 124211.2252 115025.9091 111196.4731 109216.5485 98043.7087 138510.5465 272465.4862 194537.3443 143282.4012 185936.9423 139445.3680 154314.1767 143713.8460 111615.0115 174569.1546 128077.1337 64298.0703 96736.2379 82679.3763 94365.6869 155900.3612 137155.7375 134565.7241 131754.3505 82427.8787 187758.8254 172309.3274 147616.9178 115959.9669 157060.2350 157467.6896 133462.5176 138395.5262 242420.8470 166586.0797 75497.0444 118165.0438 100347.1321 137588.5656 92501.4738 98181.9437 80954.7389 87190.1729 117172.6024 126149.4951 100366.8175 92328.4688 108172.7768 97478.8026 173070.6085 106226.1242 87376.1889 160453.9828 121736.6556 138760.6013 115193.6072 96900.4794 105857.2035 108933.5921 86791.8832 118965.1112 118003.6103 86392.9535 117609.0995 160297.9044 107666.1106 170016.2011 135199.0982 121728.6235 84599.3473 124212.3558 105524.9121 74407.5876 137845.7567 126399.5829 126714.7650 81604.4651 94143.8980 106700.0463 198240.6896 146375.5266 140082.4406 threonine 28315.5122 29086.8033 25960.1775 15606.5336 23669.2485 20940.9534 24414.6571 22300.9004 21258.1254 37619.4015 43336.2283 30575.6629 30090.2317 25159.4528 35773.1119 25612.8997 34258.0767 18438.6359 59616.9719 40671.4826 26989.6574 33414.2274 30303.2779 30357.5504 31571.2906 25748.9406 29341.4933 26043.4318 23970.3851 18225.6368 23156.9349 21270.4912 23191.3151 36064.7001 40543.5023 31461.2091 24049.7105 43255.6854 34775.4547 44002.8397 26796.8070 33591.1710 31358.2655 43175.9783 31451.3065 43869.4777 32718.2961 22740.2475 17500.3986 20624.2037 18967.4763 18007.7173 30347.8237 36686.2344 22221.9791 24453.0064 33143.2048 20546.5532 19184.5038 22091.4574 25042.0316 28248.2175 23572.7859 24125.4078 34450.2784 19231.1911 26166.8782 32493.5293 24887.6671 21894.8304 17499.3086 29977.8969 28333.8390 21845.1838 20951.4906 23663.4739 22895.5285 24578.1170 25526.3761 27092.8629 24705.4697 30518.6755 26568.4088 21100.5788 33192.6486 30117.1038 25054.8491 33859.3691 35502.8818 20571.4936 24661.5598 38422.8251 23062.1057 27877.2936 threose 427.9628 598.7588 540.8014 174.1023 613.1988 517.8350 398.0325 561.0504 933.2078 654.7869 791.9373 637.5857 647.2628 831.0815 790.8163 406.2502 424.4904 674.0640 1230.6901 724.3197 731.6157 806.1504 763.2211 1340.0716 672.6652 647.8965 632.2493 976.9516 707.9010 549.3868 681.0863 663.4111 663.7984 426.1520 342.3399 195.6711 522.5050 314.8976 364.8372 286.3602 107.2945 322.1400 322.3230 422.5379 238.9104 538.8428 286.8633 299.7104 671.4192 246.2403 356.5315 320.7481 484.3729 438.2527 580.0249 412.1702 599.8435 483.8753 400.9750 500.6152 543.2889 519.8867 555.7934 455.2569 624.0668 487.7511 678.1842 421.1473 646.8657 387.4466 458.0083 408.5221 239.9442 446.3451 478.5991 498.8156 571.0035 513.0323 668.1691 345.8498 484.3140 514.1555 468.9108 536.8197 460.6394 465.9647 334.0499 227.5977 185.2324 184.4262 144.8812 290.0790 230.3041 212.1252 thymine 335.8400 188.8588 72.7344 186.6377 174.8794 141.4514 158.6145 165.0148 169.7623 151.5209 164.8585 159.0731 97.3390 216.4275 161.5830 323.8227 149.4206 137.5858 84.9940 144.5531 214.0994 176.3159 153.8275 165.4863 147.3683 98.9155 176.0045 142.8203 130.9995 124.9586 149.7264 169.3815 209.2653 106.5380 189.0001 332.2717 285.9900 356.5091 192.7902 166.1596 175.0595 248.4370 309.0465 287.5828 205.7028 406.3119 215.9414 165.3957 297.8831 325.1635 172.1538 178.1934 275.0624 122.0135 156.7148 113.1651 171.2516 467.7461 160.8431 143.2920 169.7231 134.4857 165.5155 169.9198 456.8692 242.9039 142.7756 108.6498 170.5373 135.7819 123.2664 105.6711 121.2484 204.5212 167.2774 113.8074 124.8755 164.5575 988.7357 110.7497 217.0687 279.5829 220.0422 443.5053 148.4282 181.6329 214.1914 136.7829 232.0728 168.4882 250.0689 209.4346 137.3373 253.5401 tocopherol alpha- 96.7872 71.1397 73.5901 130.9250 108.7391 134.0713 203.5054 114.9414 125.1391 175.3314 72.4145 117.6882 84.8596 114.4661 97.4628 251.6985 120.5553 129.0534 55.7055 106.4719 115.5874 82.9722 65.8204 108.1177 133.1069 114.9893 99.9637 106.3555 149.8936 157.2754 95.6898 142.1595 101.2574 72.3504 128.3775 110.7572 97.7434 143.9532 106.1567 100.1671 173.6477 80.3280 59.0065 101.2163 78.4069 98.5263 105.8536 222.0077 107.8053 109.4401 113.0714 124.7354 145.7502 126.9937 79.2581 80.9805 112.0078 129.0334 159.7104 135.1298 67.3643 47.9417 127.8983 116.4859 77.7503 127.2817 94.1021 113.8236 139.1741 194.3086 119.8738 98.0453 104.6565 151.7831 139.3978 107.7539 118.8332 91.9586 106.5981 70.9186 90.5362 59.7251 100.8927 145.7382 101.3407 98.4552 327.3911 119.9653 106.4554 76.2750 106.1801 122.7720 61.9779 158.5889 tocopherol gamma- 125.9400 60.9768 85.5698 144.8531 135.6436 123.0012 119.7090 153.6345 149.3909 178.5782 91.6737 148.7269 123.9616 111.5804 99.1726 153.0798 305.6331 345.5644 90.7368 244.0305 216.7264 103.7153 95.4026 96.3498 187.7758 127.3537 105.9445 82.8054 222.9510 166.9705 146.3491 157.2829 86.6313 111.3083 193.7549 185.8260 119.4642 131.5822 162.2855 147.3046 1078.5923 110.9685 58.2689 107.6427 156.8138 90.6790 103.7365 112.1139 82.2725 143.1140 110.0154 123.4626 98.6280 170.5699 99.9732 102.7830 136.0756 149.1949 138.1891 120.6192 97.9845 70.9785 129.7792 119.6919 103.2084 119.5087 146.0205 145.9011 85.2687 175.5800 84.8163 117.6544 164.6426 133.7749 176.5706 117.4396 107.7555 100.6705 54.8439 102.9777 145.0761 94.3484 162.3892 117.4293 112.6007 140.0440 138.7250 158.0851 113.9073 134.3352 66.4866 98.6991 106.3484 130.3055 trans-4-hydroxyproline 223.8934 210.8783 305.4843 586.3767 365.4530 520.2951 442.9234 146.8063 313.3328 560.6275 269.6285 300.0403 292.0170 393.4170 266.7402 353.2611 570.5152 216.5111 575.4323 287.5518 671.1950 181.0303 166.3999 768.5921 480.1356 184.2301 227.2680 522.6615 620.9879 229.4498 529.1084 308.5164 459.0335 262.3697 659.7175 164.9052 254.6156 265.4137 323.3507 775.4116 330.3542 225.2496 129.0767 426.5544 285.9545 387.1298 531.3852 253.0888 143.7404 322.0065 207.8069 194.7399 245.4740 308.7690 139.6023 292.7758 244.3807 327.6239 232.2031 362.7646 323.6987 398.4761 224.7625 162.4391 419.7142 137.9694 692.2455 235.9252 170.5373 216.5487 356.2287 306.1192 454.3625 398.7521 328.7465 468.5477 329.3089 381.3862 349.9198 247.7295 349.0552 271.7926 248.8686 265.2644 351.1096 517.7385 332.9401 282.5351 273.5904 437.1585 393.9578 595.8054 270.4489 449.5034 tryptophan 3033.0552 3921.9970 4360.6389 3860.8935 4254.2767 2938.4985 4668.6522 4852.5740 5407.1731 5473.1527 7188.2950 4090.6362 5982.6050 4467.0630 4723.5247 3768.1181 2728.6246 3898.2655 10051.6887 8618.7825 2042.4819 4751.1017 7212.1432 7510.1380 3389.4719 2014.1668 4559.0300 5760.6716 4034.5320 982.4328 3228.6869 4174.0453 4518.3293 7021.9667 4414.7580 3572.5363 4091.9502 3905.8550 3512.9310 7352.2688 4641.8999 5603.9113 3660.6156 6412.7751 5646.2179 8755.7597 6811.6806 3350.0960 2572.1973 3466.3058 3439.0011 3626.2360 2845.9646 4762.2632 4520.4115 4534.9099 5599.4650 4453.6685 2863.4602 3336.5274 4949.9656 4743.1104 4305.2826 5003.5508 3827.6558 3151.9216 4100.4727 5033.0720 3812.5871 4759.3895 5446.3403 3320.4677 2126.3142 3755.9876 4380.5761 5493.0254 4483.4349 2838.1332 3088.2543 2784.2852 3576.7246 2607.9973 3032.5460 3004.9321 4134.4942 4360.8860 7272.5207 2811.8973 7241.0975 4806.4663 7230.1676 3834.8199 6099.1857 4686.9571 tyrosine 26810.0627 24377.1888 31807.1645 48857.2946 35704.5356 21159.8955 33919.5542 30543.6756 30453.4239 35058.6977 45996.3057 43974.0161 57226.1830 31210.7648 34790.7898 31515.3035 26308.2197 27977.9209 48245.0048 40436.7782 37022.1182 32666.5347 40784.9950 43057.3401 33755.6698 13811.0764 35499.9431 36590.1025 30544.2916 31353.8261 26889.9634 39733.0800 24170.1364 54122.0945 54741.0979 60080.8797 47002.5225 60472.7124 57985.9353 64373.3026 47950.7691 35843.6668 39698.8340 43944.7402 50624.0952 58610.9266 32598.6816 34854.0970 25225.5015 28876.4107 40970.5638 25042.5386 29007.5793 30249.3977 21146.5913 18220.6200 33531.9923 36323.9108 29189.6241 19660.9345 32672.5724 31089.2273 37532.5095 27724.7156 28078.8793 23408.1673 37208.1932 33123.6980 23472.4034 32456.5549 25570.4322 15594.6505 30249.5639 31937.4709 31858.2075 31576.7235 30434.3861 36608.2394 26061.6838 40549.9174 30965.5558 28011.9512 28006.8503 20226.1499 24901.1401 45888.6071 55040.5405 35128.5349 45714.0855 49842.8962 49442.2000 52052.9257 46877.1017 32042.0186 uracil 164.4217 145.6669 195.0992 242.3505 302.6758 175.8917 381.5725 269.7139 402.5793 160.1793 177.9548 430.6614 123.9616 241.4369 231.6878 275.2493 264.8820 185.5809 124.6196 181.8571 216.7264 268.7168 157.5253 340.5341 117.6570 154.5555 131.5762 183.8431 128.4803 252.0716 294.9498 280.2861 326.2738 104.1528 212.7737 289.1995 363.2194 348.6366 435.6083 227.4384 443.2958 282.3901 376.1664 127.7253 144.8221 296.4507 306.9755 127.6544 135.2295 31.5693 161.9672 235.4699 304.6508 347.3651 294.5158 304.1961 306.4015 203.6308 133.6583 274.7942 368.3166 347.4213 467.3931 629.4514 350.2205 348.8101 282.3063 307.3237 356.7562 347.6485 370.9302 311.5662 142.9455 473.3573 357.7877 421.3297 443.1068 99.7025 169.9390 247.7295 258.5190 181.7721 152.7804 211.7921 286.6200 195.2129 289.6578 290.3833 189.4906 281.1931 243.1226 548.8631 276.0832 211.1151 urea 839204.7548 899167.1397 786499.7644 898817.9470 309574.5785 776815.2748 483896.8274 201526.3498 758249.8041 647887.2871 113086.0318 554619.4009 720578.1864 866762.1930 774736.7018 466806.5420 247834.5004 784438.7436 566590.6589 335797.5567 47235.8410 196049.1800 448914.4965 337511.9720 611884.0571 629960.6594 500312.5315 729716.7213 342797.9202 443229.0876 839806.4517 464897.9060 372248.0024 581086.8252 405557.4568 1117351.0260 787376.4192 1104525.8640 868041.7156 263742.4621 259368.9785 1225724.5480 1713189.4860 418914.9540 393882.0451 415438.2168 445681.8575 920887.8901 433322.5777 566482.1277 517148.9549 833710.9783 425406.5057 649420.8027 745679.6623 451840.2292 376928.5114 311214.4535 604006.6087 784944.6053 493911.7303 671928.4010 656011.0887 613234.2020 632573.9623 868020.1599 236579.2106 380887.8630 755125.5162 318293.8297 353609.5270 663295.0114 221879.4856 421371.6379 446699.1159 377220.8352 392177.6944 686309.3833 87468.3532 378420.8837 381078.7883 822407.2409 373353.8859 549212.6806 715518.2826 118842.2071 305110.7077 828154.2015 348103.8936 282259.7906 194197.3789 286547.4682 432624.5379 885073.2620 uric acid 3716.3964 8255.5877 5797.3565 1466.6381 4320.4170 2084.8702 2659.0369 4824.1231 5881.5376 3599.7045 7254.5466 2629.2328 6330.3631 6006.1027 3226.5307 1669.1586 2857.6697 2875.4374 7228.5097 4802.1151 1167.6954 5524.2518 9100.2278 7046.7763 2356.7050 2183.5596 4767.5014 4163.0595 2966.3824 2742.6249 3255.7052 2391.5061 6736.9910 7096.7023 4387.4184 4671.4942 2417.0381 6759.0523 6479.2163 7168.4326 2556.7155 7871.3133 9096.5892 7639.4201 5660.9769 6665.7820 11049.0011 5464.7192 5722.1934 6139.1706 2917.4464 2579.9861 5414.6751 2603.3705 6153.3077 2424.2249 4470.1300 5578.6785 2871.3891 4508.2571 9065.3134 13528.8851 3113.7594 4710.7330 2262.3283 2342.5656 6533.0665 4580.8819 4385.9454 6303.3233 6606.6280 3715.9171 2708.3066 2865.8700 5061.3021 4256.8828 5653.6396 2330.9088 4860.2541 1938.1190 4640.2520 4292.4191 3917.5191 3359.3170 4214.3383 7059.9163 7314.6931 3032.7680 4296.5407 11364.9818 3879.0454 5044.4853 7783.1526 2494.9966 uridine 164.4217 102.4750 124.0763 114.2111 112.1022 88.5609 113.7236 121.7696 119.3187 83.3365 32.3554 103.4622 101.4988 128.8946 128.2405 147.1921 137.5349 76.7921 51.6855 75.3852 132.6628 134.8298 82.0906 94.1433 131.9184 119.9350 69.2057 74.4489 125.9610 117.4180 70.9230 82.6743 72.0052 76.3257 131.9435 152.5989 100.1568 106.8403 135.4412 68.3493 118.5887 128.3591 74.4957 61.8544 64.5704 109.8612 59.2780 124.3243 143.7404 90.4986 150.7619 123.4626 168.7634 93.3777 181.9333 96.5537 105.5280 141.1303 147.2507 99.7603 88.3610 151.2964 94.9833 111.1425 74.9981 88.4170 74.6327 70.3637 143.0945 86.6195 99.5178 89.3302 116.1432 86.1819 130.1046 138.0218 115.8120 87.1187 295.8483 93.2629 92.7178 77.9023 113.3842 89.1205 95.1988 61.1101 105.4310 123.3288 78.7770 64.8907 104.1954 87.8662 69.0208 80.8096 valine 36177.4340 42966.6583 39848.1622 52410.3752 51096.1612 34457.5547 56372.4795 33650.5065 44746.4430 51103.6825 58070.2686 46839.9187 69787.0744 41250.1136 45053.4486 24701.7806 68456.7248 35857.6434 58170.3510 45844.3064 43720.9333 35351.8170 57595.8262 47205.5311 31253.9733 26119.8737 34611.3765 42630.3372 48481.1430 46610.6199 44571.1894 45470.8799 53523.5255 42034.0078 44626.6186 26613.7340 33909.7298 19921.7725 43465.6577 74428.9060 32127.6506 28543.7587 28562.0951 69966.9669 42135.8584 40735.8190 44482.8677 77454.0422 24172.9811 19536.1162 49100.5009 29671.7490 37142.1943 34594.5738 25606.6587 28623.5039 36947.7677 39873.3375 35618.8172 36268.2980 36710.9325 28362.1567 29789.0196 31148.7601 30676.9790 36372.4366 46730.8947 33214.7569 30775.1249 44747.1574 42592.5075 29438.6477 28086.2370 40825.7839 48354.7765 32810.4447 13863.1997 38564.5378 19566.9259 30714.5709 41766.6314 32377.0792 37269.7603 27168.1092 61012.1950 41443.6947 39013.9159 21791.0827 49269.6965 41068.9891 43709.4690 38804.3813 46131.2544 44116.9939 xanthine 649.5239 610.6154 433.8391 271.5996 393.4786 289.0528 568.6179 802.3135 693.6004 204.5533 778.8411 293.5740 461.7363 495.3784 601.8754 362.0926 256.3922 374.3615 508.2411 523.8106 157.6192 750.5213 525.0843 611.9317 282.8521 343.7314 647.6283 710.3030 265.7778 453.5134 149.7264 273.2286 345.4002 387.1940 387.5097 692.8481 173.7661 682.6530 119.5788 240.4012 280.9422 600.3895 192.5087 322.9282 309.9378 817.8553 563.1413 346.3320 447.2976 688.2101 286.2439 301.6560 408.7581 339.8949 451.2306 522.2206 504.4980 507.0609 329.6151 344.6264 508.2945 612.0343 456.1079 304.5733 59.1728 283.7118 432.6534 241.0990 516.5124 249.3237 650.2587 368.2146 114.8669 266.2635 281.1189 365.6367 441.0927 267.1640 797.1682 331.2775 327.2392 435.3875 650.5176 480.2020 279.4545 359.8707 595.9627 211.9014 231.0083 360.8834 299.6858 525.9938 306.3679 325.2587 xylitol 904.9023 699.5399 853.9870 749.3365 1187.1618 816.7279 1177.6376 1370.1921 849.7818 857.1756 1228.7355 809.5916 738.7781 720.4630 953.2543 896.4000 786.1563 920.4386 1966.3476 1164.9734 1410.6917 1029.6096 674.4744 1203.2696 1453.4797 1603.6675 1171.3700 790.8294 1840.2907 1006.1318 810.5490 797.5048 1185.8364 1208.4906 1193.4349 1288.4759 1052.2503 1610.4764 1918.1409 2013.9489 824.4737 1430.1692 1657.3450 1212.1856 1195.4743 1605.1936 1499.9458 589.4304 837.8555 791.3364 799.6492 896.0583 691.4916 739.5515 651.1770 934.3908 1273.7418 592.7472 1121.3709 750.9227 640.3985 826.2152 642.3128 1547.4459 1038.9646 1773.1988 965.8987 1542.8270 1000.6816 571.2204 712.4573 644.9202 3729.3458 792.3590 677.2410 841.4487 752.2745 1088.9836 1033.5378 765.5327 871.5471 1614.3097 887.8557 1649.2527 1209.9461 1280.7663 842.3383 845.3631 1000.6809 1527.7778 1347.5937 1733.2519 2555.1785 1133.3547 xylose 10314.2536 10375.3800 11933.5696 9499.0236 8835.8917 11715.8638 10229.1368 9478.6793 12292.7337 8008.9637 15711.6361 9406.0061 10796.3099 9161.1343 12644.5122 10421.2017 8099.2777 13439.6837 17534.0319 13068.0637 12098.5855 14421.1351 9127.5914 14400.9894 12893.5416 11461.8333 13138.8237 13512.4707 10855.3221 12521.7094 12981.1675 14582.9447 11255.3202 9481.8812 10290.4040 12847.8397 10643.1734 14520.1538 13213.4526 18413.0790 7576.9698 15383.2210 14247.8564 9937.6726 9683.7111 15326.5032 11871.4837 6339.4295 11407.5061 13496.9150 9222.9608 7873.6033 9269.9325 7442.8260 8773.3271 10072.7325 11751.5637 10667.4333 8060.2780 9815.5032 6979.6439 11983.5451 11531.5368 9220.5545 16893.8402 13922.2825 9207.9462 7946.9558 12732.4729 7127.3789 9750.4872 8861.1168 15194.3402 11989.5753 9605.6707 11084.1189 10425.0940 11040.8413 12516.0041 11659.8014 8809.2796 20429.4566 10914.6675 8983.3421 8758.2897 9738.5765 6754.2440 6281.9220 5170.5396 9244.0801 8947.9030 19426.8654 38915.0585 8630.4658 xylulose NIST 726.4873 1078.1045 642.6295 671.3386 1645.6596 1952.0290 1553.2247 1646.7342 1675.3118 1598.5459 824.2927 1625.6496 1969.2429 763.7485 1921.0425 1838.4295 1667.3985 1220.1411 1130.7647 847.1121 2338.0178 2180.8490 740.2948 1066.4675 1069.6089 837.0724 2253.8833 781.7132 1598.4455 2637.0565 2037.6301 990.0755 605.2941 1105.1329 1378.8690 1273.7083 1094.4851 829.9801 1840.0486 1345.7751 965.6507 690.6549 1615.3029 1208.1691 1230.5268 1768.2415 1290.3557 280.8397 610.8969 926.0319 742.6042 558.7636 447.1134 607.5776 334.1448 855.4867 661.8644 316.5351 668.2917 654.7901 511.7939 719.7474 833.2198 701.0528 1056.1660 712.1944 982.1232 539.1099 220.5224 537.2749 577.8820 761.4852 950.8428 644.4349 561.0762 593.2516 671.7096 476.2488 893.7244 1145.3846 534.4907 767.7709 691.8356 630.1341 375.6770 1162.7898 924.4636 733.2459 968.7443 704.6903 893.1033 1480.4860 1309.9868 1146.4863 maltose 416 412 347 273 209 261 251 3276 307 192 253 322 288 200 266 280 309 172 229 483 227 456 2009 252 497 148 201 249 327 450 335 487 251 240 391 401 261 385 303 399 311 197 198 384 208 391 675 184 170 141 243 291 190 181 178 603 161 236 135 344 221 501 725 767 422 150 289 236 176 123 287 123 273 223 224 239 210 232 260 304 158 216 287 182 261 250 277 283 252 158 261 413 282 346 isothreonic acid 21930 29441 33714 27359 31927 25107 31641 32739 32036 21886 41161 27553 29066 26547 34406 25516 18452 21384 42441 31208 21170 43485 19817 45876 33727 27586 33898 30961 24065 25545 25205 39505 21069 26196 38663 38764 35609 51645 31823 35165 28274 37786 50802 39176 35967 64364 50698 15950 23827 27465 19768 23095 27645 21873 21873 23895 28486 27210 18632 32133 18561 32136 22288 23898 50255 28089 24716 21223 19647 11107 22739 30892 25037 23065 21164 28202 29698 22771 36769 30069 23328 20938 27399 26377 22867 33951 28222 18554 16421 19028 35032 32347 38984 27169 fucose 3181 3310 4017 2387 3485 2641 3361 3540 3584 2763 4795 3231 3423 3110 4518 3304 2542 2633 5356 4926 3608 4865 2423 5146 4527 3296 4738 3294 3252 3784 4038 4117 3208 2937 3412 3478 3705 4157 4046 3455 2517 3076 5010 3302 3672 5353 4248 2454 2760 4057 2826 2538 3011 3266 2680 3752 4009 3710 2836 3823 2160 4083 2849 3418 5390 3710 3258 2717 2195 1683 3351 3283 3292 3130 2982 3386 4782 3312 4316 5313 3106 2767 3204 3266 2592 3001 2495 1848 1884 2745 2768 3134 4690 3233 elaidic acid 285 30 136 333 101 171 217 1027 164 203 194 75 62 187 119 228 384 240 132 577 175 204 938 243 267 425 184 326 259 331 98 402 219 430 430 274 297 290 194 469 424 272 108 158 351 195 256 71 78 121 168 271 127 182 113 167 113 263 87 257 194 116 145 166 125 187 154 316 200 295 435 187 262 189 154 211 175 193 185 282 315 128 207 185 149 205 695 315 284 171 243 276 122 231 3,6-anhydro-D-glucose 227 345 342 149 328 294 464 320 311 448 418 481 364 260 452 458 413 336 677 514 483 625 274 535 435 215 461 436 558 597 474 435 241 80 141 112 106 93 193 95 164 108 82 102 99 117 128 191 149 157 241 271 185 212 147 252 261 170 233 180 131 108 232 92 216 145 273 154 266 180 207 200 226 230 206 306 229 268 226 249 194 249 328 212 144 59 174 124 82 108 101 88 76 88 3,6-anhydro-D-galactose 227 345 276 149 370 362 464 320 311 448 512 481 364 317 559 458 413 420 776 550 565 520 481 535 537 323 388 351 660 597 424 486 307 87 141 116 130 147 278 92 196 108 109 96 89 140 140 191 149 157 241 271 185 212 147 252 192 170 233 180 131 108 232 92 216 145 273 195 266 180 207 200 226 230 206 306 229 268 226 249 194 249 328 212 227 89 123 124 170 138 101 75 82 88 2,3-dihydroxypyridine 82 70 106 242 240 137 223 209 167 135 47 58 90 95 106 230 177 93 46 99 99 105 87 127 115 179 129 125 135 40 136 131 173 77 121 172 1490 211 284 156 275 103 80 92 109 122 125 89 89 134 119 36 110 152 224 77 175 46 106 106 171 89 160 236 136 262 213 89 74 78 107 123 88 178 50 212 139 71 73 157 136 74 60 101 154 126 193 159 106 138 154 95 119 111 2,3-dihydroxybutanoic acid NIST 367 339 331 272 344 112 190 338 255 420 444 327 314 376 326 349 367 219 592 374 200 366 196 427 334 244 383 222 296 205 268 161 231 516 670 378 433 674 226 529 281 435 462 522 494 718 484 210 125 147 180 347 254 395 168 379 314 256 202 391 261 309 305 263 369 277 210 194 248 188 78 383 172 129 207 277 171 278 365 225 197 335 319 258 292 250 282 538 344 383 397 492 301 450 1,5-anhydroglucitol 96630 345556 151231 141510 205089 144417 100515 185925 174896 313959 360378 136636 151882 100576 281221 198378 121459 157116 262729 143840 302524 137980 289900 342532 210857 159227 254879 148922 199770 99239 203630 178931 152086 312493 277797 229250 221777 161433 429229 310508 229678 137214 552741 142158 294995 353082 325919 85879 136907 112153 106965 101200 137142 100956 135572 164196 151241 153489 76164 158947 140571 189203 91708 113778 213656 148841 138531 125501 101201 130424 128169 170074 130884 150215 160277 50596 254337 131448 185908 160183 116392 168500 122987 123722 141085 528467 247532 116244 110484 175743 144897 270246 180147 202762 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1,5-anhydroglucitol 217 633969 Fiehn 64960 MPCAJMNYNOGXPB-SLPGGIOYSA-N C07326 17 BinBase 1-deoxyerythritol 117 357129 Fiehn 17781 BinBase 1-hexadecanol 299 679596 Fiehn 2682 C00823 16713 BinBase 1-monoolein 129 952623 Fiehn 5283468 0 7508 BinBase 1-monopalmitin 129 901749 Fiehn 14900 QHZLMUACJMDIAE-UHFFFAOYSA-N C01885 2070 BinBase 1-monostearin 129 959214 Fiehn 24699 VBICKXHEKHSIBG-UHFFFAOYSA-N D01947 648 BinBase 2,3-dihydroxybutanoic acid NIST 292 384796 Fiehn 250402 0 31743 BinBase 2,3-dihydroxypyridine 240 373895 Fiehn 28115 0 18043 BinBase 2-deoxyerythritol 117 354388 Fiehn 18302 0 34100 BinBase 2-deoxytetronic acid 189 433456 Fiehn 150929 0 1208 BinBase 2-hydroxybutanoic acid 131 258161 Fiehn 11266 C05984 40 BinBase 2-hydroxyglutaric acid 247 506306 Fiehn 43 HWXBTNAVRSUOJR-UHFFFAOYSA-N C02630 2000 BinBase 2-hydroxyvaleric acid 131 309587 Fiehn 98009 JRHWHSJDIILJAT-UHFFFAOYSA-N 25922 BinBase 2-ketoglucose dimethylacetal NIST 234 456913 Fiehn 159630 0 3279 BinBase 2-ketoisocaproic acid 89 310761 Fiehn 70 C00233 208 BinBase 3,6-anhydro-D-galactose 231 590619 Fiehn 16069996 C06474 88056 BinBase 3,6-anhydro-D-glucose 231 587617 Fiehn 16069993 C06478 16782 BinBase 3-hydroxy-3-methylglutaric acid 247 521554 Fiehn 1662 C03761 32000 BinBase 3-hydroxybutyric acid 191 278829 Fiehn 441 WHBMMWSBFZVSSR-GSVOUGTGSA-N C01089 46 BinBase 5-aminovaleric acid 174 540425 Fiehn 138 C00431 1676 BinBase acetoacetate 89 252451 Fiehn 96 WDJHALXBUFZDSR-UHFFFAOYSA-N C00164 87705 BinBase acetophenone NIST 105 238615 Fiehn 7410 C07113 3524 BinBase aconitic acid 229 586815 Fiehn 643757 GTZCVFVGUGFEME-IWQZZHSRSA-N C00417 29 BinBase adipic acid 111 474435 Fiehn 196 WNLRTRBMVRJNCN-UHFFFAOYSA-N C06104 125 BinBase alanine 116 243971 Fiehn 5950 QNAYBMKLOCPYGJ-REOHCLBHSA-N C00041 34178 BinBase alpha-ketoglutarate 198 507392 Fiehn 51 KPGXRSRHYNQIFN-UHFFFAOYSA-N C00026 294 BinBase aminomalonate 218 455754 Fiehn 100714 JINBYESILADKFW-UHFFFAOYSA-N C00872 413 BinBase arachidic acid 117 856421 Fiehn 10467 VKOBVWXKNCXXDE-UHFFFAOYSA-N C06425 291 BinBase ascorbic acid 332 672898 Fiehn 54670067 C00072 238 BinBase asparagine 188 553078 Fiehn 6267 DCXYFEDJOCDNAF-REOHCLBHSA-N C00152 146 BinBase aspartic acid 232 480387 Fiehn 5960 CKLJMWTZIZZHCS-REOHCLBHSA-N C00049 79 BinBase azelaic acid 317 610651 Fiehn 2266 BDJRBEYXGGNYIS-UHFFFAOYSA-N C08261 16968 BinBase behenic acid 117 920648 Fiehn 8215 UKMSUNONTOPOIO-UHFFFAOYSA-N C08281 46315 BinBase benzoic acid 179 339214 Fiehn 243 C00180 34148 BinBase beta-alanine 248 435564 Fiehn 239 UCMIRNVEIXFBKS-UHFFFAOYSA-N C00099 148 BinBase butyrolactam NIST 142 277199 Fiehn 12025 HNJBEVLQSNELDL-UHFFFAOYSA-N 2047 BinBase capric acid 229 451790 Fiehn 2969 GHVNFZFCNZKVNT-UHFFFAOYSA-N C01571 726 BinBase caprylic acid 201 343457 Fiehn 379 WWZKQHOCKIZLMA-UHFFFAOYSA-N C06423 6866 BinBase cerotinic acid 145 1033286 Fiehn 10469 0 17982 BinBase cholesterol 329 1078536 Fiehn 5997 C00187 19 BinBase citramalic acid 247 456203 Fiehn 1081 C00815 16826 BinBase citric acid 273 617342 Fiehn 311 KRKNYBCHXYNGOX-UHFFFAOYSA-N C00158 288 BinBase citrulline 157 621404 Fiehn 9750 C00327 1712 BinBase conduritol-beta-epoxide 318 675635 Fiehn 9989541 0 2670 BinBase creatinine 115 502599 Fiehn 588 C00791 31 BinBase cystine 218 804619 Fiehn 595 LEVWYRKDKASIDU-UHFFFAOYSA-N C01420 94 BinBase dehydroabietic acid 239 850374 Fiehn 15618 C12078 8917 BinBase deoxypentitol 231 528774 Fiehn 270738 0 33037 BinBase dodecanol 243 507619 Fiehn 8193 LQZZUXJYWNFBMV-UHFFFAOYSA-N C02277 12092 BinBase epsilon-caprolactam 170 353069 Fiehn 7768 C06593 3101 BinBase erythritol 217 471922 Fiehn 222285 UNXHWFMMPAWVPI-ZXZARUISSA-N C00503 92 BinBase erythronic acid 217 512029 Fiehn 2781043 0 3171 BinBase erythronic acid lactone 247 407495 Fiehn 5325915 C02341 3187 BinBase ethanolamine 174 343800 Fiehn 700 C00189 45341 BinBase fructose 307 641863 Fiehn 439709 C02336 50366 BinBase fucose 1 160 578299 Fiehn 439650 SHZGCJCMOBCMKK-FPRJBGLDSA-N C02095 3009 BinBase fumaric acid 245 390016 Fiehn 444972 VZCYOOQTPOCHFL-OWOJBTEDSA-N C00122 14755 BinBase galactonic acid 292 690882 Fiehn 128869 C00880 4706 BinBase galactose 319 648756 Fiehn 439357 WQZGKKKJIJFFOK-PHYPRBDBSA-N C00984 16668 BinBase glucoheptulose 217 828606 Fiehn 439645 HSNZZMHEPUFJNZ-SHUUEZRQSA-N C02076 3191 BinBase gluconic acid 333 693148 Fiehn 6857417 RGHNJXZEOKUKBD-QTBDOELSSA-N C00800 7501 BinBase glucose 319 659798 Fiehn 64689 C00221 22 BinBase glucose-1-phosphate 217 594647 Fiehn 65533 C00103 3167 BinBase glutamic acid 246 529100 Fiehn 33032 C00025 28 BinBase glutamine 156 600315 Fiehn 5961 ZDXPYRJPNDTMRX-VKHMYHEASA-N C00064 18 BinBase glutaric acid 261 421260 Fiehn 743 JFCQEDHGNNZCLN-UHFFFAOYSA-N C00489 1727 BinBase glyceric acid 189 377495 Fiehn 439194 C00258 48 BinBase glycerol 205 344466 Fiehn 753 C00116 30 BinBase glycerol-3-galactoside 204 805227 Fiehn 16048618 C05401 1693 BinBase glycerol-alpha-phosphate 357 590747 Fiehn 754 C03189 1687 BinBase glycine 248 368707 Fiehn 750 DHMQDGOQFOQNFH-UHFFFAOYSA-N C00037 6 BinBase glycolic acid 177 227636 Fiehn 757 AEMRFAOFKBGASW-UHFFFAOYSA-N C00160 1971 BinBase heptadecanoic acid 117 751309 Fiehn 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N 727 BinBase hexitol 217 704741 Fiehn 6251 C00392 255 BinBase hexuronic acid 160 667373 Fiehn 152867 IAJILQKETJEXLJ-UHFFFAOYSA-N 4554 BinBase hydroxylamine 146 253158 Fiehn 787 AVXURJPOCDRRFD-UHFFFAOYSA-N C00192 4211 BinBase hypoxanthine 265 619128 Fiehn 790 C00262 1663 BinBase inosine 230 897184 Fiehn 6021 C00294 1728 BinBase inositol-4-monophosphate 315 845976 Fiehn 440043 C03546 4759 BinBase isocitric acid 245 617338 Fiehn 5318532 ODBLHEXUDAPZAU-ZAFYKAAXSA-N C00451 32122 BinBase isoleucine 158 359251 Fiehn 6306 AGPKZVBTJJNPAG-WHFBIAKZSA-N C00407 15 BinBase isothreonic acid 1 292 489385 Fiehn 5280363 PXGPLTODNUVGFL-YNNPMVKQSA-N C00639 1679 BinBase itaconic acid 147 386511 Fiehn 811 C00490 101725 BinBase lactamide 232 265698 Fiehn 94220 SXQFCVDSOLSHOQ-UHFFFAOYSA-N 415 BinBase lactic acid 191 217657 Fiehn 612 JVTAAEKCZFNVCJ-UHFFFAOYSA-N C01432 80 BinBase lactulose 204 929908 Fiehn 3278275 C07064 6432 BinBase lauric acid 117 547906 Fiehn 3893 POULHZVOKOAJMA-UHFFFAOYSA-N C02679 49 BinBase leucine 158 345845 Fiehn 6106 ROHFNLRQFUQHCH-YFKPBYRVSA-N C00123 1794 BinBase linoleic acid 150 777414 Fiehn 5280450 OYHQOLUKZRVURQ-HZJYTTRNSA-N C01595 165 BinBase lysine 156 663483 Fiehn 5962 KDXKERNSBIXSRK-YFKPBYRVSA-N C00047 12 BinBase lyxitol 217 573587 Fiehn 439255 HEBKCHPVOIAQTA-IMJSIDKUSA-N C00532 233 BinBase lyxose 217 541086 Fiehn 65550 C00476 85112 BinBase malic acid 233 463180 Fiehn 525 BJEPYKJPYRNKOW-UHFFFAOYSA-N C00711 1391 BinBase malonic acid 233 305372 Fiehn 867 OFOBLEOULBTSOW-UHFFFAOYSA-N C00383 16918 BinBase maltose 1 204 946601 Fiehn 439186 GUBGYTABKSRVRQ-PICCSMPSSA-N C00208 1979 BinBase mannitol 319 663215 Fiehn 6251 FBPFZTCFMRRESA-KVTDHHQDSA-N C00392 17883 BinBase mannose 205 645856 Fiehn 18950 C00159 70 BinBase methionine 176 483560 Fiehn 6137 FFEARJCKVFRZRR-BYPYZUCNSA-N C00073 45 BinBase methionine sulfoxide 128 605401 Fiehn 158980 C02989 1689 BinBase myo-inositol 305 730022 Fiehn 892 CDAISMWEOUEBRE-UHFFFAOYSA-N C00137 1741 BinBase N-acetyl-D-galactosamine 319 720730 Fiehn 440552 C05021 16829 BinBase n-acetyl-d-hexosamine 319 746341 Fiehn 24139 C03878 1674 BinBase n-acetylglutamate 158 477776 Fiehn 70914 RFMMMVDNIPUKGG-YFKPBYRVSA-N C00624 84199 BinBase N-acetylmannosamine 129 722897 Fiehn 644170 C00645 14817 BinBase N-acetylornithine 174 697086 Fiehn 439232 C00437 4931 BinBase nicotinamide 179 469827 Fiehn 936 C00153 1749 BinBase N-methylalanine 130 286855 Fiehn 5288725 C02721 35 BinBase nonadecanoic acid 117 822782 Fiehn 12591 C16535 46258 BinBase octadecanol 327 755409 Fiehn 8221 GLDOVTGHNKAZLK-UHFFFAOYSA-N 997 BinBase oleic acid 339 779120 Fiehn 445639 C00712 43 BinBase ornithine 142 527113 Fiehn 6262 C00077 1821 BinBase oxalic acid 190 260513 Fiehn 971 MUBZPKHOEPUJKR-UHFFFAOYSA-N C00209 4923 BinBase oxoproline 156 485935 Fiehn 7405 C01879 10 BinBase palmitic acid 313 713809 Fiehn 985 IPCSVZSSVZVIGE-UHFFFAOYSA-N C00249 11 BinBase parabanic acid NIST 100 464991 Fiehn 67126 ZFLIKDUSUDBGCD-UHFFFAOYSA-N C00802 4944 BinBase p-cresol 165 280360 Fiehn 2879 C01468 16321 BinBase pelargonic acid 117 399229 Fiehn 8158 FBUKVWPVBMHYJY-UHFFFAOYSA-N C01601 50 BinBase phenylalanine 218 537804 Fiehn 6140 COLNVLDHVKWLRT-QMMMGPOBSA-N C00079 33 BinBase phosphate 314 345365 Fiehn 1004 C00009 4 BinBase phosphoethanolamine 299 604335 Fiehn 1015 C00346 41988 BinBase phthalic acid 147 567345 Fiehn 1017 C01606 46142 BinBase pinitol 260 622466 Fiehn 164619 C03844 16544 BinBase piperidone 156 275603 Fiehn 12665 0 34023 BinBase proline 142 364716 Fiehn 145742 ONIBWKKTOPOVIA-BYPYZUCNSA-N C00148 8 BinBase pseudo uridine 217 813899 Fiehn 15047 C02067 1688 BinBase putrescine 174 588119 Fiehn 1049 C00138 21703 BinBase quinic acid 345 634900 Fiehn 6508 C00296 4523 BinBase ribitol 217 575497 Fiehn HEBKCHPVOIAQTA-ZXFHETKHSA-N C00474 7362 BinBase ribonic acid 292 599680 Fiehn 5460677 C01685 1683 BinBase ribose 217 553135 Fiehn 5779 HMFHBZSHGGEWLO-SOOFDHNKSA-N C00121 1662 BinBase saccharic acid 333 699211 Fiehn 607 DSLZVSRJTYRBFB-LLEIAEIESA-N C00818 11214 BinBase serine 218 395020 Fiehn 5951 MTCFGRXMJLQNBG-REOHCLBHSA-N C00065 25 BinBase shikimic acid 204 611100 Fiehn 8742 JXOHGGNKMLTUBP-HSUXUTPPSA-N C00493 286 BinBase sorbitol 217 667922 Fiehn 5780 FBPFZTCFMRRESA-JGWLITMVSA-N C00794 162 BinBase squalene 95 976237 Fiehn 5280370 C00751 23042 BinBase stearic acid 117 787622 Fiehn 5281 C01530 13 BinBase succinic acid 247 370608 Fiehn 1110 KDYFGRWQOYBRFD-UHFFFAOYSA-N C00042 161 BinBase sucrose 271 915139 Fiehn 5988 CZMRCDWAGMRECN-UGDNZRGBSA-N C00089 173 BinBase s(-)-willardiine 204 815363 Fiehn 5123 C03584 4716 BinBase threitol 217 467595 Fiehn 169019 UNXHWFMMPAWVPI-QWWZWVQMSA-N C16884 770 BinBase threonic acid 292 497572 Fiehn 151152 JPIJQSOTBSSVTP-STHAYSLISA-N C01620 172 BinBase threonine 218 409568 Fiehn 6288 AYFVYJQAPQTCCC-GBXIJSLDSA-N C00188 26 BinBase threose 205 446119 Fiehn 5460672 C06463 100335 BinBase thymine 255 420133 Fiehn 1135 C00178 1692 BinBase tocopherol alpha- 237 1067809 Fiehn 638015 NCYCYZXNIZJOKI-OVSJKPMPSA-N C00376 100 BinBase tocopherol gamma- 223 1026121 Fiehn 92729 C02483 4545 BinBase trans-4-hydroxyproline 158 460662 Fiehn 5810 PMMYEEVYMWASQN-DMTCNVIQSA-N C01157 43180 BinBase tryptophan 202 780482 Fiehn 6305 QIVBCDIJIAJPQS-VIFPVBQESA-N C00078 14 BinBase tyrosine 218 671252 Fiehn 6057 OUYCCCASQSFEME-QMMMGPOBSA-N C00082 16 BinBase uracil 241 385735 Fiehn 1174 C00106 1664 BinBase urea 189 328888 Fiehn 1176 C00086 441 BinBase uric acid 441 730691 Fiehn 1175 LEHOTFFKMJEONL-UHFFFAOYSA-N C00366 23 BinBase uridine 224 856709 Fiehn 6029 DRTQHJPVMGBUCF-XVFCMESISA-N C00299 4705 BinBase valine 144 313502 Fiehn 6287 C00183 3 BinBase xanthine 353 701688 Fiehn 1188 LRFVTYWOQMYALW-UHFFFAOYSA-N C00385 1669 BinBase xylitol 217 567437 Fiehn 6912 HEBKCHPVOIAQTA-NGQZWQHPSA-N C00379 5857 BinBase xylose 103 543267 Fiehn 135191 SRBFZHDQGSBBOR-IOVATXLUSA-N C00181 169 BinBase xylulose NIST 173 553450 Fiehn 22253 C00312 31632 BinBase maltose 204 946601 439186 C00208 isothreonic acid 292 489385 5280363 C00639 fucose 160 578299 439650 C02095 elaidic acid 339 779120 445639 C00712 METABOLITES_END #END