#METABOLOMICS WORKBENCH kpaglia_20210527_151603 DATATRACK_ID:2660 STUDY_ID:ST001809 ANALYSIS_ID:AN002932 PROJECT_ID:PR001143 VERSION 1 CREATED_ON May 28, 2021, 1:03 pm #PROJECT PR:PROJECT_SUMMARY Diet composition, calories, and fasting times contribute to maintenance of PR:PROJECT_SUMMARY health. Here, middle-aged mice were maintained for 5 months on 4:10 feeding PR:PROJECT_SUMMARY cycles, consisting of 4 days of very low-calorie intake (VLCI) achieved with PR:PROJECT_SUMMARY either standard laboratory chow (SD) or a fasting mimicking diet (FMD), followed PR:PROJECT_SUMMARY by 10 days of ad libitum access to SD. Fat and lean mass loss was accompanied PR:PROJECT_SUMMARY with improved performance, glucoregulation, and metabolic flexibility PR:PROJECT_SUMMARY independent of diet composition. However, only the 4:10/SD cycles elicited a PR:PROJECT_SUMMARY long-lasting metabolomic reprograming in serum and liver that was preserved six PR:PROJECT_SUMMARY days after refeeding. Challenged with an obesogenic diet, cycles of VLCI PR:PROJECT_SUMMARY achieved with either high-fat diet (HFD) or FMD during the low-calorie period PR:PROJECT_SUMMARY did not prevent diet-induced obesity nor did they elicited a long-lasting PR:PROJECT_SUMMARY metabolic memory, despite achieving modest metabolic flexibility. Our results PR:PROJECT_SUMMARY highlight the importance of diet composition in mediating the metabolic benefits PR:PROJECT_SUMMARY of short cycles of VLCI. PR:INSTITUTE National Institutes of Health PR:DEPARTMENT Experimental Gerontology Section and Translational Gerontology Branch, NIA PR:FIRST_NAME Rafael PR:ADDRESS 251 Bayview Blvd. Suite 100/Room 5C214. Baltimore, MD 21224 PR:EMAIL deCaboRa@grc.nia.nih.gov PR:PHONE +1-410-558-8510 PR:PROJECT_TITLE The Metabolic Benefits of Short Cycles of Very Low Caloric Intake are Dependent PR:PROJECT_TITLE on Diet Composition in Middle-Aged Mice PR:LAST_NAME de Cabo #STUDY ST:STUDY_TITLE The Metabolic Benefits of Short Cycles of Very Low Caloric Intake are Dependent ST:STUDY_TITLE on Diet Composition in Middle-Aged Mice ST:STUDY_SUMMARY Diet composition, calories, and fasting times contribute to maintenance of ST:STUDY_SUMMARY health. Here, middle-aged mice were maintained for 5 months on 4:10 feeding ST:STUDY_SUMMARY cycles, consisting of 4 days of very low-calorie intake (VLCI) achieved with ST:STUDY_SUMMARY either standard laboratory chow (SD) or a fasting mimicking diet (FMD), followed ST:STUDY_SUMMARY by 10 days of ad libitum access to SD. Fat and lean mass loss was accompanied ST:STUDY_SUMMARY with improved performance, glucoregulation, and metabolic flexibility ST:STUDY_SUMMARY independent of diet composition. However, only the 4:10/SD cycles elicited a ST:STUDY_SUMMARY long-lasting metabolomic reprograming in serum and liver that was preserved six ST:STUDY_SUMMARY days after refeeding. Challenged with an obesogenic diet, cycles of VLCI ST:STUDY_SUMMARY achieved with either high-fat diet (HFD) or FMD during the low-calorie period ST:STUDY_SUMMARY did not prevent diet-induced obesity nor did they elicited a long-lasting ST:STUDY_SUMMARY metabolic memory, despite achieving modest metabolic flexibility. Our results ST:STUDY_SUMMARY highlight the importance of diet composition in mediating the metabolic benefits ST:STUDY_SUMMARY of short cycles of VLCI. ST:INSTITUTE National Institutes of Health ST:DEPARTMENT Experimental Gerontology Section and Translational Gerontology Branch, NIA ST:LAST_NAME de Cabo ST:FIRST_NAME Rafael ST:ADDRESS 251 Bayview Blvd. Suite 100/Room 5C214. Baltimore, MD 21224 ST:EMAIL deCaboRa@grc.nia.nih.gov ST:PHONE +1-410-558-8510 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS liver L-FMD001_052 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa02_1.cdf SUBJECT_SAMPLE_FACTORS liver L-FMD002_053 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa03_1.cdf SUBJECT_SAMPLE_FACTORS liver L-FMD004_054 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa04_1.cdf SUBJECT_SAMPLE_FACTORS liver L-FMD005_055 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa05_1.cdf SUBJECT_SAMPLE_FACTORS liver L-FMD006_056 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa06_1.cdf SUBJECT_SAMPLE_FACTORS liver L-FMD007_057 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa07_1.cdf SUBJECT_SAMPLE_FACTORS liver L-FMD008_058 treatment:AL-Liver RAW_FILE_NAME=180530aJKsa08_2.cdf SUBJECT_SAMPLE_FACTORS 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RAW_FILE_NAME=180601aJKsa42_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD030_027 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa43_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD031_028 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa44_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD032_029 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa45_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD033_030 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa46_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD034_031 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa47_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD035_032 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa48_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD036_033 treatment:FMD-Serum RAW_FILE_NAME=180601aJKsa49_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD094_134 treatment:HCR-Serum RAW_FILE_NAME=180601aJKsa50_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD095_135 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa01_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD098_136 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa02_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD099_137 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa03_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD100_138 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa04_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD101_139 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa05_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD102_140 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa06_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD103_141 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa07_2.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD104_142 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa08_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD105_143 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa09_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD106_144 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa10_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD107_145 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa11_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD108_146 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa12_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD109_147 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa13_2.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD110_148 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa14_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD111_149 treatment:HCR-Serum RAW_FILE_NAME=180602aJKsa15_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD077_120 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa16_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD078_121 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa17_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD079_122 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa18_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD081_123 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa19_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD083_124 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa20_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD084_125 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa21_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD085_126 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa22_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD086_127 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa23_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD088_128 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa24_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD089_129 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa25_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD090_130 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa26_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD091_131 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa27_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD092_132 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa28_1.cdf SUBJECT_SAMPLE_FACTORS serum S-FMD093_133 treatment:HFMD-Serum RAW_FILE_NAME=180602aJKsa29_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD038_034 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa30_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD039_035 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa31_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD040_036 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa32_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD041_037 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa33_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD042_038 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa34_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD043_039 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa35_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD044_040 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa36_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD045_041 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa37_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD046_042 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa38_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD047_043 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa39_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD048_044 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa40_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD049_045 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa41_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD050_046 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa42_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD051_047 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa43_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD052_048 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa44_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD054_049 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa45_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD055_050 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa46_1.cdf SUBJECT_SAMPLE_FACTORS Serum S-FMD056_051 treatment:iFMD-Serum RAW_FILE_NAME=180602aJKsa47_1.cdf #COLLECTION CO:COLLECTION_SUMMARY Mice were euthanized and serum was collected thereafter. Liver was perfused in CO:COLLECTION_SUMMARY PBS, frozen in LN2 and pulverized thereafter. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY 6, 5-8 All mice were identified with FMD followed by a 3 digit number SD - day TR:TREATMENT_SUMMARY SD - night FMD - fed iFMD - fed FMD - fast iFMD - fast FMD - refed iFMD - refed #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of Mammalian Tissue Samples: Liver 1. References: Fiehn O, Kind T SP:SAMPLEPREP_SUMMARY (2006) Metabolite profiling in blood plasma. In: Metabolomics: Methods and SP:SAMPLEPREP_SUMMARY Protocols. Weckwerth W (ed.), Humana Press, Totowa NJ (in press) 2.Starting SP:SAMPLEPREP_SUMMARY material: Liver sample: weigh 4mg per sample into 2mL Eppendorf tubes. 3. SP:SAMPLEPREP_SUMMARY Equipment: Centrifuge (Eppendorf 5415 D) Calibrated pipettes 1-200?l and SP:SAMPLEPREP_SUMMARY 100-1000?l Eppendorf tubes 2mL, clear (Cat. No. 022363204) Centrifuge tubes SP:SAMPLEPREP_SUMMARY 50mL, polypropylene Eppendorff Tabletop Centrifuge (Proteomics core Lab.) SP:SAMPLEPREP_SUMMARY ThermoElectron Neslab RTE 740 cooling bath at –20°C MiniVortexer (VWR) SP:SAMPLEPREP_SUMMARY Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific Instruments) SP:SAMPLEPREP_SUMMARY Speed vacuum concentration system (Labconco Centrivap cold trap) Turex mini SP:SAMPLEPREP_SUMMARY homogenizer 4. Chemicals Acetonitrile, LCMS grade (JT Baker; Cat. No.9829-02) SP:SAMPLEPREP_SUMMARY Isopropanol, HPLC grade (JT Baker; Cat. No. 9095-02) Methanol Acetone Crushed SP:SAMPLEPREP_SUMMARY ice 18 M? pure water (Millipore) Nitrogen line with pipette tip pH paper 5-10 SP:SAMPLEPREP_SUMMARY (EMD Chem. Inc.) 5. Procedure Preparation of extraction mix and material before SP:SAMPLEPREP_SUMMARY experiment: Switch on bath to pre-cool at –20°C (±2°C validity temperature SP:SAMPLEPREP_SUMMARY range) Check pH of acetonitrile and isopropanol (pH7) using wetted pH paper Make SP:SAMPLEPREP_SUMMARY the extraction solution by mixing acetonitrile, isopropanol and water in SP:SAMPLEPREP_SUMMARY proportions 3 : 3 : 2 De-gas the extraction solution for 5 min with nitrogen. SP:SAMPLEPREP_SUMMARY Make sure that the nitrogen line was flushed out of air before using it for SP:SAMPLEPREP_SUMMARY degassing the extraction solvent solution Sample Preparation Weigh 4mg tissue SP:SAMPLEPREP_SUMMARY sample in to a 2mL Eppendorf tube. Add 1mL extraction solvent to the tissue SP:SAMPLEPREP_SUMMARY sample and homogenize for 45 seconds ensuring that sample resembles a powder. In SP:SAMPLEPREP_SUMMARY between samples, clean the homogenizer in solutions of methanol, acetone, water, SP:SAMPLEPREP_SUMMARY and the extraction solvent in the order listed. Vortex samples for 10 seconds, SP:SAMPLEPREP_SUMMARY then 5 minutes on 4°C shaker. Centrifuge the samples for 2 minutes at 14,000 SP:SAMPLEPREP_SUMMARY rcf. Aliquot 500µL supernatant for analysis, and 500µL for a backup. Store SP:SAMPLEPREP_SUMMARY backup aliquots in the -20°C freezer. Evaporate one 500µl analysis aliquot in SP:SAMPLEPREP_SUMMARY the Labconco Centrivap cold trap concentrator to complete dryness (typically SP:SAMPLEPREP_SUMMARY overnight). The dried aliquot is then re-suspended with 500?l 50% acetonitrile SP:SAMPLEPREP_SUMMARY (degassed as given) Centrifuge for 2 minutes at 14,000 rcf using the centrifuge SP:SAMPLEPREP_SUMMARY Eppendorf 5415. Remove supernatant to a new Eppendorf tube. Evaporate the SP:SAMPLEPREP_SUMMARY supernatant to dryness in the the Labconco Centrivap cold trap concentrator. SP:SAMPLEPREP_SUMMARY Submit to derivatization. The residue should contain membrane lipids because SP:SAMPLEPREP_SUMMARY these are supposedly not soluble enough to be found in the 50% acetonitrile SP:SAMPLEPREP_SUMMARY solution. Therefore, this ‘membrane residue’ is now taken for membrane SP:SAMPLEPREP_SUMMARY lipidomic fingerprinting using the nanomate LTQ ion trap mass spectrometer. SP:SAMPLEPREP_SUMMARY Likely, a good solvent to redissolve the membrane lipids is e.g. 75% isopropanol SP:SAMPLEPREP_SUMMARY (degassed as given above). If the ‘analysis’ aliquot is to be used for semi SP:SAMPLEPREP_SUMMARY lipophilic compounds such as tyrosine pathway intermediates (incl. dopamine, SP:SAMPLEPREP_SUMMARY serotonine etc, i.e. polar aromatic compounds), then these are supposedly to be SP:SAMPLEPREP_SUMMARY found together with the ‘GCTOF’ aliquot. We can assume that this mixture is SP:SAMPLEPREP_SUMMARY still too complex for Agilent chipLCMS. Therefore, in order to develop and SP:SAMPLEPREP_SUMMARY validate target analysis for such aromatic compounds, we should use some sort of SP:SAMPLEPREP_SUMMARY Solid Phase purification. We re-suspend the dried ‘GCTOF’ aliquot in 300 l SP:SAMPLEPREP_SUMMARY water (degassed as before) to take out sugars, aliphatic amino acids, hydroxyl SP:SAMPLEPREP_SUMMARY acids and similar logP compounds. The residue should contain our target SP:SAMPLEPREP_SUMMARY aromatics .We could also try to adjust pH by using low concentration acetate or SP:SAMPLEPREP_SUMMARY phosphate buffer. The residue could then be taken up in 50% acetonitrile and SP:SAMPLEPREP_SUMMARY used for GCTOF and Agilent chipMS experiments. The other aliquot should be SP:SAMPLEPREP_SUMMARY checked how much of our target compounds would actually be found in the SP:SAMPLEPREP_SUMMARY ‘sugar’ fraction. 6. Problems To prevent contamination disposable material SP:SAMPLEPREP_SUMMARY is used. Control pH from extraction mix. 7. Quality assurance For each sequence SP:SAMPLEPREP_SUMMARY of sample extractions, perform one blank negative control extraction by applying SP:SAMPLEPREP_SUMMARY the total procedure (i.e. all materials and plastic ware) without biological SP:SAMPLEPREP_SUMMARY sample. 8. Disposal of waste Collect all chemicals in appropriate bottles and SP:SAMPLEPREP_SUMMARY follow the disposal rules. Sample preparation of blood plasma or serum samples SP:SAMPLEPREP_SUMMARY for GCTOF analysis Purpose: This SOP describes sample extraction and sample SP:SAMPLEPREP_SUMMARY preparation for primary metabolism profiling by gas SP:SAMPLEPREP_SUMMARY chromatography/time-of-flight mass spectrometry (GCTOF). References: Fiehn O, SP:SAMPLEPREP_SUMMARY Kind T (2006) Metabolite profiling in blood plasma. In: Metabolomics: Methods SP:SAMPLEPREP_SUMMARY and Protocols. Weckwerth W (ed.), Humana Press, Totowa NJ. Fiehn, O. SP:SAMPLEPREP_SUMMARY Metabolomics by gas chromatography - mass spectrometry: combined targeted and SP:SAMPLEPREP_SUMMARY untargeted profiling. 2016. Curr. Protoc. Mol. Biol. 114:30.4.1-30.4.32. doi: SP:SAMPLEPREP_SUMMARY 10.1002/0471142727.mb3004s114. Starting material: Plasma/serum: 30 µL sample SP:SAMPLEPREP_SUMMARY volume or aliquot Equipment: Centrifuge Eppendorf 5415 D Calibrated pipettes SP:SAMPLEPREP_SUMMARY 1-200µL and 100-1000µL Multi-Tube Vortexer (VWR VX-2500) Orbital Mixing SP:SAMPLEPREP_SUMMARY Chilling/Heating Plate (Torrey Pines Scientific Instruments) Speed vacuum SP:SAMPLEPREP_SUMMARY concentration system (Labconco Centrivap cold trap) Nitrogen line with Pasteur SP:SAMPLEPREP_SUMMARY pipette Chemicals and consumables: Product Manufacturer & Part Number Eppendorf SP:SAMPLEPREP_SUMMARY tubes 1.5 mL, uncolored Eppendorf 022363204 Crushed ice UC Davis Water, LC/MS SP:SAMPLEPREP_SUMMARY Grade Fisher Optima W6-4 Acetonitrile, LC/MS Grade Fisher Optima A955-4 SP:SAMPLEPREP_SUMMARY Isopropanol, LC/MS Grade Fisher A461-4 pH paper 5-10 Millipore Sigma 1095330001 SP:SAMPLEPREP_SUMMARY Bioreclamation human plasma (disodium EDTA) Bioreclamation HMPLEDTA Sample SP:SAMPLEPREP_SUMMARY Preparation: Preparation of extraction solvent For 1 L of extraction solvent, SP:SAMPLEPREP_SUMMARY combine 375 mL of acetonitrile, 375 mL of isopropanol, and 250 mL water in a 1 L SP:SAMPLEPREP_SUMMARY bottle conditioned with the aforementioned chemicals. If a different total SP:SAMPLEPREP_SUMMARY volume of extraction solvent is needed, simply mix acetonitrile, isopropanol, SP:SAMPLEPREP_SUMMARY and water in volumes in proportion 3:3:2. Purge the extraction solution mix for SP:SAMPLEPREP_SUMMARY 5 min with nitrogen with small bubbles. Make sure that the nitrogen line is SP:SAMPLEPREP_SUMMARY flushed out of air before using it for degassing the extraction solvent SP:SAMPLEPREP_SUMMARY solution. Store at -20°C until use. Note: if solvent freezes, sonicate until SP:SAMPLEPREP_SUMMARY thawed and mix before use. Extraction Thaw raw samples at room temperature (or SP:SAMPLEPREP_SUMMARY in the refrigerator at 4?C) and vortex 10 sec at low speed to homogenize. SP:SAMPLEPREP_SUMMARY Aliquot 30 ?L of plasma sample into a 1.5 mL Eppendorf tube. Keep all samples SP:SAMPLEPREP_SUMMARY on ice. Add 1 mL 3:3:2 (v/v/v) ACN:IPA:H2O extraction solvent (prechilled in a SP:SAMPLEPREP_SUMMARY -20°C freezer). Vortex the sample for 10 sec. Shake for 5 min at 4°C using the SP:SAMPLEPREP_SUMMARY Orbital Mixing Chilling/Heating Plate. Continue to keep all extracted samples on SP:SAMPLEPREP_SUMMARY ice. Centrifuge samples for 2 min at 14000 rcf. Aliquot two 450 ?L portions of SP:SAMPLEPREP_SUMMARY the supernatant into 1.5 mL Eppendorf tubes (one for analysis and one as a SP:SAMPLEPREP_SUMMARY backup sample). Transfer 100 ?L of the remaining supernatant from each sample SP:SAMPLEPREP_SUMMARY to a 2, 15, or 50 mL tube for pools, depending on number of samples in the SP:SAMPLEPREP_SUMMARY study. Evaporate one 450 ?L aliquot of the sample in the Labconco Centrivap SP:SAMPLEPREP_SUMMARY cold trap concentrator to complete dryness. Proceed with cleanup or store tubes SP:SAMPLEPREP_SUMMARY at -20°C until cleanup. Pooling Transfer multiple 475 µL aliquots of pooled SP:SAMPLEPREP_SUMMARY samples to 1.5 mL Eppendorf tubes, one aliquot for every 10 samples in the SP:SAMPLEPREP_SUMMARY study. If there is still pool remaining, prepare additional aliquots for backup. SP:SAMPLEPREP_SUMMARY Centrifuge pool samples for 2 min at 14000 rcf. Remove 450 µL supernatant to SP:SAMPLEPREP_SUMMARY new 1.5 mL Eppendorf tube. Evaporate to complete dryness in the Labconco SP:SAMPLEPREP_SUMMARY Centrivap cold trap concentrator. Proceed with cleanup or store tubes at -20°C SP:SAMPLEPREP_SUMMARY until cleanup. Cleanup Resuspend the dried aliquot with 500 ?L 50:50 (v/v) SP:SAMPLEPREP_SUMMARY ACN:H2O (degassed as given above) and vortex for about 10 sec. Centrifuge for 2 SP:SAMPLEPREP_SUMMARY min at 14000 rcf. Remove 475 ?L supernatant to a new 1.5 mL Eppendorf tube. SP:SAMPLEPREP_SUMMARY Evaporate the transferred supernatant to complete dryness in the Labconco SP:SAMPLEPREP_SUMMARY Centrivap cold trap concentrator. Submit to derivatization (see SOP SP:SAMPLEPREP_SUMMARY “Derivatization of GC Samples & Standards”) or store at -20°C until ready SP:SAMPLEPREP_SUMMARY for analysis. Quality assurance For every 50 samples, perform one method blank SP:SAMPLEPREP_SUMMARY negative control extraction by applying the total procedure (i.e. all materials SP:SAMPLEPREP_SUMMARY and plastic ware) without biological sample. If no combined pool was made from SP:SAMPLEPREP_SUMMARY the extracted samples, use one commercial plasma/serum pool sample per 10 SP:SAMPLEPREP_SUMMARY authentic subject samples as control instead. Disposal of waste Collect all SP:SAMPLEPREP_SUMMARY chemicals in appropriate bottles and follow the disposal rules. Collect residual SP:SAMPLEPREP_SUMMARY plasma/serum samples in specifically designed red ‘biohazard’ waste bags. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Primary metabolism by GCTOF CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME LECO Pegasus IV GC-time of flight mass spectrometers CH:COLUMN_NAME Rtx-5Sil MS column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS GC-TOF Method: Instruments: Gerstel CIS4 –with dual MPS Injector/ Agilent 6890 MS:MS_COMMENTS GC- Pegasus III TOF MS Injector conditions: Agilent 6890 GC is equipped with a MS:MS_COMMENTS Gerstel automatic liner exchange system (ALEX) that includes a multipurpose MS:MS_COMMENTS sample (MPS2) dual rail, and a Gerstel CIS cold injection system (Gerstel, MS:MS_COMMENTS Muehlheim, Germany) with temperature program as follows: 50°C to 275°C final MS:MS_COMMENTS temperature at a rate of 12 °C/s and hold for 3 minutes. Injection volume is MS:MS_COMMENTS 0.5 ?l with 10 ?l/s injection speed on a splitless injector with purge time of MS:MS_COMMENTS 25 seconds. Liner (Gerstel #011711-010-00) is changed after every 10 samples, MS:MS_COMMENTS (using the Maestro1 Gerstel software vs. 1.1.4.18). Before and after each MS:MS_COMMENTS injection, the 10 ?l injection syringe is washed three times with 10 ?l ethyl MS:MS_COMMENTS acetate. Gas Chromatography conditions: A 30 m long, 0.25 mm i.d. Rtx-5Sil MS MS:MS_COMMENTS column (0.25 ?m 95% dimethyl 5% diphenyl polysiloxane film) with additional 10 MS:MS_COMMENTS m integrated guard column is used (Restek, Bellefonte PA). 99.9999% pure Helium MS:MS_COMMENTS with built-in purifier (Airgas, Radnor PA) is set at constant flow of 1 ml/min. MS:MS_COMMENTS The oven temperature is held constant at 50°C for 1 min and then ramped at MS:MS_COMMENTS 20°C/min to 330°C at which it is held constant for 5 min. Mass spectrometer MS:MS_COMMENTS settings: A Leco Pegasus IV time of flight mass spectrometer is controlled by MS:MS_COMMENTS the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line MS:MS_COMMENTS temperature between gas chromatograph and mass spectrometer is set to 280°C. MS:MS_COMMENTS Electron impact ionization at 70V is employed with an ion source temperature of MS:MS_COMMENTS 250°C. Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 MS:MS_COMMENTS Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak height MS_METABOLITE_DATA_START Samples L-FMD001_052 L-FMD002_053 L-FMD004_054 L-FMD005_055 L-FMD006_056 L-FMD007_057 L-FMD008_058 L-FMD009_059 L-FMD010_060 L-FMD011_061 L-FMD012_062 L-FMD013_063 L-FMD014_064 L-FMD015_065 L-FMD016_066 L-FMD018_067 L-FMD058_150 L-FMD059_151 L-FMD060_152 L-FMD061_153 L-FMD062_154 L-FMD063_155 L-FMD064_156 L-FMD065_157 L-FMD067_158 L-FMD068_159 L-FMD069_160 L-FMD070_161 L-FMD072_162 L-FMD073_163 L-FMD075_164 L-FMD019_068 L-FMD020_069 L-FMD021_070 L-FMD022_071 L-FMD023_072 L-FMD024_073 L-FMD025_074 L-FMD026_075 L-FMD027_076 L-FMD028_077 L-FMD029_078 L-FMD030_079 L-FMD031_080 L-FMD032_081 L-FMD033_082 L-FMD034_083 L-FMD035_084 L-FMD036_085 L-FMD094_181 L-FMD095_182 L-FMD098_183 L-FMD099_184 L-FMD100_185 L-FMD101_186 L-FMD102_187 L-FMD103_188 L-FMD104_189 L-FMD105_190 L-FMD106_191 L-FMD107_192 L-FMD108_193 L-FMD109_194 L-FMD110_195 L-FMD111_196 L-FMD037_086 L-FMD038_087 L-FMD039_088 L-FMD040_089 L-FMD041_090 L-FMD042_091 L-FMD043_092 L-FMD044_093 L-FMD045_094 L-FMD046_095 L-FMD047_096 L-FMD048_097 L-FMD049_098 L-FMD050_099 L-FMD051_100 L-FMD052_101 L-FMD054_102 L-FMD055_103 L-FMD056_104 L-FMD076_165 L-FMD077_166 L-FMD078_167 L-FMD079_168 L-FMD081_169 L-FMD082_170 L-FMD083_171 L-FMD084_172 L-FMD085_173 L-FMD086_174 L-FMD088_175 L-FMD089_176 L-FMD090_177 L-FMD091_178 L-FMD092_179 L-FMD093_180 S-FMD002_001 S-FMD004_002 S-FMD005_003 S-FMD006_004 S-FMD007_005 S-FMD008_006 S-FMD009_007 S-FMD010_008 S-FMD011_009 S-FMD012_010 S-FMD013_011 S-FMD014_012 S-FMD015_013 S-FMD016_014 S-FMD018_015 S-FMD058_105 S-FMD059_106 S-FMD060_107 S-FMD061_108 S-FMD062_109 S-FMD063_110 S-FMD064_111 S-FMD065_112 S-FMD067_113 S-FMD068_114 S-FMD069_115 S-FMD070_116 S-FMD072_117 S-FMD073_118 S-FMD075_119 S-FMD019_016 S-FMD020_017 S-FMD021_018 S-FMD022_019 S-FMD023_020 S-FMD024_021 S-FMD025_022 S-FMD026_023 S-FMD027_024 S-FMD028_025 S-FMD029_026 S-FMD030_027 S-FMD031_028 S-FMD032_029 S-FMD033_030 S-FMD034_031 S-FMD035_032 S-FMD036_033 S-FMD094_134 S-FMD095_135 S-FMD098_136 S-FMD099_137 S-FMD100_138 S-FMD101_139 S-FMD102_140 S-FMD103_141 S-FMD104_142 S-FMD105_143 S-FMD106_144 S-FMD107_145 S-FMD108_146 S-FMD109_147 S-FMD110_148 S-FMD111_149 S-FMD077_120 S-FMD078_121 S-FMD079_122 S-FMD081_123 S-FMD083_124 S-FMD084_125 S-FMD085_126 S-FMD086_127 S-FMD088_128 S-FMD089_129 S-FMD090_130 S-FMD091_131 S-FMD092_132 S-FMD093_133 S-FMD038_034 S-FMD039_035 S-FMD040_036 S-FMD041_037 S-FMD042_038 S-FMD043_039 S-FMD044_040 S-FMD045_041 S-FMD046_042 S-FMD047_043 S-FMD048_044 S-FMD049_045 S-FMD050_046 S-FMD051_047 S-FMD052_048 S-FMD054_049 S-FMD055_050 S-FMD056_051 Factors treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:AL-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:ALHF-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:FMD-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:HCR-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:iFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:HFMD-Liver treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:AL-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:ALHF-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:FMD-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HCR-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:HFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum treatment:iFMD-Serum xylose 1392 966 1386 1137 1417 1136 1198 1185 1114 1198 853 1046 796 1006 1014 1088 946 915 1067 1295 981 1300 926 1182 1148 929 933 1141 1393 809 1109 1268 1098 1081 1330 1113 1197 1213 1292 1094 1092 1116 843 1311 1408 1094 1088 1498 1624 1049 843 1270 1335 1194 1015 1131 979 1173 1018 1373 1480 1224 1343 1180 958 1685 1091 1525 1674 1491 1443 1306 1708 1372 1259 953 1208 1591 1619 1115 1346 1281 916 1127 1452 860 973 1251 1125 988 1130 989 970 1143 1106 1291 1021 1248 1068 1225 3952 4250 7793 4670 5727 3314 4367 3142 5459 4522 5554 3728 3849 2034 4563 8353 3006 5029 6257 8387 4762 7277 5782 5709 3679 8215 5480 12650 4423 4747 7389 3651 6562 7403 8343 4288 5288 4384 4959 4117 5628 2093 6791 4359 3314 5236 3728 7393 9046 3121 7926 9642 5981 4698 7602 4678 7671 8043 4244 7965 2239 2567 5261 2142 6877 5552 9193 6081 6894 3783 5401 7769 6753 7121 5367 4507 3467 6751 2350 5954 7340 4249 5458 4891 8263 7075 8373 5532 5914 5447 6340 7983 5567 6743 5949 5188 xylonolactone NIST 683 525 528 932 506 461 762 435 511 805 360 352 439 399 338 435 708 532 912 538 490 374 732 755 720 819 823 393 882 846 611 508 485 416 540 443 465 559 567 607 504 379 304 531 407 658 527 504 346 1034 583 570 821 434 813 758 484 931 1065 862 1662 623 641 549 281 606 510 552 665 519 869 572 499 1062 519 401 737 375 866 413 474 635 410 266 568 928 435 633 599 607 779 836 715 880 571 617 477 863 878 984 1117 893 510 1248 926 449 556 1114 735 1159 1300 1443 1238 0 386 632 2291 2196 1897 646 1109 779 417 652 864 1819 1922 3371 878 850 520 375 370 294 652 341 793 611 1284 691 512 380 556 425 860 804 533 469 183 1192 174 298 1413 1171 313 729 474 419 1708 552 761 1839 475 1463 307 225 230 267 309 859 1277 765 401 414 338 452 257 414 1593 390 382 1587 1735 1098 440 242 298 438 2047 629 1624 509 1642 789 2228 1984 xylonic acid isomer 448 943 286 1593 177 735 494 172 474 1127 1239 659 189 159 246 450 2736 919 1011 762 80 296 1580 1641 1626 539 2125 548 1396 1433 1441 1819 1441 464 1405 2266 314 618 199 688 397 974 636 850 632 1498 1001 1127 141 2450 1857 2229 2627 911 1489 1760 1206 1941 2343 199 1797 1977 1265 914 1070 575 718 853 872 825 691 621 1272 477 155 480 697 140 634 64 620 803 231 270 2458 1825 1952 2523 2200 2685 1076 1695 1740 761 2028 2272 1603 1729 1474 248 325 188 579 361 626 514 301 253 327 349 439 410 298 0 520 652 514 767 438 611 288 286 337 244 225 380 244 454 300 232 283 360 405 372 408 235 415 441 281 460 342 328 367 403 249 537 261 299 459 157 360 266 187 396 243 325 400 356 287 383 267 303 317 261 493 551 237 436 235 189 323 446 370 403 460 579 450 439 174 369 459 249 277 390 526 264 514 316 337 467 247 526 292 533 332 307 xylitol 249 2668 9777 3191 3941 3278 5270 574 2741 1347 2856 1019 2129 1163 2098 2699 2186 1942 2958 1711 1829 2587 3879 3174 2528 1704 1577 2173 1632 2106 1377 2583 2730 287 1620 1325 347 2510 9366 2633 2144 2405 2247 3840 2243 3238 1305 3069 3666 1504 2740 1179 948 916 1498 2801 1694 2573 1245 1866 1031 2377 1917 1500 229 996 1533 2382 3359 2104 4501 4236 7283 1755 860 1899 973 2213 1672 1043 1184 3509 1972 1741 1737 2290 2605 1444 2120 2973 2617 3027 1957 1868 2461 1900 1598 2108 3085 1946 444 823 1203 844 1012 494 387 543 616 758 1050 610 875 0 955 1194 725 303 892 744 586 858 479 993 647 1238 756 1276 829 770 830 1202 1601 1653 1271 724 421 629 604 673 572 1083 774 1284 1625 898 863 1106 640 353 725 866 513 722 855 643 1165 626 344 756 389 237 741 312 1415 1707 724 1122 781 624 744 713 554 543 792 954 688 1224 573 1132 944 713 848 417 1035 1057 947 445 789 510 656 704 527 1321 578 742 xanthosine 369 260 365 467 165 160 350 291 231 249 296 232 112 79 88 352 450 137 310 220 203 252 325 337 377 250 363 326 309 228 170 998 197 296 525 319 281 151 335 317 229 303 169 329 201 250 426 290 381 405 270 314 464 241 427 314 165 355 380 235 531 210 279 222 286 417 130 534 517 193 298 271 143 638 274 280 154 305 223 369 146 560 144 302 540 331 238 556 247 240 256 210 287 256 275 489 263 302 366 437 71 142 177 66 140 100 83 82 138 79 106 72 120 0 159 203 89 137 169 542 120 92 203 184 111 107 166 84 75 154 139 123 109 87 106 122 130 109 81 78 196 140 125 83 109 139 83 58 85 114 158 167 119 147 177 148 120 104 127 114 77 58 68 89 54 164 130 209 118 113 98 237 128 94 147 126 99 133 48 67 86 69 76 139 131 231 153 153 140 104 80 124 77 169 97 55 xanthine 5341 2801 6747 5145 2373 3166 5803 3709 3171 3155 2664 2171 2707 1329 1626 5105 6607 2720 4121 745 3635 3054 4047 3503 4121 3958 4013 4850 3587 4005 6534 9774 2713 2641 4444 3761 2790 2340 5536 4393 3333 5993 2866 8848 3437 3963 4092 4190 11290 4521 2479 4449 4114 3756 5911 3543 1553 5682 3262 4933 8253 2426 2690 3246 17904 4938 2174 6179 7289 3386 6151 5370 15496 5938 2915 5608 2403 6843 4432 4483 2109 8099 586 4308 5504 4997 2936 6247 2629 2240 6957 3066 2749 3826 2689 4869 3030 5232 4617 4993 962 223 327 361 954 1749 108 96 68 102 285 261 358 0 189 3624 1011 1575 509 1741 229 1889 282 169 574 425 1504 1151 215 108 1578 1374 626 66 2486 1042 911 665 376 341 68 335 929 318 1180 1899 1543 531 469 676 1916 817 99 2940 721 767 708 681 228 538 631 674 2682 1571 506 2181 2358 2549 768 2266 844 1833 3512 1057 3280 6005 4630 1574 154 1074 2780 501 560 1901 709 184 69 307 1151 2056 210 2638 543 1278 1608 179 valine 33416 57660 32892 28452 39107 29748 27868 31080 36684 19173 60337 65392 76025 72997 98748 64603 45431 62555 50791 10528 28006 45742 31781 40388 23817 59400 32064 34077 4826 34576 39634 29656 21957 19134 44912 42884 17969 31608 40473 27427 44083 39171 23938 25453 44543 48809 26397 16806 34879 29677 36988 22799 37296 44062 46328 36172 30608 30042 33646 43392 32080 37539 63142 34070 56379 23474 78402 20524 31676 27427 38513 55667 26441 39801 57276 19594 80411 49653 2750 39859 23707 24169 55502 20745 26936 3789 21705 27438 23849 24568 34136 37156 27608 34831 17688 26825 20685 25742 24659 28664 894083 1081138 491644 840476 610986 605531 837790 874508 798948 750725 859986 1058326 965360 1015501 593710 254801 1303566 1032364 416288 468255 1182600 788935 708804 460063 1352929 453319 972097 529311 824677 1191071 486375 504335 517276 582935 413012 594050 1081670 818185 856095 411698 423613 390746 520851 556263 549919 358859 562549 431394 360805 968213 250810 409984 555781 721625 604715 832888 481949 363548 960492 399126 870621 914263 362285 869667 261899 406939 563703 686588 693533 931738 798580 570071 540881 463237 577381 337167 616228 443601 887572 393401 412437 816356 794454 625959 539747 585766 478937 343318 743461 398386 758772 333110 706293 258800 726228 895436 urocanic acid 168 78 116 149 111 88 153 140 96 125 57 88 104 71 65 116 163 121 142 108 117 188 96 182 179 99 155 155 96 135 227 197 119 162 179 131 129 100 200 85 101 157 157 149 70 80 122 96 179 87 107 154 167 178 332 138 128 131 124 143 229 188 194 206 358 142 127 167 93 115 152 76 269 161 126 129 118 195 151 168 130 127 98 113 97 188 151 255 127 162 247 241 81 102 134 185 271 176 129 203 196 245 441 410 1366 532 428 270 271 380 461 824 271 0 340 754 435 360 626 605 257 1189 383 873 290 592 537 595 629 424 325 318 294 409 381 393 251 453 297 296 264 283 292 664 255 957 226 207 473 283 501 260 353 1282 386 382 572 487 361 573 395 568 555 654 662 346 1376 545 309 284 492 430 524 500 543 645 2917 616 311 832 454 242 312 194 374 552 492 432 415 492 660 709 664 443 209 509 uridine 3842 6522 4028 3648 926 1170 5991 2801 2726 1529 1572 839 1434 770 746 2741 2042 1082 1647 1233 863 1374 1560 976 1207 1096 1100 2259 1075 1810 596 3214 1129 1695 1200 1112 671 1255 3921 1585 1325 518 1358 3201 1250 1765 1755 2287 4341 1933 1344 1518 2061 1023 1802 1034 775 2373 1905 2872 3681 1222 1121 982 309 1057 784 1291 2047 1566 3522 2030 10071 1009 839 2162 714 1076 1633 483 1088 2037 1682 1307 1579 2874 1147 2207 1053 995 1189 1757 1015 864 1280 1763 1391 1459 1947 2511 220 306 237 136 288 760 269 130 242 116 283 151 254 0 153 640 175 369 648 692 321 490 661 509 326 853 185 307 280 219 482 122 166 695 224 154 151 147 171 127 197 368 182 157 592 174 666 225 676 267 1003 923 739 412 651 856 325 276 336 182 317 233 457 240 583 1260 461 446 473 166 704 800 477 478 591 355 210 460 205 478 246 218 214 270 732 267 746 149 392 113 210 238 258 313 255 615 uric acid 192 115 109 198 128 126 106 91 118 118 290 187 163 154 98 139 196 287 234 577 216 268 138 591 409 365 291 210 238 268 340 203 96 199 287 168 121 152 133 339 174 106 352 209 180 177 175 191 160 1062 226 854 704 235 646 223 295 170 452 367 458 466 288 247 240 505 215 246 234 411 283 174 59 925 201 147 162 284 167 495 292 230 132 150 330 645 332 789 206 360 188 347 685 206 156 233 214 368 241 814 7052 4585 8516 5357 8312 6447 7738 6542 5284 7624 10525 5794 8156 5440 8901 5835 1209 880 4839 513 5414 4183 5441 5113 4500 4519 3089 4505 3545 2878 8118 4813 6367 11778 8039 6324 8513 9182 7292 12596 9843 12626 9673 9018 8292 9302 6446 8069 5900 3603 7275 8580 6887 4819 6035 7880 11167 7559 20009 9782 7407 11559 27219 11118 5919 2319 5291 2304 4175 3761 4624 5644 5882 7195 4087 2299 2027 3266 6060 9067 5965 8040 5554 8353 11298 6886 12115 8866 10310 9231 7891 7431 9307 9057 6807 7882 urea 301269 284632 245398 157491 447013 371720 195782 176841 207748 237643 217919 330019 295868 340115 361448 181245 215868 518520 428986 330690 266417 380466 274664 277080 311233 358120 214373 421566 1071526 285716 481898 120454 100260 134102 163003 158272 121882 343523 151431 276850 149919 117159 128201 137778 384889 172980 115101 116086 106135 127734 421164 179130 195767 354770 337619 237787 243421 142372 155882 404319 184731 286187 315787 135462 566303 135054 395452 109642 128307 530632 335953 147477 94402 258433 145285 126770 424070 163582 386456 136717 401471 126336 344165 99412 119078 135182 173589 159860 155372 173775 291932 379675 314964 218940 113312 210432 136593 107447 144708 158219 1412199 1069881 1741022 1279328 1577981 971846 1280307 864223 1405895 1043085 1313800 1002080 1087813 1658763 1331627 1861604 176056 1432486 375990 2828422 1286255 1169014 1451324 2075634 1284258 1714546 1743756 2807143 1233712 1670436 867664 1138119 1705511 1785680 1025568 1150732 1016337 765226 956454 1226665 1503289 1256944 1187274 1235621 898623 1190598 945718 1276282 1406065 245538 511161 494159 1782570 500757 1423769 1060980 1190852 1330918 1226000 1349662 73879 709776 1612707 901043 1506271 1492117 97626 1348173 1680660 1337588 1265611 1489420 1402466 1356860 1012530 1201109 792734 1038124 1312269 1183979 871107 946733 1179003 1276020 1318154 929741 1618986 1158598 426623 1069402 1418552 1419107 960192 1714298 531173 1173575 uracil 630 844 3332 758 349 235 1110 185 287 652 635 601 473 582 810 942 2031 2592 2766 4570 16333 5960 3000 4450 4550 13888 3112 5607 3185 5305 35230 1536 169 419 1705 160 1089 1018 736 1064 2512 786 2096 461 1554 1949 816 1425 1220 2331 3063 9357 1300 12890 16531 7166 1590 5044 1731 926 3873 3247 4703 5753 126056 226 1010 838 559 1278 2017 616 7472 1432 1011 1044 1279 1197 1201 611 572 1584 827 1001 1540 4666 1034 4315 2093 8299 20064 2414 4075 8998 7141 2746 9822 3939 5078 3661 822 351 1147 416 421 530 662 529 694 487 460 430 409 0 334 2393 409 503 493 1026 341 603 522 864 374 822 378 692 417 377 693 363 585 518 711 533 495 310 572 816 779 664 696 466 816 916 555 711 838 274 852 583 383 799 838 143 952 682 477 764 351 87 602 439 1032 614 1030 595 536 436 610 591 614 624 564 767 477 856 317 613 622 391 847 695 775 979 1057 561 629 239 372 617 468 748 346 97 UDP-N-acetylglucosamine 4350 5315 2317 4262 3482 3561 1594 3970 3560 5032 3586 2836 2481 3028 2066 2728 3915 997 3723 2964 3122 2477 3166 3525 4018 2270 3559 4756 3823 3820 3565 3036 3806 3701 5267 3616 4057 3647 3023 3933 3111 2639 3104 3796 2767 4007 3470 3744 2336 2011 2604 3687 4130 2832 4119 2579 3444 3122 3827 3042 1028 3194 2671 2425 1531 2253 2330 2728 3180 3245 4453 3291 1534 5138 3305 2030 2904 2890 4536 2847 2980 2235 3233 3093 2429 3477 3397 4548 3997 3766 3565 3594 3457 3321 3547 3579 3656 2658 3719 4303 170 247 376 239 430 427 101 238 318 376 271 238 171 0 224 559 412 507 459 1153 237 520 302 360 181 422 257 270 296 145 264 265 405 276 234 161 221 272 222 305 214 307 325 333 246 447 355 351 370 194 254 447 193 341 310 188 332 282 214 285 248 171 446 206 363 417 385 258 627 202 256 325 231 297 599 332 262 394 211 404 261 193 199 247 342 463 299 287 341 357 147 360 153 339 280 166 UDP-glucuronic acid 1441 2041 2793 1994 9014 6004 2808 1979 2036 1840 1803 4856 7241 8533 6618 4883 1274 9025 10098 3197 2113 7920 3355 3023 3449 10548 3490 4768 4253 8581 5476 6385 7740 9513 3305 6120 13082 2840 1677 1847 1977 2131 3688 4016 5295 8071 7307 7194 3330 4384 4442 4625 4896 6561 2958 2994 4014 2677 5360 6973 5020 8145 5126 5861 7375 3370 4179 4380 1806 7125 5258 1489 884 2463 1848 2201 5010 3196 5332 3154 4635 3779 3079 6456 5084 4498 9747 4596 12831 9520 2813 2887 2439 3015 8929 6201 6678 1751 11923 4916 151 139 187 147 228 106 109 110 100 177 163 76 127 0 155 181 82 213 119 427 84 168 122 243 56 107 117 181 131 164 120 167 621 813 671 400 102 113 154 146 297 440 267 344 285 174 427 81 225 142 175 192 117 193 132 126 182 341 80 148 62 106 119 47 126 408 282 675 139 103 120 188 657 130 586 177 207 108 142 117 122 168 126 91 131 140 113 97 251 80 162 83 121 120 91 171 tyrosine 22214 23914 29362 22834 32734 22051 16533 22037 37732 14024 30431 19469 25058 24073 34987 23148 39503 32922 27838 36695 38584 31346 26629 33342 26155 60268 26629 35042 25610 27369 55604 26282 16706 16018 23744 17471 13217 15425 16031 22745 16758 18675 14295 27592 25479 23544 20567 18632 24805 28924 33482 22795 23034 31059 40867 18761 22213 35418 21962 31994 27293 25915 37882 27437 91737 17421 28848 21105 15495 20750 24348 20664 19771 24317 15446 18096 19502 21784 20906 18077 23049 25210 20075 16767 26175 26250 15277 24714 21222 8792 42207 28302 18294 27706 19297 28200 24818 21979 21386 24922 237042 352429 156880 402502 358949 247887 248621 353707 221237 347760 398284 425331 532729 459792 218260 131575 294052 312782 222693 122987 337652 207415 193392 267361 462401 318666 327739 444015 308917 315807 208553 200447 147832 155525 191874 224451 180863 194931 279366 263076 245787 185697 212347 200843 460421 284790 306650 213499 205747 390009 174802 167071 364335 178224 195453 236449 232727 179210 403303 193074 441148 413022 247588 505290 204799 181698 308361 180749 184158 260791 196993 169461 195270 208146 237512 289825 280949 186379 353632 150380 160632 330628 257991 251560 167394 154364 154494 254251 328839 211792 333245 141736 394634 167666 259795 345701 tryptophan 3955 4250 2394 4190 3581 3880 3297 4580 5779 1339 5121 3240 4599 4720 5804 4975 6329 4739 4604 4485 3733 4133 4417 4857 3755 6849 3672 5223 4089 4362 7229 3568 3222 3627 5444 3614 3089 4154 3129 3699 4247 3884 3534 5432 3753 3617 5568 3191 3509 4603 3588 4417 5133 5495 5694 2206 3462 4151 2684 3538 3933 3615 4733 4191 7901 3836 2819 3743 3172 2969 3161 4414 5033 5291 4496 3186 1904 5425 2342 3884 3698 3807 2956 3560 4208 5056 2797 3842 3717 2968 4504 3714 3335 4095 3020 4866 3020 3566 3701 3811 214435 333466 217163 308998 294367 215799 214766 340699 229874 302679 302338 360300 370969 375074 308182 126064 183229 137543 187475 103838 306899 118889 146656 131168 261514 217954 199896 306229 274637 190892 256377 279385 267884 219850 229116 376677 256863 221782 276213 304542 290117 289400 289028 292991 311554 312082 324136 291181 208285 173551 281308 238504 178165 153243 155679 186155 244011 258659 219903 243572 230813 236211 300844 179841 168499 218986 289094 239987 154221 182869 187355 205710 223284 257137 188435 212422 285503 227787 352002 278520 272817 287264 281544 272082 232531 252314 277229 360176 358719 307369 278862 250485 285778 248255 229225 348123 trans-4-hydroxy-L-proline 24675 18757 11904 21575 16340 19710 22258 18839 22286 22959 17693 14242 16563 15218 12710 17437 22410 18485 16059 25647 26284 17046 22159 23448 23070 18259 25218 19880 20569 22688 18574 14996 20332 20347 17036 21118 22670 19905 16523 19244 22951 18180 19476 18815 17180 16400 12754 20415 13619 22167 24444 22969 20219 22128 24249 25171 18534 24730 22656 22258 20265 25113 19454 27620 12223 20858 13890 18815 17121 18290 18960 17618 11275 24428 20750 13988 14500 18806 20346 19157 19809 18358 15822 19673 18776 24979 21254 21673 22896 22651 25422 19225 23335 23253 26924 22018 22191 28552 20233 23982 14087 8726 11356 10225 10181 8063 9502 9354 12867 8772 10219 9143 7812 4922 8770 28609 5078 26326 6940 11085 6164 8068 6123 7510 6701 9955 7148 15246 6912 5381 13254 11622 13233 15767 11099 10201 10379 11855 14467 9541 12568 10690 17339 6822 12574 14305 9502 15699 8654 5213 7868 7612 30163 5753 7404 5338 8714 11664 4250 8210 5195 3555 5982 3815 12656 13027 18367 8291 8400 6985 5081 6730 8565 8976 8651 12875 8780 16292 7106 10018 10733 8399 8044 14229 13483 12935 11477 12457 10640 7667 8292 5975 9649 6403 8159 7910 tocopherol alpha- 2153 1575 8851 2693 12506 11710 2613 23059 20945 3952 5641 14068 8889 14989 9783 12698 885 3363 2960 2274 1598 4193 1672 3000 2022 2932 4107 1871 1468 2457 2688 4939 3028 7273 2974 3130 3859 8961 16160 7066 22800 4729 2294 4196 3975 1766 3681 4749 5223 2145 2392 1803 2702 3418 1535 4492 3021 1694 1039 2466 767 3042 1084 3047 938 10552 3198 14577 6036 1442 501 14962 8128 2178 24822 7684 505 11221 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147341 144190 153580 168738 155213 153577 95138 43164 143467 122373 88689 93450 121651 149963 157084 89157 163230 85666 121241 105632 122517 145696 112170 100051 78942 91185 83994 112287 198514 190485 178755 115106 107178 72358 117023 91187 122472 90745 119460 77742 106541 144334 80594 97889 95052 122226 125879 157804 109103 86703 109578 90322 171354 128682 76563 109625 77664 100711 127460 117905 149062 128249 144913 103929 95512 124816 120939 79565 134158 105601 193472 75048 99960 181378 171619 165761 111980 81804 90096 95306 124888 101879 167394 69818 178066 61722 153057 180713 threonic acid 1387 891 669 1462 1018 1168 1394 1286 1095 1608 948 1053 778 760 646 989 2120 1780 1582 1608 1423 1640 1130 1338 1117 1521 1164 692 1588 1200 2040 1753 1916 1306 4334 1510 1566 1385 722 1599 956 2670 2439 1776 2000 3953 1898 2179 1707 1983 1116 1371 2550 2072 234 1292 1018 1308 1524 1578 2603 1928 2544 1241 1018 2762 1986 925 940 2273 4022 1061 1647 3935 1288 1148 4224 1799 4984 848 1667 1374 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114803 91036 93469 69096 58001 146339 41691 111360 275415 103789 137779 39144 38844 147570 14903 59442 80132 162385 65039 98920 197589 101790 67100 247804 97951 44247 139097 115786 224037 135636 53083 128551 42452 26044 14376 148292 5814 22291 28463 32749 186498 137394 59518 136875 38136 22600 25171 36227 55435 89669 38342 37176 40260 40066 51807 83077 18877 39834 29279 60550 51623 51456 33390 38825 85160 65128 160441 196981 17419 12831 52139 38426 44965 15303 39528 21623 38573 40151 50180 51939 56525 60294 41165 32851 54178 28932 45159 3813 59420 47830 34888 26394 75237 54143 34364 60543 37690 44098 34201 45868 11299 47700 10544 57539 28346 37536 57409 48006 44098 65004 22544 44084 26788 33879 40525 43885 31103 38060 24741 34614 20912 30226 26429 22959 44627 103336 55603 64666 40597 30507 79700 58590 41048 50002 28982 49374 30399 51571 52046 104707 48957 91396 40530 53215 56428 38416 tartaric acid 329 238 261 198 334 117 193 225 383 224 579 346 188 240 309 293 402 668 651 641 265 216 152 533 274 235 347 1109 2174 1256 1047 96 76 184 181 100 86 754 241 499 202 57 343 63 425 336 75 118 67 80 514 99 147 719 221 167 415 296 195 435 161 627 833 125 300 100 361 99 87 458 769 276 53 2909 126 64 179 117 472 111 543 92 438 107 107 113 127 158 102 169 287 114 323 268 151 102 144 103 187 99 4819 4201 270 5183 4385 867 2043 4634 2940 5453 5118 6631 5307 2963 619 677 11171 9621 8695 1395 5177 3136 1258 2051 3451 9023 9434 16383 4033 4189 74 378 742 137 246 568 3195 2442 5040 258 130 508 79 308 447 113 627 75 244 5378 147 117 7139 5237 468 2921 436 165 7415 165 3281 7598 169 6646 353 317 250 588 459 3523 5201 1581 467 98 336 189 315 149 7784 137 76 7839 8124 4192 197 866 218 97 9238 122 7578 161 7612 172 9994 9191 tagatose 2669 1724 16843 3040 2116 2298 14969 5183 1817 1975 999 1216 1704 701 867 4407 1246 1426 1579 2545 279 2435 2254 2368 1686 1423 1195 2935 793 1300 622 3439 655 1226 332 1201 1598 1839 10000 1582 1127 2135 410 6142 1567 865 867 2267 10182 1552 767 1518 884 594 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1468 694 1607 948 3138 1261 1318 3004 7646 8873 22767 13797 20801 33784 3119 15370 25520 5833 18670 7833 12901 5390 17369 8205 14399 10727 7973 10955 11664 6097 7573 10500 11733 6340 10028 9781 9177 10742 5686 9351 10779 12218 20705 12434 18357 13017 12803 13333 17650 19740 24516 9982 7496 14867 11709 6638 8579 8764 10476 5565 6707 7164 6931 6300 8095 4948 7854 5799 3947 5343 5578 10918 10840 15763 21720 10127 17444 10335 14748 13245 7531 9071 5859 6961 6821 6938 4294 4589 9840 14014 9123 7418 14232 22033 20013 11636 7505 10606 5600 5893 4980 6023 7538 8000 6707 5859 6470 9496 12906 5243 8173 6077 8523 6124 8633 6499 6500 10332 7681 7018 stearic acid 163728 139970 190923 189504 179665 187989 154615 195495 160528 167273 106690 158674 114070 127396 150518 155411 244033 279668 351121 338268 297900 301670 228367 315504 240022 290706 227470 296716 343921 268160 340394 211120 132428 174843 225656 154427 176749 186072 139611 153955 157715 152341 216902 178185 146337 244080 222940 215431 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7190 4141 4921 5775 6106 2556 3616 8765 5778 4250 7268 16448 4820 11054 11379 12373 8667 6745 5941 6337 6730 7556 4343 10191 5186 2495 3013 3373 4925 4168 10761 5764 5281 6578 477 26613 4161 3596 4130 7480 9697 4626 10325 8047 6246 4168 7967 6496 4163 11125 5559 13292 7189 6187 2894 4586 4253 2609 1646 4772 13613 3345 2892 7754 12522 422 1834 3660 1593 7454 3515 1811 2182 9193 3420 3737 8541 4705 6385 13229 6333 4275 10862 6355 5845 7571 8062 3961 7066 623 11880 4578 1792 5470 2537 6659 2345 844 6059 4734 6854 4265 2605 4793 3648 5578 419 10370 4045 4219 9994 7695 2492 88561 6914 1147 2359 6189 5186 6324 6392 4989 7791 4130 8656 6336 5089 7389 3702 4355 2588 2299 3990 7035 5285 625 8260 7772 5641 7220 1868 2007 9571 6035 4792 8923 1538 7943 3617 26859 5953 6010 2820 3304 8113 4388 7545 5218 9895 10725 4625 4334 8021 26969 2496 10038 5151 4578 14505 11699 3603 3733 1906 5544 1648 7923 6481 7721 4754 2250 6564 2450 5812 7472 6502 896 5484 6368 serine 47080 39298 29735 37527 33869 35578 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352333 296589 409487 482181 531673 440190 355637 367037 388019 338140 362502 420196 469603 498402 631149 453984 443225 337323 394784 417861 364726 498304 419211 313618 372233 404856 465998 416438 389709 275521 454811 309831 384842 427969 saccharic acid 1637 1185 1182 1133 2071 1638 1445 781 803 1335 939 1662 1449 1240 1453 682 1369 1372 1445 1322 1057 79 1219 1180 1626 165 1150 1555 2002 1586 1584 1827 1752 2515 846 1840 2083 1405 993 1218 902 293 2208 1776 985 2222 1862 1745 1537 1568 1283 1898 1739 1368 1418 1062 1020 1237 1838 1282 1640 1730 1106 1251 892 1216 830 933 932 1275 1442 926 584 1208 979 827 1410 1108 1047 789 966 1083 949 1873 1783 1421 3378 2595 2174 2044 1156 993 1413 1039 1546 1687 1591 1553 3058 1812 432 484 406 442 245 373 357 315 446 346 510 394 368 0 569 1069 450 658 709 824 570 635 544 919 494 728 729 1842 495 591 782 1719 2848 1012 752 1627 341 364 270 445 596 1834 658 300 1199 359 1620 783 745 428 942 831 620 475 724 442 738 733 593 735 392 505 613 387 872 1496 896 1229 704 463 466 666 2772 866 1720 642 1212 969 269 247 563 417 425 404 497 452 628 444 589 480 370 602 175 722 421 333 ribose-5-phosphate 332 360 211 434 1301 374 353 364 561 942 537 335 316 348 933 371 882 945 1064 684 690 768 676 661 620 648 1276 886 905 1023 706 1047 3016 847 9236 1373 1417 298 243 437 341 303 299 534 399 423 577 612 278 731 733 928 851 821 800 399 871 656 775 769 1114 567 1196 465 729 941 715 765 895 669 921 279 117 518 404 428 377 514 585 351 362 421 333 664 1521 719 1246 1173 1026 1043 893 1038 904 580 401 806 1196 826 1668 613 118 106 101 112 127 155 80 66 68 82 49 77 71 0 162 142 81 319 107 605 92 48 252 149 75 284 227 300 191 142 104 427 127 383 120 101 61 73 62 178 82 450 64 505 62 355 89 278 99 54 135 271 113 101 152 85 100 144 200 101 55 49 237 100 102 533 108 70 189 78 65 59 458 94 395 374 92 127 64 115 311 81 68 287 62 241 116 70 66 78 193 118 77 85 71 144 ribose 3082 3220 12250 4738 2333 2532 7181 4209 4310 5709 2505 3713 766 764 1473 4887 10528 4790 8942 4306 1521 7019 9464 7007 8164 8420 7757 8358 6960 6815 1448 12152 13444 6068 26593 2931 2840 2006 7781 1382 2666 5646 1345 8870 3282 3324 4914 4880 16009 7752 5805 7447 9000 5168 11991 8769 3942 10341 7178 18630 17407 4640 8330 6742 4313 3188 6298 5481 9937 4989 8072 5711 24380 3015 2420 6346 2507 4327 4330 2388 393 8209 3567 3559 10652 7726 8685 11092 8092 5747 7313 5243 5824 7647 5975 12347 7547 11056 17121 2041 7113 6923 10525 2629 15752 1839 23414 2491 13638 2539 15890 8410 18836 11386 4024 4359 2414 2454 2609 3441 2550 1868 5074 1075 3992 3637 1794 2331 1562 2442 24963 438 9650 25766 26123 4446 19575 22271 5464 5150 25918 29694 5559 8132 7129 2220 3979 6104 233 4447 6841 13596 9105 4501 5172 7263 3359 3616 25142 3629 2479 4183 14608 16988 4294 5269 5518 5972 3678 2423 3587 6645 18401 7277 3691 1861 2699 3266 17971 33496 12843 14907 11583 7939 43201 1104 49141 3706 19977 511 17728 5312 21712 23918 18662 21675 ribonic acid 2232 1497 1512 1532 2219 1774 1837 1494 1445 1863 1414 1765 1296 1161 1505 1397 1936 1242 1270 1104 1214 1222 928 1370 1101 903 890 1209 1256 1130 877 1552 1843 1944 1888 1678 2602 1971 1510 1750 1534 2065 5140 1703 1336 2162 1816 2003 3622 1228 687 619 1318 1088 1190 1195 989 1030 1167 973 1533 970 1206 953 788 2135 1634 1574 1463 1514 1806 1271 5323 2665 2102 927 1551 1916 2380 1590 1833 1812 1536 1547 521 1096 1649 1058 1122 1389 1222 1000 928 986 1111 1275 1004 961 1958 1328 1001 853 1186 1217 1257 656 850 526 864 625 909 653 675 0 699 1372 1304 1822 1221 2144 884 1130 1047 2500 775 1176 829 1794 627 827 912 1131 1149 1122 1775 1129 818 1282 812 856 739 1277 966 1133 902 934 718 938 1104 526 1272 1324 1035 1208 1329 1027 1001 998 811 1016 470 447 870 744 1508 1841 1335 1513 970 712 943 1105 1499 855 1114 621 1051 1185 789 1030 2474 901 805 848 1169 1010 1304 1030 1621 1094 998 2095 1178 1957 1447 1358 ribitol 882 851 2835 1212 1041 864 1588 1348 936 783 482 768 863 3469 537 1169 1048 851 1128 621 719 854 1359 880 903 964 819 1050 703 685 471 2010 2106 674 968 1004 695 883 2198 593 705 1211 631 2585 875 3883 613 741 3929 1041 902 1189 1011 520 1201 1098 520 1239 793 2395 3078 828 805 751 918 737 2958 815 1375 1804 69 1442 10362 1463 628 1084 7472 1158 1860 618 518 1250 804 739 1246 941 1030 1441 863 709 1089 946 649 827 737 1582 969 970 1276 1824 818 834 1153 605 214 600 712 627 711 646 1054 817 791 0 704 1494 637 711 870 1032 705 820 734 1241 675 996 604 1231 785 572 971 846 1436 704 949 967 1130 696 809 567 784 1037 890 823 889 784 817 877 487 631 859 667 770 1017 884 675 928 980 622 943 295 419 625 555 1233 1621 969 1278 960 290 759 898 1033 583 1012 808 711 1025 732 808 766 708 852 663 865 796 881 747 1243 745 806 882 826 788 740 832 raffinose 520 906 459 1066 367 387 1132 782 678 257 251 387 433 272 227 454 352 266 272 138 170 150 175 250 238 233 147 140 196 175 260 1381 497 546 682 722 1067 305 427 174 297 901 310 1144 1062 534 327 1145 1711 115 104 133 320 142 414 196 347 198 107 196 223 163 283 87 282 385 936 903 1027 820 701 511 1988 266 290 2120 454 368 1234 411 548 2792 909 674 375 187 487 102 377 207 178 153 188 279 207 362 313 293 246 290 82 86 115 85 134 42 112 51 65 113 87 79 72 0 104 71 79 73 203 599 69 126 123 180 82 103 117 119 67 73 121 115 274 152 166 192 92 75 71 156 106 255 145 288 199 100 233 71 117 76 106 143 92 120 128 57 128 132 84 118 51 37 127 105 377 371 112 279 109 103 114 73 1475 220 1218 125 231 163 77 106 139 46 157 81 108 91 142 89 94 61 81 65 55 122 88 87 quinolinic acid 62 86 73 75 83 105 69 79 63 88 48 50 54 83 131 70 3291 289 1548 339 4267 687 1883 3346 586 609 629 498 501 8367 1087 73 41 62 111 77 89 77 47 50 86 62 91 52 64 82 104 48 60 269 685 2155 631 754 429 5469 4048 1848 1404 269 753 435 544 3225 374 117 65 62 58 102 68 84 98 83 87 53 84 76 92 131 92 62 94 45 1287 3189 1825 1577 376 7031 400 279 4684 867 8851 598 3111 2073 849 2032 89 54 77 58 85 66 65 62 147 73 120 68 70 0 76 144 55 166 212 594 69 74 131 154 71 117 49 109 49 100 121 98 122 89 155 64 135 67 53 96 111 127 72 110 79 99 84 63 135 41 126 127 98 115 134 127 98 115 111 96 46 43 69 85 146 127 118 161 112 110 164 86 61 68 87 113 77 118 75 73 52 37 69 79 106 122 76 71 95 70 41 46 32 95 67 55 pyruvic acid 5266 7904 14486 11680 2565 17020 2192 4596 17803 17182 10031 16925 6317 12935 14048 12475 6077 13045 7988 5538 13839 11480 12727 11451 7267 15663 7670 14753 14071 9855 28842 7823 12691 10815 17232 2593 15619 3234 11596 14401 9147 11708 15988 5409 2818 3490 11710 4581 10530 16749 18127 17788 33179 24850 17652 5025 31726 9048 5188 22661 19326 15129 10884 22817 15094 8140 13233 10411 6354 7599 11946 9773 6534 13421 6888 2530 12628 17764 7569 6049 9493 9295 6179 8706 10275 7816 12441 9473 17572 8961 14329 13294 13507 33744 23804 22756 21535 16817 16856 11677 15955 16650 29234 19236 21553 13630 14170 11014 14089 10017 25024 22785 25710 17491 14141 18818 11410 20055 10680 70307 10267 15502 11238 20733 12405 19689 13329 18003 15159 14140 16522 30333 17969 12893 23571 31449 12702 12759 12734 15100 25307 19617 17868 25678 14453 18008 21906 16173 17218 9911 20262 17931 21349 14441 16727 12793 16552 14054 47173 16391 25044 22070 30825 45667 17622 12665 17733 24576 17618 12696 12728 17805 49975 18914 19301 12090 33181 17680 7797 17142 12671 26487 14596 12667 14766 22371 18688 20629 20732 12409 26095 8077 36695 25732 13732 37812 pyrophosphate 292652 257558 116329 305089 403998 341760 185995 265846 295988 417509 292097 338950 242650 279431 285755 189658 371851 385311 425526 378989 442843 410671 329629 409431 478824 353215 519776 332707 375945 327627 408434 302074 284950 271080 477522 398387 353968 297159 166851 288756 356490 252069 257028 314810 243326 256635 244261 282308 209147 405095 312386 440445 582985 408073 503796 424243 640467 396694 487159 403715 421791 379014 423033 439089 215626 416917 229729 271419 315084 311898 210988 239942 82248 330625 402322 189668 215913 345751 309960 319499 312666 239401 235455 267848 430965 293931 353606 417314 453290 444163 440297 437344 470766 557873 366245 527975 412077 263981 354336 412540 8396 14225 19259 8444 14854 6483 16569 5302 13441 7587 10156 10046 10996 7534 13401 11671 9379 19162 10027 41117 7396 9928 10844 15294 7495 11921 10774 9680 7204 14661 11641 5705 13229 10834 9489 5632 12276 9057 6265 5747 7373 12478 8759 7027 4634 4962 4891 6517 13771 7231 14260 11976 11726 9049 13781 10585 6407 7391 8686 7917 3492 4145 10074 8186 11896 12123 11534 13865 13566 6744 10690 11801 10368 6771 8181 8142 5420 7646 7480 14548 6389 9928 9984 5171 11976 15064 16969 8285 9770 5280 2763 10948 9226 11419 8198 8246 putrescine 393 179 190 472 238 370 419 253 493 497 436 180 307 179 259 282 229 291 364 624 355 251 416 293 431 573 184 338 332 679 691 313 225 499 605 160 259 417 379 823 658 222 1932 309 227 311 509 349 173 350 606 326 234 409 286 375 407 674 539 313 428 262 532 440 734 201 155 437 323 517 535 341 265 547 638 197 192 521 560 309 219 451 226 204 468 785 121 185 186 249 501 372 377 585 179 271 211 717 213 231 972 1120 2227 1866 1109 1114 1172 928 1405 1146 992 1213 1107 0 775 2122 1911 3114 1699 2634 1787 1300 1411 3858 1261 2046 1762 1538 1849 3227 950 755 885 2470 688 1000 1459 2147 1436 1406 868 901 1769 846 735 982 794 1241 1034 941 1112 1605 874 1922 1591 2069 1830 1029 1285 1888 565 675 2916 1656 2212 1627 2055 1236 1627 1218 1009 933 756 604 723 1391 6715 1239 905 1216 1949 1067 1333 497 1314 1993 2132 828 1847 1894 799 1987 868 1781 1815 1592 p-tolyl glucuronide 90 156 149 295 248 146 196 189 159 226 141 118 159 110 102 96 160 101 211 163 209 210 81 227 167 212 351 269 365 216 183 103 107 94 135 103 136 84 59 78 78 118 107 108 99 150 199 127 126 124 80 172 217 159 254 196 187 111 127 201 210 213 189 113 132 206 126 149 146 131 120 116 85 159 117 98 201 169 226 165 190 137 185 77 211 149 169 135 132 176 146 117 153 113 152 139 218 171 122 178 420 400 1417 465 425 402 1174 356 434 757 626 323 127 0 312 225 693 372 1386 1510 754 161 822 987 612 3055 2427 3719 774 749 177 87 99 196 106 73 274 131 106 491 190 76 108 118 76 131 123 161 458 171 1726 1777 658 1192 753 676 225 100 437 557 149 141 423 242 439 171 251 95 118 176 1079 642 297 145 98 1032 70 197 220 858 1352 232 229 486 589 489 141 554 110 502 90 863 274 546 276 338 pseudo uridine 752 497 338 620 508 736 745 489 432 579 430 372 476 321 381 418 695 502 449 1608 654 591 413 880 623 1048 556 882 1554 616 2227 572 430 638 731 492 602 451 8946 525 587 535 409 554 308 580 571 569 555 690 795 926 729 1086 1265 545 520 1080 793 567 734 721 538 544 3524 455 487 537 631 643 715 450 400 672 388 380 391 489 439 481 457 396 299 358 958 721 522 714 582 755 2007 616 419 828 783 564 823 593 696 733 2820 1762 4452 1739 1911 2099 2068 1872 1807 3003 1961 1331 1299 658 2614 4758 1729 1832 3034 3032 1894 2722 1874 1937 1597 3408 2524 10365 1999 1651 3611 2497 3856 5737 4299 608 1898 1638 3372 1813 4006 3112 3586 2338 1451 2552 2168 4127 3452 1345 4367 3464 2393 2181 3179 1791 4119 2151 2630 4191 1510 1456 3355 1878 4040 3131 4107 2872 2814 1966 1493 3144 1925 2753 2247 4040 2094 4132 1548 4453 1267 2359 3406 2704 4285 4072 3565 3921 1978 2989 2006 3546 2254 4464 1836 1613 proline 13008 39062 29176 11371 31452 21147 14629 17193 25233 11000 51162 32285 44489 36748 86350 29841 17031 41700 27353 19589 9285 27623 16499 21434 16372 33343 7726 30962 41564 20824 18083 9344 10237 11157 13202 10918 11572 15878 22130 21547 14670 14122 10568 10488 39496 19079 7907 9160 16320 13168 40326 6724 13646 23962 14766 10903 13586 13790 12361 22530 8611 16268 16420 12910 13584 3965 68213 10538 10841 22907 22553 22625 17376 13954 10128 10685 69580 16830 20608 13976 20869 14068 42408 10704 7807 12027 8983 8817 9982 10282 11641 15344 18291 10830 8200 10113 9792 9707 12136 9520 572059 479054 120023 320715 293162 226978 433304 557137 291764 402594 354811 521114 389261 428561 213962 69238 283910 105036 220843 135628 544610 288961 248660 171375 579350 244136 436058 274928 349547 526192 167876 216968 189352 173236 124206 228427 404084 461175 490272 109919 117555 165586 188042 232413 293839 102979 245839 141514 114864 561042 89062 121580 228118 256091 278305 289891 168340 175359 259948 202870 442122 295372 177331 338250 89660 143714 179904 197451 225058 357949 343211 216715 155511 136055 160229 110362 214101 142507 894085 132160 132075 695216 646636 250625 154715 202421 114326 141987 512020 143934 646550 89216 569724 62861 674909 897102 pipecolinic acid 451 424 294 486 285 441 512 523 284 437 393 503 325 548 567 461 326 323 448 420 658 374 326 376 304 536 196 544 594 347 438 200 329 438 322 712 485 321 316 338 443 431 378 318 395 741 274 390 221 272 301 398 511 437 492 301 179 277 375 353 634 281 549 458 1608 365 681 227 437 463 658 314 185 421 337 163 619 409 862 269 412 211 423 246 265 301 554 240 342 401 451 238 294 404 278 385 326 225 523 294 2161 1981 3528 1649 788 2512 10079 1262 7292 2178 1612 1216 1080 0 2315 713 1522 1514 547 6635 3060 843 1437 1219 1695 658 1687 1543 1342 2639 3257 3424 13162 4739 14170 4395 2488 5729 2295 1924 1410 1284 3463 2261 5004 1278 9047 3187 3563 3396 1091 4206 1044 1704 1876 1349 3045 3929 3062 4682 2551 1848 7271 2235 1042 1159 3824 3171 1157 1720 1462 2360 3635 1903 2509 1462 2386 3673 3738 2959 4214 4432 4864 1129 1764 2511 1713 2233 811 3126 4559 1837 2126 1072 3197 3429 phosphoethanolamine 9310 7886 9162 12893 11600 10842 8001 7771 7843 12458 12196 11813 9156 9013 10030 7321 22741 14456 9815 10746 11104 12755 9258 13495 12515 13342 13702 13477 26946 18683 24646 17953 16383 22226 23251 16242 16567 8559 7044 22839 11998 9976 54474 15344 13973 29068 23684 17219 8305 21524 13986 18400 21823 12598 10956 6964 9419 18374 28019 16110 17020 24126 17432 19660 14698 20062 12512 13058 15846 21844 18681 11523 7061 13977 13451 11725 16208 6375 16759 15044 14328 15044 12388 18399 23939 42500 13625 24546 20003 21963 15261 14516 11378 8891 19248 17684 25851 48184 27271 34341 435 1112 2351 760 1441 939 883 1033 411 1547 1405 1069 863 193 1268 3028 1696 4870 1636 3090 489 1224 1608 934 810 1396 852 1989 1132 979 2019 694 1068 1754 2094 985 729 1640 1245 959 1303 908 2022 2458 2203 1829 1332 1140 1204 623 1024 1664 1206 1018 521 901 1374 1622 1511 1083 1434 1344 1890 1304 561 1646 1878 1203 2055 813 1685 2130 2021 1388 1792 3592 2003 3659 796 1238 717 2021 922 973 1407 1276 1265 1111 2683 1261 699 3000 780 2259 1068 1074 phosphoenolpyruvate 618 424 166 427 417 451 407 269 508 550 456 372 302 318 353 627 614 511 426 490 561 430 541 421 652 523 596 341 643 680 529 890 1016 548 918 1290 515 337 263 506 568 622 331 503 619 1259 543 771 546 740 559 489 801 492 540 442 791 669 518 479 1040 803 858 497 508 539 926 41358 541 990 1637 658 196 1200 364 361 412 369 2117 502 626 488 775 597 1178 713 793 846 212 1084 666 368 194 638 761 742 1118 617 870 1028 2553 2110 2607 3128 2911 3152 1615 806 1800 3219 2690 2597 2373 994 2019 1592 283 2118 1371 1015 2099 1507 1751 1838 1798 1754 1941 2227 2738 2245 2845 4644 456 2531 3898 3450 2313 1987 2590 2312 2400 2240 3222 3968 1905 665 4024 3328 1629 2259 1292 1823 1053 1812 1451 1120 2480 3382 2698 2678 1695 1137 3417 2545 2484 3307 2095 2499 1238 1901 979 1700 3098 1476 2773 5003 3626 2639 2432 2251 3534 2328 2697 2461 2137 2657 2081 3001 2518 377 2752 1975 2897 3320 3030 2397 phosphate 61941 151946 138890 112294 184656 37594 159166 308610 152043 340404 148767 262691 126714 146038 105689 153082 166501 298922 261138 271522 413217 431045 262521 210048 344828 232094 282891 402581 206389 361854 272496 171807 262836 201271 175988 308421 318201 281836 87603 277952 274944 251274 353664 269087 246181 172986 278656 154048 118364 376214 218812 382012 44665 402693 105528 384016 372692 211730 80049 14757 123385 122193 398497 168389 351161 374115 241259 265329 68201 363259 268418 189984 28693 8754 254473 100526 299230 72450 46289 298409 374266 141345 207155 166220 428888 352877 369103 393931 110777 36880 35784 383630 382899 20256 258203 186714 438908 109820 218226 95326 148170 116640 266193 97515 256025 154030 159858 124720 171895 142742 157010 166094 143315 142506 119580 131801 89843 156331 119963 327601 71234 89695 87582 129808 63121 110085 79634 63987 64097 87816 163603 132590 182808 138434 201212 114448 147847 118312 110030 174924 164049 185128 109710 141085 76733 161243 109160 150689 79133 70376 118179 101999 78278 94855 92778 78717 85034 145782 147031 117643 58981 117937 212141 149141 90558 107374 76191 89654 128159 120211 111748 142975 198681 144515 76585 84047 50015 65070 111441 178263 219790 148986 103492 182160 112332 211826 273015 89337 178010 151107 137757 217541 143859 255856 95234 92624 phenylalanine 11511 8941 7593 9059 9970 7873 7702 8978 12648 6342 10323 7246 9293 7828 10602 10926 17413 14307 10734 36710 29042 15708 10445 23333 13086 34757 11919 16116 9863 13322 57559 13664 7957 11040 14233 9941 8295 8275 6928 9859 8686 9495 12507 13088 12922 13461 11089 9924 12489 13920 16579 9609 11495 20728 20089 7521 10098 22476 9755 8714 9460 12405 19837 15054 125610 7352 11276 9465 8450 6583 12662 10202 10889 12093 8927 6073 9487 10855 8669 9786 7645 10851 12003 10324 15814 15744 7840 13083 14230 7640 34450 12898 8781 15716 11583 11744 19464 12675 10119 9629 89504 113301 82778 121322 118689 90118 80299 106386 89551 107857 122118 109410 117311 129655 87418 68288 109341 74718 99355 50708 108209 79348 79393 97825 119148 110636 131565 169839 122551 106433 70672 113997 104092 112720 66664 137928 75634 72836 85036 111616 94475 118209 85979 119417 183420 112844 136418 89678 67484 104117 77933 69362 108337 81377 89136 90823 93951 85560 116790 95450 121822 125038 98479 122049 76377 103763 81926 106838 81737 86213 82173 78081 93186 71840 110853 99983 146144 84127 129727 85948 80223 111835 122425 101926 79456 97193 91259 98389 175820 100404 109473 77303 114098 78375 102305 122184 pelargonic acid 15501 5079 10197 9796 10393 16239 10049 13491 7207 7649 6240 6442 6769 5320 6539 7527 8471 15171 26095 10913 19467 21548 8061 15366 10557 11777 26533 12851 23188 12293 15016 15075 8963 9848 19194 9608 9595 8554 6430 10709 7095 8533 12107 8883 8321 23912 14621 11212 9475 18619 9105 16094 15516 25990 13666 14666 21067 14275 15416 14577 18916 13893 18860 11322 24262 12759 13246 14192 7587 24087 13236 6234 4382 17453 11396 9992 23347 11763 45424 14212 15700 6962 6405 9841 17556 11520 9925 16688 20265 12994 15674 23368 20979 23061 17430 23532 27984 14962 15734 11212 33736 22764 32137 23232 26643 18656 22744 11371 38222 14684 14595 13777 35569 14478 37958 40304 24364 32497 30834 110542 26255 29720 28088 41232 17863 32615 22205 21163 34080 32861 39802 13425 22110 62782 32254 15634 33831 20663 21886 17148 24867 19156 22915 19880 14262 15511 18843 14456 41027 27277 60552 45175 24969 37441 36676 37564 30276 26993 16481 28941 14286 14670 33924 19781 44726 41395 38285 24010 24528 20467 34342 26407 31848 28801 19934 25608 5269 26100 15337 22838 34430 17202 18304 21647 31729 30097 19286 12627 19202 27595 21596 14038 17605 46806 11229 14558 parabanic acid NIST 757 683 573 882 663 637 500 616 617 868 567 664 465 582 689 619 997 971 790 1577 3761 1252 817 1252 901 5250 1383 994 1208 1052 7634 674 602 708 1017 778 881 732 563 818 770 684 666 751 591 1088 786 739 523 1770 855 1118 1358 1698 2720 950 1391 1179 1341 1028 1378 1371 1348 1029 18070 986 924 641 915 1169 1330 608 405 572 628 386 1180 974 1497 529 640 694 597 512 1630 987 1135 2085 890 1301 3626 1045 1142 1358 1190 877 1292 826 1384 1473 1163 1030 1152 1293 1267 1946 926 715 1575 1179 903 679 702 833 1650 1785 1156 1842 749 2381 715 1065 1023 1163 753 983 806 1872 1543 844 1622 1008 1445 1755 1325 1063 1077 713 1057 1569 1248 1220 1650 1755 1392 1880 1335 1754 1467 663 898 1006 543 1376 979 872 2836 1657 742 2057 1039 1222 1720 1058 1378 950 1260 937 1108 1156 759 1264 1063 1231 1226 1910 1622 1260 508 1525 1255 1016 1072 1261 1602 1351 1389 1699 845 1667 859 1702 620 1408 1047 1128 pantothenic acid 192 211 192 281 229 164 290 200 180 243 207 188 141 144 175 209 189 129 265 193 129 214 165 222 135 250 193 257 303 186 184 321 208 242 252 339 268 218 207 175 162 208 279 255 193 361 549 295 71 199 219 227 365 231 289 261 219 220 339 258 312 254 418 227 212 235 196 255 269 288 222 217 399 344 208 138 209 267 241 231 219 364 179 207 237 292 249 234 285 226 196 165 222 257 311 239 274 91 295 189 389 318 440 429 327 294 319 346 515 343 217 158 255 0 57 806 253 721 477 1061 530 150 282 664 44 158 445 542 454 172 348 585 815 449 383 610 358 337 345 316 108 575 477 668 400 293 596 700 1002 351 1460 1461 822 565 645 613 786 1160 799 1147 504 599 109 449 1419 1031 851 750 502 350 531 705 648 243 642 1178 401 357 562 843 817 789 589 588 568 767 475 593 935 790 447 1048 695 1110 326 676 palmitoleic acid 967 1107 1270 1929 1027 923 1129 1369 846 708 388 959 754 773 104 1287 390 256 690 675 183 780 806 597 626 540 629 484 281 423 569 602 681 846 481 178 133 398 1532 807 1028 707 422 617 518 402 8168 1317 734 507 273 418 606 419 354 967 614 474 521 228 493 184 455 425 384 819 687 1225 689 632 307 1094 4101 509 950 4470 396 778 651 1440 767 1124 348 933 414 192 597 285 119 612 466 709 654 286 483 449 522 424 317 66 4442 4142 10060 5435 5658 7964 14182 1787 7380 4768 3347 2006 6448 2365 10113 3385 1715 4500 5549 7378 2396 7662 6315 8958 1650 4410 2182 791 2659 1643 8949 4616 6186 5388 8641 5279 9499 13476 7459 11198 10123 10818 7682 6630 2397 9942 4806 10793 10338 2807 10661 13305 6673 4958 11350 6250 5790 8784 6925 9855 2439 3065 8225 4739 14812 6592 8012 6471 12535 5482 3961 8285 10583 7106 7425 4256 2792 7757 4251 22616 11387 3491 3784 12957 19383 5848 18186 12841 774 11105 6578 14289 3731 23638 5470 2413 palmitic acid 64164 50256 87932 79894 81929 83936 59000 61973 56062 62830 43106 52485 51139 52863 52630 57107 51874 56984 64939 58865 58836 58791 51706 56940 52444 54006 45491 56108 66977 54320 65382 59108 49683 57415 78270 46603 58102 66307 57371 56026 51801 46195 55763 60611 51357 63106 190622 77109 63760 66334 41975 57427 69597 60692 52705 58185 66883 61079 67757 54724 65018 62085 61573 63799 57486 63671 48957 57179 54482 77974 58027 59866 106606 60606 62921 101045 67868 78867 79194 67440 59160 76648 49386 60372 63370 44041 77488 57306 70455 55941 53844 52374 56780 71239 55104 28734 64497 63836 71810 56534 73548 59401 104364 62862 73294 75058 100795 35862 93499 58035 54584 43072 70682 0 81182 82278 41688 67175 109577 213595 82231 109742 90748 128858 68677 76590 65434 48906 55516 76390 68284 59333 62997 93312 78447 52552 81025 84640 64790 70631 78182 95093 63849 61890 34215 61905 48170 78092 118606 54093 122691 101792 83668 86103 104343 85274 71033 81387 73583 96400 47105 42607 71715 66197 95737 87424 82808 107037 112323 69205 77394 96784 80743 86653 75362 56540 82054 94003 44173 117574 76393 45434 50063 77724 118411 70539 94681 80454 39601 68713 59792 91076 45457 133588 62113 45923 palatinitol 176 179 169 163 293 259 188 218 336 99 205 328 169 259 131 144 131 207 254 272 154 152 158 223 174 225 220 146 188 163 133 211 163 208 188 212 179 195 164 119 253 282 164 193 145 187 169 270 205 166 155 157 370 199 243 90 315 112 122 294 202 276 295 192 55 127 217 186 185 256 143 142 125 216 271 103 197 234 214 142 287 159 138 180 237 144 149 314 198 297 153 127 253 149 214 170 141 107 203 204 686 190 194 2677 123 1843 80 824 171 1610 1160 294 290 0 1540 430 295 198 350 536 587 120 289 265 353 226 576 1709 783 224 116 775 200 612 226 998 90 95 544 2649 912 157 1579 2266 1779 4700 3242 1418 185 280 216 222 370 133 885 291 1208 269 135 1702 964 906 725 468 294 393 595 368 302 244 330 523 139 855 863 1200 1106 336 516 183 711 114 169 1098 184 326 210 252 168 2303 219 1108 310 160 165 244 oxoproline 1138190 840039 504830 974502 719680 864012 1007281 835829 1002929 1013069 795364 597707 760227 667198 538252 809480 1019682 784299 661048 1115643 1106384 713478 1030590 970784 1018332 725892 1074412 808713 831049 984804 727482 632025 901088 883251 660189 954948 985455 890393 734078 849899 1052691 801034 841255 834933 740878 695261 522191 885466 554470 966074 1097505 962550 855588 915374 1087650 1078012 755414 1090459 965212 926702 848646 1062431 788409 1222019 443871 891804 595483 852962 754606 786085 839398 781958 504428 1100682 886010 628794 620175 806225 882978 861745 846810 793015 691622 883529 776901 1094719 896946 889984 958321 913916 1133633 814816 990598 1027873 1150707 976775 861353 1240444 845471 1036619 514510 596252 746570 643029 1018855 654530 430508 639124 534103 648641 768641 705693 619485 661486 854063 1237772 1018763 1115000 1171139 316995 672203 995096 1031308 907044 621755 1259276 875153 847810 910962 705292 872232 1005768 748560 835210 836438 740244 509691 455720 590307 793839 806317 839965 874941 908931 566695 842189 681401 718972 1224825 747974 981463 977939 1375925 1102242 978701 1004100 978901 840702 689702 739338 753806 823447 525027 540886 1357899 1011241 904004 1076451 736673 655006 1031900 1021911 1139121 984154 1316996 1301526 927662 1169818 535886 748152 826121 629277 700160 621261 817149 690479 748126 705251 868694 757017 727582 928266 697599 966860 731761 568079 oxalic acid 449 338 300 182 429 466 61 393 220 697 257 383 552 233 343 396 565 584 479 1364 490 620 258 511 428 540 2116 486 350 478 699 300 350 489 1012 820 583 375 152 498 465 503 570 376 495 1468 777 567 289 483 1214 1899 814 906 744 398 789 368 883 569 1227 469 761 835 288 705 510 301 457 643 858 366 365 851 649 117 536 334 1621 529 386 518 456 347 689 851 917 3769 336 541 302 520 545 1470 1022 563 643 107 447 1192 2382 2783 3344 2672 4301 2582 2262 2163 2668 2586 3480 2755 2771 1165 3375 5087 3676 5477 3679 2842 3378 3805 3988 4547 3023 4485 3436 4255 3069 2727 2718 2100 2637 3621 4225 2645 2356 514 2403 2225 1443 2424 2993 2244 2216 3548 2231 3402 5808 1901 4167 4216 4241 3273 4209 3337 3929 3359 1909 3081 1668 2468 2672 1403 4988 4397 3949 4023 2431 2357 3313 3948 2630 4128 4078 4950 3538 7077 2187 3507 3397 3006 2847 2907 3304 3135 3506 3125 3841 3201 2360 4284 2691 4835 3379 2676 ornithine 3TMS 7241 5287 6996 5532 8615 6915 5335 8239 13431 4290 8182 4392 6733 8090 13335 5675 12402 18381 7442 14465 5959 6498 9146 9854 6916 26461 8336 14471 10513 18526 14280 11724 13912 9643 11127 5493 15191 5066 4751 6597 5301 7979 9136 11476 13051 15293 6075 14548 7061 9223 23473 4008 6356 6187 5676 5406 4500 8753 4275 9149 5713 8573 8500 6980 17405 3717 9701 6650 5704 7368 10263 5451 7006 6109 4696 3202 16823 9657 7296 4685 6391 8510 3793 11186 16086 10618 26646 7815 18120 11251 7282 10435 7006 6559 15947 12399 8907 8789 18971 7003 133874 138352 134904 214399 131929 336814 239569 346038 144977 221798 223107 172344 213747 123724 304787 70205 113009 83998 113883 104783 272015 111050 108362 124371 172659 134725 177518 309119 203433 179297 155356 284672 209778 110545 136063 408503 146232 202176 178103 706214 395037 312168 258628 379487 566412 362981 537123 321622 78342 165261 74600 149762 152685 94551 161503 146896 186130 218467 239576 241189 359890 519914 549740 303732 114166 245408 103713 220446 98641 183033 82272 183880 240248 133748 225359 260001 283455 138990 190680 133174 133247 150919 142659 309281 140869 122248 228557 457243 172323 449564 116434 213129 184747 156625 157685 157651 oleic acid 5822 4935 10098 918 5270 4968 821 10587 810 674 3152 4796 4261 3817 3223 8327 1331 1665 2705 2744 1436 3324 2810 703 1788 1641 1917 2649 1360 1306 2096 3441 4735 7561 3908 3311 5816 6221 9443 1049 8626 6103 5882 4891 2714 6416 51693 7967 9001 454 205 608 486 484 428 1213 1379 1813 3088 2147 3044 2232 2123 1343 1410 7234 3334 6739 5042 3627 1487 9810 38329 2714 11137 30614 338 7152 3802 9592 4669 13909 4048 7013 5175 3397 5172 433 3582 3153 3565 985 1012 1335 271 361 3378 2486 475 2747 18694 18897 34513 20029 23492 27218 40655 8371 31019 20551 13794 10370 22466 15705 34735 14471 6724 15119 11318 26948 7316 12767 15759 16989 5413 11332 7124 3041 6774 731 36904 40384 41842 72075 42660 30954 26268 34158 22327 29487 33802 73140 31655 34040 20387 32424 23339 39293 34104 10349 23785 25536 18266 13957 18754 13629 12330 23677 15206 24284 6626 6805 16438 9589 37297 36959 37929 38765 1942 10921 1368 16500 30763 24223 26584 11887 16438 25091 17711 58827 38452 15739 20499 37947 52354 19180 39229 38806 8697 33094 26775 41394 14879 64783 23833 11257 oleamide NIST 457 159 311 413 377 436 323 323 551 580 324 533 245 601 370 568 330 161 418 351 278 175 225 191 167 196 270 172 145 158 302 453 301 447 377 166 486 430 345 375 382 350 358 389 448 247 173 459 378 194 168 175 340 238 178 144 275 286 173 228 186 424 493 315 239 773 230 671 399 272 224 404 365 139 369 233 183 435 310 394 779 395 125 257 168 128 198 181 365 306 329 260 169 326 342 263 131 176 296 185 3005 6222 5857 9524 7202 9733 8964 7041 6579 7304 17683 5356 16599 6831 7751 5547 5803 13306 2439 36073 6104 6659 7407 7117 14738 6172 7422 15365 5942 4429 8697 7642 7133 8067 7513 9632 8206 10429 6401 11918 10134 20380 11152 24032 7824 9254 11528 8902 7792 5078 6983 7403 6966 13523 8953 9414 9062 11138 22449 8946 14769 8885 9644 7736 5805 6166 6095 8016 950 5761 5732 11345 21332 13755 17941 9999 7509 9176 6246 7331 8861 8018 4690 13609 7179 7978 8247 11903 8888 11794 8994 11609 9612 9600 13699 13013 octadecanol 239 160 216 153 216 238 446 263 245 159 98 279 128 174 158 290 227 240 267 245 342 514 189 237 63 434 209 290 251 176 335 249 188 346 291 220 164 170 177 201 179 165 281 217 254 261 79 243 206 216 223 350 534 354 278 290 411 486 294 250 292 348 352 257 289 226 223 161 181 277 228 229 158 301 246 133 234 260 266 232 224 679 112 185 472 209 489 311 450 290 164 323 270 320 343 192 366 305 406 201 943 325 388 272 231 156 123 148 235 186 252 170 171 0 289 457 188 305 484 2213 319 445 193 390 130 366 192 221 252 348 422 262 387 545 257 281 619 131 196 174 340 336 233 224 197 224 200 215 415 152 303 335 305 227 345 153 285 297 296 359 134 222 391 248 407 389 271 523 515 267 390 353 211 353 214 283 1402 359 136 146 289 174 246 178 420 833 312 151 336 155 139 271 141 235 176 97 nicotinamide 50302 44065 52016 64687 71790 63384 67062 36512 44040 46476 37317 35925 58439 41794 44694 52406 35771 32835 41574 26163 28367 30500 43515 28307 42634 36317 36719 37353 41386 41003 22679 48790 39234 32203 28333 53488 54590 44490 46492 33513 40810 47816 23552 61891 60755 47153 26946 53123 54803 33020 37112 37992 37753 25990 60262 35457 20589 41054 41577 61866 58710 33735 39376 30472 26319 37743 44555 46108 55065 55485 68236 35104 41066 44150 35399 41993 37994 52028 62477 43282 40554 65861 59734 48462 38291 36208 45825 36375 42774 28656 33495 31606 27602 35359 27688 47471 27753 34759 39798 45805 1817 1564 1932 1579 3120 2414 1825 1906 1370 1941 1850 1853 1895 787 3776 3112 2783 4127 1837 1285 1260 1828 1622 1755 1069 1686 1740 1614 1494 1185 3239 6463 2558 1988 2193 2636 1495 2173 1237 2158 2717 1552 3183 2630 1325 3835 2595 3430 2191 1110 2289 1943 1442 2462 1867 2365 1620 2008 1891 1333 1579 1891 2163 1687 2123 3224 2641 2580 1834 1770 1357 2429 2183 3031 2343 1395 2283 3443 1161 2051 3180 1346 1521 1918 2656 1802 2598 1916 1606 1941 1000 4054 839 4040 2027 994 N-acetylmannosamine 141 141 150 68 190 188 167 164 204 187 109 136 147 116 109 107 91 172 113 234 135 114 176 234 169 172 33 222 164 77 178 99 136 168 157 126 123 101 62 95 99 80 123 145 116 144 105 145 147 162 87 127 154 134 166 252 116 120 152 162 131 108 253 194 146 154 98 86 91 113 147 76 123 100 132 90 86 198 161 124 131 131 90 51 134 141 139 193 193 276 192 200 230 190 242 124 149 156 202 220 344 465 395 389 438 313 386 235 459 290 458 291 415 0 298 395 188 236 374 484 331 470 362 373 288 413 370 245 246 324 372 519 747 438 214 145 358 336 379 385 407 631 280 461 428 398 244 248 427 221 498 324 232 399 525 396 385 280 272 219 74 103 259 138 381 243 188 829 161 291 253 386 296 172 317 262 626 359 212 495 212 237 199 506 532 385 366 204 279 171 273 425 287 486 240 275 N-acetylglycine NIST 99 181 104 137 135 149 70 101 161 82 50 159 159 186 253 259 207 101 181 137 165 100 128 212 110 239 326 143 165 97 191 154 71 45 217 207 114 137 102 169 109 161 153 188 97 141 152 100 170 130 172 242 250 194 151 99 112 204 280 207 361 145 277 193 342 192 134 139 186 104 211 170 104 218 187 57 176 155 321 99 96 124 327 109 168 183 135 263 116 153 177 56 198 188 185 178 243 191 249 252 1325 1514 755 1018 899 952 1198 1300 1052 1331 1088 1496 1267 0 1109 2594 1825 1583 531 922 1751 1347 1182 936 2102 764 1556 1001 1371 1793 1936 721 529 2012 1179 864 1670 1293 1158 678 1612 364 1035 855 880 1408 1047 1873 3671 1648 4644 2441 514 1155 851 1262 939 2360 904 2152 826 1397 544 1542 1388 1000 2859 1111 1376 1405 1246 954 1156 1410 897 672 1018 1502 1209 1221 1028 1185 511 893 1134 1273 938 1087 615 838 368 758 905 1848 1103 1176 N-acetylglutamate 588 735 1659 433 3352 2730 710 910 1136 563 251 2973 1653 3009 2229 435 1054 624 2438 227 662 4393 1144 876 1079 416 1522 2031 1951 1771 2094 477 1074 1100 671 368 2118 1074 534 886 410 454 1096 331 5600 3819 411 992 398 663 3295 573 844 1355 881 1063 1309 599 656 1998 584 2658 1654 375 2391 481 2974 272 451 3401 2395 47 267 755 603 316 4883 422 1658 283 146 361 574 851 478 628 2246 796 1173 1391 787 1520 1511 948 277 114 969 453 3881 506 173 128 119 324 229 156 157 156 120 116 313 186 306 0 186 237 313 433 257 732 316 254 227 325 353 267 181 351 320 314 184 211 188 205 190 171 110 167 173 146 193 132 193 189 146 185 182 213 144 159 230 187 143 191 211 187 160 160 340 235 238 242 148 307 228 158 186 134 235 251 189 212 154 187 160 226 232 219 253 142 149 257 262 162 194 120 238 54 423 248 135 255 383 317 183 77 N-acetyl-D-tryptophan 87 78 49 78 58 83 62 51 99 76 48 63 79 77 80 79 85 96 170 79 143 169 55 131 98 112 107 197 126 115 120 87 86 88 97 112 100 73 60 105 102 49 65 72 64 106 130 101 78 82 90 117 160 162 78 90 173 54 68 87 134 93 157 127 74 135 106 80 64 69 62 63 37 84 84 39 93 77 129 94 159 65 75 61 97 87 103 87 97 144 138 156 160 154 93 117 117 149 121 120 836 1000 876 934 1198 503 789 860 852 820 958 1017 837 370 846 552 349 587 361 594 466 386 384 390 342 636 434 671 465 315 693 336 429 987 936 454 820 606 778 417 589 328 484 346 501 549 280 632 1071 421 1718 1416 634 293 403 437 717 1265 384 968 220 226 730 200 522 431 792 515 318 590 406 407 566 1006 263 456 419 803 1019 1132 1303 756 832 1084 1013 674 1036 725 1678 845 959 959 949 1090 1359 1605 n-acetyl-d-hexosamine 3101 3616 7698 5341 3495 3169 5918 3880 2599 2029 1323 1803 2753 1253 1462 4367 2451 1985 2138 2074 1513 2750 2365 2656 2656 2298 158 3632 1696 2469 857 4892 2563 1719 1449 2273 2372 2311 4942 1973 2303 2814 621 7774 1540 1517 2204 2655 7190 3028 1880 4430 2982 1330 5765 3407 1505 2606 2526 5755 5873 2035 1459 2204 1783 2177 975 3172 4688 1356 2241 3214 12473 1806 1485 2630 714 3405 1851 2081 1134 4617 2122 1993 3931 1643 2854 3935 2454 1328 2354 2233 2410 2839 2072 5002 2205 2234 4678 422 139 103 194 166 149 129 300 151 250 91 253 127 240 0 229 286 176 162 151 576 239 246 134 279 180 278 171 317 191 120 310 209 461 113 295 202 190 194 229 155 264 344 152 118 156 193 215 160 232 115 199 394 230 209 179 124 281 248 290 247 148 104 255 267 409 264 309 314 247 150 202 200 314 209 216 226 288 302 110 292 300 228 218 244 89 125 289 257 218 182 199 195 248 182 83 208 N-acetylaspartic acid 332 230 149 419 148 204 181 182 166 306 317 251 147 221 208 221 627 313 369 431 304 243 165 285 268 314 277 244 319 374 451 316 295 417 480 342 177 332 255 374 209 281 517 255 270 966 366 317 205 246 255 152 417 397 191 210 229 382 487 311 354 312 293 414 345 257 265 154 239 546 593 267 135 260 278 193 521 144 581 174 362 221 417 201 417 901 349 339 244 481 102 264 169 276 315 250 474 574 309 535 1269 891 3778 1245 1459 1357 819 787 1098 1250 1725 1128 611 0 3229 7993 2330 2167 3424 1822 1207 2735 3780 1930 999 1588 1298 1739 1690 1282 2994 4022 1600 1986 473 1548 540 892 1283 1691 747 1186 540 968 756 1511 570 774 2601 3416 3276 3149 3088 2029 2076 2623 3704 2973 2147 2893 1420 3341 1713 2071 5324 3307 4203 1786 2543 2171 3013 1691 1686 1871 4066 5763 2884 3878 1242 311 6068 906 649 1352 1260 855 1818 897 1023 997 1161 1654 720 1367 673 544 myristic acid 1047 458 982 1177 1240 1257 970 1246 896 1011 657 603 795 770 814 1108 3153 2829 2771 1927 2110 2570 2614 2764 2252 2289 2237 2569 3164 2534 2355 985 734 1036 487 1002 494 1148 970 865 896 742 685 924 701 762 4275 1468 1050 2191 2587 2726 2034 2300 2285 2625 1194 2573 2147 2888 364 2505 2530 2055 2064 757 884 535 847 1093 778 1000 1353 1091 1300 2303 788 920 1451 874 624 1354 824 919 2175 1808 2665 2042 1838 1939 596 2252 2648 1960 515 1700 1484 2178 2384 1848 6607 5281 11349 6852 6754 8885 13404 3046 9817 6055 4483 2772 7456 3668 8810 43379 21505 34844 46727 46852 22957 57352 56784 72273 24170 38181 24444 16056 19872 33316 6329 7032 6014 8865 8918 6424 10372 12009 8567 9748 8940 12717 6408 7809 4384 7298 5499 9642 54944 50502 59275 56245 59322 49224 66611 48644 40452 59135 52820 57358 31911 31768 42721 45711 48077 28450 37283 25264 75996 49134 41192 50975 32690 37142 26125 22295 22665 39123 3465 13495 8911 3430 3471 11684 17062 5301 14302 8486 1692 8925 5507 10572 3178 13762 6315 2769 myo-inositol 22025 16682 12614 19183 15732 20998 14732 10047 11620 17682 17484 17297 12485 11581 14991 16233 31563 24439 28582 30105 16611 22994 17834 23087 28255 22142 26378 32238 55600 37309 25674 42672 41228 69051 58512 45674 43398 15875 10954 24750 11931 32324 41728 44485 27265 95330 34096 45875 36433 32208 27731 28347 29189 23921 22805 18423 16621 24303 39603 27663 43909 30355 21009 19595 18957 28239 22061 20215 25045 46742 32498 12052 10317 45604 11050 19094 27922 25318 28673 20489 23197 24121 18498 39559 36700 47911 52952 46280 55507 54488 24431 20771 20908 20961 40604 33890 41769 70420 49350 51975 30494 27180 53726 28040 68437 29261 21548 20057 26179 32332 40327 24393 29299 25022 46380 128057 27758 119630 60861 73667 39293 50504 52452 48956 30654 62226 62399 103740 44974 45657 110959 180838 173286 64068 130739 166125 20270 32288 30644 35959 98666 168859 108550 173174 126200 124099 168254 98297 80678 41285 77949 68077 64777 66866 45977 50952 56158 49431 53172 46823 37136 44196 55970 38310 101005 189802 79277 187019 50497 39652 52909 60107 143304 101497 144450 128533 146161 142746 29806 49682 63923 41301 48017 33101 39387 42244 42569 41405 43154 54210 35843 92309 47969 77308 38680 44028 methionine sulfoxide 2362 2059 2311 2947 2667 1625 2684 1665 1876 1795 1396 1655 1729 1139 2286 1706 3360 4448 2729 12818 7415 3876 2255 5769 2207 9442 2599 4643 2458 4023 11893 2689 2303 2367 3197 2726 1817 1538 1511 2553 1457 2106 2169 2600 2981 3516 1787 2537 2748 4235 3223 3418 3770 5736 4965 3233 2384 4982 3476 2963 4795 3394 4511 4047 33468 2352 2056 1863 2475 2748 5281 1767 3789 4078 1359 1147 3202 2591 3319 1688 1785 1939 1818 1412 5211 3067 2346 3170 3284 2676 9192 2315 3033 5638 3525 2664 4111 2246 4691 3327 24561 19805 30151 44118 26049 24596 24907 22446 31575 18013 18238 16233 13290 19302 11165 27063 46670 94690 39797 55003 34415 30340 33872 82847 17136 37470 51548 31966 44321 76117 15936 15073 17826 36962 38589 19714 26899 51167 20335 36796 12638 12131 20799 6920 20569 23200 19548 17261 17005 18535 15184 24546 18997 40962 33852 59703 33529 23558 9487 37718 15885 9583 16103 15604 28188 17862 19221 15737 36242 18412 24013 30642 9374 5366 18079 9512 17742 15771 19467 13717 53444 18295 26255 25675 28799 39557 40173 18679 43509 48448 23217 45192 17986 34977 49643 36910 methionine 2834 3002 3454 2910 3240 2595 2989 2093 3198 1843 3198 3129 2869 2334 3036 4363 14245 10142 7637 23586 36034 7128 8473 9418 8632 31281 7117 10083 10844 17128 56134 3556 1804 3700 2512 2576 2675 2596 3108 5149 3512 2763 4687 4344 3458 2974 3112 2145 4897 5511 14338 7530 6128 15334 15028 8229 4671 14292 5847 6012 8348 6476 12175 14297 167303 1845 3292 3082 2791 2099 2345 3830 5826 2663 2283 2903 1070 3414 1416 3136 2706 4067 4657 3495 7032 10982 6364 7827 7363 7090 23151 6749 6509 17499 10798 6561 17508 7813 5174 6848 98341 76761 40186 94578 93303 99846 78786 121644 63024 85713 109997 91578 96696 93358 64599 18952 108242 60586 60701 8122 117603 102572 67872 34779 134612 72635 142822 240106 188958 105857 48990 69565 39505 29537 18576 79933 71261 48195 81388 86562 71763 58244 72957 75583 99205 103078 100997 62343 35286 139303 42378 28887 127855 54484 44719 67191 64785 47577 140021 51221 178900 175316 83299 166749 36983 59928 61120 52432 57262 104432 78861 85063 51113 62743 81115 21888 107402 70124 125040 35093 9455 107735 105554 86007 34864 23132 19016 81925 100731 49097 103085 15507 121387 15958 66510 103121 methanolphosphate 23205 13533 20729 22872 24077 26370 15983 17911 15583 21111 18972 20753 17402 16106 22864 17736 12824 18800 18935 9370 11036 15860 18423 13128 10639 13610 15190 13785 14642 15221 9513 17450 17623 20882 19866 15687 26015 26903 16779 19582 19831 12833 18779 17400 18402 14398 43020 26061 16158 16330 11738 14347 13748 13396 13433 21242 15808 13881 14024 12669 17215 17329 12693 15077 10117 18647 19358 19677 21484 23414 7997 11880 9677 25570 18438 15606 19384 18510 21713 20215 23380 23071 12957 19654 17544 12627 10851 9559 14945 13620 15328 16421 13875 15562 14374 13316 12536 11801 21437 11503 4347 17358 20779 6741 19789 4168 23510 3418 17386 5104 12090 10998 13383 6912 12345 9583 8053 9957 10788 24026 4671 7895 4336 13765 6937 11057 12041 2887 3726 10525 9135 3557 13172 5524 14455 3635 17901 10980 8648 5536 9538 18515 4031 6689 1468 2486 2682 3783 10165 10645 13811 16937 9617 9606 14434 8474 2472 3450 5365 2390 1385 1044 2748 7698 12725 12967 5861 14916 8898 4020 6260 8156 5646 10013 8338 3511 1576 2335 9017 14365 15883 13509 4397 9821 14668 5605 19764 4094 18721 3025 9690 10493 17983 19609 15048 10399 mannose 97931 92698 230503 113139 83125 99183 203662 111416 79895 83893 55260 58088 66272 40975 40849 97560 76140 66238 74558 47827 57628 74211 91640 71071 85478 64064 72554 83803 60058 72803 25568 117300 58631 47102 45881 61245 65848 71404 135663 70370 59675 79688 25326 148307 55349 44621 56909 77337 196618 57635 46887 74451 62880 38199 86073 77606 47004 73306 66181 103100 102257 44068 44481 52278 26044 59027 44597 92747 114893 59268 78783 95991 323776 53607 49570 76389 30653 86572 68878 50642 42048 112785 59354 54445 85715 58590 71616 96488 62959 53466 82400 67641 62216 72558 57193 86352 64631 62757 92454 94609 27243 25997 108640 27487 38069 43315 33665 18008 41666 34878 27515 23992 23583 23379 63182 171767 28662 27559 49859 46650 33512 43358 44452 92048 31432 54747 51581 56683 61743 44449 106429 36948 65151 115509 102122 37736 27571 30840 32876 43174 104302 59197 90589 45080 31319 92600 35127 101329 103044 28480 104624 89317 40048 48088 66592 38503 98795 96341 34297 92794 28573 23416 63168 23981 109202 66125 87899 62053 61903 38200 44707 56894 52204 90610 56619 86586 32494 117056 15299 89962 81282 23103 26508 46885 72467 142532 61403 69572 14027 60581 21549 85280 21155 89467 16928 17334 maltotriose 9478 15984 46423 24793 9222 10957 33559 13483 11225 14164 5210 7409 7218 5468 3523 16134 10057 6259 10799 3710 6617 6233 14126 5515 9798 9357 7686 6832 5426 7045 5888 17879 9073 7798 3261 5582 11205 7397 18484 5796 7197 20407 6561 16231 10146 8732 16272 18912 27436 7694 5453 10972 6939 4003 9834 13113 9584 8325 8303 21135 23543 4584 8061 5391 9428 12508 17992 19912 27816 14825 18267 11783 45890 2560 5579 36661 13228 11776 32358 8335 11452 35467 13839 10904 15873 8751 12812 6445 10269 6976 7302 8103 4237 7784 10162 12636 7555 16992 17060 16383 93 79 91 85 119 104 93 55 152 43 100 74 108 0 114 157 122 123 127 473 167 108 122 105 40 110 100 103 98 100 100 57 91 108 94 91 95 57 89 61 102 91 144 72 93 62 40 96 99 72 91 140 68 108 101 51 72 150 103 84 50 63 141 54 136 142 71 128 148 97 66 202 87 109 134 102 50 92 41 122 74 63 109 89 64 119 95 97 104 71 77 109 40 93 70 59 maltose 1 19503 137086 587804 269285 94682 121028 337609 139627 108538 117228 44134 69739 84310 10374 32438 174847 99520 78249 101284 37060 65277 74735 112992 54522 103208 74253 60994 72374 65345 70888 46993 219787 93587 68544 34380 69760 25616 80626 220824 63412 53252 207680 46646 260367 34803 106250 406590 42335 425866 64905 56399 123785 66582 52395 129537 105561 73046 102760 73540 205061 216818 53076 72737 53254 71851 106513 34985 167178 266089 128433 207219 121046 654935 11074 44321 997641 76400 28085 299974 84195 97317 312854 149029 112617 136306 66906 130380 98113 94448 84227 76359 91427 50768 63937 97224 123590 94779 130121 153639 152015 1148 847 1523 1360 1341 905 475 680 1035 1200 949 1007 905 0 787 4172 711 4998 755 1470 1926 1232 849 1338 978 1013 1222 641 1211 1132 1017 949 3959 531 808 977 879 864 619 1197 856 1072 845 1054 1173 1004 906 1075 1286 562 1096 270 669 780 589 778 865 418 586 1535 1085 375 1170 411 1180 1758 645 1729 1305 716 675 742 531 785 808 632 3599 857 437 1082 1058 833 722 957 961 1093 936 1060 973 920 614 893 820 1014 848 636 malonic acid 96 97 65 48 107 68 80 83 61 150 62 82 78 115 82 65 112 59 142 223 161 222 80 121 139 71 126 198 102 70 175 118 92 135 156 180 147 104 37 60 95 113 119 70 91 315 138 88 85 119 114 109 147 235 98 93 277 97 113 157 134 133 229 143 205 88 26 81 152 291 464 106 39 294 89 62 314 101 556 105 97 62 146 68 248 157 87 140 86 118 133 146 153 141 107 101 174 148 192 101 121 107 75 174 203 128 104 82 142 31 208 142 215 0 119 242 74 136 204 623 134 135 159 287 164 267 211 242 126 108 93 86 151 242 102 79 149 75 138 96 170 119 154 97 133 94 99 86 85 179 271 170 213 150 186 180 191 121 93 38 118 85 126 87 188 139 159 167 293 108 137 174 33 314 145 138 130 189 95 100 184 69 115 116 141 110 27 157 139 139 112 174 123 101 106 149 malic acid 31133 26069 3305 14950 14858 22171 9054 25380 18124 20038 34425 13780 20477 27816 20572 14621 40346 28235 30918 28231 16244 27626 13725 27138 37571 26329 36973 35190 36585 30667 26649 36280 49863 47177 25371 43746 32076 32144 24689 36775 11451 23840 52350 14413 34726 68220 11380 50306 9287 15489 39964 11293 16010 29503 7709 5185 9540 16030 13680 7942 7796 28716 15012 11633 18376 16342 22678 16633 14562 35127 37365 19308 8085 25539 16847 11690 45422 10142 36926 8769 46280 8125 24262 44091 21526 46502 29668 27022 17293 43822 8957 19754 18888 8858 23547 22519 27549 34516 40663 9478 13831 7908 6966 12115 17954 7934 5530 11228 8768 6945 12485 12395 9705 12308 9161 9410 20419 26180 14604 11828 10292 29718 10613 7810 13924 15071 15293 12712 6747 10359 14296 16359 11743 7105 14574 10237 7554 8302 7719 5762 8747 6763 10059 11543 8313 8469 11020 8412 6886 13424 14282 5976 16157 10205 10652 10311 8856 11949 16237 4892 8685 12876 5792 13461 7233 15669 9887 13418 7526 15470 16295 13139 14597 9936 12195 10981 15013 9194 12755 6143 11811 9072 6610 10005 10528 2539 5960 7965 18430 9511 12013 10181 12128 12932 10869 11657 maleimide 1019 818 902 1041 1169 920 798 882 733 1195 897 1031 1020 979 874 969 2934 1464 1677 3851 1740 2006 1044 2642 2020 2661 2922 3068 3547 2985 4403 1033 926 1763 1172 1228 1006 906 810 1652 1057 976 2325 1269 1126 2199 1334 1383 982 3138 1983 2132 2682 3308 2601 1743 2681 3256 2435 3061 3448 2945 3449 1892 2285 2457 1249 1248 1223 2047 2105 1034 570 2002 1599 1002 1768 3729 1988 2834 1516 1110 2218 905 2659 3076 2857 2170 2311 1910 2896 2444 1629 2528 1877 1762 2515 3601 3015 3167 9638 6487 9547 20122 8497 34938 9123 17365 10422 14996 11939 9616 9863 4961 22866 4787 2670 3851 7456 18417 12468 5814 6533 8981 3310 7548 5407 29516 13066 2026 7819 20218 10188 8409 9421 25732 6612 14585 11633 38475 16042 7635 21932 13780 22198 47002 34652 22819 4241 3764 7162 7195 5413 6273 10658 7791 16045 20579 12678 37373 3424 26130 26236 10508 2330 5582 4596 4584 13202 8748 10883 17231 11258 13254 9963 15474 21483 11495 7225 10303 10905 6151 4637 18601 16871 9685 12692 30413 4011 19942 6503 16706 7416 11572 6911 6261 lyxitol 916 851 2932 1343 700 1094 1407 1348 793 783 482 768 519 3469 2836 1206 1133 887 1128 621 719 693 1431 880 842 4301 819 1149 666 915 471 146 2106 674 968 1004 695 755 2060 879 684 1534 631 2709 4954 3883 613 1101 3750 964 654 710 1123 520 1489 142 520 1239 569 2513 340 828 805 623 2890 737 2958 321 1294 1804 649 1337 10296 1463 628 933 7472 1158 1860 618 518 1509 390 531 999 368 920 1332 863 709 949 820 495 558 2313 1371 969 979 251 1324 84 746 1153 864 1119 600 712 627 668 698 859 760 663 0 2540 1494 548 711 839 1032 705 820 734 980 412 996 680 7486 785 2360 971 912 22748 1029 1022 17566 873 696 809 567 784 997 890 985 883 784 8973 877 1675 403 1029 938 524 2878 674 675 3582 3473 511 764 2507 2540 625 440 8526 28224 969 19714 960 2776 759 898 780 970 1012 731 15891 6019 651 401 634 830 852 3018 865 662 800 747 1243 745 3141 882 900 788 740 726 lysine 8249 8668 10270 9586 13289 8704 7739 8965 16839 7272 12537 8041 10545 13693 20626 8875 14856 20579 10985 23131 35434 13574 14137 15920 8894 50637 11163 18940 12024 23946 54109 8574 6197 7860 10353 6102 6714 9590 7938 9674 7678 7180 4712 9932 13083 5340 3541 6772 7486 12321 20724 15878 12356 29806 12625 13773 9255 17653 10685 10776 12247 12617 23713 18969 242764 5711 8405 7770 5723 9784 11969 8482 7980 12019 5549 2719 16612 11589 8530 5277 7225 8381 4534 5466 16554 12491 8742 9251 11616 9340 44461 13585 8168 22088 17483 9646 21923 8905 18731 9573 621524 352493 337325 652079 237157 949260 423610 495082 266363 501373 337227 342256 378740 409443 238302 171227 149022 119144 189652 193910 299281 178604 155546 240298 302182 227599 318377 810224 661989 333319 170757 308263 152370 211117 166560 662643 366150 457818 436131 955155 257636 142499 407109 314287 702726 835594 519146 413392 111443 258756 116470 111965 148583 188941 185286 196440 444635 396712 313667 562121 699730 686567 971615 521282 174639 170581 249692 156896 249413 330207 144795 189135 147576 147240 281328 523306 782651 258981 284362 136066 113256 337353 277547 390649 131352 280794 149831 735920 396148 575304 234035 215793 242074 132853 194095 285696 linolenic acid 4521 3231 5019 6966 3377 3082 3828 3108 2513 4121 3287 2686 3341 2398 2678 4546 2011 865 1643 440 490 1541 363 1471 1605 1277 271 951 1718 1880 969 4198 1131 5386 3664 2648 4207 3826 5448 2838 2706 3430 1774 4710 3009 3461 16932 4899 6846 2105 1307 1858 1030 1466 1366 1211 506 1778 2087 1323 1182 269 929 1500 1018 4847 2963 5577 4059 3980 336 2960 12233 2187 3487 11522 1423 6026 2196 5912 4237 7495 3337 4975 434 2200 1710 1696 2414 1542 466 377 376 1161 1937 1760 1720 1592 1921 1562 4768 11672 6488 3243 4104 10039 7208 2323 11583 2703 5455 4109 4550 5392 11089 8846 2240 4599 6628 7972 4193 7166 8201 11436 3755 6487 4812 3175 4847 4529 5430 11502 5751 10085 24003 11069 6670 3969 3684 8936 29023 18451 20305 13139 3366 10838 4907 5208 15461 6184 11226 11756 5722 8351 5929 6437 696 13420 4785 12460 2149 4396 7957 6098 19144 12786 11571 7230 9780 5970 2884 5232 9695 11100 11098 6041 5265 7758 5096 42604 26531 6049 6364 3858 17173 15874 13348 30775 3205 23418 10531 8574 6358 44701 7130 2292 linoleic acid 4050 3150 3714 6786 3023 3046 3653 3730 2997 3744 3087 2364 3042 2406 2545 4445 1611 1232 1545 1097 1135 1403 1270 1336 1278 1124 1189 1341 1523 1830 1274 3760 2993 4892 3336 2403 3960 3324 5239 2700 3094 3175 3138 3971 2853 3124 26472 4497 6479 1904 1137 1679 1702 1277 1014 1179 1200 1472 1683 1142 864 768 1103 1322 948 4563 2684 4795 3421 3687 1494 3293 12332 1904 3116 11401 1426 5379 1539 5786 3754 7312 3211 4539 1457 1931 3153 1507 2160 1579 1305 905 1093 1076 1855 1284 77 1489 1691 261 18331 8418 27067 14382 18284 22321 27145 6072 26869 14891 11870 11716 16076 9999 20021 8883 2337 2917 6262 8266 1778 6950 7737 11111 3346 6293 4639 2626 4394 4029 17614 12738 13886 54944 23573 16936 16200 22500 14063 18723 27864 25236 12962 19315 7732 20343 13501 26896 14885 5617 10163 11641 8598 8405 7898 6422 6030 13311 8058 11356 2315 4411 7960 4783 18660 15296 16662 15106 9146 5636 4266 7459 12810 10745 9363 5763 6178 11562 14865 43363 26641 12625 15984 17507 20569 16265 17783 29264 7296 23470 27281 19749 11634 42922 15289 11278 levoglucosan 1270 1973 673 1208 1689 1138 1166 1058 70 1655 931 659 762 669 736 196 1472 1036 1418 1458 1334 1157 1176 1314 1311 943 1410 1364 1151 1009 1139 706 588 789 640 1917 457 616 821 1412 1532 644 574 601 485 807 1354 517 721 1288 808 1283 1837 1343 1073 1229 1650 1645 1969 1101 1494 1200 1119 1601 630 833 745 1042 1135 728 777 1110 514 1258 1302 1707 554 1097 873 1484 777 694 1928 372 1073 756 598 788 884 1189 1496 1289 1380 2020 741 1516 1150 1183 979 1138 394 732 434 526 708 353 610 447 665 530 508 446 402 0 738 911 398 846 623 795 426 417 597 728 273 654 627 764 483 424 779 482 400 279 449 247 367 505 587 296 319 376 316 365 240 475 258 226 574 349 654 482 620 611 680 438 794 314 457 308 347 434 221 449 692 538 408 403 429 452 522 700 445 692 425 396 268 448 385 332 466 893 646 476 404 464 402 319 812 545 502 727 461 532 543 481 leucine 101112 98572 110841 93361 110058 83251 72188 89721 130044 63277 112000 81033 108037 76200 131618 103801 184270 161061 129402 153257 85332 108365 101005 142189 102970 177565 97641 136573 119944 119974 184909 108193 56421 71818 112323 67349 60409 86423 77547 92389 77808 78122 93755 104448 102640 88130 103478 77138 105590 107332 134987 88523 90627 130270 141506 89701 89035 123815 96355 135876 102563 113391 118857 104964 312086 76744 130633 87022 80832 79170 100545 86137 98352 112161 84272 65225 102605 89194 74626 84493 88129 99085 100592 70848 108090 113528 89090 108511 88657 91318 116316 100615 91843 104023 76189 98220 66612 101246 97057 106983 696757 948962 558293 886004 415487 764107 735964 1037472 686028 877817 749747 996361 815409 1083537 649822 490297 1107846 821970 660807 407823 964173 697198 602403 514598 1156090 686937 947660 1087771 824647 1033757 529582 478697 422782 702264 466438 630577 856396 706117 771462 892505 560866 486262 517893 563742 732055 855314 773076 643779 326763 925591 377353 414641 808631 679517 638317 736581 617257 515694 934457 566743 1300298 1262351 746242 1043944 358640 447353 541781 432387 657737 738988 664491 549562 507049 494265 616031 647351 899070 514735 627498 483104 467534 699718 645092 674708 585301 666302 571103 647998 960331 717737 622713 471273 641596 423437 601190 723634 lauric acid 1993 1417 1398 1682 1981 1836 1817 2141 1556 1887 1562 1914 1282 1450 1586 1434 9799 9995 7317 4534 6469 6750 5184 7358 5025 5824 5376 6158 8349 11526 5871 1969 2260 3600 2549 1669 1094 1645 1305 1708 1292 1770 3686 1852 1831 5011 5410 3425 1896 8651 14525 7149 4309 6689 4073 4740 4584 4121 6714 11171 8792 8405 8375 4062 6793 1929 1797 1400 1775 3012 2047 1566 1242 2872 2219 1672 2445 1983 3322 2738 2165 1662 2046 2319 4766 3725 7647 3266 3672 1547 4116 5285 11567 4497 3247 3126 6770 4736 5763 4436 4842 4292 3533 5662 5762 5598 5596 2426 390 3663 4262 3576 4129 3890 7724 455545 281944 412418 440175 411627 264102 551747 576334 722653 292339 336501 316502 213708 236444 402239 12341 81367 48718 18896 15169 55771 5554 6096 4646 5658 14018 153526 16083 60757 35441 15102 43859 17273 426163 743211 522956 444165 829735 531520 568195 472990 357895 523003 734087 497532 455109 449754 355575 656288 464076 343073 379307 274848 743180 545861 480757 434061 358768 279903 279855 235095 152111 340522 3027 8591 7691 4082 3799 6815 11036 5052 7850 4933 5236 19588 3943 9378 3398 8969 3904 3850 lactitol 326 120 796 420 462 327 345 483 304 354 163 229 312 256 158 567 233 388 398 169 197 271 273 362 279 306 303 157 352 240 223 634 332 183 69 177 459 428 626 138 67 459 98 687 150 312 380 476 964 356 214 298 204 346 503 161 339 336 106 496 640 290 380 152 154 186 360 465 544 407 727 295 1929 265 245 895 175 425 501 195 337 798 386 435 421 379 334 183 432 360 258 180 184 268 399 201 313 278 284 446 104 89 161 66 48 91 110 80 149 108 127 38 154 0 154 227 69 101 241 306 140 88 170 171 88 97 151 91 98 123 103 170 165 124 162 130 159 92 130 54 90 132 136 169 67 110 60 146 142 71 120 112 100 150 146 171 149 143 58 126 43 54 109 107 188 180 91 150 246 80 125 191 127 188 215 99 133 201 71 127 119 32 142 102 173 228 171 96 299 109 140 149 103 189 102 150 lactic acid 187843 173583 309651 125005 270364 347258 152016 248335 248380 199354 213547 326158 260157 198236 221578 170287 170847 265849 338741 199650 122793 287949 254113 203855 237054 268232 199196 310277 220688 192099 193019 257114 204848 172205 131888 134711 192389 287798 236556 223030 115288 151556 196377 106332 271746 184651 131297 331860 150835 152122 184006 119340 205252 162169 185147 154508 183629 116059 119299 254335 213180 140245 202826 135214 56089 154541 239791 199633 160256 325071 242127 212746 105789 162228 128407 133095 204025 179408 268979 152570 274913 186784 252271 193348 158515 95322 146489 146259 197475 225562 206029 299874 249314 228903 139802 180311 128678 96971 141532 156743 669647 590363 937666 629032 849757 797800 740092 367035 762491 729019 592572 546694 871533 851465 727297 1285472 631531 766393 986566 818908 848735 911148 961035 912150 635486 1052703 817140 655741 749074 867124 811270 406016 939181 799370 938665 594566 527808 549950 507747 530543 828103 876990 824732 705059 624997 513811 579460 644374 1039349 678284 708671 846856 792811 931376 690785 876921 925837 959356 564182 645715 372742 424518 609830 491284 843888 983137 798030 828886 948861 782528 776345 908845 836717 862027 696070 672456 529154 645145 544749 751986 786352 562841 657742 639714 773574 1140355 916306 652762 687792 670855 537400 860656 644863 855628 811351 657915 itaconic acid 2920 3878 4371 3753 3366 2277 2726 2377 1007 3434 2299 3497 3211 2441 2569 2346 5483 4642 6434 7576 20036 8892 4490 7295 6665 17201 5342 7272 6802 8787 40754 4421 3981 3209 5037 7122 2943 4175 2039 2735 4195 3168 64955 3951 3563 5399 3509 3745 3822 4551 5940 12530 7872 17472 20346 9480 5921 9176 6264 4527 7167 5878 2218 8949 136798 3446 4529 2322 1147 4800 5081 1893 9765 5423 2935 5070 4532 3572 6007 7144 3371 2998 9295 2870 6891 13434 5881 6853 5347 13357 24081 4581 6340 14402 10451 5265 13726 7299 8797 14753 4704 3362 3404 3733 3505 2809 3082 2773 2989 2089 3343 1776 2909 2894 2316 5166 4281 5279 6923 8814 4286 6375 5518 6887 4156 2125 5656 11211 4642 5101 5330 3689 5038 9788 4679 2967 2605 2830 3401 2671 6127 3710 5948 3884 2439 6132 3302 9086 17765 10818 21934 17573 17789 6600 6956 6070 23512 15562 12841 13224 9084 10101 13130 9386 9680 9213 9292 5959 8708 5279 5475 6558 10952 8317 7601 10495 10784 8943 6120 10021 8329 8185 7341 3297 3577 3480 4467 8771 13714 6372 9082 7232 7038 7884 6399 6090 isothreonic acid 871 659 679 652 728 681 632 665 527 743 564 627 552 664 526 453 360 488 416 625 559 564 477 677 429 378 425 511 578 367 592 432 618 469 471 96 676 646 534 721 537 444 594 427 480 603 328 747 425 512 515 342 587 337 462 452 514 469 405 567 535 529 501 448 503 620 382 541 476 594 562 558 382 613 668 350 676 613 713 463 742 405 487 487 487 448 507 319 494 561 537 505 556 561 448 394 447 410 596 428 1768 1206 1690 1322 1803 1087 1387 895 1429 1321 1792 1291 1521 0 1463 2252 1159 1077 1876 853 1533 2238 1997 2570 1222 2406 2071 4364 1150 1282 1468 1061 2222 2176 2052 1601 1153 1199 1494 1278 1659 2093 1757 1431 1187 1438 1343 1258 2287 1039 2615 2451 1975 1543 2150 1837 1825 1833 1241 1979 951 360 1242 721 2221 2184 1866 1479 1012 1303 1456 2058 1876 1927 1722 1787 1230 1811 1194 1714 1501 1562 1542 1321 1414 1276 2007 1676 2224 1455 1771 1673 2089 2057 1061 1497 isomaltose 281 260 375 271 474 280 99 534 380 385 246 268 204 301 191 286 276 303 360 143 313 591 269 281 183 287 349 240 170 253 238 319 261 169 256 264 316 337 401 290 381 376 145 294 125 202 305 300 221 384 185 253 199 243 309 362 353 174 252 355 286 328 101 385 140 350 199 167 207 178 254 404 392 254 364 279 255 243 407 223 297 170 156 275 353 239 148 268 286 591 316 395 334 467 356 521 253 298 291 312 226 146 148 252 247 257 212 174 82 177 163 138 173 0 165 202 95 151 125 847 166 135 157 197 106 199 200 244 256 107 115 174 205 140 97 261 124 158 226 331 123 79 217 115 160 316 226 168 200 122 202 176 149 155 193 124 288 186 137 260 262 138 146 110 168 200 108 187 352 163 217 189 94 177 148 140 198 193 112 121 141 156 147 242 115 192 108 364 158 190 150 147 149 169 104 166 isoleucine 48806 44008 45071 43138 45287 34599 38014 39828 60032 31243 43919 29101 43844 30065 53399 41525 74304 77139 61234 67472 41424 47759 51457 64177 39090 74665 51758 56023 50321 43150 63046 46518 24767 26839 53440 37572 24124 44346 33681 38931 32694 33830 37350 44079 41656 24080 45558 27427 40732 45688 64164 37692 48175 52447 67546 47776 38091 51477 45334 56544 38644 47998 46985 43533 87484 33152 49016 37990 33737 34006 25597 36645 41156 53451 37391 28565 42901 37864 29997 34552 25930 39818 36812 24674 45339 49862 33943 42843 34772 40398 53341 46915 34531 44907 30722 44786 36357 44019 35468 39812 366241 443108 260425 376202 371431 234807 334775 403761 337374 365622 337752 462393 426124 543944 224946 232770 516316 396478 362828 218570 456033 337104 288980 256631 568255 395372 511486 369365 344547 485716 230302 204675 227103 374604 197913 252315 394961 307924 325629 230903 269214 274250 219804 227683 230011 226885 234270 228519 158296 408373 207557 203886 405944 310029 298246 349055 208095 180888 470489 190664 353421 414614 198075 430342 188135 267645 254095 292550 313953 337018 337448 254043 256180 205874 261746 229140 258472 189781 322035 220529 208428 301965 293827 283293 245656 290183 264197 188606 478637 187495 278911 181050 278757 224184 264284 311189 isohexonic acid 1475 775 832 1120 1750 1473 201 342 534 1221 806 1454 1242 1073 1378 306 1826 1329 1309 1265 945 1509 1160 900 1544 898 890 1378 1796 1386 1451 2115 1716 2013 2637 885 1589 1338 954 1187 824 1012 2157 1776 969 1631 1690 1714 1473 1434 856 1384 801 1287 1304 940 1020 1178 1419 1078 1332 1583 1006 903 892 1007 498 668 932 998 1386 606 558 1154 828 628 1340 1108 989 544 363 969 741 1554 1576 316 2983 2135 2042 1996 1093 993 1217 701 1503 1353 989 1340 2899 1726 381 89 593 442 667 275 357 315 350 346 510 394 303 0 569 1050 40 488 709 824 377 268 544 434 494 379 616 1593 495 523 515 1744 2659 779 752 1645 341 331 453 445 730 1840 658 2575 1334 881 1665 532 745 413 659 831 492 475 607 442 738 733 611 735 412 447 613 387 624 563 535 1384 704 457 466 613 2889 632 1918 642 1267 725 147 543 563 280 320 404 497 452 628 130 418 480 285 602 450 498 421 278 isocitric acid 118 76 148 126 238 120 80 62 122 186 131 201 149 298 148 58 148 144 281 237 249 363 118 213 139 228 135 198 186 123 354 171 264 335 379 348 232 265 56 285 170 122 220 123 186 212 177 185 54 119 142 247 290 215 147 137 321 137 273 142 157 306 234 278 214 321 117 123 103 339 150 88 54 318 318 71 255 215 216 390 249 67 82 253 301 137 162 165 192 258 184 144 167 169 159 101 251 196 156 118 2259 1340 2025 1211 1691 1054 1159 1246 1200 1945 1346 1369 1201 0 1331 936 909 1248 1159 1545 513 1027 862 765 535 1057 857 978 511 410 2371 2116 3169 3677 1991 1462 1330 1137 1794 1216 2234 2152 2567 2024 1537 2017 1750 2620 1027 460 1082 873 579 1037 685 542 940 2524 1257 2607 917 1631 2077 1804 697 782 1138 663 1235 1779 1481 1948 2942 1779 726 314 694 954 1060 773 1432 1196 1157 1532 1749 855 1808 1678 1959 1975 1195 1746 1302 2218 1268 1244 inositol-4-monophosphate 2767 1993 1956 2944 3899 2465 2073 1842 2370 3932 2214 2816 1883 2919 2899 1335 3069 3378 5019 2337 2394 3339 1002 1715 2324 3451 2506 3247 4663 4604 2330 5108 5368 748 7449 3526 4332 2940 2197 1720 2632 1490 3350 3722 2980 5582 6189 3667 2929 2993 1704 2660 4376 3873 2684 4078 2625 2879 2609 3283 6645 4030 2208 3381 3212 3652 2538 3491 1709 5464 6176 2632 1046 3956 1499 1639 314 3462 6465 508 1469 4167 2294 3453 3849 867 227 1952 4955 3655 2467 220 2876 3074 2992 3981 1750 2995 2233 3793 802 803 1272 792 889 1898 1637 745 2089 1047 778 228 502 0 1587 1021 1076 1187 1338 2980 1378 870 1273 1553 551 883 1078 1155 957 847 660 969 755 468 1080 952 152 1009 1208 2312 1198 1065 1037 1006 484 651 1125 1237 1054 1025 1653 151 991 1810 1946 1842 975 697 638 1029 740 693 730 411 568 1469 732 1293 1002 718 666 1032 694 1512 1304 715 655 821 783 1319 2143 936 651 808 1075 1198 1313 1872 763 1884 369 1615 1124 1394 740 553 inosine 5'-monophosphate 1078 741 650 1256 903 293 618 594 569 998 755 976 973 462 351 701 1223 648 1129 991 999 1014 776 1075 1142 715 1962 721 678 682 435 2622 798 919 2125 4174 1023 590 1075 2581 1164 959 676 1539 368 1180 2672 989 1633 3618 433 1827 2400 834 1217 1588 967 1993 3695 879 3835 558 910 1468 447 3443 639 1676 2817 538 751 1210 963 1444 400 2374 652 1821 824 4773 358 2890 1281 884 3514 1332 610 2468 1104 920 1149 577 1310 1159 898 1572 646 966 938 2555 237 268 976 631 943 1015 199 295 302 1550 699 385 253 0 1066 1419 2972 6561 402 761 174 370 386 265 261 490 902 535 904 353 609 2290 998 161 1221 459 287 378 487 597 212 199 1203 643 304 991 309 310 416 136 352 353 121 557 328 100 646 227 147 372 319 474 500 669 877 1102 596 568 158 101 585 123 232 714 1295 3749 871 1678 208 299 1906 910 299 214 278 313 251 191 371 1963 380 1259 328 1255 375 308 inosine 23696 9608 41111 27842 9204 11886 36885 17911 13471 8886 10124 8734 1104 3165 5756 24045 36190 10257 20842 7203 11740 12853 24119 14203 11267 13326 17426 22774 19185 25964 5249 62314 12641 15154 17997 19632 4284 7172 25226 18577 13306 35739 14874 55126 15926 15392 23362 26446 77464 30986 9590 26193 25950 6495 25795 16750 5935 41682 21845 48104 84104 12161 17078 20428 7863 26073 11138 32303 44421 13036 29042 24620 84215 20186 11031 34959 8414 42099 18168 22516 9462 48823 11478 16517 36178 34181 17586 47974 15821 7690 19376 20337 13430 9222 9868 28947 13314 66993 37449 54459 4027 1929 3084 167 3472 4600 94 350 116 275 962 1926 2656 749 621 1460 1065 1322 5215 2133 869 3253 637 1090 3517 1841 3380 3215 499 300 3429 2075 3501 203 4991 2314 1224 1019 479 1776 208 827 1712 768 4178 2986 4673 1598 2295 2477 6734 3689 77 4222 7087 1528 2244 679 186 1804 4195 2321 11887 3577 2711 8929 9670 4892 1481 2307 4670 3084 6057 972 6675 13399 11219 2971 358 4298 7552 1409 1022 4549 1239 211 92 533 3946 2347 524 4450 1053 6812 4782 279 indoxyl sulfate 109 100 156 90 85 114 110 103 63 136 88 133 85 52 59 72 70 77 118 199 117 135 55 121 95 146 135 125 291 148 235 74 150 105 109 130 117 100 94 104 71 70 131 134 77 200 131 188 95 140 129 160 118 196 102 161 165 142 84 123 91 80 167 143 139 109 91 71 89 176 55 79 73 112 129 83 97 94 98 91 118 80 104 71 140 126 126 194 229 142 132 124 190 146 126 202 164 145 171 137 335 321 606 513 473 294 619 440 536 646 283 369 401 0 321 1046 442 354 379 1268 522 847 543 917 437 1137 1315 5977 688 535 950 671 946 1523 1178 944 412 445 774 512 859 771 768 952 724 522 1372 804 584 305 1448 1219 549 642 804 564 483 589 328 774 336 384 731 260 753 1294 1287 1423 1542 806 888 878 695 906 445 1604 436 1075 564 969 1213 589 611 633 639 564 767 544 748 756 385 944 417 813 577 446 indole-3-lactate 244 207 236 242 358 216 164 232 196 233 210 249 186 226 305 179 256 339 439 218 202 236 202 291 215 286 256 308 355 239 310 211 229 334 290 244 234 214 193 236 214 174 398 188 209 424 220 227 189 242 199 237 399 199 172 213 255 236 365 238 321 356 341 301 217 318 216 167 175 256 342 258 116 276 264 197 253 293 288 255 265 259 223 217 224 323 304 272 280 308 232 318 195 243 201 295 343 294 319 386 2154 1341 2533 2310 2696 1059 1162 2012 1924 2414 2561 1916 2176 1498 2038 2638 2083 2198 3000 2150 3113 1622 2397 2408 1561 2521 2576 9749 1887 2297 1931 1348 2151 3669 1802 1838 2470 1481 2296 1953 1711 1627 1473 1723 1704 1804 1202 1893 3469 2924 7715 5039 3547 2376 2671 2999 3972 7210 2843 5194 1908 2526 3198 1841 1382 1576 3051 1770 2824 2776 2420 2784 1306 1850 959 1337 1766 1590 2749 4246 4851 3970 3328 2222 2572 2185 1605 4674 4796 4340 3200 3600 3133 4886 3160 1613 indole-3-acetate 97 65 98 58 120 68 86 146 62 95 90 77 105 69 71 130 125 162 179 90 962 119 69 125 187 409 152 227 189 163 645 89 95 98 162 117 124 82 63 62 94 50 69 89 88 92 119 50 113 179 88 202 245 626 486 249 147 100 93 150 186 177 255 406 2114 91 65 108 66 80 49 74 51 76 50 46 120 92 101 44 60 58 97 85 60 76 93 150 80 271 190 144 202 192 176 153 296 179 88 96 1413 1731 1677 1408 1056 595 1517 1127 1342 1206 1511 1049 1320 1033 1271 899 918 637 3592 1914 2804 1215 1584 2516 1561 2350 2882 2730 1431 2206 920 619 2025 1553 915 905 1511 499 1019 879 1730 1455 783 1280 685 767 737 858 1535 1148 2546 2866 1574 1180 2627 3848 2049 1781 421 2010 625 577 463 251 1157 1026 974 979 3104 1562 2400 2031 688 1045 500 433 446 612 849 1777 1140 827 1464 1242 1488 1709 1750 1294 1013 947 890 628 885 801 576 681 hypoxanthine 8215 4558 15634 8784 5172 5429 12905 6765 5219 4250 4462 3509 2907 1959 2665 9106 15624 6634 9650 6991 14397 5461 10591 8791 10072 12185 9513 10837 9983 14374 21192 17884 5805 6458 9304 8490 6053 3683 9361 7744 5872 12493 4772 19856 7310 7933 8815 9632 27243 12597 7764 13201 12511 9219 14869 9559 3966 17051 11434 15884 26684 6842 10676 11360 50013 9968 4704 11044 13380 923 10668 8511 48342 10410 4068 11525 4121 15180 7540 10526 3803 15115 4165 8217 16375 17185 9615 19084 8631 8989 15058 7292 6859 10837 9812 12558 13396 26279 16369 21418 436 251 346 325 763 1114 94 120 139 73 210 293 343 0 168 3729 786 682 503 1314 158 1664 243 187 813 519 1903 1242 204 96 919 907 628 150 2010 870 584 428 239 383 139 373 651 300 890 1020 1197 422 477 437 1965 821 70 2464 754 474 763 494 124 384 943 520 1605 663 421 2266 2232 2442 580 1826 1578 1366 2704 765 2582 9370 5333 1288 156 578 1946 412 397 886 616 166 105 236 939 1422 139 2080 467 2049 1726 107 hydroxylamine 5819 2526 30862 7727 59415 50095 3656 43451 51130 13221 28714 52350 34961 37753 47051 24597 39505 101917 86332 123462 137104 156120 54028 162121 100581 115183 144225 112097 159390 96730 169270 8867 1633 47011 1799 933 1930 34372 36483 16495 59012 519 9923 1728 641 581 9916 1187 15027 102000 104401 150928 90130 165869 42279 120940 210294 113122 103246 132282 1238 120649 151522 109269 36851 11600 838 45563 516 743 608 29829 12945 499 76868 26988 664 52265 830 53556 44811 36195 8672 45554 1346 77146 3719 81143 108814 178489 113974 115667 111465 129495 137652 75615 151542 80525 18689 103375 58340 63497 94978 52205 36953 37395 62714 57551 11363 57032 59236 38513 53122 60583 34561 127618 34839 20304 102252 659168 62117 93970 115280 170932 65824 86932 117845 120655 117583 96902 81895 33954 61291 114515 57336 51036 50508 45310 55914 38146 64368 46281 62706 73921 73928 51391 44041 49413 96833 47319 139455 114701 80757 62408 91546 65538 62932 67591 27699 71198 42324 37087 87255 74921 90182 160021 118601 93064 137106 61558 78116 80035 58228 94015 104715 135781 70402 152071 39000 65529 15903 69333 40098 30639 52250 105971 77215 57159 56066 16349 28988 44884 37905 42610 24674 31234 hydroxycarbamate NIST 530 724 2425 570 7293 3651 316 2341 3391 1047 2895 4242 3801 2671 4588 1909 3042 7096 5613 9235 8830 10431 2510 8329 9447 5565 7060 7083 11748 5100 8062 347 142 3415 173 125 110 1645 2882 1038 5620 77 733 114 66 127 558 95 1251 5834 6245 9631 4633 8675 3688 5745 12215 8217 6115 7215 92 8054 12383 7626 1446 919 111 2140 110 105 61 3090 728 110 8763 3250 52 4368 75 5033 2256 2991 949 2908 120 4621 337 5416 7093 10383 6087 5416 8792 7740 5384 3995 9476 3969 828 5815 5479 7543 7540 3281 3558 2737 7633 5780 2343 3957 4798 2857 5065 2992 3068 8519 2953 1506 10408 49175 7879 8596 15217 20020 7042 9573 11873 5280 9768 11482 7723 2770 5264 14248 4882 3484 4235 5664 4627 2130 3559 3611 5058 5184 5356 1687 2070 6456 13188 3776 13212 9816 8034 4862 7680 6282 5599 6212 4090 7297 3902 2791 7852 4022 7620 11201 10471 7679 13556 7710 7505 9673 4700 7981 909 9870 6841 11982 3857 6407 1653 5495 3009 3642 6463 11625 7643 4907 3536 1527 3319 2895 2378 2499 2204 1963 hydroquinone 474 405 363 422 675 483 383 568 378 602 429 434 374 516 383 423 361 552 522 317 376 470 350 488 270 354 353 401 430 312 529 690 542 499 659 471 518 480 419 496 420 459 570 449 476 606 521 554 489 567 284 324 474 473 347 333 432 263 541 477 555 488 485 428 465 534 623 405 436 602 541 475 299 576 497 504 583 549 862 597 430 406 778 259 495 342 441 462 440 463 357 454 401 467 334 453 445 402 529 369 220 267 427 190 330 207 262 144 204 178 344 228 209 0 303 327 264 540 317 1101 228 117 211 342 159 232 338 202 235 308 231 173 291 275 287 198 219 239 196 227 203 233 239 223 112 164 179 228 211 257 388 351 292 242 379 257 505 300 212 277 181 176 257 184 354 237 250 313 302 185 261 200 191 180 171 160 150 163 150 222 298 177 147 153 326 241 315 208 268 191 199 327 150 423 321 187 homoserine 157 240 96 140 241 196 150 152 187 159 234 293 196 252 197 149 108 201 124 136 213 87 142 131 118 145 119 138 266 86 208 68 204 265 205 285 397 230 136 136 156 184 194 139 222 284 128 259 157 127 133 46 265 209 70 190 209 179 105 96 148 152 102 179 105 243 243 150 108 187 143 214 59 180 230 177 230 183 285 215 188 162 202 269 108 223 200 125 203 278 217 109 83 219 195 163 213 192 255 179 737 462 777 539 502 508 713 429 583 614 599 467 435 0 638 625 436 505 405 686 519 651 522 502 495 441 648 482 728 279 713 901 1232 1428 812 834 653 531 504 392 644 734 878 826 705 634 916 667 629 517 384 460 351 592 680 568 652 499 341 605 344 338 422 289 555 918 817 541 453 668 566 597 757 800 953 1052 880 945 435 643 518 502 657 534 638 642 520 438 366 501 634 464 417 437 476 560 histidine 1126 1686 1067 1248 1436 1169 1305 1552 2377 1056 656 1037 1728 3198 2246 2282 1689 1856 1210 2336 2658 1380 1665 1673 1010 4233 1320 1626 1352 2010 4326 1397 999 995 1301 766 909 1113 946 1038 1506 2246 674 1948 1619 831 559 752 1427 1116 2021 1284 1171 2509 2303 1439 688 1507 811 963 1171 1093 1769 1243 17452 834 933 995 943 919 1229 3260 2276 1146 990 409 1325 1948 928 659 909 1049 538 1459 1297 1231 1103 841 1310 803 3283 1462 1080 1786 1400 1375 1822 785 1684 946 36955 47976 19135 52642 36358 45368 47915 77699 40118 37973 32564 46969 62257 38767 34698 16798 22963 6341 11692 15823 50359 23693 19457 20226 37884 20464 44568 108845 71031 37038 17871 44996 29850 21905 14168 12497 33186 70913 37401 49913 31901 27255 28924 43245 44543 42044 12676 36200 9951 28884 13322 9544 17890 28085 15733 17418 62818 35198 35462 68513 42691 48711 54884 41977 4024 32125 34950 24378 2471 5348 1643 23352 20792 1121 26320 20372 94751 21901 43458 14035 17044 33413 44177 37408 16076 33899 13937 39070 24564 43352 38651 16804 39699 17522 27666 15378 hexuronic acid 1189 966 1771 1093 589 1036 1443 1034 816 967 704 997 1135 643 878 1134 924 1160 866 796 673 1122 953 1183 1175 1298 1097 939 1038 1201 779 1841 1364 1159 1373 1100 1142 839 1208 697 746 730 601 1596 750 1058 1441 1346 1824 1046 1118 1372 1515 869 549 1017 1050 1119 1042 1308 1348 773 1147 914 498 905 606 988 1144 678 982 857 1300 914 811 770 573 941 933 768 746 1146 704 1166 1507 1119 1511 1475 1699 1358 981 940 1037 921 1091 1451 924 763 2103 1084 1890 1842 3046 2092 2393 1689 2144 1322 2000 1968 2129 2163 1680 368 1958 2787 1592 1638 2735 1591 1794 1831 2312 3286 1997 2912 1888 2778 1907 1913 2621 2090 2806 2258 2983 2248 1996 1844 2151 1652 2627 2272 2204 2160 1216 1829 1991 2659 2583 1216 3071 2993 1667 2218 3561 2329 2507 2060 1708 2287 1053 989 2010 1254 2559 3057 2111 3182 2601 1995 2267 2854 2344 2625 2454 1659 1631 2610 1368 3075 2303 1825 1705 2390 2762 2560 2567 1897 1731 1631 1760 2450 1825 2624 1274 1446 hexose-6-phosphate 1926 2507 1903 2569 1354 736 5081 2347 1022 3977 2413 1186 1794 1399 1329 1880 532 576 808 509 715 679 1023 828 870 592 86 1305 674 744 728 2697 1485 1346 1592 2087 1361 1789 2719 2308 1501 1549 1351 1914 738 3288 819 1137 2004 412 516 719 531 594 792 595 998 436 925 769 836 584 536 503 488 1661 317 2053 2721 1051 1985 1490 1147 1569 1889 1153 984 1803 1459 1374 1192 1606 1182 965 568 954 701 1070 464 830 1079 516 665 738 756 683 258 441 802 776 269 203 254 242 780 258 185 192 268 156 243 310 327 0 614 1682 2497 1842 2937 680 1937 2052 248 1698 4275 2570 183 972 156 2035 318 201 1346 194 294 243 451 281 301 206 218 1529 218 273 158 144 213 215 1100 2120 1304 737 2378 2213 3153 3406 1199 951 723 862 1105 887 563 400 1474 1889 1409 1902 2323 2354 2889 1616 702 1289 64 113 959 886 222 288 149 250 430 1783 458 181 327 204 139 203 1046 182 284 139 248 241 hexitol 6497 5172 828 802 6744 424 7007 580 497 380 410 420 433 310 426 4750 470 506 710 685 604 608 429 678 575 460 769 877 916 564 582 2256 4797 7564 6242 4430 4208 1170 591 1858 1121 2900 4904 4585 360 6383 1922 4505 3923 680 804 733 753 621 636 409 391 600 631 678 993 634 937 541 482 525 525 617 547 649 612 436 5066 453 456 433 359 750 633 447 498 569 403 4332 2405 5240 5315 5325 5615 6214 1585 1575 1426 1538 3384 4008 3874 5758 3872 6282 1374 1366 1833 1795 2715 1476 1330 1250 1163 1202 662 1109 1467 844 1753 2625 1864 5130 666 3672 1821 1937 2240 1590 1608 954 2367 2277 1835 1594 21015 28696 37536 15944 25274 26290 4528 474 5023 7209 17548 26711 21189 33153 20734 19222 25891 20853 874 1432 3080 2966 1723 2981 2091 1169 658 2220 2679 2315 1330 1765 2263 1793 1816 31842 16888 32697 7472 4867 6844 9508 19396 19969 19082 11604 20370 25873 1165 1439 1601 1631 850 1593 2065 1549 1074 576 1688 355 1741 3705 1939 2229 994 1740 heptadecanoic acid 2331 2598 3082 2583 2893 3206 3154 2782 2361 2859 1665 1797 514 1816 1887 2988 1203 2756 3085 2596 2856 3093 1975 3172 2534 2913 2634 3122 3078 1746 3003 3679 2365 2613 3820 2506 2926 2560 2676 2551 2302 2704 2320 3714 2824 3941 4729 3224 1680 2645 2248 2716 3336 1272 2700 2680 3199 3186 3005 3218 3735 2878 3358 2523 2461 2627 2581 2952 3030 3834 3596 2627 3394 2904 2502 3308 3599 2044 4458 2739 2783 3803 2699 2701 3787 2578 2249 3390 1997 1455 2490 2420 2240 3321 2886 2642 2570 3476 2720 3489 3598 2482 3982 2491 1967 2672 242 340 3186 2243 3036 2524 2427 2546 2540 3719 1810 2979 4673 9932 3470 4110 3928 2774 2958 3913 2100 2450 2273 3403 3504 1880 2027 6068 3843 3118 2853 2781 2085 2452 4036 4425 2651 3005 2192 2168 2481 3310 2403 2433 5166 2164 3174 3597 3819 3475 3380 2948 3262 3133 2305 1650 2634 1147 4537 5051 3491 5472 3750 1631 3072 2127 3457 4508 2382 2622 8490 3622 2104 3205 3521 2556 3158 3198 3858 3336 3066 2998 2125 1378 3367 3804 3013 4735 2228 3001 guanosine 385 223 468 349 340 266 345 306 248 337 275 301 215 219 234 326 417 256 562 752 237 424 315 620 491 466 534 290 663 156 347 865 421 645 690 407 441 233 286 325 521 621 548 658 346 515 691 546 756 858 431 501 544 375 173 478 387 856 633 770 993 580 669 415 275 534 294 432 459 389 389 296 864 417 475 444 277 586 395 454 387 558 183 371 619 367 437 509 606 415 411 491 257 422 508 547 569 1513 525 931 142 111 136 106 143 150 45 96 82 54 72 83 90 0 146 188 55 113 259 599 145 134 146 154 167 130 146 111 92 89 182 115 120 117 147 132 94 73 137 156 115 99 124 63 120 83 146 69 153 88 259 261 86 135 308 104 159 114 80 228 211 134 749 503 153 177 245 140 124 185 300 340 204 141 144 195 98 110 58 203 149 73 49 215 177 159 119 149 100 120 69 90 66 158 99 74 guanine 49 72 46 109 115 125 58 112 76 162 41 58 86 87 61 87 556 259 464 854 4169 1018 508 846 293 2240 549 526 359 1145 6551 112 114 103 164 110 96 85 58 76 596 136 89 104 119 100 66 101 84 239 511 1926 622 877 389 453 494 755 528 231 1209 439 570 1360 10505 177 111 103 115 138 113 48 108 115 92 106 106 76 106 88 167 83 79 79 625 889 474 274 349 1896 1709 320 770 1374 1063 397 3022 508 469 719 62 90 99 76 91 79 84 79 93 44 59 71 68 0 64 152 768 98 138 548 76 108 84 121 67 88 111 114 67 68 160 91 127 133 120 113 69 55 111 75 87 79 103 80 62 67 74 45 92 84 140 105 72 85 127 67 123 145 66 113 67 53 171 109 106 112 130 105 74 129 81 136 81 133 93 63 85 130 72 96 81 78 117 69 590 87 127 78 77 44 85 35 57 95 80 65 glycyl proline 136 81 107 176 103 95 168 164 90 52 205 119 125 89 111 158 654 105 455 204 140 90 186 261 585 529 83 219 253 164 264 156 136 302 428 117 77 180 189 333 257 225 102 314 253 560 231 166 195 886 120 556 165 199 199 137 608 1095 162 159 979 762 645 781 622 60 136 297 125 505 440 117 146 157 349 174 245 200 453 163 185 190 138 159 110 162 703 697 1144 126 548 352 622 580 768 560 157 156 225 1168 1739 591 474 1331 899 12252 1396 7405 559 1592 2601 1013 1402 0 4248 633 307 326 912 721 1875 339 375 482 442 475 948 7848 3900 456 861 3336 435 726 761 6315 720 808 1555 20821 3404 407 2889 2803 8954 14450 14116 4181 433 410 531 436 361 270 1368 500 2801 1878 1113 2879 8907 7202 4804 1482 497 910 805 593 484 351 507 1022 183 1086 2780 4836 7728 1828 1448 821 556 721 584 4734 741 843 678 14460 887 9415 638 2298 810 1168 527 893 glycolic acid 2120 1705 1657 2304 1711 1886 2973 1247 1325 2368 1231 1737 1179 1239 1138 1071 1355 1619 2405 2806 1959 2552 712 2119 1296 1862 1189 2693 2561 1587 2049 2788 3390 2131 3331 3788 2545 1464 1147 1780 1255 1948 2456 2101 2772 6517 2277 2864 1451 2536 1637 1798 2532 2988 1963 1483 2429 1721 2242 2081 2321 2053 3276 1850 4727 2166 3200 1109 2442 6887 9014 1334 876 5890 1944 199 6464 1601 10695 1624 1884 2272 2041 1630 3721 1875 2756 2519 2173 2883 1661 1729 2163 2053 2129 1435 2659 2192 2880 1870 5881 7476 8183 7490 15787 5756 9669 5815 8336 6502 8963 7319 7556 3638 12470 11342 7719 10261 11902 11338 8881 6518 9626 11909 8303 11288 8529 8066 13914 7483 12891 17811 20647 12122 11780 16706 6425 6293 6393 6040 11987 21365 10350 20764 15573 9892 16068 12055 12330 9388 16809 11027 15289 8049 8544 8003 14861 9384 10845 8688 6100 7982 6137 9276 22397 25260 12231 22143 5632 5512 6941 8308 18576 11283 19000 9039 17346 12890 15012 11098 10589 14380 14629 9150 11341 16243 11316 8702 13906 8703 11938 13256 13742 11152 13302 13025 glycine 103856 145255 87633 97207 94247 100432 108316 77280 73717 108847 131035 123076 131630 97530 144693 114938 120299 88489 69971 91636 79965 92994 109532 112901 104775 62969 85663 73389 112861 62920 79984 83773 85574 83442 86949 90054 103144 92098 102581 105270 101261 70700 100931 85207 54433 97698 78710 101160 81081 92506 62293 111180 98240 67531 109209 104170 89141 107985 126024 79414 110863 68365 47006 95347 38681 83961 80873 70408 75434 74512 82313 97222 71547 91289 116935 60141 74095 88385 79669 96122 51107 88714 91380 88483 79597 87128 121791 124456 111064 113086 109638 92698 93753 100278 95221 99931 102394 91402 118494 128512 172262 93584 112441 116925 160477 172811 119100 116867 256676 172499 145933 149937 115441 113382 249739 175440 169970 180991 127300 128561 101133 157007 149018 116025 74652 156735 85257 141206 83404 82396 161407 282635 179090 183484 147732 161168 173521 147650 174783 143424 177604 185644 199513 141603 146804 180914 201433 228964 156181 93027 154335 130120 95286 181312 173067 161445 213320 169674 99251 187303 99262 107352 101614 67088 145105 166355 167138 176396 150554 133376 157064 170656 190466 173573 176482 195259 141898 266706 127885 170856 320868 108309 180146 248957 241933 128287 190400 157180 104228 265494 181361 153537 137516 148134 146982 135657 glycerol-alpha-phosphate 59419 29950 7055 47729 24074 22697 14961 23255 15022 35537 38919 20794 12233 14587 18578 14694 85066 29084 34490 26488 32914 29943 52095 48636 50112 18720 66927 16914 43548 44318 49461 53886 43022 51793 43206 70445 50312 19827 8929 19565 20734 27784 45794 27774 19123 45160 31131 35299 22913 76613 54647 73297 81257 24640 44837 53868 36959 58062 70992 22238 51866 55682 42361 27756 34299 50897 20300 28562 29156 23001 20275 16990 8081 15745 14743 13800 20834 18587 19987 18319 16339 21774 18726 26045 75181 49873 58712 73661 69374 82001 34041 50699 51674 22488 57445 68299 43879 50849 41487 61831 8557 5364 14607 8417 15645 12706 7694 6370 8924 9679 11587 8162 7909 6445 13931 16258 15574 24685 9880 8156 6240 8439 7264 9333 4796 9786 7088 11083 5499 5369 8608 10733 10204 5891 11139 7240 10309 12661 8787 12310 8172 8652 9764 10965 5765 11644 7113 7425 9089 3177 5247 6899 4826 11472 8346 7520 9352 7471 7501 6316 5904 8185 7221 3255 9178 8010 4983 8330 7221 7278 8901 10544 9543 8916 11907 16712 10576 9917 5247 8260 15032 6791 6101 10160 14500 7802 11711 7267 8564 12647 6952 15285 7315 15975 8584 7005 glycerol-3-galactoside 379 379 495 463 443 476 539 371 252 163 175 319 396 263 217 415 250 294 342 573 227 556 256 538 287 440 229 298 223 267 318 579 1107 839 425 334 1272 268 383 175 236 333 542 481 230 763 243 1233 514 362 313 361 244 358 211 345 520 326 269 593 414 314 418 182 203 322 196 304 388 242 282 343 1288 151 294 437 151 350 351 325 178 406 380 721 458 247 1115 356 1213 981 284 328 179 295 748 354 686 354 1052 312 578 4569 460 3549 593 2857 570 2332 3518 3103 3757 1931 4456 0 1536 815 781 511 1115 819 14184 5300 685 800 7919 1005 1181 547 1998 786 1727 18234 17772 753 710 27322 516 489 4184 1553 519 13082 835 12007 13504 779 15859 617 563 4488 739 674 1025 2285 1352 1353 585 331 189 491 1072 566 135 224 2037 29897 981 24131 978 974 929 595 14844 844 12117 511 17226 883 505 389 434 677 633 2280 1801 442 404 1007 2355 1293 486 1217 568 450 350 464 glycerol 92165 59429 120365 84898 74170 74051 91999 111514 86949 71001 51240 63141 48700 48840 50292 78029 77545 70830 69019 63997 62030 68064 69041 73666 68559 56120 67304 60969 70480 62299 66965 103181 61507 86604 46454 55737 66017 60765 90530 36229 70739 60034 76984 72974 52486 83022 48312 84327 66982 85571 90134 71318 92131 58330 72739 83169 82044 77911 72777 85642 94851 76448 90383 58038 55343 73276 54670 90712 69575 59210 65345 95320 182145 58564 86336 68570 42641 70314 72900 56032 72923 100655 59891 67011 90948 69866 94945 80549 73460 71230 69262 74912 77068 64120 85849 62258 66818 59005 86891 70130 832706 734128 1169125 908890 819148 727478 838105 504915 1012104 712160 799474 596310 674652 687059 814351 1257020 589247 939488 1226173 697795 703109 927543 1202586 1262130 560280 1167703 884551 582447 838294 621584 1141808 740567 817127 959743 1284906 796270 894522 786527 738990 818255 1011232 1019318 977331 936790 976251 1073517 598550 1265825 1048932 838899 1789712 1444183 1152639 1270196 1133206 912129 1400977 1476758 1053427 1449030 558130 723384 1183368 978226 1493215 893334 1025418 755036 1357969 1197494 1012440 1261169 1346178 1348496 738912 674588 731402 1175856 826657 1527538 1134906 663686 881069 831953 1203745 920330 1114407 913117 484183 1108158 853102 1456887 795825 1400164 1013530 763193 glyceric acid 843 524 502 653 645 541 746 393 513 826 566 571 605 281 544 510 550 579 561 1155 595 1024 432 932 574 690 718 771 628 482 959 884 1221 917 2504 345 1016 296 465 837 465 1097 1423 572 1172 3961 733 1381 718 757 739 661 784 897 216 721 670 695 633 875 1219 721 762 508 1209 728 797 486 847 1753 2286 784 1016 2134 680 350 2062 668 2773 614 828 564 810 653 824 538 738 690 717 919 804 643 631 674 671 695 832 558 1045 660 6558 7511 7661 6275 13024 6322 5581 5699 6268 6086 11703 7393 8465 5121 7722 8093 5646 8954 9132 4173 7884 7367 7178 3862 7712 11238 9788 5487 6388 6001 8897 18381 10948 6334 12454 15225 9244 10055 5768 7921 7437 12494 6964 10851 9830 9182 11813 8732 12047 7524 7863 9440 13187 5594 9728 9183 5421 4898 10620 5093 3883 7772 3852 8201 7009 12879 7864 11511 4744 5291 10441 8105 12224 6997 8857 5709 9649 8156 9460 6710 9472 9152 7608 6367 10290 4345 7240 9976 14659 8321 12078 14534 10412 18367 15660 11535 glutathione 19241 30535 12205 14026 21109 19299 15050 18479 15076 11059 16381 14220 22028 11606 10665 13506 9743 10081 12223 11849 8510 12156 20115 8262 14677 9733 7555 1520 11795 15409 8522 1111 1768 4627 1502 4411 3891 23107 16834 15374 7647 2305 4596 5545 3259 6142 9273 3093 3738 7211 14300 4337 9227 961 10369 14827 10256 9327 8372 15930 8333 4760 3363 7881 2037 5039 4972 4611 4049 4868 2938 8491 11993 4774 9581 9982 3154 6018 3318 5624 5342 7751 17005 2947 2745 10544 4817 4372 3847 7887 16717 20369 14500 12314 4306 2464 5592 3429 7887 7786 133 145 292 167 361 192 157 195 160 127 228 96 138 0 246 618 558 823 283 536 113 289 241 305 152 278 315 286 208 121 375 228 211 272 349 199 173 177 146 222 192 228 289 220 207 424 195 187 329 176 230 283 253 407 274 231 344 248 140 235 218 235 167 135 390 265 308 278 265 207 363 342 211 535 369 457 242 608 120 254 338 208 162 202 295 169 242 207 409 188 217 207 180 274 116 148 glutaric acid 446 419 533 444 1152 659 390 364 465 201 424 747 775 850 684 284 288 1578 1312 284 366 999 508 768 322 1822 425 823 880 462 1083 190 286 351 311 300 416 224 236 481 286 151 83 163 665 829 234 323 159 425 1097 204 456 212 364 277 526 280 475 1008 389 667 821 301 891 258 784 249 207 657 635 323 125 323 216 215 205 224 839 219 413 309 297 575 384 228 424 318 199 415 448 623 782 379 241 176 353 357 429 308 375 254 332 428 307 223 126 52 315 258 528 310 289 0 318 357 358 376 407 1038 358 458 382 393 417 414 398 437 424 398 301 121 313 320 361 203 118 257 365 245 273 136 251 180 142 259 138 227 228 398 502 294 370 366 325 315 296 346 307 349 201 191 185 245 291 222 352 269 536 380 304 256 173 310 223 289 266 347 254 243 353 214 303 222 362 347 312 174 240 210 213 150 235 409 213 343 glutamine 35738 21446 16168 30607 21446 22106 34586 27251 37333 31378 28969 17164 20596 19875 13287 38656 37987 18474 13956 26279 50874 19920 36306 35412 32718 19643 28708 25063 19148 36833 20051 53050 53365 38154 73624 68460 32531 19347 22656 21376 35838 43409 21060 43604 23876 12592 23655 34044 32941 44369 27793 34572 27417 30282 46647 39788 20771 52175 31976 21049 27511 38965 24895 46204 29800 35946 14072 29630 28703 20822 25053 44697 10133 38434 39177 20708 11559 48466 19014 33881 24028 34813 13655 43829 87636 36029 46577 34341 50111 38281 44668 23668 39182 37485 48063 52270 44791 49198 23490 36404 211894 300294 241846 297546 290575 210725 285788 255166 320389 212689 260957 274150 273913 225392 268371 145798 154020 116406 184448 372989 265474 180720 182961 287069 208831 225798 226707 201334 286547 261716 247926 353751 339834 225509 232341 399145 232287 519414 238683 201623 237737 336210 238495 300004 200987 222131 440267 292906 161401 241701 182468 193356 153290 181044 216842 137236 215208 226280 215206 268161 174904 216082 396211 223850 278102 307222 206665 301324 224540 214563 124260 191674 281079 153469 258728 284596 254259 186686 250579 205353 190200 218226 311566 232284 177485 303829 220620 239492 212419 218028 262660 177274 257921 190164 229076 230710 glutamic acid 53116 45870 15628 51389 29939 36634 35930 52932 68420 40220 45672 26934 57353 61976 33720 32636 58230 79219 58588 76634 81644 33037 51020 54760 54026 93411 57424 29788 71280 69762 81710 45308 51636 52235 62471 61556 64587 36783 30899 57037 55646 116177 131559 53962 64196 128528 28745 62955 45218 38979 217852 35148 26077 45746 53740 58729 29914 64769 39841 68843 22852 81943 79110 49099 109211 44002 41516 38859 53156 49067 34239 49490 99380 74582 49153 40392 37796 58266 28975 35214 42823 31322 28054 82615 61428 103628 119672 78019 83491 88546 57948 35243 55787 39901 109832 62772 107767 117873 43361 45933 21903 16434 27975 29180 42998 45605 15886 26111 19411 23136 36342 23263 15236 15887 46508 50198 42388 49497 24724 27542 19816 23754 24528 19560 15351 23719 23103 49969 32479 19261 27984 36568 26461 23241 34117 29354 18020 27681 22961 59159 32550 19482 53996 35894 43173 59663 45121 34876 21551 14089 17410 19752 19893 28355 19033 21865 43321 27695 21368 26050 41221 46923 39067 24610 29542 32611 27377 29198 16948 21183 18717 23609 25351 25704 45422 65536 73797 49716 17613 15983 32296 17942 15457 32025 27552 20136 22832 38071 31659 45742 18912 40192 17662 27748 19155 16817 glucose-6-phosphate 17326 19250 16589 23102 14686 18193 38422 18766 11284 26853 18049 11232 14506 10763 12390 13501 4229 6313 7164 6192 6545 5361 9727 8644 10267 5792 9230 11504 5960 7688 4406 20754 12423 9676 8156 15369 12963 14616 21406 17348 21580 11959 12081 17671 6776 16096 5846 13852 18185 4659 5839 6977 5984 6296 11097 7944 11290 5650 8801 7892 1523 5162 4008 4654 658 11876 6634 18399 23897 9853 16622 16036 9711 10207 13621 9712 8093 15154 12237 10599 8894 12901 10866 9529 7854 7125 5318 8319 6521 8594 8972 1094 7023 9007 7176 7606 6768 8790 7952 10569 749 319 551 164 462 521 102 375 654 452 448 484 978 0 90 196 74 139 150 421 75 145 119 118 52 88 108 100 87 70 102 105 911 117 157 468 1470 1528 925 449 171 1020 108 1026 447 160 723 229 150 56 162 95 60 116 113 62 98 385 638 742 40 82 123 121 120 100 93 100 115 151 69 362 646 196 94 55 128 85 921 158 146 449 1245 877 1362 137 997 682 84 592 802 226 622 154 917 272 glucose-1-phosphate 33196 27515 14590 36566 26719 25866 34803 29242 21959 41898 27145 15340 14326 13353 16287 14300 25983 10373 11929 21021 22488 11985 34081 27975 26844 8959 31462 11577 10941 9113 13087 7425 6002 5882 9203 9495 6151 37282 27369 44222 43158 7889 6285 12142 5008 1871 43305 6840 6591 27240 7032 27916 28118 6652 26029 33444 25556 29714 36105 8702 36575 5724 4075 28592 2611 28540 3822 28550 20657 10165 12548 24088 7368 27372 24745 12756 7417 18985 8781 19427 6442 19351 5034 2948 13228 23398 6114 20624 10536 9832 34117 27917 24953 38151 9606 22969 7861 16579 11419 29744 6708 7225 5312 287 6705 3753 3359 4105 4902 3595 5950 4018 3701 4390 5408 4059 858 5072 5308 6295 5244 4708 3958 7154 3597 5556 5595 8313 4702 5144 3396 3139 5308 4299 4551 2738 3439 4671 4563 4397 3622 3227 4090 3306 2005 3725 2352 982 5324 3386 1720 7309 5983 4890 5359 4854 1392 4990 4221 5607 3054 473 4433 2879 6329 6964 3725 5833 2042 4422 4250 6103 7309 5290 5230 5596 3439 5708 3907 5306 5976 5543 4593 3562 5347 6212 5099 4735 5847 3443 6044 1045 594 6076 4801 4281 glucose 144244 122683 141185 142838 121844 94652 162873 116454 101088 103346 83805 86287 107247 70878 85954 109938 95255 92538 93944 66235 68338 87484 95668 105023 97965 100842 105403 100293 78471 99034 38879 148210 123725 98843 126685 104859 93598 90773 135971 93200 82646 82255 51045 157683 61281 63230 96500 114082 131580 93783 86771 113610 132386 44426 86697 71959 72001 78990 99800 107118 94474 80836 50583 80467 48822 101758 51298 112940 144940 69142 86409 94222 152535 102729 93699 85374 59447 109684 87118 90859 67221 123796 65611 88682 125894 87800 68297 121273 102431 111027 72936 89029 100079 82589 56434 131657 88439 60496 117796 107348 341952 302665 516283 347688 412977 300791 337904 221332 334288 293827 338098 378368 280872 301230 317816 503326 249242 264737 452155 257173 259378 310403 393634 481093 312870 462738 291163 284745 285559 301083 438819 344716 434951 295784 447254 363244 325779 311353 369201 254726 391154 373569 360453 358846 174368 259542 315785 409736 405774 194147 501646 496977 273263 355585 589196 416934 420946 318057 246924 324169 147526 153633 309053 173179 392836 473620 323743 545090 453116 329128 413587 482634 390122 413804 384819 247451 249351 399428 219084 495794 356878 306770 251378 433237 481262 412168 435461 332889 276914 272851 272434 425921 278071 423138 187616 206053 gluconic acid 309 310 362 248 326 245 516 237 175 259 145 229 225 213 225 311 300 310 342 341 215 298 221 479 188 275 286 359 272 291 156 450 386 415 542 468 391 288 359 333 269 324 440 324 322 486 267 398 501 315 273 351 355 269 350 333 305 337 286 359 333 283 344 212 192 461 270 304 397 360 814 365 829 833 286 169 697 387 705 376 242 320 113 226 424 403 268 429 260 370 254 298 353 174 309 294 241 218 429 302 269 212 369 289 334 198 270 138 264 199 375 267 259 0 178 288 184 513 278 830 165 323 370 562 164 288 269 352 189 228 553 538 671 459 526 451 330 229 252 184 297 804 624 692 451 395 583 570 388 189 327 300 244 329 360 211 515 254 380 230 155 171 411 247 757 736 675 658 359 185 269 353 2579 337 2190 328 1387 820 299 332 356 266 238 234 387 424 205 246 409 226 325 379 356 541 337 417 galacturonic acid 9825 6527 11066 6710 13390 10435 8818 5747 5409 5996 5550 9738 9903 7922 8476 9715 4758 6746 8117 3117 3205 9743 5411 5140 7827 9599 4746 8267 7027 6009 4025 14386 13120 16434 15041 10339 14540 6436 7073 4404 4219 7735 6663 11804 7306 11938 7791 12893 10404 7644 8712 9830 7374 5865 4689 4181 4600 4077 6001 6710 6777 11731 5597 3145 4498 5376 4857 6238 4014 7747 9270 4721 3917 5656 3305 3487 7406 5452 6063 4050 8562 7503 5579 12508 7025 7117 19418 11096 12759 11471 6097 4844 3881 2602 7640 8641 3136 4303 15347 7008 3653 3545 5831 3856 4374 3240 3710 2414 3816 3227 3943 3998 3203 1867 3390 5478 2646 2844 4937 2946 3754 3522 3932 3577 3510 4985 3439 8051 2596 2754 4738 3443 4831 3484 5062 4085 3545 3342 3754 2989 4613 4241 3934 4047 1901 3187 3451 4957 1152 2279 5546 5340 3229 3874 6210 4333 1575 3519 3098 3979 1946 1733 3544 2102 4447 5311 1721 6025 4938 3309 4313 5104 4261 4618 4102 2706 2619 4877 2335 5043 4132 3242 2760 4534 4991 4455 4969 3878 1869 3241 3067 4614 2977 4873 2159 2601 galactose-6-phosphate 694 997 524 887 277 469 623 704 387 736 520 233 407 382 362 441 83 121 183 98 73 196 67 77 146 154 134 90 177 71 126 529 465 555 338 513 467 552 759 350 419 70 201 468 209 217 300 408 438 80 81 173 195 206 108 45 205 57 186 206 57 177 227 135 98 399 258 421 441 573 457 250 245 98 400 247 153 563 418 182 320 372 382 273 103 88 111 106 139 207 308 62 115 209 156 121 119 117 114 119 73 229 148 131 143 102 68 131 118 93 121 72 108 0 121 135 76 109 81 265 82 174 176 193 115 127 100 103 104 114 129 121 190 73 117 116 103 116 126 87 132 110 59 78 88 91 74 102 178 27 95 182 113 60 92 158 179 94 102 89 70 64 64 67 153 147 115 154 129 128 117 111 91 164 104 106 106 92 96 153 83 104 74 107 120 160 122 129 102 90 100 147 110 100 87 106 galactonic acid 320 274 66 330 276 255 308 246 159 198 176 203 228 191 211 278 269 221 246 306 197 304 165 415 152 175 216 443 235 284 144 553 456 89 460 237 322 253 393 313 230 353 299 341 275 494 150 426 333 264 213 262 160 248 256 259 361 262 210 311 277 229 227 184 177 392 203 250 263 454 802 327 755 731 185 152 710 292 896 294 119 261 223 228 393 399 257 314 233 244 157 207 298 140 212 187 192 189 319 224 230 225 355 240 136 195 257 153 275 154 291 241 227 0 202 224 152 449 239 795 182 261 348 533 128 247 222 325 191 223 931 445 283 415 1278 133 280 388 208 227 164 754 184 941 707 183 647 1201 382 210 476 394 264 304 268 246 522 350 340 297 164 151 163 272 654 1321 374 1262 299 175 215 322 2418 1195 2191 431 1008 357 280 357 397 276 203 218 352 360 347 286 359 219 364 362 244 476 193 398 fumaric acid 21873 18323 2739 13056 12047 14674 9625 16352 12051 15736 24612 10541 13748 19241 16022 10665 32283 21608 25214 19357 13067 20966 11374 19871 30298 24212 32276 26286 31777 27251 24114 29130 39677 32912 25211 37568 25910 21010 16053 25324 8903 20032 35639 13018 28973 52520 10645 35883 8041 15846 33272 12343 16882 29822 7966 6029 9219 15148 14127 7094 9149 26399 15723 13012 20623 15303 19186 13396 13563 32581 40786 13279 5710 30583 12112 9684 41277 8987 41792 9560 32341 7093 15659 31580 20382 38343 25805 24321 15889 35988 8979 15791 16070 10024 22321 18249 26823 33794 35195 9460 4574 2999 2639 5253 4854 3686 1796 3243 2411 2885 4086 4251 3058 2194 3435 3534 6334 9431 3998 5107 4038 4329 4077 2926 3924 5335 4929 5905 2885 3514 3860 5053 4606 2595 4600 3754 2237 841 2511 3566 3491 2166 3921 4537 3050 4471 4459 3472 2868 4840 5412 1183 6336 4164 4457 4265 4279 2103 1279 3201 4099 4813 4167 8294 3314 6015 3097 5637 2678 3786 3248 3037 6001 4401 4385 4444 5756 2736 2985 2071 3477 3299 2168 3601 3441 1442 1972 3587 5267 3851 3806 1458 3861 4491 3908 1830 fucose 745 460 349 852 1028 691 1123 719 537 1035 618 951 990 503 879 674 1245 991 1382 1398 812 1312 600 991 963 913 474 816 1120 923 963 752 701 781 1006 747 1564 721 481 773 1127 997 1843 957 759 981 718 745 1215 1178 767 770 1237 994 985 734 763 883 906 848 1430 1083 730 828 791 1540 693 679 718 674 906 632 2235 1321 1072 512 611 913 864 619 788 1064 490 479 1035 1019 1325 1111 1626 1013 738 699 759 911 1218 887 952 1078 1648 1315 2725 2191 4764 1948 3166 2159 2287 1591 2766 3089 2408 1827 2042 1201 2352 5182 1778 1966 3225 3937 2042 3447 3011 4902 2027 4365 3573 8727 2433 2111 4433 2656 3590 7083 6442 2362 2250 2514 3424 2997 5219 3777 4705 3359 2968 4591 2336 5095 4404 1753 6077 5592 2945 2735 3736 2329 4250 4311 2064 4002 1524 1484 2532 1651 5985 4077 6675 4091 3579 2779 3250 3951 4143 4272 2973 4060 2141 5754 2273 4750 5172 3273 5436 3095 5144 4485 4017 3547 2906 3448 3772 4960 2215 5184 3415 2913 fructose-6-phosphate 6983 8517 8008 8450 5832 7434 13026 7795 4573 10683 7267 4818 5191 3515 4297 6110 3256 2462 2822 1853 1997 1412 3806 2955 3288 2101 3361 5196 2907 3092 2540 10496 4924 3830 4381 5127 4565 5532 9287 8683 6770 6611 3887 8030 3115 9021 3768 7129 13327 1715 2404 2606 2114 2238 331 3053 4986 4319 3068 7131 6257 2552 1761 2000 1675 4884 2883 8876 12651 4074 8802 8392 6488 5267 5049 9879 2705 5499 3963 4021 3352 6005 4713 3925 231 4572 2165 4121 2268 3748 3727 2359 2244 2717 3012 2389 3024 6110 4834 5907 356 222 306 232 983 354 165 187 385 262 296 322 363 0 81 301 104 140 172 599 82 213 131 217 110 153 229 193 152 175 404 292 444 324 303 300 533 522 324 269 231 503 217 324 183 286 266 341 322 105 156 153 111 145 192 115 222 374 312 294 197 144 303 273 186 174 114 191 220 309 249 370 207 440 104 138 175 185 246 315 150 264 391 357 513 258 401 302 150 233 258 258 362 194 332 264 fructose 1712 2326 11767 2014 1436 1789 8865 3461 1141 1312 537 995 1271 563 543 3101 931 100 767 1682 769 1838 1529 1646 1295 1032 958 2049 864 1100 214 2259 1159 972 484 1183 134 1399 6209 1282 823 106 609 4146 138 828 948 1057 6845 1041 918 1087 626 490 2102 1248 706 1087 823 1871 993 738 802 581 222 845 434 2054 2605 885 1544 2129 20170 147 618 370 60 391 724 604 643 2531 1109 1140 1118 905 1234 1382 1051 1001 1207 1282 946 805 982 1150 634 926 1779 1549 14308 10858 21387 5856 8959 2446 6119 6427 23922 5917 16570 11389 5939 3917 3727 25702 3648 4023 22960 3810 16189 28437 21865 50314 21219 24011 15198 2874 12782 10163 14501 9706 7881 13754 10655 13509 14515 4392 2767 1286 8472 18468 5470 9159 20718 2629 10786 9357 30401 11655 12418 25958 9425 18644 31307 18819 4416 7812 2662 4024 755 1185 5449 2161 11558 16380 11305 23341 3599 2335 18549 38354 13850 10497 5029 3071 11105 9541 8373 12776 5124 7701 11885 4699 10910 9332 12259 4544 16047 3276 9520 7830 11966 16993 10386 12670 ethanolamine 12333 11955 9704 13132 13257 12782 9610 16435 19396 21035 20274 32105 16938 34366 28009 23830 16253 9820 13981 11988 11196 7943 7249 12165 6598 20659 12270 8267 8581 15629 18263 50796 32843 44390 44133 26064 26033 8665 19098 8110 21699 45828 28015 41078 34383 31823 12839 39414 37094 11718 9783 8499 19156 12474 11106 6794 8719 9299 7887 9525 19172 31505 28961 10491 85662 29330 19266 23330 32902 22892 31437 33291 13981 17485 23365 12212 28458 76317 30809 22333 32215 15173 12416 34149 34098 14107 27454 12412 25490 15011 8006 9944 6252 8307 24234 20436 17310 20668 20456 12958 24775 22667 43216 30923 16292 24980 33509 23562 25330 24971 24489 18994 15495 14022 17492 95480 18408 23217 45625 16077 29275 40613 41631 57217 28338 49201 38040 85752 35884 23774 41161 19664 21909 35596 40150 23377 24352 25205 31747 28771 31539 18570 29343 24309 27930 39179 17552 36581 44116 30271 73242 63099 45281 41026 42715 35141 67363 49200 48998 50908 22062 26146 56417 52436 57951 43996 49073 32932 50289 45817 36057 49913 54707 56731 34148 42224 37841 45496 15169 42176 22037 15503 17781 30823 40474 30953 49692 36685 23196 25115 20413 36687 19045 47812 19002 17003 ethanol phosphate NIST 790 152 1049 156 267 841 289 1649 1087 288 394 233 124 227 115 148 2040 576 1871 312 907 869 2187 531 488 247 466 131 2684 369 1591 200 252 174 321 231 257 394 150 289 357 709 254 661 143 297 322 2042 238 464 3302 266 571 202 135 5097 717 917 354 1147 571 449 3131 850 160 252 393 269 259 255 426 838 215 201 1057 182 571 819 527 167 564 429 91 241 253 337 277 541 612 983 1913 1035 205 198 1008 211 489 2012 1165 244 101 158 170 94 276 82 119 82 129 75 66 71 90 0 157 207 142 140 199 795 121 178 165 195 87 213 67 136 90 165 142 121 216 161 152 127 119 103 101 94 151 182 150 106 88 147 83 92 210 86 217 147 133 175 161 118 109 119 152 135 49 68 180 74 140 183 100 108 133 75 94 70 98 114 107 158 75 147 72 107 146 75 126 125 115 270 102 79 117 57 137 93 99 154 135 116 dihydrocholesterol 1362 921 1422 1491 1706 1702 1391 1947 2044 1815 1404 1804 1379 1736 1223 1955 343 535 763 598 697 766 372 720 497 540 675 568 368 537 740 1440 716 1338 904 1202 614 1845 338 1220 1583 1189 1039 1159 1209 594 1159 1074 1007 647 418 616 734 581 404 595 729 412 431 543 621 881 543 395 492 2083 943 2214 2205 1187 868 963 1251 2315 2148 1306 564 471 1010 2174 475 1246 1373 846 582 629 390 347 479 668 409 483 507 571 596 501 714 520 429 399 2691 5577 5307 3658 5020 1834 7835 3971 5385 2063 4124 1626 4916 1817 8160 774 739 976 1513 4312 908 802 1086 1402 595 1176 838 631 807 729 2210 830 3048 1078 2703 1383 3099 2346 948 4389 2174 1278 410 1068 531 140 1096 2844 1362 595 391 1088 742 842 553 1183 691 694 821 1046 406 485 1105 850 695 715 551 724 954 730 816 1090 733 1389 453 776 290 436 2090 5807 5222 1895 1775 4573 6716 740 6503 3662 1175 3446 2472 2157 3806 7400 2683 802 dehydroascorbic acid 58693 40391 37458 41343 55575 51322 43864 43986 46084 51166 37118 48613 37253 45074 34642 44953 45289 36721 53299 50778 55042 73302 40896 47861 52754 41373 50757 53066 63456 39776 49820 34506 27875 46887 35982 45835 32407 39814 38507 40309 40816 30712 62943 40513 20516 30882 27710 27832 30231 56504 36566 51969 55997 46324 40917 57095 51892 60913 64961 52643 48397 44001 33710 56548 17133 41399 22710 31537 26329 27715 19327 40005 22255 34534 50340 31206 14713 36979 18591 46895 37562 34479 32119 31080 44329 69405 34063 48190 39688 57618 57289 47305 55656 59263 37159 52790 33652 42823 37011 50132 1391 1590 2060 1765 2080 1274 1021 1052 1612 1058 1818 1191 1544 339 1624 1206 610 1009 1206 1845 650 1898 1500 1871 676 923 1439 2117 730 919 1462 1251 1998 2992 1595 1247 1324 1218 1529 1153 1510 1698 1844 1457 951 1541 1188 1657 1515 1526 1605 1648 1675 1287 1837 1382 1391 1809 1440 2835 3906 869 1140 1221 1303 1070 1137 1022 2213 1301 1073 1302 837 1035 775 777 738 1141 1080 1777 1991 1450 1557 1279 1911 1778 1955 1410 1598 1382 1658 1710 1405 2175 1231 1553 cytidine-5-monophosphate 671 390 472 702 853 758 627 527 680 680 434 871 615 653 253 597 693 411 930 1319 1206 689 610 1032 966 807 1233 910 919 1007 295 1097 1467 1263 2403 758 768 617 516 328 389 401 522 642 466 327 566 674 568 823 1081 1452 1417 911 762 891 1200 716 1484 950 779 1012 705 1019 555 1028 662 992 898 794 764 629 471 668 762 644 387 763 806 771 902 909 689 685 1056 714 1253 1159 1148 1526 934 1199 1546 913 953 983 954 530 1157 1055 908 736 1236 640 743 43 504 312 463 559 645 601 473 0 621 190 427 678 864 2727 78 587 700 1121 551 680 579 94 601 121 818 488 607 268 952 441 731 500 600 418 794 393 710 514 395 436 408 744 133 420 928 858 161 597 794 527 736 471 472 156 62 197 680 52 788 501 300 619 845 127 241 252 400 400 841 465 310 409 333 777 91 529 417 75 977 1173 172 144 608 142 94 694 445 864 365 528 cystine 1329 1521 1671 1843 1055 1602 3062 1642 915 1860 1333 890 1135 839 812 1252 918 641 658 501 253 581 1375 602 861 784 894 1033 564 928 802 1983 950 809 921 1225 1029 1007 3577 2779 1253 1183 1067 1907 841 1607 934 1742 2507 720 774 832 619 853 840 791 1232 1110 805 1448 1356 578 884 725 651 1761 687 1876 2394 889 1638 1506 1289 1613 1288 1863 721 1291 1065 1070 814 1256 945 928 782 916 501 850 930 967 857 835 611 715 769 737 714 1358 1868 1065 3273 3012 3330 5333 2270 4797 2021 4073 3362 4732 2991 2926 4997 340 4424 5702 2904 2056 5996 6306 7451 3764 3380 4836 4346 5642 7943 7487 9172 7063 3929 7558 7695 5766 3506 7196 2332 2572 2268 3085 4987 4037 7347 4579 6572 8924 5455 6617 6941 3838 4669 5788 956 4517 6696 4066 9022 8522 1336 12082 5013 3586 2640 1261 7731 13113 11446 6413 6656 5701 4884 6443 6686 9922 6602 8816 10379 10871 4935 2040 2854 3258 3136 2410 2223 5783 2336 4681 1832 3663 2573 3443 2329 3129 2494 3149 cysteine 862 1738 373 436 856 551 428 521 1073 538 2568 2057 2965 2249 3424 2427 819 667 637 343 415 391 1015 559 794 795 204 633 535 694 518 284 243 620 957 667 391 576 1052 625 1889 649 300 426 725 358 370 265 972 531 351 267 524 610 462 441 333 885 554 428 147 380 676 558 536 324 723 931 707 358 655 1566 364 252 1569 716 529 1355 622 1539 547 748 949 990 123 319 302 198 452 422 632 505 491 594 244 510 370 242 315 345 5145 2539 2543 5235 4186 13729 3168 7844 4878 6962 5888 3941 4515 1333 7343 1578 3185 2987 1872 3320 6442 2306 2534 1663 3614 2788 4972 4912 8740 3092 6600 10065 5635 6451 7004 8257 4517 4696 5492 9924 5125 3811 13218 7158 10424 14843 16150 13073 4341 3181 1448 3111 768 3813 5016 1615 3090 10703 4991 13946 10891 9594 12655 4674 1524 3161 4937 3806 2370 4518 2701 6066 8083 6309 5191 9548 14104 6709 6380 4223 4149 4731 5638 8093 4341 5856 4134 11384 2515 11278 5566 4351 4786 2552 4821 4311 creatinine 10590 5469 6273 6748 5534 7259 6945 10542 11029 5928 8985 8781 5908 5535 6587 6805 7491 5071 5048 4874 3429 5226 5105 5043 4930 6869 1826 5330 7460 4674 8184 12394 9530 18096 17839 8010 8267 7547 9173 16036 4962 14035 35430 12974 8002 23713 17092 10001 9696 8608 6502 2647 7104 5543 3005 2774 3262 3838 5732 6026 3655 5077 7060 9051 6396 7401 8617 10461 8838 11967 6833 6646 5934 5579 6112 7272 8872 11901 7277 9244 8461 9823 6592 8850 5614 15439 7242 6489 7493 4504 5266 2867 2668 4799 4385 10339 6126 23153 4919 8486 259824 281393 615642 412098 606386 538001 189327 351562 341640 499948 452594 378145 256392 343191 870314 997806 988796 735974 453614 259473 266695 312639 378372 220170 239005 409043 369633 559367 456080 257337 686417 814039 813050 506925 675535 381933 330590 380967 411707 468044 514471 586830 746240 591089 360988 707192 403769 459613 549772 338942 479254 544761 338695 446469 340493 237073 336868 550319 326792 608073 309617 461150 362087 279719 878005 706646 612428 565704 187145 263299 310005 352595 347246 566355 667339 1032672 456699 917153 374013 497994 911451 547994 457656 409906 542699 339642 408523 479462 518827 811580 410702 803848 353270 683571 448139 284813 conduritol-beta-expoxide 290 191 156 248 220 197 175 171 178 221 170 202 147 145 195 178 184 279 434 434 322 416 169 324 278 266 263 511 547 311 415 499 2804 5318 4210 3079 2901 601 626 1319 921 2068 3434 3282 191 4533 2053 3221 2846 360 414 322 461 418 275 280 367 299 332 486 453 441 445 339 272 374 307 215 190 503 346 183 147 225 273 217 351 357 471 243 386 187 219 3071 1279 3664 3587 3539 3911 4145 975 1028 865 862 2403 2382 1640 3973 3647 4324 630 468 520 631 1329 403 426 522 420 587 921 432 491 0 745 1427 1188 2260 1375 2081 746 823 1096 930 537 1215 1325 1047 81 775 14929 20590 28098 10654 17464 19213 2761 3909 3241 4660 11942 19166 14944 24327 15071 11977 18656 14246 1671 621 1314 1528 1500 1578 873 876 946 1031 1236 923 133 552 1140 843 12676 23128 11666 23337 4812 2298 4631 6063 16353 14187 13474 7985 15189 18680 779 990 1136 708 995 613 1038 718 838 803 827 1877 510 1843 347 1749 1077 1072 citrulline 2264 2383 633 2208 1696 1488 1688 1938 708 2266 826 1362 743 1270 706 789 2100 1644 1592 1632 1667 1646 1687 2075 1940 1312 2078 1973 2044 1930 1953 1231 1127 1269 1450 2113 1026 1503 696 1787 1493 893 1941 1067 628 2303 744 1063 1207 2039 1607 2010 2401 1317 1849 1419 1670 1946 2337 1381 2124 1962 1476 1205 815 1575 1071 1208 1408 1838 2205 1634 1098 2288 1685 724 1808 1101 1971 966 1675 976 1320 936 1985 1769 1939 2437 1940 2364 1888 1702 1749 1732 1903 2072 1906 1315 1839 2139 21741 10203 12925 28603 9700 41959 5910 21614 11137 21869 13943 12587 11346 6546 18658 22213 11880 10879 11867 10209 14276 12899 7866 13221 12598 11156 19668 78147 41921 11582 14852 31751 20049 20691 12550 39065 12562 9359 22711 31636 9282 9646 32450 31385 44923 55344 48052 19315 11946 10803 13305 12083 9183 12997 18284 11532 52182 35040 9908 40691 33547 26568 41965 23111 23042 26943 26469 22304 10921 11212 9070 12783 12612 18596 34587 54268 46946 36784 11682 8374 13550 12453 14052 16920 7062 12835 5270 35591 16347 29065 9386 18915 7832 7509 9425 10510 citric acid 4360 4562 10634 3524 17996 7720 990 2778 5355 6175 4775 14340 10517 19118 10393 2525 8450 12478 11695 20160 11365 18884 5999 8443 10385 17188 13746 14877 7115 7738 23719 5037 20406 18706 28481 31379 18891 16486 2145 18576 10807 4761 21271 6043 8489 12634 10729 10942 2464 12618 10124 10414 20663 18760 6799 7951 11986 7553 15418 6840 7292 16117 16527 18515 8348 25911 5935 5000 5133 10227 8419 7013 1375 22892 31677 1892 18083 9501 12974 32413 18154 2933 7040 18829 13257 12307 8514 7381 18897 13642 9185 8707 11871 10832 13129 6925 15689 11959 9799 8486 137675 76667 120838 99529 99397 70790 75559 78134 79477 112954 90212 85361 75865 83095 82517 44539 48988 82090 54872 72036 29980 52150 41711 36200 28427 64267 49391 59684 31757 24060 155091 141144 225594 245441 176601 118629 77373 71374 102256 78023 152956 145674 172520 135107 104416 131467 125873 159933 40617 22952 54589 39733 37606 45471 32395 27878 52623 150081 156716 164947 56964 104087 140899 108023 58504 50071 65018 39623 65434 113723 92070 137750 210565 108333 39236 60165 43385 48865 76651 95654 135065 83757 73053 91499 103809 48462 115099 117712 121773 125122 74774 122662 86639 156595 89419 78520 cis-gondoic acid 163 173 98 94 169 94 106 226 138 199 127 71 119 126 83 157 144 112 188 167 180 172 99 195 112 138 147 161 109 98 104 108 125 195 111 97 129 187 159 230 197 103 154 182 124 184 434 116 178 125 100 93 145 217 109 183 267 97 125 111 119 98 160 109 73 214 119 135 155 108 77 239 492 93 232 373 106 138 178 192 201 176 79 94 171 129 134 79 135 173 130 188 197 85 134 118 182 157 139 130 334 197 344 264 392 329 412 170 373 196 313 139 276 0 195 342 130 216 162 599 141 246 223 285 138 144 162 137 190 147 230 334 486 854 537 296 138 186 143 349 286 620 217 462 238 257 299 238 377 163 263 291 190 203 245 256 245 259 145 279 138 124 136 253 324 399 408 350 216 230 186 244 242 277 249 108 202 212 179 408 506 109 37 370 379 370 434 471 222 291 614 377 126 11 42 207 cholesterone 724 561 98 1075 88 122 1561 103 73 619 81 92 70 62 70 56 322 128 190 161 127 97 77 143 103 138 120 241 95 154 230 1712 1564 165 2772 1989 557 106 55 468 116 1239 572 752 1323 4739 690 1293 188 232 86 152 319 209 236 166 213 100 435 155 2073 354 1030 104 318 253 2222 93 1540 5310 8924 63 57 8799 112 137 9074 121 8212 93 175 126 224 91 919 342 450 364 182 331 105 110 139 140 144 109 311 480 670 358 103 141 89 103 270 65 93 45 114 103 93 57 89 0 117 137 81 1044 103 911 82 86 146 200 85 140 101 72 94 123 132 71 139 92 428 85 140 181 74 67 119 88 94 69 91 69 69 94 169 74 138 161 141 115 106 90 114 95 58 139 29 45 83 51 155 115 96 183 124 94 78 69 69 88 45 129 96 143 60 158 229 96 109 66 116 141 123 105 128 116 54 457 46 481 284 299 cholesterol 421431 313503 383508 480739 520552 534962 323929 484384 445861 383837 411847 516205 400136 453006 436867 508302 226138 246582 276811 180206 201521 248267 169002 207133 161583 205595 217912 234503 266305 241722 244263 536082 468250 766967 667727 471176 561994 508050 455099 518378 477268 499672 682395 494476 504253 533145 452484 510950 468495 247533 156738 201924 291556 252972 193746 200302 232667 218055 241955 236780 245864 369168 251726 239347 177938 636490 448409 687386 751204 525501 269816 521830 374302 620899 575546 408316 292673 581926 279442 642692 610357 604660 435177 550859 250563 252081 191287 200543 291778 250590 193150 218140 186684 216605 243161 242598 254583 263637 297310 234958 728837 1158902 1032571 835606 1161734 771491 1259031 577419 1027521 683398 944426 789713 993881 841379 1329579 453545 304246 381898 503515 1172391 420558 347622 388175 569801 281631 528537 384378 315383 378281 404779 674895 611101 972762 735607 926962 714991 863992 979187 694584 1035809 1058417 1208241 745716 786431 302597 559253 643759 863165 504613 269546 471222 480646 337485 435762 450511 420733 329084 324642 367373 466412 198807 214892 486296 420086 388894 403790 278703 381487 495543 319651 387570 497183 338287 648721 346459 382578 245470 240562 702195 1294843 1137904 751157 634513 1102541 1213981 1503911 1340828 906667 640832 741346 760109 1102966 888279 1239240 816048 688026 cellobiose 25689 22466 97710 38131 17875 21637 57150 36201 18534 19345 11293 15849 13237 8333 6986 37841 18120 13293 16817 6983 10284 12530 18074 9119 18379 12218 10515 13343 11011 12002 8194 53733 17328 19159 7270 11573 29987 14656 38717 14452 9990 31734 8177 44792 25912 18258 82575 35657 74027 10382 10258 20339 11219 10384 27950 18156 15210 16626 12527 33412 40267 17172 15420 10356 14796 17349 34122 29422 46975 22261 33103 20982 102255 8372 10525 168995 19977 20238 52551 14653 17151 53998 24673 27751 22683 11082 23960 17280 21108 13697 20005 15647 8378 14449 17062 20903 15709 23017 25838 27263 822 1187 1191 736 1468 749 899 688 1088 577 963 798 998 0 881 1248 540 1008 799 1003 1200 1601 618 1173 972 793 1023 720 853 1183 1187 807 1528 742 1007 702 607 697 789 880 839 1205 816 856 430 772 363 663 848 1070 1860 274 631 997 706 568 604 311 286 724 444 304 341 214 1153 1528 732 1414 886 426 599 518 384 1371 400 378 599 754 449 1387 1314 834 795 906 1128 774 1143 749 917 581 949 848 990 1337 785 598 capric acid 236 291 263 295 330 370 164 493 271 299 219 307 201 207 210 260 173 474 676 325 447 571 163 529 437 434 519 430 520 338 278 309 275 389 493 363 199 275 249 231 213 211 429 287 323 460 146 260 326 611 157 479 554 479 365 346 556 493 456 484 411 387 564 527 296 407 371 229 279 439 403 286 137 462 454 249 407 306 643 204 331 206 272 259 427 302 381 500 424 523 294 369 388 500 450 314 472 517 376 392 1020 774 1307 868 890 904 796 573 1342 684 953 593 848 0 1252 3444 4566 4888 4177 5712 3752 6013 4687 6075 4909 2840 5263 2768 3380 5439 1229 1818 1730 1388 1090 1543 1007 885 713 762 1130 3109 1007 1715 1385 991 1543 1073 3340 6044 3018 2810 7482 5628 3976 4839 2440 968 7591 3246 4948 4824 2662 6669 2783 2951 2744 3236 5919 5099 5498 2949 2567 646 2610 2234 1952 1490 526 1183 1012 709 699 931 1408 969 763 781 460 1095 778 1013 615 1428 672 611 butylamine 10740 9952 8824 9312 13094 11554 9737 10363 10444 12716 8941 8859 9787 8911 9387 8213 10138 15351 15931 15165 17085 18710 8975 18049 12746 12936 14091 14408 16940 13608 18175 11069 10631 13054 13438 11773 12268 10895 8594 10657 11791 9182 13171 9123 9197 14481 11858 11723 11044 13707 11204 15134 19552 18166 12585 14376 21313 10542 16285 15398 16137 16106 20128 13995 12498 14757 11833 9125 11270 13787 11813 9634 6295 11343 15995 9760 12664 8222 18565 10957 15132 10189 12770 10386 16265 11281 14510 15085 17104 23142 13364 15521 15380 14436 15216 12414 18898 14876 17121 12468 12991 13558 20046 13035 15483 10116 12423 10472 12386 11037 14671 11562 12539 11883 10034 22820 11870 18014 16894 49135 11813 16666 15663 25236 9763 19026 15345 14005 13731 14312 15860 11368 16017 20156 16981 12801 12522 9917 11009 11818 16974 12732 13058 12895 11797 13559 9752 13446 16926 8757 19425 14940 13427 13754 17665 13131 13113 13998 15218 15121 6909 8061 21401 17919 18668 17433 11645 16793 19006 12437 11097 14745 13406 14640 14557 15798 10154 16741 6606 16035 10857 13096 11738 10979 14019 21005 18307 11057 14039 9487 9592 14551 10759 19235 9897 12150 beta-sitosterol 986 1152 1658 1729 2689 1460 483 1804 1405 2115 1247 1895 1621 1094 1633 2057 318 299 703 367 478 667 299 521 506 476 349 338 349 318 514 1397 1065 1124 1170 1281 1469 731 1228 1073 1474 1104 1064 1115 620 873 1149 1443 449 384 250 333 614 371 359 525 460 354 448 384 531 438 559 442 287 1277 718 853 886 555 392 1143 1247 1107 1945 727 300 1306 608 1219 1367 1632 698 867 402 628 588 343 749 523 548 410 429 686 311 403 380 393 416 496 2878 6179 5072 5440 5410 5288 7795 3515 7383 2801 4988 4243 4629 1231 6074 638 475 579 1197 3199 908 695 699 1248 535 1270 459 332 534 712 3178 827 2382 1317 3420 952 3563 3206 2790 5405 3908 2562 2216 2048 744 1226 953 3126 1011 451 887 708 505 1059 1045 997 550 407 509 660 263 298 759 600 638 666 521 841 919 702 691 1076 528 1299 426 302 422 582 543 2454 1669 1010 873 4380 6439 3085 3159 2145 968 2038 1195 2763 2279 4087 2388 906 beta-glycerolphosphate 2105 1379 304 2790 1546 1158 1795 1413 1403 2990 1550 2009 898 1420 1262 1069 1465 907 1588 646 1097 857 1304 851 745 902 1382 688 953 1043 1106 2130 2043 2164 2278 3013 2722 1503 1082 1316 1363 1353 1754 1251 1409 1598 1088 2208 879 285 744 1468 2323 995 893 1402 1162 849 1325 800 2010 1921 1041 625 333 3894 1756 1895 2206 2127 2351 1982 430 1523 1097 594 3430 616 3240 1658 1836 1257 307 1261 1841 1056 1197 821 1299 1250 897 1453 998 1071 1635 1320 1131 1123 1555 1278 503 399 730 373 560 365 367 314 457 369 207 464 304 0 562 591 126 525 431 957 335 331 328 526 249 482 301 403 318 184 445 498 637 522 213 1016 469 417 424 413 425 468 518 587 260 385 383 368 432 242 311 407 304 259 331 307 415 307 251 299 227 223 327 255 469 438 346 368 309 233 328 461 447 361 956 449 366 430 299 434 612 332 286 417 504 361 537 394 481 248 291 535 388 715 482 337 beta-alanine 3009 1909 1765 2010 1332 1073 1825 2035 2000 1261 2127 1108 1417 1106 1671 1475 4196 2534 2111 1372 1625 1464 1898 1837 1662 2638 780 2339 3978 3542 2548 4096 4673 4367 7959 2101 3907 1315 1330 1681 1628 4310 3730 3959 2359 7563 2348 4569 2706 2860 4085 2022 3054 2637 2030 1253 1014 1988 2401 2879 2856 3220 2644 2371 2404 1852 1289 2283 2138 2439 3953 2223 2331 1998 2350 1674 2078 3690 1345 1690 1966 2898 1953 3198 4563 2264 8360 6688 4518 5384 1883 1839 2107 1363 3981 3085 4525 5025 6332 3834 783 858 1468 768 908 1161 731 769 753 1049 1042 882 552 0 1343 1463 976 963 707 1954 877 937 952 640 741 767 955 1771 738 750 1249 877 1612 902 1211 887 958 783 1049 880 1146 805 1557 735 887 1128 1014 978 931 734 748 953 612 670 1112 666 1346 947 736 815 631 551 1605 717 1157 752 1080 790 1031 680 794 1003 671 942 747 1207 786 1230 478 759 927 782 712 835 1044 1214 834 630 442 899 498 962 564 709 588 699 benzoic acid 2489 2803 2317 2317 3605 2854 2580 2675 2451 2809 2316 2063 2312 2293 2182 2022 2767 4347 6076 3964 4470 1821 2505 3397 2540 3068 4303 3821 4350 3314 4548 2869 2707 3407 2012 4209 1855 2917 2075 2961 1762 2602 495 2295 2678 4293 1789 3078 2913 3391 2547 4220 763 4805 3128 3918 446 3122 4386 4443 3273 4687 5427 3909 4118 3103 4031 952 2930 4103 2794 2718 1775 3310 2428 3122 3635 3458 4146 3569 3713 2550 4447 2615 4362 3006 3695 4277 3881 5188 3252 4291 4566 3779 3664 3540 6116 3945 4586 3185 10907 11292 15420 10987 13894 8243 11220 8144 16900 9859 15971 8687 13883 10261 13387 17213 12309 15815 12573 19869 12610 15004 17241 18915 11891 14735 13124 15458 12585 11411 14131 10047 12335 16562 13843 10598 14240 11469 10440 9736 14439 17238 11835 12116 10615 12450 8623 12173 14489 11233 14538 12508 12525 14827 13737 13460 25719 14195 14267 13409 9087 7542 12270 9202 14488 15592 13800 13008 16210 13121 12567 15531 15602 14297 14912 13279 9304 14859 10606 14170 12966 12717 12162 12562 18254 16757 14489 10935 12570 12084 10872 14046 10926 19856 15071 16203 behenic acid 849 865 893 971 1148 1150 1031 1043 1078 1131 954 931 803 911 903 926 842 1135 1180 721 1024 1341 1009 1276 1125 1131 913 962 1140 998 1293 937 1100 1425 1020 892 1153 953 843 959 784 802 907 750 722 1189 841 1343 572 755 803 940 1310 1186 1022 903 1431 911 1113 814 952 926 1153 967 1027 1138 951 829 984 1405 940 797 549 642 1077 526 891 1019 1669 941 897 855 656 923 1026 866 1600 932 1136 1188 891 1130 1055 1208 1042 801 1051 3813 1329 3247 1366 1347 1524 1167 1606 1104 961 824 1468 1110 847 1325 1053 1173 1114 1778 1108 1638 1698 5251 1178 1792 1607 1992 1205 1696 1469 948 1500 1269 1059 2067 1712 1564 1067 2528 864 1978 938 1114 999 2763 1036 1984 1552 995 2070 813 1283 936 1662 1411 1348 1334 1597 1364 1062 1210 745 1376 1000 1055 1166 1215 2512 2517 1488 2417 1499 972 1388 1582 1281 1407 1660 1030 2096 1355 989 1574 909 970 1544 1020 851 1533 1356 1297 1410 878 1269 1252 1048 7335 1198 1022 aspartic acid 28061 35504 2885 32104 18687 17102 7234 15283 25202 23479 38032 16469 27966 30814 25904 18465 61259 40236 28456 39914 27224 23418 22880 32660 37793 41530 43387 28400 39740 42373 59016 43478 48320 47983 46558 63002 51387 26336 14687 53668 27397 44142 90285 36847 49497 62603 24317 60032 15250 31790 74275 37941 25112 41878 30980 18168 9761 39094 28774 15645 24376 41573 41579 38934 29722 39431 38590 30531 29469 46286 34582 25233 11089 61769 26406 27755 52271 35037 42584 41849 52282 16048 49711 76773 46112 66413 49698 34705 45105 46159 25088 17635 23301 24836 39826 65565 50520 69278 36393 38278 26051 8213 13994 43872 19606 90625 12383 39527 10173 29657 41388 17099 22452 5893 47663 23527 3775 7962 14550 10013 23480 8679 10771 8367 8031 10524 15544 99852 51895 8914 20230 30207 10180 17303 12651 48765 9465 13052 25696 104188 35450 10921 51497 49202 81300 94019 88433 39753 10452 8085 9890 10396 8113 9443 16649 11258 57540 37583 8249 32101 79321 58014 64035 18573 11151 18950 26559 15031 10295 6961 9487 18230 10438 26318 49000 88163 118773 51482 13630 9609 16969 7506 8573 42501 13347 14375 20457 77408 10618 72349 7359 35660 8209 11464 8824 8740 asparagine 2060 1872 1571 1895 1574 1504 1915 1747 1919 1341 1880 1398 1930 1661 1609 2027 3336 1859 1707 2203 1879 1815 1936 2124 2090 1698 1507 1825 2052 1968 2024 2261 1346 1988 2915 2115 1579 1059 1519 1628 1610 1973 1647 1946 1991 2453 1650 1912 2078 1620 2358 1735 1669 2004 2264 1463 1543 2435 1460 1764 2132 1907 1882 1653 3896 1443 1483 1174 1656 1654 2324 1978 1077 2099 1725 1161 1564 2373 1829 1646 1391 1683 1336 1886 2185 2058 2162 2073 2199 1951 1665 1363 1506 1722 1746 1855 2219 2056 1860 1814 12908 10480 7715 14584 10507 20803 12457 22812 13508 16038 11687 14441 11909 9244 10523 5212 9479 5625 9090 9177 8731 11574 5058 9025 12404 11903 9971 15876 12663 9502 6715 17472 12139 8210 7608 24588 11463 16744 15971 22649 10764 11398 19661 16831 32042 17855 30874 13227 7585 13113 7956 6702 9696 8273 10667 10727 12034 12124 11429 13627 20175 18803 10232 14101 8146 16940 11963 13806 7961 7172 8389 9036 13382 8109 12844 13637 22361 9010 18982 7618 7746 13807 14619 18188 8425 7049 7725 21370 17311 19400 15270 8416 18182 5606 14090 17663 ascorbic acid 2905 1694 2314 1403 1552 2155 752 3046 2324 1027 1370 1856 1108 1643 1299 2228 1465 1292 651 374 434 575 452 437 332 1446 569 577 617 362 516 995 449 2090 614 1551 1013 1977 2007 918 2325 465 1089 999 288 327 525 529 1140 677 444 823 567 625 1772 569 969 465 626 458 530 2096 1247 538 331 880 318 1477 2184 425 1359 1884 1113 1530 2710 961 224 1725 385 1251 1081 1657 627 1477 500 761 1769 1845 674 465 2545 485 503 809 592 604 340 466 557 588 4321 4600 7065 4783 5546 3867 4627 2949 4530 4244 4615 5113 3878 2719 4146 6352 3452 3581 6102 3591 3517 4194 5051 6558 4357 6139 3810 4030 3959 4103 6035 4455 6023 4154 6341 5070 4348 4171 4747 3567 5231 5184 5017 4586 2461 3785 4362 5427 5543 2789 6923 6848 3487 4548 7957 5339 5472 4052 3745 4431 2043 1990 3954 2451 5379 6419 4577 7008 6144 4177 5247 6057 5155 5507 5126 3530 3390 5338 2894 6422 4641 4042 3500 5652 6322 5469 5736 4424 3720 3402 3757 5451 3613 5871 2761 3163 arachidonic acid 11110 8556 27834 18871 11671 16879 16219 22933 17851 16754 12729 17115 13866 17084 14852 22857 7807 10929 15237 9073 9233 12406 9650 9312 7592 11100 9283 8696 9848 9678 7824 9761 7863 12008 8938 5554 13044 18687 24752 11113 16127 10067 10840 14123 11358 10723 10896 14063 16959 8739 7671 9082 13697 7924 7136 10578 7892 9057 9076 8718 5770 12111 8961 11714 6099 14288 6681 17096 11780 11856 5057 20711 31423 7527 16545 9443 4157 19474 5125 16174 14585 18355 6134 13561 7572 8156 14334 5599 13161 7554 9744 6521 6503 14178 9421 9064 7408 8276 9646 7375 9259 11061 18170 9138 15872 12548 16001 7921 16431 10916 12987 10727 12796 5701 16825 11246 3691 2000 12855 5032 11797 7637 9282 14438 8425 11796 7603 2656 4437 1119 12116 7244 8625 11238 10312 7922 11362 11430 7999 5208 13010 15500 10803 9978 5248 9654 9686 12480 15667 7748 17463 16811 14675 11348 12908 13758 7647 12629 12332 13306 7353 8007 13062 8649 4225 9288 10532 9311 8714 6401 7959 14580 11910 12174 9116 8420 4771 8069 8355 15813 13087 9040 9162 15793 21259 10137 19610 14012 7136 12888 10869 14338 11475 21561 14114 9197 arachidic acid 2003 1678 1677 1799 2288 1964 2217 1655 847 1964 624 1881 1050 705 1134 1767 2275 1974 2721 2806 2436 2464 2228 3057 2234 2736 1720 2476 2649 2287 2520 1971 1633 2237 1690 1147 1531 1429 1485 1264 602 1213 1673 1688 458 2182 2442 2223 1418 2607 1653 2111 3024 2923 2406 1538 2639 2374 2737 1970 2039 2749 2271 2292 2456 1626 865 1476 1309 2059 1028 1765 1774 1541 1533 1782 1273 1554 2151 1520 1563 884 1073 1688 1873 1601 3565 245 3426 2274 2048 1654 2609 3308 2081 2021 2569 2068 2995 2223 4381 2521 4381 2440 2224 2962 1548 1208 3597 1831 2947 1997 2405 2169 1972 1390 1580 2187 5374 8716 3679 4570 3270 5685 3828 3386 2700 2520 3272 4256 2759 5812 4928 3145 3717 4724 3036 2324 1677 2238 2787 7158 2721 5173 2965 2463 3970 2636 3782 2258 4352 2737 2840 1859 3555 1373 2868 1091 1947 2875 1489 1596 2053 3042 2618 5921 2121 7903 2368 2014 2678 2840 3444 2305 3862 1546 4895 3772 1568 2393 2489 2253 2308 2707 3682 2927 2202 2014 2252 950 2918 3036 1449 18341 2165 1882 arabitol 1341 1592 1142 919 2249 1592 1100 1148 1567 1097 1637 1236 2717 3469 2836 685 1000 3418 1945 1214 265 1474 578 1008 893 4301 1120 1591 1764 1806 992 761 1910 2198 968 445 1804 1496 1067 1456 868 748 844 528 4954 2197 591 1103 667 781 5705 750 779 1068 925 749 574 658 849 1594 844 1348 1609 719 2890 633 2958 613 734 1787 1916 959 622 731 628 528 7472 557 1860 428 1565 480 1184 1140 858 1415 2660 768 2085 2331 830 1077 1168 789 2410 890 1836 866 3008 1038 3669 1810 3217 2922 1989 2257 2283 1651 2225 2291 1790 1831 1327 769 2021 596 2300 2175 2669 2801 2256 2630 2717 1509 2206 2401 3447 7193 2776 2028 3121 16135 21445 4103 4357 15869 2877 2114 2701 556 2892 11930 4092 11996 11393 1584 8085 3091 1174 927 3866 3373 3285 2793 2704 2195 3582 2865 1870 3812 1672 2540 2612 2960 8068 26798 5537 19324 1950 1369 2542 2933 20737 4320 16036 4433 15684 5465 2236 2372 944 3113 1630 1218 2646 1855 768 2650 3665 3394 3141 2339 2571 1813 2700 2797 arabinose 3175 3400 12262 4794 2882 2805 9208 5845 4813 4974 2912 3766 1799 1134 896 4921 10780 7078 9027 4471 3330 7081 9660 7039 8385 8767 8776 8564 7179 7833 3454 12244 13474 4387 20416 3240 2884 2359 7838 2472 3369 6242 1426 9029 4281 3375 5602 5036 16258 7955 5959 7994 9207 5212 13330 9112 4962 11055 7466 19309 17745 6209 8524 7092 5122 3188 6592 6375 10089 5036 8255 5775 24636 3095 1178 6539 1562 4490 4934 2486 1979 8396 4000 3688 10843 7934 8917 11286 8381 6253 7537 5941 5929 7763 6453 12470 8010 11249 17458 12795 7179 4629 8243 2702 15996 2875 21687 2628 13937 2630 15983 8736 19429 11533 4113 4843 874 2454 2823 3741 2550 3233 5327 3652 4203 3716 1794 2173 1596 2565 25099 3971 9835 26125 26391 4644 20162 22336 5553 5320 28886 29847 5733 8288 7392 2589 4283 901 6189 4447 5854 13955 9314 4625 5496 8193 3410 3929 25473 3765 3200 4268 17277 17416 4774 5269 6362 7130 2709 5550 3992 7450 18521 7463 4369 2194 2850 3454 18077 34030 12906 988 12990 8152 41482 8166 49930 3748 20586 3395 18284 5371 1551 27307 20842 1464 aminomalonate 9654 8704 6362 7793 9163 7022 9854 4857 4865 10484 7294 6521 8047 6380 7286 7584 7812 5187 4131 4497 3264 4339 6065 5144 5560 3305 5448 4073 5084 4044 3504 7756 9321 8398 9085 9301 9806 6744 6698 8741 5552 7268 5434 9109 4277 7829 5127 7499 7617 5199 3317 5655 4898 3091 7450 5741 3892 5584 6608 3550 5692 4532 2187 5489 2201 5459 3816 4577 6748 6466 7661 6536 6832 8763 5652 4548 4480 6576 6269 5961 3497 7706 5592 5275 5816 4505 8913 6606 7906 5245 5677 4886 5795 5401 5295 6700 5935 4188 6250 6916 7819 9310 10606 5694 8160 8275 11729 9602 6298 8427 7866 6118 675 4564 7352 7554 5474 7478 9696 6635 6248 10324 11960 13342 5367 12279 7325 7403 6314 6212 13581 8068 7747 14170 9264 8957 7955 7700 13365 7304 8420 10681 11332 11201 9777 7866 8231 10882 12058 6047 14511 12989 8392 8409 11492 8799 11456 7502 4239 9235 6244 4070 5898 5234 9285 17225 12509 12824 12461 6828 9698 11350 9486 13655 11820 1688 8304 13607 5849 10065 8873 8542 5719 10312 14729 7557 13150 10279 4867 6495 5864 12144 5079 11275 7020 314 alpha-ketoglutarate 153 226 125 199 217 274 254 246 216 226 172 246 204 279 121 138 503 675 532 633 772 692 238 639 710 743 801 469 746 831 880 331 364 327 296 291 209 184 167 134 271 217 215 183 193 273 228 256 194 483 1572 540 607 871 229 505 618 403 458 567 242 1268 1147 588 705 213 146 159 216 189 160 224 161 165 283 109 158 330 208 159 258 156 182 324 611 689 1523 891 967 1537 327 410 546 361 1380 674 1648 630 754 377 1316 1688 506 1347 4764 877 758 803 523 1256 2225 4946 3674 0 487 396 2020 2308 756 2017 911 847 745 822 2570 938 992 2035 569 805 925 4678 662 581 1736 4372 845 664 955 354 2556 3227 1742 3546 3936 1297 4789 1178 716 3932 1580 596 4401 582 706 756 448 516 12258 414 3742 4305 3378 8023 476 3727 891 4318 506 2894 1047 535 9565 2031 769 463 2783 810 5808 486 592 4027 835 656 371 659 426 2179 5106 896 4604 805 5109 1534 3452 6883 alpha-aminoadipic acid 1027 1349 74 481 1960 1012 510 916 1556 810 1643 795 2571 3360 3071 377 605 3335 1476 727 481 1154 954 677 136 4670 702 1214 1363 1620 1270 201 404 381 473 305 634 1290 656 1255 677 455 483 193 5355 2877 199 395 172 331 6285 340 267 673 759 350 411 332 318 1241 310 775 1187 299 2576 297 3006 294 356 1312 1031 662 255 281 497 249 7878 368 1152 256 1364 414 916 230 238 396 330 428 468 304 487 826 315 429 298 219 415 389 374 203 2435 1409 2010 1084 1726 1678 1629 1469 1446 1612 2173 1399 757 0 1637 2799 1762 1570 1054 1845 1435 1356 1416 1391 1386 1705 2160 2209 2313 1574 1348 1111 912 1899 1249 729 1651 1781 1634 1448 1242 853 1531 850 675 2506 448 1505 1550 1684 1800 1529 1756 1877 1583 1111 1968 1920 1872 1796 1800 1482 37 2166 1396 621 1153 1048 1444 1708 813 1535 879 1158 784 2327 1106 1815 1508 1213 1525 1993 1313 2022 1289 1411 1197 969 2148 1598 1781 1285 772 1225 1580 1675 allantoic acid 718 80 542 449 256 389 545 560 286 579 413 375 387 313 248 639 783 494 500 458 445 488 410 456 656 505 732 729 858 462 516 535 245 506 1168 667 417 455 570 670 608 638 461 865 388 560 683 504 945 633 331 651 584 513 762 688 432 665 584 159 659 459 397 460 285 160 319 381 736 427 558 601 808 722 652 354 407 764 425 526 426 506 217 567 711 432 535 747 475 482 599 454 572 598 463 973 495 521 418 698 790 550 1065 908 617 1096 460 976 568 1301 318 358 538 0 1050 1162 550 476 1135 1925 857 1151 184 967 566 1680 1264 6474 1788 289 1779 2140 2879 2442 663 1262 491 527 1960 1684 1762 562 2439 1233 1655 4111 731 2744 1297 793 1381 1127 686 1184 1136 605 3870 3100 598 5197 1231 1369 1846 1163 1373 1427 5579 874 1589 1134 1186 1312 2555 1975 1551 3723 2202 3525 783 885 1588 580 1828 991 969 1339 1011 3066 501 2753 437 447 660 1790 581 818 alanine 147502 731654 232133 117435 258972 290111 216647 315314 279825 174428 741128 594096 734513 917693 914645 523173 113849 269982 263444 173911 119228 263790 187470 216178 147177 305223 129717 252337 212507 194548 161133 167610 561683 199218 276203 329495 261333 232789 645830 264125 282228 565162 114880 126708 812885 440915 67549 308192 453039 93710 184493 142375 150390 189185 183012 129101 278778 97721 110186 141729 157640 201058 255828 113128 124238 152343 1014167 131007 301891 226371 499687 576038 270244 205736 295476 226030 967868 410032 381037 324809 326255 144506 983231 537123 135000 112084 162637 122586 136356 292293 138044 239896 226834 176490 181523 156154 120337 103275 225707 125053 1525664 1161282 922866 920299 734755 1211758 1451442 1756536 1458591 1464495 1129547 1121961 993538 987351 884126 317292 971230 918392 673449 875888 976707 1128996 1186088 688806 979944 631798 780174 536960 795973 892039 1145055 1707750 1017508 829868 1008056 1298372 1600844 1637625 1709837 784426 744597 804126 936232 1156106 1558666 676076 1335116 864577 631745 967190 393353 608133 516557 952961 1051554 1378456 843703 598847 516057 576503 975340 635643 578449 766423 488999 838562 990534 1053431 969529 1455739 1503067 1048263 885073 1027308 1051264 837595 1088663 885333 1774564 923730 1113541 1703649 1868237 1221539 1025212 941389 867148 779038 1128206 851549 1894131 851809 1765877 513369 1770757 1738571 adipic acid 1017 965 530 783 1274 846 661 720 576 831 473 870 830 650 654 979 1587 1269 1646 1543 1129 1328 991 1537 1638 1632 1190 1994 2211 2561 1728 926 852 1202 1301 2044 756 850 417 675 643 576 915 720 837 1487 651 1016 724 2434 3165 2607 1939 2586 1456 1061 1273 1973 3048 2863 1869 3724 2127 1298 2923 814 1363 578 779 1397 1086 655 424 1324 828 1894 3031 1151 1855 1682 1178 696 2711 735 1521 1643 2571 1953 1266 1504 1195 967 1218 1078 2042 1053 1849 1477 4433 1281 554 569 773 679 881 474 419 379 675 461 613 559 664 0 710 1427 1452 1159 1790 4081 1149 1632 1810 1897 1030 2019 1486 1737 669 1562 538 520 794 876 677 580 621 514 396 466 674 581 447 546 509 681 482 408 1361 1383 1448 916 1854 1560 1742 1511 1312 1224 1223 1144 834 1070 871 938 1144 1099 600 1064 1873 1342 1362 1402 904 986 787 701 1000 924 457 715 797 504 720 674 1667 947 503 604 746 483 511 642 523 2069 525 605 adenosine-5-monophosphate 5199 5383 3170 4206 7165 7089 8162 6848 3743 9395 6602 5192 6673 7198 4654 4204 7682 17508 11981 12891 16642 13857 6623 15259 10409 12183 17274 10351 13710 11742 15864 13156 8103 7653 26097 12964 6338 4163 3974 5171 9719 7921 5379 8418 6147 12060 11271 5200 7217 11164 6853 10366 13594 15610 9675 11513 14355 4792 12280 10393 6470 11571 11637 8691 10969 6730 13253 4003 7054 8016 5875 10270 2340 5367 12289 5024 8499 8814 10539 7006 6054 5010 6589 8824 14137 7178 13208 11034 20331 16314 11774 15886 12700 7627 15144 13354 18798 6119 11052 8026 437 811 3433 4453 3277 3464 146 767 112 7062 3340 1692 1333 311 4024 4543 2230 3059 1575 2156 96 705 289 559 791 1337 3368 860 2632 1837 705 5247 525 179 2223 1078 147 539 508 486 191 177 3449 1201 2161 5824 2240 883 1609 145 661 1232 103 968 295 132 769 124 114 173 126 99 1111 826 3226 5442 4572 2139 223 96 870 191 176 677 4071 6546 3224 3452 198 375 4937 1703 282 223 155 254 140 130 1877 4168 394 4136 781 3388 1164 387 adenosine 4114 2465 2392 5839 3402 4394 2694 2695 2870 3399 3249 3460 3291 3552 2884 2297 6162 5206 8546 2294 5571 4350 8321 5324 5723 6552 7215 8161 11899 13673 7941 5413 5933 6011 11326 5868 5522 2866 1863 2699 4762 5251 2468 5721 3858 5077 5628 4879 3131 9219 10910 8009 8930 10745 11989 7548 9028 13290 13523 16254 13100 8172 13515 10651 4531 4518 2949 3000 3799 4021 3012 3621 2511 3836 4060 1227 3206 4408 3691 3980 2901 2111 1389 3367 6478 6841 7662 7373 12189 6105 8408 9012 4571 8393 8499 10808 8894 28403 16087 23469 318 476 1180 796 782 705 103 352 82 341 533 441 580 0 669 633 271 422 2646 980 712 280 232 816 428 972 445 304 455 484 424 604 875 302 646 613 177 435 197 522 205 452 706 262 746 200 622 647 870 330 1415 1622 109 364 4548 187 378 188 47 348 201 212 4861 4408 1085 956 986 653 133 72 434 138 205 428 414 393 233 489 156 637 1547 579 405 244 147 351 96 106 525 429 601 477 468 1019 374 405 aconitic acid 76 71 113 53 138 83 56 108 29 83 45 108 69 122 100 55 56 138 136 115 140 126 67 108 86 111 120 121 103 94 84 176 122 156 146 168 96 79 48 163 76 68 85 78 79 103 95 153 74 80 72 91 123 223 112 92 179 111 141 115 138 95 170 102 65 153 73 70 93 92 66 59 44 121 175 72 132 108 103 174 155 77 91 144 170 153 112 83 166 201 83 95 100 108 123 96 104 111 150 159 440 241 599 402 305 320 325 371 407 522 474 320 357 0 292 344 208 174 451 674 330 180 156 415 172 252 569 1007 366 269 427 345 785 750 329 455 310 287 375 214 410 676 463 337 227 410 429 407 530 247 232 297 262 127 357 249 502 1012 147 1556 434 358 253 102 345 314 295 105 445 217 362 334 182 119 69 182 106 187 398 483 622 394 382 414 491 338 398 447 425 690 412 436 662 508 341 313 9-myristoleate 4713 5898 10383 11605 4007 13474 4672 11309 11840 12741 9387 3226 2811 3239 9459 11708 23784 4201 4513 19141 17401 4081 3639 4451 4857 3137 4815 20132 4628 18852 21047 3495 4015 4271 10044 3980 9534 10548 3468 11054 3531 3365 15249 10362 6667 5932 3421 5126 8715 4072 3689 4230 5173 17308 503 4090 18317 4357 22802 21598 5367 3949 3510 3404 1777 3495 2988 1205 3529 9769 5322 3700 3006 10007 13285 620 3786 10256 5676 3087 10153 10402 3578 8682 3523 17117 4636 5025 4288 5113 19625 20179 20878 18034 4085 4511 13897 4202 5075 4811 1574 1986 3621 1733 1899 2049 2656 889 2553 1357 1679 1444 1963 1335 2339 7920 3211 8436 10327 15068 4702 12684 10897 14379 3300 9608 3530 2388 3591 3968 2648 1266 2560 1847 3137 2105 4160 4501 2785 3471 3652 2375 2544 1998 30630 2409 1757 3405 14162 5231 18716 19149 10141 9801 19750 12505 12034 15412 8266 15872 3675 5567 12270 7256 13116 6580 8841 6559 18742 9973 8043 14108 10607 12025 7479 6170 2283 10695 1088 4403 3045 1612 1388 5038 6373 2681 503 3615 865 2791 1981 3576 1784 5230 1136 1190 6-deoxyglucose 941 525 1786 1077 780 838 1314 850 845 683 1474 953 822 918 520 986 797 811 826 1151 1686 792 1124 1178 1092 1751 937 856 937 1590 3056 1083 1466 701 2654 824 816 751 1520 601 684 1153 674 1778 733 1796 575 906 2291 896 1661 1146 901 1777 1002 1518 1036 991 1188 979 1448 909 815 655 3109 387 1119 706 1099 734 1274 1106 6013 737 285 739 1882 696 1507 474 440 1100 618 667 1158 1559 1091 1272 836 2938 529 723 1137 1641 2332 973 2510 1064 2364 1201 2352 2877 1782 8257 3578 2203 1099 649 2353 1799 9895 6893 8106 743 2153 716 1428 2606 1645 3683 2335 1843 2252 17698 1322 1961 2621 31345 2622 7139 2327 5912 7111 3790 23623 5314 9042 2285 2322 10581 4906 5874 5054 13147 4403 16998 9123 1898 16616 1155 24961 3292 1719 1627 1597 1468 1745 17471 1364 1696 858 1290 1208 1200 4450 6307 6257 3788 14757 1367 1486 1513 4437 4630 4306 5508 9895 5773 10458 1805 1763 13693 2020 2224 2274 2046 2179 1304 2464 1720 286 1714 13423 18223 2085 10292 5-methoxytryptamine 520 378 292 783 442 338 377 553 560 541 418 489 316 455 649 373 572 581 739 606 757 474 337 677 657 503 722 412 434 531 1119 662 625 1507 1091 794 559 397 366 573 515 503 1279 591 516 576 673 421 276 802 507 695 935 945 463 554 867 697 765 692 600 730 1060 962 1391 853 467 601 463 474 279 461 262 533 821 302 310 612 416 697 831 532 1835 574 1012 1805 432 590 578 1405 892 708 645 575 526 677 711 1312 839 924 11691 15903 32434 33196 28034 37939 7961 18014 2483 54302 46796 25833 32792 19837 29746 60129 8191 1777 37176 461 21927 19053 10674 23409 30704 28249 24281 23233 36947 22433 25382 18814 7681 8247 22858 26421 7671 11383 15693 18821 19640 13185 40327 20099 49313 53756 66663 28051 17940 7019 45621 44492 10275 12101 37706 35987 27168 16981 7607 15920 22109 14882 78836 8541 49957 47405 48737 24308 6256 5166 21810 41600 9473 19009 17616 11835 11019 5338 9667 29477 19141 37615 9106 32752 18305 1369 25736 11587 41998 18541 9853 33244 26998 39215 33710 17423 5'-deoxy-5'-methylthioadenosine 516 331 192 248 432 607 325 511 554 465 474 520 254 437 382 363 740 635 619 692 768 862 509 639 633 291 862 454 377 784 982 596 289 408 1095 478 580 554 282 380 458 507 525 706 406 359 511 445 513 530 424 809 889 589 550 481 865 695 404 451 552 436 607 743 545 532 855 381 340 324 200 526 198 332 609 205 155 456 297 398 513 450 174 600 811 537 697 846 833 689 861 748 732 781 519 1024 627 476 459 556 228 212 386 319 116 236 67 150 149 230 106 230 254 0 382 430 254 205 181 605 192 241 212 426 130 309 331 522 282 258 76 195 220 255 95 205 116 181 71 222 203 195 114 72 175 350 169 68 308 181 389 402 218 304 287 218 412 294 184 260 188 192 260 182 268 241 267 442 203 176 314 325 195 328 219 367 277 446 175 374 173 234 139 254 288 235 196 115 325 241 160 62 69 165 186 166 4-hydroxyphenylacetic acid 133 58 54 116 68 89 96 77 61 91 62 61 85 57 135 120 248 331 198 1127 1108 386 310 410 308 1004 263 334 174 528 1765 128 70 86 104 100 66 75 75 82 119 90 156 119 73 143 132 87 101 222 400 460 297 788 404 483 297 414 184 304 273 222 551 539 2993 111 49 78 80 115 81 61 80 94 107 80 110 142 157 66 96 113 93 95 394 254 143 420 245 516 444 200 305 703 555 198 525 330 367 245 723 1700 453 1311 438 264 668 827 276 816 1465 1082 1115 1356 605 1143 899 1152 2003 853 2783 532 1127 1204 2260 1844 2647 2064 1343 2207 413 313 740 525 620 407 674 364 896 345 471 523 365 366 320 293 436 374 963 1503 867 685 1606 495 786 1804 845 526 275 359 736 524 239 209 737 731 697 812 720 1750 2058 669 640 555 314 642 210 406 1056 496 369 903 831 1011 490 711 1058 312 988 287 701 187 1209 364 446 813 3-phosphoglycerate 955 874 307 870 1085 1470 400 653 1219 1434 414 1293 1391 290 1055 719 1158 1075 1112 907 1032 907 860 824 1133 999 1336 734 1739 1365 2087 757 1552 1204 1190 1463 1296 1214 875 1360 1056 357 1401 131 1529 2420 1323 2150 1192 1171 1185 783 1727 1086 683 906 1465 1063 1026 718 1265 1391 970 842 1063 449 2417 924 715 1632 2194 1496 851 1718 827 1032 1804 1242 3334 787 2044 1462 2371 367 1523 921 1173 1295 1002 798 1134 386 1405 1122 1709 1223 1161 829 902 1059 241 368 1999 975 1442 1151 201 640 344 1261 665 604 335 0 4191 933 186 5729 372 1268 132 347 563 112 102 482 151 102 90 124 746 1915 1674 503 3056 464 741 1707 1006 976 605 522 1507 886 188 1693 253 576 255 75 213 347 109 686 123 108 462 618 1796 1065 143 2539 1641 2039 209 182 204 132 176 485 439 1142 1668 792 428 1182 278 795 452 464 4382 309 660 701 1408 565 910 116 1832 2911 874 3655 547 2655 1217 734 3-hydroxybutyric acid 11343 291 6522 5130 7277 7457 3429 5706 6114 3044 3868 6352 4198 4299 5409 9895 18144 2475 15355 9829 14561 11863 13147 11423 13450 17425 11105 14075 18952 19719 8313 19241 9915 14125 28056 16566 7581 4801 2866 5181 10953 24460 10655 23266 6181 7948 27780 11264 23463 55119 26271 26148 59606 25282 10797 10568 13524 22633 70418 41930 48543 51105 32942 29689 18128 26606 6185 19559 16772 7288 8215 8755 7262 8583 19211 24211 6062 25535 778 19556 6523 33267 2421 4815 49082 38890 19426 48195 19868 18938 14026 7733 16280 10803 27054 16223 32154 36978 19633 34217 27086 13960 64596 20876 27751 12619 25115 13981 16111 23353 8742 19034 14228 24051 116974 324161 95532 100498 105116 58064 57572 60828 64332 108529 108099 65810 76742 62244 108985 93905 414941 59812 262958 534604 288993 32194 21342 13990 41015 60262 402442 146660 253202 101535 19685 291574 72237 436405 995963 264135 742120 850185 335536 69173 132240 81560 170740 501540 399748 375784 427496 237620 305423 186966 509821 149449 434806 145127 100484 63229 122219 73480 384010 213069 359035 316595 69725 244496 23792 311598 244572 31741 20571 87129 107853 71246 226894 673518 44620 254387 37772 311239 14971 404504 28018 22593 3,6-anhydro-D-galactose 908 507 704 995 1135 910 886 702 591 709 469 789 1026 755 833 685 408 363 464 503 231 444 348 387 318 362 401 353 390 312 235 667 852 589 872 1014 1021 852 699 871 492 503 484 868 834 845 541 953 556 361 394 362 434 308 483 344 273 329 467 553 535 297 338 373 241 786 591 717 794 441 1052 561 593 1008 717 358 794 875 1017 816 469 747 844 698 460 484 472 557 532 431 327 233 368 357 375 598 400 356 621 487 285 278 281 810 349 569 447 719 259 291 319 339 271 0 287 845 688 556 998 386 761 810 792 823 1081 1026 979 319 932 614 327 579 516 345 429 853 236 308 379 769 333 394 363 413 362 872 417 382 616 683 583 624 599 669 1258 989 831 412 1239 436 613 596 1741 1355 806 845 502 751 827 692 1051 724 573 661 666 407 608 607 244 238 188 275 260 623 276 261 209 858 328 313 286 265 446 227 186 241 2-monoolein 9259 9493 7882 21159 13336 7201 7191 18893 16580 8583 6731 13076 8467 7121 7576 11458 680 3599 4439 4014 5521 5520 6062 4473 1915 4686 4051 5217 2154 2999 3628 4817 9989 7319 3589 4133 6325 12038 13058 9110 20644 8465 10121 4426 3371 6967 410484 8290 5423 5784 1784 6654 5634 4876 7907 10863 5889 3799 4615 7274 5233 7588 3922 4748 2609 15092 4037 8119 7021 2763 2000 15267 23042 2990 24834 105594 2022 8039 2677 23019 6251 16877 4486 5365 4343 1494 4053 2171 4079 4074 6394 7625 6414 9779 6126 2480 3499 3044 4251 2645 1609 839 1106 1418 1090 714 1124 690 766 694 657 606 1067 645 904 738 517 748 1015 2064 1160 897 826 1447 1033 995 1205 549 505 779 762 760 915 724 852 1292 830 1188 884 694 1121 1976 464 1153 312 584 939 972 820 611 920 886 860 1157 1016 1201 1064 733 609 973 534 330 726 417 777 827 537 974 765 948 876 1396 904 686 736 505 618 731 552 932 778 482 670 667 889 684 1006 814 448 705 781 1163 559 1208 830 713 2-ketoisocaproic acid 532 501 266 211 349 282 455 280 265 216 343 616 321 211 355 247 280 543 374 484 670 564 135 640 502 902 571 337 495 315 501 196 827 263 330 742 245 260 256 252 237 170 258 197 204 1072 156 174 260 692 238 430 576 1194 741 448 977 754 335 1076 296 334 697 587 864 287 737 217 266 361 629 395 126 399 405 420 386 252 567 603 192 304 503 174 435 652 298 652 272 264 885 1194 225 782 302 286 440 277 219 347 8093 5200 2237 2030 5641 2184 4340 6093 1408 4838 5277 4986 4516 5632 4722 1185 3893 5099 1285 2064 3385 3743 1767 919 4411 2593 2191 2672 2301 1418 6452 5931 3722 1432 505 4587 2585 1234 7106 1765 5071 4547 2923 6987 692 5002 1802 4306 4551 8507 10166 2083 12171 1259 2353 895 2744 2030 9124 213 9122 6098 5320 6972 2360 5558 4666 5289 1799 4108 1612 2592 5837 9224 5056 3631 4017 5541 6006 2396 1640 6900 2126 2769 1135 2063 1945 7543 2052 1302 5736 975 3095 458 1202 3507 2-ketobutyric acid 4554 2616 4408 5358 7073 5006 4151 4300 3374 3732 3445 4133 3146 3423 4282 4249 3616 3768 5785 1824 2223 3285 3238 2861 1984 4811 2431 2737 4365 5548 3495 7359 4967 8135 6779 4267 7499 4848 2970 4819 4056 4290 3377 4703 4205 5054 1244 7686 3417 4209 1989 2070 4601 3057 2658 2940 2451 2528 3159 2835 5257 4459 3369 2787 3996 5200 3702 4812 5401 6362 6123 3908 2276 4739 2592 1688 4434 4221 7159 2429 6062 5288 1984 4541 5298 3910 3976 1717 7172 3210 2405 3197 2074 2797 3857 4127 3430 4443 6097 3255 1079 1195 1457 1146 2046 898 1374 845 1361 982 1463 1052 1127 212 1946 1885 1433 1843 1849 1937 1381 1267 1515 1864 1470 1900 937 1185 2201 1170 1947 2486 2913 1977 1877 2158 1190 988 1048 951 1557 2954 1493 2991 2202 1384 2049 1593 1955 1560 2114 1620 2080 1412 1494 1285 2510 1723 1688 1353 900 1078 1167 1469 3386 3134 1824 3338 1422 1030 1201 1579 2748 1765 2484 1302 2451 1879 1993 1766 1875 1977 1932 1574 1816 2452 1605 1310 1869 1221 1877 2096 1818 1016 2072 2237 2-hydroxyvaleric acid 454 398 688 487 511 695 534 561 523 463 465 551 443 377 402 389 1126 979 1558 2971 2810 993 1093 1833 1012 4904 846 1601 1350 1442 3411 556 329 489 872 522 497 589 515 454 504 430 600 420 342 591 620 600 535 1584 771 1487 1353 2348 2015 1424 1602 1426 1574 1278 908 1177 3014 1668 19427 714 518 388 493 706 309 493 357 517 726 348 566 587 671 548 631 465 568 439 1333 1027 1138 1160 832 1741 1473 1156 1773 1929 1368 1164 5346 1355 1514 1203 2449 1896 3410 1446 2092 1185 1653 1053 1714 1937 1663 1100 1185 982 1153 2291 2013 1909 2400 4156 1789 2004 1923 2746 1517 3504 4581 3478 1422 1491 1564 816 1174 2709 1161 880 1601 904 1364 1031 837 1142 746 887 1093 960 693 1005 1847 1080 3737 2868 2145 2273 1563 1938 1747 1860 1751 1967 1344 1385 1587 1034 2591 1406 1659 1332 2866 2119 2333 2269 1132 1501 1049 3119 857 1490 1125 2098 2941 1090 1313 1530 1968 2743 2399 1791 1676 1657 1327 2404 1009 2369 1649 1366 2-hydroxyhexanoic acid 79 113 95 121 96 133 72 115 69 120 2477 61 43 65 73 63 380 742 752 2060 1987 603 423 917 810 1739 1027 947 1002 909 2053 131 115 167 66 125 180 141 67 119 71 114 136 129 135 132 186 112 117 602 921 750 829 2135 1137 426 1068 1282 569 1109 1103 411 1033 622 1132 152 176 108 71 169 149 106 56 108 132 84 96 74 194 85 94 94 104 75 979 610 701 839 715 1107 1818 845 928 1840 837 576 1094 733 895 593 485 425 594 634 803 291 483 388 458 459 626 382 374 0 383 562 567 792 612 876 602 733 567 842 571 749 649 995 273 635 521 372 693 799 581 500 537 478 522 304 608 716 494 553 343 438 359 502 683 650 1032 492 777 517 810 693 489 654 578 556 399 522 386 704 601 797 720 663 817 594 470 408 778 568 520 588 377 531 793 578 684 560 670 506 682 987 667 624 726 537 640 608 724 604 693 846 2-hydroxyglutaric acid 1151 950 1257 853 2132 1683 1122 1289 1072 1088 1031 1469 1102 1044 1280 1021 1686 2198 2133 1850 784 681 1783 528 2039 1486 1374 1792 826 1803 2236 737 1121 737 712 446 1140 1339 779 671 771 762 1340 550 590 2164 420 1088 772 187 1066 1305 1612 806 1215 340 1867 1823 1430 1234 1219 1786 327 1020 2027 514 670 354 520 880 1122 1054 583 1106 723 450 348 613 1050 621 1143 545 224 758 632 2337 1522 1193 1427 1766 1576 1883 1778 930 702 1278 1218 1154 910 560 1130 1530 1178 731 1857 1140 1090 1114 1382 1165 1685 1173 1236 0 1599 1834 2157 3215 1655 2196 2000 2096 2716 3126 1713 2422 692 2064 2007 730 1348 1203 1922 1788 1414 476 1248 1205 949 1244 1248 1083 1340 1040 315 574 860 902 2396 1778 3029 2154 2961 3042 2746 2140 1372 1846 2086 2345 1126 1755 1761 1209 1282 1582 1480 1766 2552 2749 2351 1796 2091 1909 1292 1847 1546 1754 1075 1503 1802 830 627 1611 2670 1251 2259 1037 1058 1517 27 1687 882 2101 968 923 2-hydroxybutanoic acid 9886 3165 8169 7384 10891 7924 1167 6878 8125 5775 8121 9093 12920 10315 14204 6537 8675 18855 20997 4466 3963 9072 8134 6836 6088 20889 7443 12934 13055 14548 9456 6519 4959 5561 7130 6433 5820 7496 4241 6225 6384 6105 3790 5596 11792 13714 4957 5757 4353 10106 29776 9213 12070 12537 8488 4541 5060 7274 13145 16494 8922 19727 18039 7119 14071 10128 9320 9300 8022 12962 15120 5826 5392 13654 8294 5135 16761 8313 13618 6033 10308 9622 8072 2898 5702 7215 5754 7828 4143 6876 4313 7606 6888 4428 3801 7279 3797 4082 5761 4213 13639 15209 34191 16384 19890 6976 15256 11323 9187 10353 17266 17949 18430 8083 16183 36507 26119 36573 18926 21166 22642 14155 13461 19817 40488 16843 28794 20285 37910 35399 28206 10425 30644 26471 27235 14871 11928 6919 11069 32478 44063 16604 24999 12363 25144 17784 8471 29900 96155 113847 83397 82337 55585 14728 19492 13186 48726 89990 56790 56631 63621 57370 59274 96690 53607 26813 50626 16636 15087 13283 16374 14388 18658 47308 12486 46074 18013 9884 17194 54655 50695 17705 17405 14309 45052 34389 77332 40271 38968 49461 15103 37918 16255 48803 13012 21545 2-deoxytetronic acid 258 90 189 170 180 170 176 192 112 186 165 165 126 138 108 146 276 316 249 214 171 239 175 241 221 217 217 186 196 160 347 208 176 229 235 163 210 215 134 183 120 192 278 204 175 253 237 154 155 279 180 215 289 274 187 276 195 259 263 197 202 247 311 213 279 193 140 179 141 172 208 145 120 242 205 124 214 293 265 134 249 120 154 218 343 234 188 289 169 303 220 165 197 243 195 292 251 261 305 246 770 568 1184 651 307 475 518 558 767 902 246 486 589 0 869 1719 180 788 1532 1591 846 1192 1051 875 727 1399 1200 2262 807 640 1204 682 1139 2164 875 621 686 713 638 780 1654 1082 1297 781 632 573 433 1534 2370 1063 3092 2621 1555 842 1716 1030 1755 2459 1318 437 1028 242 1455 870 1809 886 1984 1002 1460 913 1204 825 1075 1733 911 1673 807 1835 620 913 1226 593 110 764 698 1213 1176 1408 688 822 714 1401 536 1087 538 326 2-aminobutyric acid 2143 4499 2150 2115 2400 1561 1195 2038 2069 2877 1895 2183 6003 7220 9235 3087 2119 4692 4232 1376 1253 2803 1655 1739 1780 5074 1795 2095 3031 4190 3450 4380 3544 2849 4072 9037 2427 2151 1797 2237 7466 17906 2852 4980 6961 16834 2663 2877 2420 4103 12869 4523 5267 6212 2998 1352 1431 2490 6793 8112 3592 12028 10354 4113 11537 6295 7632 3655 7687 2809 2201 5159 4179 4409 12982 3333 14752 10286 3568 6528 2827 3591 6636 4080 5869 5912 5076 4851 2174 2215 1248 1755 1266 1433 1866 4579 2302 8099 3503 2366 17303 10522 21396 10677 7800 11755 19584 12067 11900 11632 10864 11966 11074 11915 10980 4799 16098 17363 4124 15979 13557 15186 6900 5904 18092 4919 13089 9170 33864 11527 34492 13396 19994 23396 35636 12734 14546 11488 24984 3777 48236 3639 35938 13138 16797 21729 12638 28185 45538 81348 29055 49808 22130 17829 6869 5255 38430 43701 45605 30550 63921 34422 41229 84244 32116 22376 42697 3922 14807 15610 7162 14520 15764 52492 14054 52273 13458 19704 21160 44717 59030 23661 27906 13643 42192 18922 60209 29140 15885 35183 26007 23253 22130 25601 18999 28073 2,3-dihydroxybutanoic acid NIST 58 70 110 52 134 98 61 78 53 77 44 83 71 73 89 30 107 183 124 99 142 146 95 105 51 140 126 226 170 126 164 126 53 71 154 47 99 123 38 43 90 103 110 48 72 92 91 98 96 142 135 169 162 235 96 122 169 82 165 223 173 217 317 167 178 124 95 83 82 111 72 66 39 66 70 83 168 130 156 105 144 61 93 65 193 144 121 106 143 178 165 137 115 160 144 79 201 143 192 106 786 508 420 564 640 323 480 365 397 383 457 345 286 0 438 1129 768 930 1372 1251 607 1019 998 1090 644 1146 1007 2073 924 851 1146 693 1083 1933 791 489 389 393 318 460 1394 652 962 560 457 1264 494 993 3895 2331 5250 4154 4303 1180 804 1099 1813 3565 2601 2771 1970 2382 1724 1939 1812 2005 876 440 1462 898 928 586 2534 1144 897 2244 722 1112 1273 1728 2014 1705 1556 536 605 305 807 1864 1998 1528 1911 1440 1678 1028 1304 1142 1-monostearin 1596 1181 2893 1592 3162 2773 2608 2275 2368 2231 807 3343 1073 1681 324 2843 1183 612 181 463 263 532 161 243 945 767 639 1307 917 704 558 3699 1540 2020 517 1704 2062 2410 2585 1374 1344 2879 2654 2665 1669 1162 1625 2385 2506 493 714 588 537 885 322 507 827 878 561 828 1582 1058 1055 655 629 1609 2584 3692 3220 1701 3019 2996 2758 2538 2888 3785 1316 3046 4192 2192 1768 3706 1225 1079 892 736 705 717 935 997 1163 445 497 560 755 827 730 829 522 505 444 702 561 440 823 288 305 181 523 565 394 296 214 0 551 599 411 1504 586 2115 577 385 236 794 444 595 581 397 253 441 263 255 525 754 533 246 378 392 201 273 334 182 319 343 265 247 275 347 465 310 483 120 299 122 421 539 329 369 400 427 204 169 507 319 704 501 370 371 456 325 431 499 322 433 261 397 293 465 176 789 265 273 295 365 449 658 402 238 419 235 313 1109 211 917 335 355 1-monopalmitin 2862 2464 3308 3769 3715 3932 4267 5224 5466 2570 1083 2506 2547 3107 1835 5547 1559 454 1620 1222 1376 997 1131 1171 1544 121 764 2797 1126 1054 451 5097 736 3007 1668 1856 2167 2675 6557 1798 2052 3153 2372 2744 1667 1604 5407 2345 1503 1439 1176 692 1418 1086 899 1552 1859 466 429 678 1279 1284 264 853 834 3650 1984 5690 4752 2853 3074 5081 3607 3083 5083 8164 2348 4417 5017 4023 2649 5611 1082 1708 1068 1134 1174 1953 1287 1335 1836 1265 612 1152 863 469 606 1046 1318 1217 937 1004 1028 554 1133 355 704 287 1112 691 626 640 566 664 1154 1013 586 1967 1222 1833 848 510 749 1187 213 993 845 308 376 286 573 341 776 1111 842 335 553 657 503 261 749 495 446 396 261 348 318 774 875 608 1415 1304 902 1264 685 200 629 558 791 623 190 200 268 607 874 901 702 335 565 729 946 953 363 931 413 553 713 744 433 1183 1124 670 643 704 1141 853 923 475 626 334 666 3380 480 972 561 560 1-monoolein 2789 18203 63439 9364 1607 17169 40338 8630 4651 3698 2979 5835 3686 2339 3813 2958 13335 10684 13801 5952 8360 9535 14436 7227 13948 10614 8150 9584 8237 9285 6875 29268 2248 2775 5231 3605 1000 5761 1201 2407 5001 4112 6761 3513 4929 1686 45501 5273 49380 8247 7588 15585 9777 6590 16616 1889 9363 13780 10005 25691 26625 7619 10099 7853 9978 6474 20626 6377 34570 652 26661 5269 5812 7000 9389 19062 11045 7298 38812 5594 7375 8777 18975 15490 17818 9553 17517 12709 12500 10633 10251 11783 6709 9517 12235 16676 11683 16268 19845 19528 621 4573 4649 420 6088 3658 5333 3356 6720 4980 611 4180 4633 6498 1707 3688 3057 2334 3489 5885 2699 5654 2990 5314 5340 4838 6404 1334 1216 3550 3516 3674 3686 2972 2625 3495 3859 2043 3181 2607 6556 15223 4651 4574 1504 2313 1874 4408 4161 2392 4011 3049 1029 5937 4355 6908 3180 1732 4595 2699 1651 1675 3836 1113 2374 2987 1492 4794 3630 4397 3184 3995 4370 3683 3419 2606 1311 1990 2892 5817 3213 2963 4624 4000 7026 4138 6439 2880 1993 2541 4266 6343 2072 6016 3945 2468 1,5-anhydroglucitol 8427 5262 4760 5956 7301 6485 5457 4022 5093 6127 4225 5331 4678 4797 5564 4427 3587 2442 3205 2896 2568 3031 2566 2802 3123 2404 2648 1904 3575 2900 2550 4301 332 6729 7872 4781 4782 3412 4083 7134 5053 4364 5592 5368 5651 4309 4955 4855 4200 2846 2148 2861 302 2871 2818 2692 2920 3210 3820 2829 3338 2906 2903 2819 1400 6181 4214 4416 4960 6064 5791 4601 3296 6236 5366 3828 5432 4996 2726 4549 380 5111 4054 4165 2456 2774 3336 3364 2137 3096 2990 3433 2811 3024 2226 2935 2577 2739 3566 3514 86232 101568 127303 108949 120249 76604 65491 61990 95025 65702 108951 76531 90827 112036 89626 76213 28234 37276 46211 32366 34975 40414 39817 58486 31340 43088 19194 41184 41941 28314 87148 77619 130649 175619 93267 75097 81311 75986 99823 80497 91988 109355 98907 93577 56503 88067 74949 98766 49875 30082 60216 49870 43892 44503 43475 38315 48360 52537 30404 48209 5708 24066 33414 24993 44151 66363 57164 53500 52511 46959 39773 45655 38687 41340 33735 38878 39519 53575 66704 106807 111624 89219 100625 85941 105324 111033 120383 86003 97277 85265 98364 100272 85214 127126 75486 92384 2,5-dihydroxypyrazine NIST 32427 26799 16088 33411 31635 33581 34342 27922 27651 45352 25629 28311 27234 37578 21106 27124 18991 24824 30078 19932 19359 20232 20946 25259 22999 31132 31887 22767 18908 24545 23809 45855 35040 28394 51939 35604 33632 35179 21479 28016 24738 38135 26370 39335 44350 23435 17046 37497 29441 23731 16669 18646 32410 27835 24069 19919 26155 17833 18908 22439 26665 34591 24039 18853 19455 26003 22091 25490 28038 36538 35010 26700 17111 29155 17934 13277 23452 26376 33458 23984 33019 21806 20615 27533 24284 20424 26297 21640 24909 23445 19155 29029 20288 22105 31164 38494 19711 15959 35144 23969 2059 1366 2229 4183 4261 6806 2307 3014 2820 3483 3849 1884 2450 290 4577 1448 1124 1135 1488 2375 1497 937 1060 1344 788 1255 1331 3678 2398 951 3264 3726 2385 2602 4315 4243 2748 2557 3318 7087 4299 3029 5544 3639 2900 7782 7387 5098 566 866 944 1404 923 1582 2467 955 1464 3455 468 4302 3043 2987 1020 539 877 1365 1154 1338 1510 1515 1981 3738 2839 3400 1905 3271 3515 250 2525 2767 3226 2347 2834 4955 3759 2912 3765 5105 2440 6754 2415 4023 2929 3869 2895 1956 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG PubChem ret.index quant mz xylose C00181 135191 544100 103 xylonolactone NIST C02266 439692 535176 217 xylonic acid isomer C02341 10264 590775 189 xylitol C00379 6912 567437 217 xanthosine C01762 64959 926133 325 xanthine C00385 1188 701688 353 valine C00183 6287 313502 144 urocanic acid C00785 736715 699866 267 uridine C00299 6029 861508 217 uric acid C00366 1175 731038 441 urea C00086 1176 329351 189 uracil C00106 1174 385816 241 UDP-N-acetylglucosamine C00043 445675 623789 226 UDP-glucuronic acid C00167 17473 585473 217 tyrosine C00082 6057 671252 218 tryptophan C00078 6305 780482 202 trans-4-hydroxy-L-proline C01157 5810 457910 158 tocopherol alpha- C00376 638015 1066526 237 thymine C00178 1135 420133 255 threonine C00188 6288 408777 218 threonic acid C01620 5460407 497572 292 taurine C00245 1123 556690 326 tartaric acid C00898 444305 534291 292 tagatose C00795 439312 636627 307 sucrose C00089 5988 912704 271 succinic acid C00042 1110 370608 247 stearic acid C01530 5281 787622 117 squalene C00751 638072 976237 95 sorbitol C00794 5780 667922 217 serine C00065 5951 395020 218 saccharic acid C00818 33037 699211 333 ribose-5-phosphate C00117 439167 731837 315 ribose C00121 5779 553135 217 ribonic acid C01685 5460677 597646 292 ribitol C00474 827 575497 217 raffinose C00492 439242 1120886 361 quinolinic acid C03722 1066 595597 296 pyruvic acid C00022 1060 211668 174 pyrophosphate C00013 1023 327517 110 putrescine C00138 1045 588119 174 p-tolyl glucuronide 154035 847531 180 pseudo uridine C02067 15047 813899 217 proline C00148 145742 364523 142 pipecolinic acid 6931662 404121 156 phosphoethanolamine C00346 1015 603912 299 phosphoenolpyruvate C00074 58114173 518184 211 phosphate C00009 1004 345365 314 phenylalanine C00079 6140 537804 218 pelargonic acid C01601 8158 399229 117 parabanic acid NIST C00802 67126 464991 100 pantothenic acid C12276 6613 690887 291 palmitoleic acid C08362 445638 706508 311 palmitic acid C00249 985 715434 313 palatinitol 88735 996670 204 oxoproline C01879 7405 485935 156 oxalic acid C00209 971 260513 190 ornithine 3TMS C00077 6262 527113 142 oleic acid C00712 445639 781527 339 oleamide NIST C19670 5283387 849710 144 octadecanol 8221 755409 327 nicotinamide C00153 936 471602 179 N-acetylmannosamine C00645 439281 735323 319 N-acetylglycine NIST 10972 356109 174 N-acetylglutamate C00624 70914 604748 216 N-acetyl-D-tryptophan C03137 439917 859454 202 n-acetyl-d-hexosamine C03878 24139 746341 319 N-acetylaspartic acid C01042 65065 548028 158 myristic acid C06424 11005 634414 285 myo-inositol C00137 892 730022 305 methionine sulfoxide C02989 158980 637588 128 methionine C00073 6137 483560 176 methanolphosphate 13130 289520 241 mannose C00159 18950 645856 205 maltotriose C01835 439586 1176044 361 maltose 1 C00208 439186 946601 204 malonic acid C00383 867 305372 233 malic acid C00711 525 463180 233 maleimide C07272 10935 245118 154 lyxitol C00532 439255 573587 217 lysine C00047 5962 663483 156 linolenic acid C06427 5280934 780376 108 linoleic acid C01595 5280450 777414 150 levoglucosan 2724705 569637 204 leucine C00123 6106 345845 158 lauric acid C02679 3893 547840 117 lactitol C13542 157355 959541 361 lactic acid C01432 612 219848 191 itaconic acid C00490 811 386511 147 isothreonic acid C00639 151152 489385 292 isomaltose C00252 439193 983199 160 isoleucine C00407 6306 359251 158 isohexonic acid 604 698302 333 isocitric acid C00451 5318532 616323 245 inositol-4-monophosphate C03546 440043 846510 315 inosine 5'-monophosphate C00130 8582 1016811 169 inosine C00294 6021 897184 230 indoxyl sulfate 10258 577333 277 indole-3-lactate C02043 92904 764586 202 indole-3-acetate C00954 802 684929 202 hypoxanthine C00262 790 619107 265 hydroxylamine C00192 787 253158 146 hydroxycarbamate NIST 16639161 325948 278 hydroquinone C00530 785 422583 239 homoserine C00263 12647 443878 218 histidine C00135 6274 663739 154 hexuronic acid 673957 333 hexose-6-phosphate C02965 208 806282 387 hexitol C00392 453 704741 217 heptadecanoic acid 10465 751309 117 guanosine C00387 6802 954962 324 guanine C00242 764 744307 352 glycyl proline 3013625 691357 174 glycolic acid C00160 757 227636 177 glycine C00037 750 368707 248 glycerol-alpha-phosphate C03189 754 590747 357 glycerol-3-galactoside C05401 16048618 800205 204 glycerol C00116 753 344428 205 glyceric acid C00258 439194 377495 189 glutathione C00051 124886 761296 213 glutaric acid C00489 743 421260 261 glutamine C00064 5961 600315 156 glutamic acid C00025 33032 529100 246 glucose-6-phosphate C00092 5958 818275 387 glucose-1-phosphate C00103 65533 597071 217 glucose 678811 217 gluconic acid C00800 6857417 693148 333 galacturonic acid C08348 441476 678231 333 galactose-6-phosphate C01113 439404 828102 387 galactonic acid C00880 128869 690882 292 fumaric acid C00122 444972 390016 245 fucose C02095 439650 584895 117 fructose-6-phosphate C05345 440641 804279 315 fructose C02336 439709 641863 307 ethanolamine C00189 700 344719 174 ethanol phosphate NIST 74190 317291 211 dihydrocholesterol C12978 66066 1082070 215 dehydroascorbic acid C05422 440667 633423 173 cytidine-5-monophosphate C00055 6131 700635 243 cystine C01420 595 804619 218 cysteine C00097 5862 500158 220 creatinine C00791 588 502599 115 conduritol-beta-expoxide 9989541 701723 318 citrulline C00327 9750 621404 157 citric acid C00158 311 617342 273 cis-gondoic acid C16526 5282768 847372 367 cholesterone C00599 91477 1095940 456 cholesterol C00187 5997 1078536 129 cellobiose C01971 6255 932179 204 capric acid C01571 2969 451790 229 butylamine C18706 8007 249493 174 beta-sitosterol C01753 222284 1128225 129 beta-glycerolphosphate C02979 2526 574470 243 beta-alanine C00099 239 435564 248 benzoic acid C00180 243 339067 179 behenic acid C08281 8215 920648 117 aspartic acid C00049 5960 480387 232 asparagine C00152 6267 553078 188 ascorbic acid C00072 54670067 672898 332 arachidonic acid C00219 444899 834339 91 arachidic acid C06425 10467 856421 117 arabitol C01904 94154 570685 217 arabinose C00216 6902 550621 217 aminomalonate C00872 100714 455754 218 alpha-ketoglutarate C00026 51 507392 198 alpha-aminoadipic acid C00956 92136 573295 260 allantoic acid C00499 203 726050 259 alanine C00041 5950 244189 116 adipic acid C06104 196 474435 111 adenosine-5-monophosphate C00020 6083 1038688 169 adenosine C00212 60961 918039 236 aconitic acid C00417 643757 586815 229 9-myristoleate 630100 117 6-deoxyglucose C08352 441480 573663 117 5-methoxytryptamine C05659 1833 864466 174 5'-deoxy-5'-methylthioadenosine C00170 439176 967036 236 4-hydroxyphenylacetic acid C00642 127 542795 179 3-phosphoglycerate C00597 724 610734 227 3-hydroxybutyric acid C01089 92135 278632 191 3,6-anhydro-D-galactose C06474 16069996 588886 231 2-monoolein 5319879 941794 129 2-ketoisocaproic acid C00233 70 310761 89 2-ketobutyric acid C00109 58 225358 89 2-hydroxyvaleric acid 98009 309587 131 2-hydroxyhexanoic acid 99824 323093 159 2-hydroxyglutaric acid C02630 43 506306 247 2-hydroxybutanoic acid C05984 440864 258161 131 2-deoxytetronic acid 150929 433456 189 2-aminobutyric acid C02721 6657 288133 130 2,3-dihydroxybutanoic acid NIST 250402 384796 292 1-monostearin D01947 24699 959214 203 1-monopalmitin C01885 14900 901749 129 1-monoolein 5283468 952623 129 1,5-anhydroglucitol C07326 64960 633603 217 2,5-dihydroxypyrazine NIST 23368901 397526 241 METABOLITES_END #END