#METABOLOMICS WORKBENCH FFB_20151026_9298071_mwtab.txt DATATRACK_ID:398 STUDY_ID:ST000258 ANALYSIS_ID:AN000410 VERSION 1 CREATED_ON 01-03-2020 #PROJECT PR:PROJECT_TITLE Effects of synthetic large-scale genome reduction on metabolism and metabolic PR:PROJECT_TITLE preferences in a nutritionally complex environment PR:PROJECT_SUMMARY The soil bacterium Sinorhizobium meliloti forms nodules on the roots of PR:PROJECT_SUMMARY leguminous plants, where N2 is reduced to ammonia. Its genome includes a 3.65 PR:PROJECT_SUMMARY Mb chromosome, a 1.35 Mb pSymA megaplasmid, and a 1.68 Mb pSymB chromid. PR:PROJECT_SUMMARY pSymA and pSymB constitute ~45% of the genome and here a non-targeted approach PR:PROJECT_SUMMARY was used to identify the metabolic consequences of the removal of these PR:PROJECT_SUMMARY replicons. Polar and non-polar metabolites from wild-type, ∆pSymA, ∆pSymB, PR:PROJECT_SUMMARY and ∆pSymAB cells and supernatants across a growth curve were analyzed by PR:PROJECT_SUMMARY LC-HILIC-TOF-MS. 2008 metabolite features were identified in the extracellular PR:PROJECT_SUMMARY metabolome of cells grown in LBmc containing yeast extract and casein PR:PROJECT_SUMMARY hydrolysate. 1474 features were found from the intracellular metabolites of PR:PROJECT_SUMMARY cells grown in minimal M9-sucrose medium. Analysis revealed both time and PR:PROJECT_SUMMARY genotype influenced the metabolome, with the removal of pSymB having a much PR:PROJECT_SUMMARY greater effect than the loss of pSymA. Strains lacking pSymB showed an increase PR:PROJECT_SUMMARY in sugar, amino acid, and nucleotide metabolites in the intracellular PR:PROJECT_SUMMARY metabolome, and the loss of pSymB clearly impaired the cell’s ability to PR:PROJECT_SUMMARY catabolize exogenous amino acids. We conclude that despite the ability of PR:PROJECT_SUMMARY wild-type, ∆pSymA, ∆pSymB, and ∆pSymAB strains to grow in both M9-sucrose PR:PROJECT_SUMMARY and LBmc media, the removal of pSymA, and particularly pSymB, had clear and PR:PROJECT_SUMMARY dramatic effects on the S. meliloti metabolome. The larger effect associated PR:PROJECT_SUMMARY with the pSymB chromid is consistent with the large number of metabolic genes on PR:PROJECT_SUMMARY this replicon and the greater genetic and metabolic integration of this replicon PR:PROJECT_SUMMARY with the S. meliloti chromosome. PR:INSTITUTE McMaster University PR:DEPARTMENT Department of Biology PR:LAST_NAME Finan PR:FIRST_NAME Turlough PR:ADDRESS Department of Biology, McMaster University, Hamilton, Canada L8S4K1 PR:EMAIL finan@mcmaster.ca PR:PHONE (+1)905-525-9140 ext 22932 PR:DOI http://dx.doi.org/10.21228/M87W2S #STUDY ST:STUDY_TITLE Metabolic contribution of pSymA and pSymB megaplasmid/chromid for multipartite ST:STUDY_TITLE Sinorhizobium meliloti cultured in minimal M9 medium ST:STUDY_TYPE megaplasmid deletion ST:STUDY_SUMMARY To understand the contribution of pSymA and pSymB to the metabolism of S. ST:STUDY_SUMMARY meliloti, the intracellular metabolome was analyzed at five time points ST:STUDY_SUMMARY (exponential and stationary growth phases) across the growth curve of strains ST:STUDY_SUMMARY with or without pSymA and/or pSymB grown in a defined, minimal medium (M9). ST:INSTITUTE McMaster University ST:DEPARTMENT Department of Biology ST:LAST_NAME Finan ST:FIRST_NAME Turlough ST:ADDRESS Department of Biology, McMaster University, Hamilton, Canada L8S4K1 ST:EMAIL finan@mcmaster.ca ST:PHONE (+1)905-525-9140 ext 22932 ST:SUBMIT_DATE 2015-09-17 ST:NUM_GROUPS 20 ST:TOTAL_SUBJECTS 115 #SUBJECT SU:SUBJECT_TYPE Bacterial cells SU:SUBJECT_SPECIES Sinorhizobium meliloti SU:TAXONOMY_ID 382 SU:GENOTYPE_STRAIN Rm2011 (SU47 str-3)|SmA818|RmP3009|RmP2917 SU:HUMAN_ETHNICITY wild type|Rm2011 lack pSymA|Rm2011 lack pSymB|Rm2011 lack pSymA and pSymB | a SU:HUMAN_ETHNICITY tRNAarg and the smb20996-engA operon from pSymB were integrated to chromosome in SU:HUMAN_ETHNICITY strains RmP3009 and RmP2917 SU:SPECIES_GROUP Microorganism #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS M1A A_M1a strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M1A A_M1b strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M1A A_M1c strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M1A A_M1d strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M1A A_M1e strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M1A A_M1f strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M2A A_M2a strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M2A A_M2b strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M2A A_M2c strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M2A A_M2d strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M2A A_M2e strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M2A A_M2f strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M3A A_M3a strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M3A A_M3b strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M3A A_M3c strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M3A A_M3d strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M3A A_M3e strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M3A A_M3f strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M4A A_M4a strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M4A A_M4b strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M4A A_M4c strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M4A A_M4d strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M4A A_M4e strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M4A A_M4f strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M5A A_M5a strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M5A A_M5b strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M5A A_M5c strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M5A A_M5d strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M5A A_M5e strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M5A A_M5f strains:ΔpSymA SUBJECT_SAMPLE_FACTORS M1AB AB_M1a strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M1AB AB_M1b strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M1AB AB_M1c strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M1AB AB_M1d strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M1AB AB_M1e strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M2AB AB_M2a strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M2AB AB_M2b strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M2AB AB_M2c strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M2AB AB_M2d strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M2AB AB_M2e strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M2AB AB_M2f strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M3AB AB_M3a strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M3AB AB_M3b strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M3AB AB_M3c strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M3AB AB_M3d strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M3AB AB_M3e strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M4AB AB_M4a strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M4AB AB_M4b strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M4AB AB_M4c strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M4AB AB_M4d strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M4AB AB_M4e strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M5AB AB_M5a strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M5AB AB_M5b strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M5AB AB_M5c strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M5AB AB_M5d strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M5AB AB_M5e strains:ΔpSymAB SUBJECT_SAMPLE_FACTORS M1B B_M1a strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M1B B_M1b strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M1B B_M1c strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M1B B_M1d strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M1B B_M1e strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M1B B_M1f strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M2B B_M2a strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M2B B_M2b strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M2B B_M2c strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M2B B_M2d strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M2B B_M2e strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M2B B_M2f strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M3B B_M3a strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M3B B_M3b strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M3B B_M3c strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M3B B_M3d strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M3B B_M3e strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M3B B_M3f strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M4B B_M4a strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M4B B_M4b strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M4B B_M4c strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M4B B_M4d strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M4B B_M4e strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M4B B_M4f strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M5B B_M5a strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M5B B_M5b strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M5B B_M5c strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M5B B_M5d strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M5B B_M5e strains:ΔpSymB SUBJECT_SAMPLE_FACTORS M1WT WT_M1a strains:wild type SUBJECT_SAMPLE_FACTORS M1WT WT_M1b strains:wild type SUBJECT_SAMPLE_FACTORS M1WT WT_M1c strains:wild type SUBJECT_SAMPLE_FACTORS M1WT WT_M1d strains:wild type SUBJECT_SAMPLE_FACTORS M1WT WT_M1e strains:wild type SUBJECT_SAMPLE_FACTORS M1WT WT_M1f strains:wild type SUBJECT_SAMPLE_FACTORS M2WT WT_M2a strains:wild type SUBJECT_SAMPLE_FACTORS M2WT WT_M2b strains:wild type SUBJECT_SAMPLE_FACTORS M2WT WT_M2c strains:wild type SUBJECT_SAMPLE_FACTORS M2WT WT_M2d strains:wild type SUBJECT_SAMPLE_FACTORS M2WT WT_M2e strains:wild type SUBJECT_SAMPLE_FACTORS M2WT WT_M2f strains:wild type SUBJECT_SAMPLE_FACTORS M3WT WT_M3a strains:wild type SUBJECT_SAMPLE_FACTORS M3WT WT_M3b strains:wild type SUBJECT_SAMPLE_FACTORS M3WT WT_M3c strains:wild type SUBJECT_SAMPLE_FACTORS M3WT WT_M3d strains:wild type SUBJECT_SAMPLE_FACTORS M3WT WT_M3e strains:wild type SUBJECT_SAMPLE_FACTORS M3WT WT_M3f strains:wild type SUBJECT_SAMPLE_FACTORS M4WT WT_M4a strains:wild type SUBJECT_SAMPLE_FACTORS M4WT WT_M4b strains:wild type SUBJECT_SAMPLE_FACTORS M4WT WT_M4c strains:wild type SUBJECT_SAMPLE_FACTORS M4WT WT_M4d strains:wild type SUBJECT_SAMPLE_FACTORS M4WT WT_M4e strains:wild type SUBJECT_SAMPLE_FACTORS M4WT WT_M4f strains:wild type SUBJECT_SAMPLE_FACTORS M5WT WT_M5a strains:wild type SUBJECT_SAMPLE_FACTORS M5WT WT_M5b strains:wild type SUBJECT_SAMPLE_FACTORS M5WT WT_M5c strains:wild type SUBJECT_SAMPLE_FACTORS M5WT WT_M5d strains:wild type SUBJECT_SAMPLE_FACTORS M5WT WT_M5e strains:wild type SUBJECT_SAMPLE_FACTORS M5WT WT_M5f strains:wild type #COLLECTION CO:SAMPLE_TYPE cells CO:VOLUMEORAMOUNT_COLLECTED 6 x 108 cells CO:STORAGE_CONDITIONS -80ºC freezer CO:COLLECTION_VIALS eppendorf tube CO:TISSUE_CELL_IDENTIFICATION 6 x 108 cells #TREATMENT TR:ANIMAL_VET_TREATMENTS -80ºC freezer TR:ANIMAL_ANESTHESIA test tube TR:ANIMAL_ENDP_TISSUE_PROC_METHOD M9 miminal medium plus 10 mM sucrose TR:ANIMAL_ENDP_CLINICAL_SIGNS n/a TR:HUMAN_FASTING 30ºC incubator TR:HUMAN_ENDP_CLINICAL_SIGNS OD600 values of approximately 0.3, 0.5, 0.9, 1.6, and 3.5 (except for Rm2011 TR:HUMAN_ENDP_CLINICAL_SIGNS which reached ~4.8) #SAMPLEPREP SP:SAMPLEPREP_PROTOCOL_FILENAME Fei,_F.,_Bowdish,_D._M._E.,_&_McCarry,_B._E._(2014)._Analytical_and_Bioanalytical_Chemistry,_406,_3723–3733. SP:EXTRACTION_METHOD cell pellet extracted with 2:2:1 MeOH/EtOH/H2O with beadbeating SP:EXTRACT_STORAGE -80ºC freezer SP:SAMPLE_RESUSPENSION cell extracts suspended 60%v/v acetonitrile/water SP:SAMPLE_SPIKING L-methionine-d3, L-tryptophan-d5 as standards for recovery determination ; SP:SAMPLE_SPIKING L-phenylalanine-d8, diphenylalanine and glycine-phenylalanine as internal SP:SAMPLE_SPIKING standards for peak area normalization SP:CELL_TYPE Gram negative bacterium #CHROMATOGRAPHY CH:METHODS_FILENAME Opt_silicaHILIC.m CH:INSTRUMENT_NAME Agilent 1200 RR Series II CH:COLUMN_NAME Phenomenex Kinetex HILIC 100A (50 x 2.1 mm, 2.6um) CH:COLUMN_TEMPERATURE 40C CH:FLOW_GRADIENT 0-0.5 min, 95%A; 0.5-12.5 min, 35%A; 12.5-13.0 min, 35%A; 13.0-14.0 min, 95%A; CH:FLOW_GRADIENT 14.0-24.0 min, 95%A CH:FLOW_RATE 200 ?L/min CH:INTERNAL_STANDARD L-phenylalanine-d8, diphenylalanine and glycine-phenylalanine CH:SAMPLE_INJECTION 2 ?L CH:SOLVENT_A HPLC grade acetonitrile CH:SOLVENT_B 10 mM ammonium acetate in HPLC grade water adjusted to pH 3 with formic acid CH:ANALYTICAL_TIME 24 min CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_COMMENTS NEGATIVE AN:INSTRUMENT_NAME Bruker MicrOTOF II Mass Spectrometer AN:SOFTWARE_VERSION Bruker Hystar AN:OPERATOR_NAME Fan Fei AN:DETECTOR_TYPE electron multiplier detector AN:DATA_FORMAT .d AN:ANALYSIS_DISPLAY ESI/QTOF negative ion mode AN:NUM_FACTORS 4 AN:NUM_METABOLITES 56 #MS MS:INSTRUMENT_NAME Bruker MicrOTOF II MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_VOLTAGE 4500 V MS:DRY_GAS_FLOW 8.0 L/min MS:DRY_GAS_TEMP 250ºC MS:SCAN_RANGE_MOVERZ 50-1000 m/z #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak area MS_METABOLITE_DATA_START Samples A_M1a A_M1b A_M1c A_M1d A_M1e A_M1f A_M2a A_M2b A_M2c A_M2d A_M2e A_M2f A_M3a A_M3b A_M3c A_M3d A_M3e A_M3f A_M4a A_M4b A_M4c A_M4d A_M4e A_M4f A_M5a A_M5b A_M5c A_M5d A_M5e A_M5f AB_M1a AB_M1b AB_M1c AB_M1d AB_M1e AB_M2a AB_M2b AB_M2c AB_M2d AB_M2e AB_M2f AB_M3a AB_M3b AB_M3c AB_M3d AB_M3e AB_M4a AB_M4b AB_M4c AB_M4d AB_M4e AB_M5a AB_M5b AB_M5c AB_M5d AB_M5e B_M1a B_M1b B_M1c B_M1d B_M1e B_M1f B_M2a B_M2b B_M2c B_M2d B_M2e B_M2f B_M3a B_M3b B_M3c B_M3d B_M3e B_M3f B_M4a B_M4b B_M4c B_M4d B_M4e B_M4f B_M5a B_M5b B_M5c B_M5d B_M5e WT_M1a WT_M1b WT_M1c WT_M1d WT_M1e WT_M1f WT_M2a WT_M2b WT_M2c WT_M2d WT_M2e WT_M2f WT_M3a WT_M3b WT_M3c WT_M3d WT_M3e WT_M3f WT_M4a WT_M4b WT_M4c WT_M4d WT_M4e WT_M4f WT_M5a WT_M5b WT_M5c WT_M5d WT_M5e WT_M5f Factors strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymA strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymAB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:ΔpSymB strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type strains:wild type 2-phenylglycine 0.0026 0.0024 0.0029 0.0024 0.0025 0.0028 0.0033 0.0027 0.0027 0.0031 0.0029 0.0029 0.0030 0.0036 0.0027 0.0034 0.0035 0.0024 0.0033 0.0035 0.0034 0.0033 0.0032 0.0040 0.0031 0.0027 0.0025 0.0024 0.0029 0.0028 0.0026 0.0025 0.0035 0.0030 0.0029 0.0028 0.0037 0.0041 0.0028 0.0039 0.0027 0.0033 0.0030 0.0032 0.0030 0.0035 0.0032 0.0030 0.0033 0.0033 0.0034 0.0026 0.0023 0.0026 0.0025 0.0026 0.0024 0.0027 0.0030 0.0033 0.0035 0.0030 0.0031 0.0037 0.0034 0.0037 0.0035 0.0033 0.0024 0.0032 0.0034 0.0032 0.0032 0.0032 0.0029 0.0026 0.0031 0.0030 0.0026 0.0034 0.0028 0.0028 0.0027 0.0031 0.0028 0.0041 0.0024 0.0033 0.0023 0.0027 0.0031 0.0032 0.0026 0.0029 0.0032 0.0028 0.0031 0.0025 0.0030 0.0030 0.0024 0.0025 0.0025 0.0030 0.0030 0.0029 0.0038 0.0038 0.0038 0.0019 0.0018 0.0019 0.0018 0.0016 0.0017 adenine 0.0050 0.0084 0.0105 0.0082 0.0283 0.0110 0.0119 0.0075 0.0076 0.0089 0.0113 0.0093 0.0090 0.0122 0.0104 0.0073 0.0113 0.0166 0.0117 0.0113 0.0107 0.0074 0.0142 0.0125 0.0335 0.0322 0.0214 0.0453 0.0318 0.0436 0.0246 0.0429 0.0264 0.0241 0.0295 0.0124 0.0142 0.0157 0.0211 0.0221 0.0288 0.0264 0.0689 0.0417 0.0525 0.0194 0.0238 0.0323 0.0168 0.0118 0.0343 0.0436 0.0233 0.0134 0.0099 0.0195 0.0334 0.0324 0.0113 0.0150 0.0171 0.0281 0.0123 0.0218 0.0201 0.0334 0.0210 0.0171 0.0221 0.0441 0.0276 0.0564 0.0643 0.0267 0.0168 0.0319 0.0198 0.0377 0.0330 0.0185 0.0467 0.0220 0.0207 0.0153 0.0236 0.0102 0.0065 0.0051 0.0051 0.0041 0.0159 0.0101 0.0121 0.0065 0.0065 0.0064 0.0099 0.0098 0.0182 0.0091 0.0049 0.0092 0.0075 0.0124 0.0121 0.0129 0.0074 0.0088 0.0290 0.0138 0.0202 0.0144 0.0176 0.0131 0.0099 adenosine 0.0045 0.0081 0.0049 0.0059 0.0159 0.0075 0.0109 0.0069 0.0077 0.0099 0.0042 0.0097 0.0097 0.0173 0.0095 0.0041 0.0121 0.0241 0.0067 0.0154 0.0131 0.0062 0.0150 0.0132 0.0106 0.0109 0.0119 0.0314 0.0244 0.0237 0.0448 0.0784 0.0466 0.0449 0.0537 0.0157 0.0226 0.0183 0.0194 0.0214 0.0259 0.0552 0.0701 0.0540 0.0826 0.0338 0.0298 0.0415 0.0189 0.0192 0.0395 0.0562 0.0421 0.0270 0.0325 0.0326 0.0232 0.0266 0.0131 0.0224 0.0207 0.0397 0.0187 0.0299 0.0276 0.0250 0.0263 0.0303 0.0309 0.0831 0.0460 0.0784 0.0498 0.0221 0.0173 0.0247 0.0191 0.0489 0.0347 0.0291 0.0387 0.0186 0.0188 0.0118 0.0182 0.0047 0.0028 0.0036 0.0036 0.0034 0.0064 0.0072 0.0074 0.0042 0.0036 0.0047 0.0103 0.0099 0.0193 0.0075 0.0104 0.0097 0.0057 0.0135 0.0059 0.0066 0.0163 0.0068 0.0276 0.0102 0.0214 0.0088 0.0194 0.0081 0.0057 ADP 0.0099 0.0055 0.0032 0.0016 0.0037 0.0026 0.0100 0.0068 0.0079 0.0131 0.0027 0.0083 0.0046 0.0131 0.0058 0.0046 0.0067 0.0081 0.0035 0.0025 0.0139 0.0114 0.0055 0.0041 0.0040 0.0046 0.0087 0.0120 0.0166 0.0124 0.0102 0.0159 0.0156 0.0029 0.0111 0.0034 0.0041 0.0050 0.0062 0.0080 0.0073 0.0033 0.0011 0.0036 0.0080 0.0038 0.0132 0.0143 0.0041 0.0190 0.0155 0.0045 0.0027 0.0177 0.0018 0.0027 0.0040 0.0028 0.0059 0.0097 0.0063 0.0045 0.0038 0.0038 0.0035 0.0044 0.0037 0.0031 0.0036 0.0039 0.0034 0.0068 0.0018 0.0038 0.0025 0.0028 0.0038 0.0047 0.0039 0.0019 0.0027 0.0043 0.0026 0.0027 0.0023 0.0008 0.0008 0.0010 0.0024 0.0014 0.0025 0.0028 0.0017 0.0016 0.0024 0.0032 0.0056 0.0018 0.0020 0.0018 0.0023 0.0025 0.0019 0.0016 0.0029 0.0031 0.0047 0.0043 0.0031 0.0013 0.0067 0.0039 0.0098 0.0026 0.0021 ADP_ Na-2H adduct 0.0079 0.0044 0.0014 0.0005 0.0033 0.0014 0.0077 0.0048 0.0061 0.0100 0.0023 0.0062 0.0033 0.0103 0.0046 0.0037 0.0057 0.0055 0.0026 0.0013 0.0097 0.0077 0.0045 0.0025 0.0029 0.0036 0.0065 0.0082 0.0102 0.0077 0.0077 0.0121 0.0110 0.0022 0.0083 0.0018 0.0028 0.0028 0.0043 0.0050 0.0038 0.0031 0.0003 0.0029 0.0062 0.0026 0.0078 0.0084 0.0031 0.0096 0.0101 0.0028 0.0021 0.0124 0.0007 0.0015 0.0020 0.0013 0.0047 0.0085 0.0055 0.0036 0.0026 0.0025 0.0023 0.0032 0.0025 0.0018 0.0026 0.0027 0.0020 0.0046 0.0005 0.0027 0.0014 0.0014 0.0026 0.0031 0.0025 0.0011 0.0022 0.0031 0.0014 0.0019 0.0014 0.0002 0.0002 0.0003 0.0016 0.0006 0.0012 0.0012 0.0008 0.0007 0.0012 0.0030 0.0047 0.0006 0.0011 0.0010 0.0011 0.0014 0.0006 0.0011 0.0019 0.0014 0.0038 0.0034 0.0024 0.0006 0.0047 0.0025 0.0063 0.0016 0.0011 ala-glu 0.0106 0.0097 0.0106 0.0097 0.0102 0.0107 0.0137 0.0104 0.0117 0.0121 0.0103 0.0135 0.0094 0.0094 0.0075 0.0084 0.0091 0.0025 0.0142 0.0143 0.0139 0.0131 0.0151 0.0141 0.0241 0.0202 0.0208 0.0233 0.0231 0.0235 0.0037 0.0042 0.0037 0.0036 0.0038 0.0042 0.0033 0.0059 0.0033 0.0043 0.0044 0.0061 0.0073 0.0071 0.0064 0.0068 0.0079 0.0084 0.0078 0.0075 0.0081 0.0055 0.0040 0.0036 0.0038 0.0061 0.0023 0.0030 0.0025 0.0028 0.0024 0.0034 0.0024 0.0024 0.0022 0.0032 0.0028 0.0038 0.0029 0.0035 0.0036 0.0047 0.0044 0.0045 0.0054 0.0057 0.0067 0.0061 0.0059 0.0058 0.0125 0.0116 0.0115 0.0102 0.0121 0.0032 0.0028 0.0048 0.0048 0.0035 0.0050 0.0035 0.0042 0.0035 0.0039 0.0038 0.0038 0.0037 0.0038 0.0045 0.0048 0.0035 0.0039 0.0047 0.0058 0.0059 0.0056 0.0060 0.0068 0.0086 0.0098 0.0102 0.0097 0.0088 0.0052 benzoic acid 0.0265 0.0246 0.0308 0.0268 0.0425 0.0273 0.0257 0.0288 0.0285 0.0295 0.0262 0.0260 0.0367 0.0293 0.0266 0.0307 0.0373 0.0329 0.0390 0.0334 0.0326 0.0322 0.0363 0.0330 0.0264 0.0260 0.0264 0.0242 0.0254 0.0272 0.0361 0.0321 0.0498 0.0459 0.0410 0.0314 0.0442 0.0355 0.0367 0.0459 0.0331 0.0315 0.0290 0.0329 0.0458 0.0316 0.0347 0.0270 0.0399 0.0374 0.0346 0.0437 0.0221 0.0425 0.0199 0.0380 0.0255 0.0406 0.0308 0.0345 0.0288 0.0255 0.0331 0.0369 0.0341 0.0408 0.0350 0.0300 0.0448 0.0311 0.0281 0.0405 0.0309 0.0352 0.0430 0.0317 0.0319 0.0317 0.0385 0.0349 0.0297 0.0307 0.0277 0.0320 0.0273 0.0310 0.0365 0.0297 0.0364 0.0233 0.0266 0.0338 0.0374 0.0293 0.0391 0.0359 0.0370 0.0315 0.0366 0.0377 0.0299 0.0308 0.0342 0.0324 0.0389 0.0356 0.0462 0.0394 0.0310 0.0277 0.0158 0.0302 0.0185 0.0304 0.0227 cGMP 0.0112 0.0053 0.0025 0.0008 0.0039 0.0018 0.0097 0.0061 0.0091 0.0145 0.0027 0.0088 0.0035 0.0134 0.0056 0.0049 0.0073 0.0095 0.0030 0.0017 0.0142 0.0130 0.0048 0.0027 0.0026 0.0032 0.0083 0.0098 0.0135 0.0097 0.0107 0.0166 0.0158 0.0028 0.0115 0.0028 0.0036 0.0035 0.0057 0.0047 0.0052 0.0033 0.0009 0.0048 0.0090 0.0039 0.0189 0.0149 0.0037 0.0424 0.0147 0.0025 0.0013 0.0151 0.0010 0.0015 0.0026 0.0016 0.0067 0.0100 0.0073 0.0042 0.0029 0.0028 0.0026 0.0039 0.0029 0.0023 0.0024 0.0033 0.0022 0.0056 0.0004 0.0029 0.0019 0.0021 0.0023 0.0035 0.0043 0.0016 0.0015 0.0030 0.0011 0.0019 0.0015 0.0002 0.0004 0.0004 0.0021 0.0008 0.0015 0.0017 0.0012 0.0014 0.0016 0.0029 0.0063 0.0012 0.0017 0.0011 0.0018 0.0019 0.0009 0.0012 0.0023 0.0022 0.0042 0.0041 0.0028 0.0005 0.0056 0.0020 0.0072 0.0017 0.0017 deoxyinosine 0.0007 0.0007 0.0006 0.0007 0.0004 0.0007 0.0009 0.0004 0.0026 0.0006 0.0005 0.0013 0.0009 0.0010 0.0011 0.0011 0.0015 0.0011 0.0015 0.0020 0.0017 0.0014 0.0022 0.0021 0.0022 0.0024 0.0037 0.0033 0.0032 0.0040 0.0016 0.0020 0.0021 0.0025 0.0021 0.0023 0.0026 0.0024 0.0025 0.0024 0.0022 0.0016 0.0033 0.0034 0.0032 0.0028 0.0037 0.0034 0.0038 0.0036 0.0039 0.0084 0.0086 0.0081 0.0084 0.0078 0.0024 0.0020 0.0021 0.0020 0.0016 0.0026 0.0032 0.0031 0.0028 0.0024 0.0028 0.0024 0.0025 0.0072 0.0037 0.0032 0.0027 0.0028 0.0030 0.0024 0.0038 0.0035 0.0034 0.0033 0.0035 0.0036 0.0042 0.0038 0.0042 0.0005 0.0012 0.0007 0.0009 0.0007 0.0010 0.0008 0.0008 0.0008 0.0005 0.0005 0.0006 0.0006 0.0006 0.0008 0.0007 0.0007 0.0007 0.0008 0.0011 0.0010 0.0010 0.0011 0.0011 0.0016 0.0016 0.0016 0.0018 0.0015 0.0015 diamino-pimelic acid 0.0041 0.0044 0.0040 0.0040 0.0029 0.0038 0.0029 0.0028 0.0031 0.0038 0.0045 0.0035 0.0047 0.0029 0.0029 0.0036 0.0027 0.0028 0.0057 0.0049 0.0052 0.0059 0.0051 0.0104 0.0078 0.0065 0.0066 0.0071 0.0057 0.0060 0.0042 0.0041 0.0034 0.0040 0.0039 0.0045 0.0026 0.0041 0.0045 0.0032 0.0038 0.0047 0.0040 0.0032 0.0030 0.0036 0.0048 0.0039 0.0051 0.0031 0.0072 0.0064 0.0088 0.0043 0.0045 0.0044 0.0031 0.0039 0.0027 0.0028 0.0023 0.0024 0.0040 0.0050 0.0046 0.0035 0.0039 0.0027 0.0042 0.0047 0.0035 0.0039 0.0043 0.0042 0.0062 0.0060 0.0048 0.0055 0.0052 0.0058 0.0065 0.0053 0.0050 0.0092 0.0057 0.0042 0.0031 0.0031 0.0030 0.0022 0.0021 0.0031 0.0044 0.0026 0.0023 0.0026 0.0025 0.0023 0.0024 0.0020 0.0018 0.0016 0.0021 0.0034 0.0044 0.0038 0.0040 0.0037 0.0031 0.0031 0.0039 0.0040 0.0034 0.0024 0.0026 disaccharides (trehalose) 0.0241 0.0272 0.0308 0.0290 0.0280 0.0089 0.0215 0.0178 0.0216 0.0237 0.0227 0.0189 0.0294 0.0503 0.0379 0.0386 0.0335 0.0362 0.0384 0.0425 0.0356 0.0442 0.0354 0.0359 0.0127 0.0183 0.0226 0.0157 0.0187 0.0196 0.2249 0.3036 0.3067 0.2834 0.2796 0.2073 0.2196 0.0913 0.2247 0.2221 0.2481 0.1791 0.1851 0.2036 0.1246 0.2300 0.1498 0.1687 0.1865 0.1406 0.1033 0.3298 0.4502 0.5147 0.4952 0.6426 0.2654 0.2324 0.2089 0.2376 0.1766 0.4843 0.1817 0.2044 0.1888 0.2454 0.2050 0.2049 0.1725 0.1571 0.3011 0.2766 0.3204 0.3172 0.2875 0.1984 0.2885 0.3149 0.1966 0.2734 0.4553 0.3189 0.1702 0.3814 0.4371 0.0524 0.0395 0.0497 0.0604 0.0481 0.0851 0.0272 0.0220 0.0239 0.0202 0.0199 0.0307 0.0306 0.0300 0.0241 0.0302 0.0255 0.0331 0.0338 0.0328 0.0283 0.0293 0.0268 0.0286 0.0094 0.0115 0.0116 0.0123 0.0091 0.0086 fumaric acid 0.0030 0.0027 0.0038 0.0032 0.0034 0.0042 0.0039 0.0043 0.0041 0.0051 0.0049 0.0045 0.0046 0.0051 0.0047 0.0042 0.0065 0.0058 0.0041 0.0050 0.0055 0.0043 0.0061 0.0062 0.0013 0.0011 0.0018 0.0016 0.0022 0.0016 0.0042 0.0068 0.0044 0.0057 0.0053 0.0034 0.0040 0.0055 0.0041 0.0039 0.0037 0.0087 0.0063 0.0042 0.0067 0.0034 0.0044 0.0041 0.0045 0.0044 0.0047 0.0003 0.0004 0.0009 0.0004 0.0006 0.0060 0.0045 0.0053 0.0053 0.0042 0.0060 0.0056 0.0062 0.0057 0.0059 0.0059 0.0058 0.0047 0.0038 0.0040 0.0055 0.0042 0.0062 0.0018 0.0030 0.0042 0.0040 0.0044 0.0050 0.0043 0.0039 0.0040 0.0042 0.0045 0.0035 0.0030 0.0039 0.0060 0.0033 0.0081 0.0043 0.0024 0.0029 0.0040 0.0039 0.0057 0.0056 0.0039 0.0048 0.0060 0.0056 0.0045 0.0046 0.0038 0.0046 0.0049 0.0065 0.0077 0.0015 0.0012 0.0013 0.0019 0.0015 0.0012 galactosamine 0.0156 0.0261 0.0301 0.0281 0.0301 0.0233 0.0216 0.0232 0.0259 0.0297 0.0217 0.0285 0.0227 0.0198 0.0220 0.0220 0.0281 0.0272 0.0276 0.0326 0.0314 0.0296 0.0350 0.0354 0.0032 0.0031 0.0014 0.0003 0.0007 0.0007 0.0111 0.0130 0.0140 0.0130 0.0128 0.0146 0.0161 0.0184 0.0166 0.0154 0.0148 0.0165 0.0232 0.0299 0.0258 0.0287 0.0255 0.0179 0.0273 0.0248 0.0320 0.0004 0.0006 0.0004 0.0030 0.0007 0.0105 0.0126 0.0110 0.0128 0.0104 0.0135 0.0152 0.0160 0.0147 0.0237 0.0180 0.0206 0.0182 0.0230 0.0232 0.0277 0.0303 0.0301 0.0279 0.0313 0.0330 0.0343 0.0380 0.0403 0.0248 0.0250 0.0232 0.0219 0.0268 0.0186 0.0212 0.0239 0.0207 0.0234 0.0181 0.0147 0.0187 0.0150 0.0204 0.0207 0.0188 0.0187 0.0193 0.0207 0.0222 0.0247 0.0228 0.0199 0.0199 0.0243 0.0270 0.0328 0.0297 0.0022 0.0022 0.0024 0.0005 0.0003 0.0022 galactose 0.0233 0.0285 0.0282 0.0266 0.0236 0.0447 0.0130 0.0106 0.0156 0.0155 0.0175 0.0144 0.0232 0.0339 0.0269 0.0326 0.0243 0.0291 0.0194 0.0234 0.0213 0.0229 0.0185 0.0214 0.0023 0.0036 0.0041 0.0032 0.0036 0.0032 0.0652 0.0911 0.1168 0.0967 0.0924 0.0835 0.0661 0.0709 0.0768 0.0890 0.0842 0.0391 0.0363 0.0503 0.0392 0.0521 0.0362 0.0357 0.0338 0.0320 0.0432 0.0090 0.0125 0.0129 0.0112 0.0128 0.2147 0.2163 0.1987 0.2083 0.1981 0.1951 0.1386 0.1604 0.1481 0.1563 0.1534 0.1638 0.0908 0.0848 0.0861 0.0884 0.0854 0.0949 0.0791 0.0751 0.0905 0.0835 0.0789 0.0729 0.1134 0.1037 0.0908 0.0820 0.0916 0.0429 0.0350 0.0404 0.0467 0.0376 0.0668 0.0222 0.0157 0.0184 0.0140 0.0144 0.0246 0.0233 0.0234 0.0183 0.0244 0.0224 0.0290 0.0185 0.0190 0.0167 0.0158 0.0166 0.0169 0.0012 0.0022 0.0017 0.0016 0.0013 0.0011 glucose 0.1035 0.1134 0.1162 0.1064 0.1010 0.1904 0.0438 0.0356 0.0515 0.0504 0.0769 0.0453 0.0829 0.1080 0.1043 0.1145 0.1042 0.1141 0.0647 0.0700 0.0714 0.0814 0.0807 0.0802 0.0088 0.0086 0.0116 0.0094 0.0158 0.0110 0.1251 0.1924 0.2235 0.1599 0.1752 0.1973 0.1979 0.2023 0.1719 0.2185 0.1880 0.0995 0.1134 0.1427 0.1460 0.1721 0.0954 0.0777 0.0871 0.0861 0.1305 0.0101 0.0140 0.0158 0.0181 0.0211 0.2178 0.2138 0.2006 0.2606 0.2182 0.2554 0.1547 0.1757 0.1623 0.2787 0.2055 0.2562 0.1139 0.1178 0.1230 0.1548 0.1820 0.1888 0.1284 0.1380 0.1547 0.1573 0.1463 0.1717 0.1166 0.1197 0.1195 0.1009 0.1356 0.1190 0.0997 0.1260 0.1377 0.1191 0.2112 0.0480 0.0443 0.0521 0.0515 0.0527 0.0877 0.0702 0.0695 0.0654 0.0804 0.0826 0.1019 0.0440 0.0428 0.0416 0.0404 0.0548 0.0522 0.0046 0.0064 0.0059 0.0077 0.0042 0.0040 glucose-1-phosphate 0.0518 0.0527 0.0624 0.0371 0.0293 0.0993 0.0552 0.0397 0.0498 0.0549 0.0669 0.0488 0.0861 0.0882 0.0738 0.0705 0.0743 0.0861 0.0749 0.0817 0.0453 0.0635 0.0909 0.0890 0.0142 0.0122 0.0096 0.0117 0.0117 0.0110 0.0777 0.1160 0.1080 0.0719 0.0934 0.0698 0.0780 0.0916 0.0449 0.0868 0.0731 0.0838 0.0850 0.1059 0.0826 0.0942 0.0709 0.0853 0.0600 0.0573 0.0810 0.0152 0.0134 0.0084 0.0102 0.0105 0.0610 0.0465 0.0628 0.0731 0.0631 0.0729 0.0457 0.0594 0.0548 0.0573 0.0583 0.0744 0.0506 0.0543 0.0693 0.0777 0.0568 0.0600 0.0556 0.0545 0.0454 0.0514 0.0544 0.0460 0.0525 0.0535 0.0331 0.0418 0.0462 0.0288 0.0113 0.0225 0.0393 0.0284 0.0604 0.0246 0.0176 0.0210 0.0269 0.0232 0.0323 0.0282 0.0301 0.0320 0.0329 0.0311 0.0325 0.0384 0.0321 0.0335 0.0381 0.0344 0.0362 0.0030 0.0039 0.0034 0.0023 0.0026 0.0032 glucose_ Cl adduct 0.0324 0.0371 0.0331 0.0358 0.0328 0.0477 0.0178 0.0118 0.0199 0.0165 0.0266 0.0208 0.0305 0.0352 0.0352 0.0385 0.0325 0.0363 0.0246 0.0176 0.0223 0.0340 0.0261 0.0256 0.0019 0.0021 0.0030 0.0027 0.0046 0.0032 0.0422 0.0516 0.0638 0.0540 0.0529 0.0710 0.0613 0.0653 0.0607 0.0694 0.0653 0.0346 0.0375 0.0543 0.0463 0.0627 0.0311 0.0292 0.0303 0.0215 0.0433 0.0025 0.0031 0.0044 0.0046 0.0060 0.0676 0.0687 0.0634 0.0894 0.0597 0.0801 0.0589 0.0563 0.0520 0.0790 0.0636 0.0717 0.0332 0.0568 0.0434 0.0538 0.0654 0.0601 0.0378 0.0429 0.0550 0.0480 0.0427 0.0487 0.0357 0.0359 0.0370 0.0294 0.0417 0.0451 0.0382 0.0451 0.0413 0.0403 0.0650 0.0179 0.0171 0.0178 0.0199 0.0202 0.0298 0.0241 0.0261 0.0221 0.0248 0.0259 0.0318 0.0132 0.0167 0.0188 0.0152 0.0187 0.0205 0.0015 0.0018 0.0011 0.0029 0.0016 0.0015 glutamic acid 1.8254 1.5620 1.7852 1.5402 1.5410 1.6933 1.9172 1.8391 2.0056 2.1679 1.8658 1.9004 1.9440 1.8029 1.6792 1.8088 2.0654 1.9320 1.8581 2.1218 2.1041 1.9103 2.0148 2.1289 1.9358 1.8691 2.1336 2.0222 1.9269 1.9610 1.2519 1.5461 1.5738 1.3579 1.4324 1.3436 1.3053 1.3970 1.4950 1.4387 1.2462 1.5385 1.4394 1.5872 1.5336 1.3712 1.4667 1.3786 1.5039 1.5118 1.4723 0.6191 0.6843 1.0643 0.7218 0.9624 0.8568 0.8383 0.8582 1.0067 0.7885 0.7798 0.8484 1.0308 0.9520 0.8636 0.9002 0.8064 0.9847 0.8700 0.8686 1.0270 0.8521 1.0429 0.9884 0.8767 1.0181 1.0180 0.9801 1.0081 0.9652 1.0090 0.9326 0.8927 0.8526 0.9896 0.5805 0.8470 0.9408 0.6897 0.8572 0.9940 0.7880 0.9811 0.8571 0.7306 0.8347 0.9567 0.8642 0.7654 0.8758 0.8259 0.7456 1.1580 1.0505 1.0592 1.1762 1.1672 1.0581 0.6720 0.6986 0.8324 0.7731 0.7347 0.5377 glutamine 0.0614 0.0592 0.0751 0.0746 0.0762 0.1055 0.0758 0.0751 0.0778 0.0892 0.0974 0.0852 0.0647 0.0711 0.0699 0.0872 0.0771 0.0712 0.0511 0.0526 0.0481 0.0614 0.0590 0.0559 0.0268 0.0228 0.0376 0.0290 0.0312 0.0312 0.1018 0.1165 0.1433 0.1455 0.1268 0.1474 0.1464 0.1400 0.1307 0.1351 0.1371 0.0759 0.0824 0.1048 0.0990 0.1411 0.0706 0.0551 0.0763 0.0618 0.0894 0.0183 0.0240 0.0360 0.0255 0.0321 0.1121 0.1188 0.1223 0.1246 0.1037 0.1081 0.1372 0.1385 0.1279 0.1441 0.1382 0.1430 0.0915 0.0952 0.0929 0.0868 0.1008 0.1065 0.0686 0.0590 0.0728 0.0599 0.0591 0.0663 0.0424 0.0466 0.0451 0.0488 0.0442 0.0474 0.0405 0.0743 0.0776 0.0540 0.1028 0.0657 0.0612 0.0702 0.0708 0.0542 0.0727 0.0576 0.0522 0.0576 0.0606 0.0521 0.0600 0.0461 0.0621 0.0583 0.0532 0.0530 0.0501 0.0177 0.0145 0.0212 0.0173 0.0194 0.0162 glutathione 0.0899 0.0577 0.0143 0.0042 0.0321 0.0130 0.0970 0.0630 0.0761 0.1417 0.0239 0.0903 0.0399 0.1328 0.0479 0.0402 0.0667 0.0769 0.0277 0.0129 0.1520 0.1347 0.0470 0.0239 0.0291 0.0379 0.0815 0.1151 0.1951 0.1108 0.1067 0.1759 0.1463 0.0225 0.1129 0.0214 0.0276 0.0338 0.0491 0.0474 0.0427 0.0317 0.0027 0.0430 0.0756 0.0260 0.1187 0.1639 0.0333 0.1239 0.1536 0.0267 0.0132 0.2048 0.0079 0.0151 0.0201 0.0156 0.0505 0.0888 0.0611 0.0397 0.0238 0.0193 0.0178 0.0277 0.0209 0.0159 0.0209 0.0260 0.0214 0.0479 0.0093 0.0238 0.0147 0.0163 0.0247 0.0334 0.0330 0.0119 0.0139 0.0321 0.0114 0.0180 0.0117 0.0074 0.0063 0.0033 0.0128 0.0075 0.0103 0.0125 0.0088 0.0091 0.0123 0.0249 0.0489 0.0079 0.0150 0.0067 0.0105 0.0120 0.0074 0.0052 0.0164 0.0136 0.0390 0.0315 0.0201 0.0039 0.0575 0.0235 0.0836 0.0151 0.0118 inosine 0.0022 0.0042 0.0027 0.0036 0.0054 0.0036 0.0043 0.0032 0.0036 0.0037 0.0030 0.0051 0.0072 0.0061 0.0042 0.0037 0.0055 0.0069 0.0031 0.0061 0.0045 0.0040 0.0039 0.0045 0.0022 0.0025 0.0023 0.0039 0.0022 0.0036 0.0120 0.0241 0.0151 0.0217 0.0182 0.0069 0.0091 0.0083 0.0101 0.0094 0.0099 0.0172 0.0242 0.0186 0.0332 0.0088 0.0083 0.0092 0.0050 0.0106 0.0092 0.0169 0.0040 0.0110 0.0039 0.0083 0.0086 0.0044 0.0057 0.0068 0.0105 0.0052 0.0056 0.0052 0.0092 0.0064 0.0069 0.0210 0.0155 0.0123 0.0270 0.0137 0.0157 0.0033 0.0045 0.0050 0.0100 0.0116 0.0135 0.0079 0.0034 0.0113 0.0027 0.0039 0.0023 0.0023 0.0015 0.0016 0.0018 0.0030 0.0029 0.0038 0.0017 0.0018 0.0022 0.0032 0.0031 0.0056 0.0026 0.0038 0.0039 0.0034 0.0035 0.0036 0.0031 0.0035 0.0025 0.0074 0.0019 0.0035 0.0016 0.0032 0.0013 0.0013 L-2_3-Dihydrodipicolinate 0.0688 0.0430 0.0723 0.0667 0.0485 0.0620 0.0443 0.0606 0.0620 0.0660 0.0462 0.0696 0.0653 0.0484 0.0455 0.0622 0.0674 0.0683 0.0608 0.0574 0.0517 0.0790 0.0612 0.0707 0.0402 0.0411 0.0638 0.0439 0.0457 0.0526 0.0464 0.0500 0.0529 0.0683 0.0544 0.0638 0.0485 0.0599 0.0593 0.0521 0.0551 0.0695 0.0491 0.0713 0.0687 0.0570 0.0510 0.0517 0.0530 0.0405 0.0587 0.0334 0.0311 0.0374 0.0298 0.0371 0.0379 0.0452 0.0412 0.0456 0.0366 0.0328 0.0550 0.0544 0.0502 0.0438 0.0489 0.0411 0.0522 0.0503 0.0475 0.0469 0.0417 0.0456 0.0498 0.0423 0.0491 0.0459 0.0444 0.0459 0.0396 0.0407 0.0410 0.0343 0.0393 0.0506 0.0446 0.0416 0.0466 0.0352 0.0348 0.0436 0.0493 0.0462 0.0444 0.0446 0.0408 0.0436 0.0518 0.0405 0.0410 0.0426 0.0391 0.0501 0.0505 0.0541 0.0482 0.0490 0.0434 0.0262 0.0245 0.0335 0.0356 0.0327 0.0276 lysine 0.0044 0.0046 0.0040 0.0039 0.0045 0.0042 0.0045 0.0045 0.0060 0.0055 0.0046 0.0059 0.0058 0.0048 0.0037 0.0054 0.0047 0.0057 0.0061 0.0055 0.0057 0.0023 0.0059 0.0054 0.0153 0.0110 0.0122 0.0172 0.0144 0.0128 0.0067 0.0103 0.0085 0.0083 0.0084 0.0081 0.0063 0.0055 0.0066 0.0071 0.0057 0.0130 0.0087 0.0107 0.0111 0.0095 0.0110 0.0103 0.0112 0.0114 0.0110 0.0097 0.0159 0.0154 0.0135 0.0159 0.0052 0.0056 0.0058 0.0058 0.0046 0.0050 0.0060 0.0080 0.0073 0.0067 0.0066 0.0052 0.0085 0.0127 0.0086 0.0102 0.0094 0.0092 0.0084 0.0077 0.0088 0.0110 0.0098 0.0104 0.0117 0.0108 0.0111 0.0098 0.0091 0.0035 0.0027 0.0038 0.0038 0.0028 0.0043 0.0049 0.0039 0.0018 0.0041 0.0031 0.0036 0.0042 0.0037 0.0030 0.0036 0.0035 0.0029 0.0055 0.0044 0.0055 0.0059 0.0048 0.0054 0.0045 0.0036 0.0048 0.0055 0.0044 0.0029 N-acetyl-galactosamine 0.0099 0.0095 0.0093 0.0059 0.0085 0.0106 0.0104 0.0113 0.0108 0.0122 0.0123 0.0136 0.0097 0.0095 0.0105 0.0106 0.0097 0.0100 0.0138 0.0068 0.0138 0.0140 0.0054 0.0142 0.0020 0.0118 0.0035 0.0143 0.0064 0.0131 0.0024 0.0031 0.0033 0.0035 0.0031 0.0028 0.0018 0.0024 0.0031 0.0029 0.0082 0.0036 0.0028 0.0030 0.0033 0.0030 0.0035 0.0039 0.0027 0.0036 0.0038 0.0019 0.0021 0.0032 0.0016 0.0030 0.0026 0.0025 0.0036 0.0020 0.0018 0.0021 0.0041 0.0040 0.0037 0.0042 0.0036 0.0018 0.0019 0.0058 0.0063 0.0041 0.0015 0.0032 0.0015 0.0030 0.0029 0.0026 0.0052 0.0024 0.0045 0.0037 0.0041 0.0037 0.0046 0.0064 0.0061 0.0068 0.0077 0.0053 0.0074 0.0045 0.0061 0.0049 0.0042 0.0042 0.0050 0.0034 0.0042 0.0038 0.0065 0.0040 0.0045 0.0051 0.0054 0.0064 0.0053 0.0049 0.0058 0.0055 0.0052 0.0059 0.0069 0.0064 0.0042 N-acetyl-glutamic acid 0.0923 0.1002 0.1188 0.1196 0.0946 0.1203 0.1254 0.1064 0.1222 0.1218 0.1266 0.1248 0.1136 0.1178 0.0998 0.1176 0.1183 0.1113 0.2050 0.2070 0.1825 0.2060 0.1946 0.2278 0.3218 0.3066 0.3008 0.3187 0.3376 0.3263 0.0620 0.0668 0.0603 0.0739 0.0657 0.0661 0.0630 0.0708 0.0672 0.0664 0.0536 0.0923 0.0845 0.0962 0.0770 0.0724 0.0973 0.1098 0.0913 0.1064 0.0819 0.0250 0.0378 0.0366 0.0358 0.0458 0.0662 0.0740 0.0594 0.0618 0.0477 0.0554 0.0552 0.0676 0.0624 0.0583 0.0599 0.0560 0.0836 0.0679 0.0682 0.0664 0.0592 0.0783 0.1145 0.1126 0.1240 0.1080 0.1016 0.1029 0.1703 0.1601 0.1424 0.1404 0.1303 0.1199 0.0909 0.1129 0.1048 0.0913 0.1141 0.0961 0.1078 0.1114 0.0951 0.0739 0.0832 0.1099 0.1109 0.0847 0.0939 0.0886 0.0806 0.1805 0.1828 0.1836 0.1434 0.1525 0.1511 0.2707 0.2962 0.3624 0.2978 0.2482 0.1826 N-acetyl-neuraminic acid 0.0054 0.0032 0.0022 0.0015 0.0039 0.0020 0.0059 0.0032 0.0048 0.0084 0.0026 0.0044 0.0034 0.0072 0.0031 0.0032 0.0032 0.0044 0.0028 0.0032 0.0085 0.0067 0.0025 0.0039 0.0026 0.0021 0.0046 0.0063 0.0113 0.0061 0.0070 0.0103 0.0092 0.0014 0.0070 0.0013 0.0013 0.0020 0.0026 0.0025 0.0026 0.0018 0.0003 0.0027 0.0047 0.0015 0.0077 0.0111 0.0018 0.0084 0.0096 0.0013 0.0013 0.0136 0.0005 0.0013 0.0012 0.0009 0.0034 0.0060 0.0044 0.0023 0.0013 0.0012 0.0011 0.0020 0.0013 0.0010 0.0013 0.0015 0.0013 0.0023 0.0004 0.0014 0.0010 0.0011 0.0014 0.0015 0.0018 0.0008 0.0009 0.0019 0.0007 0.0012 0.0008 0.0035 0.0023 0.0046 0.0032 0.0040 0.0040 0.0034 0.0041 0.0034 0.0035 0.0032 0.0032 0.0066 0.0042 0.0039 0.0044 0.0044 0.0040 0.0059 0.0058 0.0057 0.0065 0.0069 0.0117 0.0022 0.0028 0.0016 0.0048 0.0026 0.0019 oxoproline 0.0025 0.0046 0.0046 0.0036 0.0083 0.0083 0.0058 0.0051 0.0149 0.0091 0.0065 0.0095 0.0062 0.0095 0.0079 0.0057 0.0036 0.0072 0.0064 0.0144 0.0083 0.0099 0.0078 0.0063 0.0076 0.0073 0.0132 0.0115 0.0238 0.0173 0.0100 0.0229 0.0208 0.0178 0.0179 0.0143 0.0110 0.0122 0.0147 0.0116 0.0180 0.0130 0.0126 0.0122 0.0196 0.0116 0.0162 0.0122 0.0116 0.0282 0.0126 0.0144 0.1031 0.0221 0.0321 0.0280 0.0352 0.0135 0.0109 0.0116 0.0143 0.0124 0.0155 0.0188 0.0173 0.0141 0.0166 0.0171 0.0225 0.0134 0.0109 0.0109 0.0129 0.0174 0.0112 0.0125 0.0122 0.0127 0.0126 0.0119 0.0203 0.0216 0.0231 0.0171 0.0179 0.0038 0.0025 0.0032 0.0034 0.0062 0.0111 0.0043 0.0048 0.0044 0.0073 0.0053 0.0071 0.0049 0.0091 0.0046 0.0073 0.0062 0.0045 0.0065 0.0062 0.0062 0.0144 0.0071 0.0061 0.0039 0.0069 0.0051 0.0059 0.0044 0.0031 PA34:1 0.0053 0.0101 0.0047 0.0028 0.0039 0.0068 0.0128 0.0135 0.0059 0.0055 0.0086 0.0045 0.0103 0.0086 0.0149 0.0052 0.0065 0.0083 0.0087 0.0093 0.0077 0.0100 0.0105 0.0086 0.0074 0.0107 0.0068 0.0067 0.0063 0.0142 0.0108 0.0059 0.0056 0.0028 0.0062 0.0033 0.0038 0.0066 0.0070 0.0027 0.0070 0.0021 0.0116 0.0143 0.0040 0.0105 0.0086 0.0106 0.0062 0.0058 0.0120 0.0051 0.0104 0.0053 0.0107 0.0137 0.0042 0.0015 0.0027 0.0020 0.0023 0.0029 0.0031 0.0034 0.0031 0.0060 0.0038 0.0036 0.0049 0.0029 0.0089 0.0022 0.0062 0.0048 0.0076 0.0100 0.0055 0.0019 0.0056 0.0033 0.0103 0.0056 0.0050 0.0026 0.0135 0.0018 0.0018 0.0020 0.0043 0.0081 0.0173 0.0022 0.0016 0.0039 0.0034 0.0045 0.0059 0.0019 0.0031 0.0100 0.0056 0.0060 0.0164 0.0033 0.0071 0.0061 0.0066 0.0070 0.0144 0.0074 0.0060 0.0042 0.0019 0.0051 0.0128 PA36:2 0.0412 0.0682 0.0290 0.0148 0.0342 0.0485 0.0682 0.0863 0.0421 0.0479 0.0635 0.0148 0.0648 0.0556 0.0942 0.0723 0.0491 0.0610 0.0597 0.0662 0.0556 0.0709 0.0785 0.0583 0.0381 0.0494 0.0402 0.0373 0.0314 0.0691 0.0781 0.0458 0.0489 0.0188 0.0479 0.0217 0.0308 0.0359 0.0481 0.0482 0.0515 0.0296 0.0747 0.0798 0.0276 0.0687 0.0496 0.0560 0.0411 0.0352 0.0659 0.0242 0.0400 0.0215 0.0466 0.0628 0.0282 0.0168 0.0154 0.0246 0.0297 0.0551 0.0295 0.0418 0.0386 0.0396 0.0353 0.0272 0.0304 0.0274 0.0578 0.0178 0.0367 0.0365 0.0468 0.0551 0.0472 0.0261 0.0290 0.0371 0.0593 0.0308 0.0240 0.0362 0.0698 0.0170 0.0221 0.0181 0.0261 0.0681 0.1162 0.0469 0.0113 0.0303 0.0185 0.0306 0.0337 0.0138 0.0309 0.0707 0.0415 0.0456 0.1099 0.0504 0.0489 0.0513 0.0411 0.0470 0.0958 0.0387 0.0339 0.0208 0.0221 0.0265 0.0675 pantothenic acid 0.0082 0.0096 0.0099 0.0056 0.0077 0.0095 0.0117 0.0086 0.0114 0.0108 0.0105 0.0120 0.0095 0.0086 0.0087 0.0096 0.0099 0.0096 0.0059 0.0062 0.0063 0.0079 0.0029 0.0032 0.0089 0.0134 0.0168 0.0115 0.0120 0.0197 0.0024 0.0028 0.0025 0.0026 0.0026 0.0021 0.0019 0.0027 0.0014 0.0019 0.0019 0.0020 0.0026 0.0017 0.0019 0.0019 0.0020 0.0025 0.0015 0.0021 0.0020 0.0138 0.0151 0.0049 0.0092 0.0024 0.0122 0.0111 0.0087 0.0101 0.0075 0.0103 0.0061 0.0082 0.0076 0.0071 0.0071 0.0067 0.0071 0.0068 0.0073 0.0069 0.0055 0.0070 0.0047 0.0053 0.0074 0.0026 0.0051 0.0053 0.0041 0.0050 0.0038 0.0031 0.0036 0.0274 0.0230 0.0223 0.0227 0.0189 0.0242 0.0201 0.0178 0.0194 0.0161 0.0152 0.0186 0.0188 0.0214 0.0160 0.0177 0.0192 0.0174 0.0154 0.0203 0.0188 0.0151 0.0176 0.0184 0.0376 0.0524 0.0585 0.0566 0.0417 0.0395 PG32:0 0.0516 0.0610 0.0663 0.0471 0.0411 0.0696 0.0340 0.0412 0.0539 0.0577 0.0493 0.0640 0.0487 0.0654 0.0609 0.0498 0.0391 0.0617 0.0551 0.0524 0.0586 0.0572 0.0628 0.0724 0.0430 0.0481 0.0554 0.0417 0.0384 0.0399 0.0516 0.0528 0.0540 0.0521 0.0526 0.0675 0.0371 0.0732 0.0355 0.0409 0.0703 0.0540 0.0423 0.0803 0.0664 0.0845 0.0726 0.0627 0.0924 0.0696 0.0657 0.0244 0.0378 0.0520 0.0309 0.0393 0.0092 0.0582 0.0563 0.0418 0.0506 0.0065 0.0490 0.0366 0.0338 0.0517 0.0420 0.0391 0.0442 0.0481 0.0567 0.0385 0.0404 0.0378 0.0455 0.0607 0.0693 0.0633 0.0660 0.0665 0.0411 0.0565 0.0569 0.0494 0.0470 0.0197 0.0251 0.0284 0.0368 0.0248 0.0311 0.0155 0.0186 0.0272 0.0371 0.0246 0.0390 0.0076 0.0278 0.0256 0.0329 0.0236 0.0295 0.0216 0.0318 0.0339 0.0410 0.0282 0.0320 0.0159 0.0389 0.0359 0.0296 0.0343 0.0353 PG32:1 0.0447 0.0419 0.0436 0.0329 0.0300 0.0435 0.0330 0.0423 0.0369 0.0403 0.0395 0.0528 0.0474 0.0487 0.0426 0.0407 0.0425 0.0354 0.0518 0.0533 0.0538 0.0424 0.0440 0.0529 0.0342 0.0376 0.0444 0.0317 0.0345 0.0360 0.0410 0.0530 0.0453 0.0448 0.0460 0.0481 0.0410 0.0564 0.0448 0.0351 0.0472 0.0428 0.0402 0.0607 0.0526 0.0584 0.0598 0.0531 0.0686 0.0678 0.0496 0.0244 0.0263 0.0239 0.0257 0.0275 0.0509 0.0536 0.0504 0.0467 0.0360 0.0317 0.0452 0.0593 0.0548 0.0209 0.0448 0.0439 0.0422 0.0666 0.0585 0.0432 0.0493 0.0550 0.0536 0.0532 0.0582 0.0458 0.0544 0.0570 0.0406 0.0561 0.0578 0.0379 0.0406 0.0270 0.0265 0.0288 0.0342 0.0274 0.0327 0.0236 0.0281 0.0251 0.0289 0.0285 0.0416 0.0339 0.0324 0.0224 0.0312 0.0289 0.0382 0.0365 0.0431 0.0379 0.0512 0.0449 0.0346 0.0158 0.0335 0.0346 0.0248 0.0296 0.0279 PG33:1 0.0231 0.0038 0.0206 0.0199 0.0166 0.0228 0.0141 0.0181 0.0220 0.0228 0.0030 0.0203 0.0186 0.0188 0.0175 0.0172 0.0169 0.0179 0.0194 0.0154 0.0196 0.0183 0.0165 0.0190 0.0237 0.0211 0.0260 0.0272 0.0180 0.0208 0.0668 0.0947 0.0784 0.0706 0.0776 0.0690 0.0592 0.0773 0.0437 0.0627 0.0692 0.0477 0.0379 0.0627 0.0531 0.0617 0.0531 0.0449 0.0601 0.0623 0.0449 0.0454 0.0555 0.0402 0.0482 0.0337 0.0892 0.0987 0.0991 0.0823 0.0921 0.0578 0.0789 0.0868 0.0802 0.0797 0.0800 0.0744 0.0742 0.0630 0.0721 0.0691 0.0631 0.0685 0.0535 0.0653 0.0701 0.0654 0.0684 0.0699 0.0428 0.0748 0.0595 0.0515 0.0521 0.0211 0.0207 0.0240 0.0220 0.0196 0.0199 0.0146 0.0171 0.0197 0.0177 0.0153 0.0224 0.0133 0.0156 0.0134 0.0174 0.0131 0.0171 0.0100 0.0165 0.0147 0.0199 0.0165 0.0138 0.0074 0.0158 0.0147 0.0141 0.0143 0.0139 PG34:0 0.2994 0.2679 0.2948 0.2176 0.1999 0.2783 0.1704 0.2654 0.2554 0.2895 0.2384 0.3119 0.2752 0.2737 0.2551 0.2302 0.2605 0.2728 0.2984 0.3391 0.3396 0.2867 0.2742 0.3384 0.2742 0.2334 0.2966 0.2989 0.2754 0.2065 0.2026 0.2988 0.2349 0.2071 0.2358 0.2220 0.1931 0.2522 0.1841 0.1960 0.2158 0.1962 0.1432 0.2455 0.2295 0.2544 0.2421 0.1917 0.2918 0.2927 0.1920 0.1307 0.1417 0.1988 0.1355 0.1264 0.1735 0.1896 0.2034 0.2163 0.1953 0.1291 0.1541 0.1852 0.1710 0.1587 0.1725 0.1933 0.1905 0.1568 0.1761 0.1820 0.1575 0.1749 0.1949 0.1830 0.2117 0.2111 0.1960 0.2129 0.1316 0.2106 0.2227 0.2016 0.1318 0.1057 0.1190 0.1468 0.2318 0.1182 0.1245 0.0997 0.1159 0.1457 0.1565 0.1206 0.1816 0.1368 0.1373 0.1292 0.1983 0.1239 0.1711 0.1642 0.1797 0.1602 0.2531 0.2143 0.1398 0.0742 0.1624 0.1670 0.1709 0.1571 0.1452 PG34:1 2.3466 2.1067 2.2408 1.7659 1.5482 2.1947 1.3443 2.0807 2.4236 2.1940 1.8532 2.4767 2.0953 2.1644 2.0013 1.9039 2.0300 2.0973 2.4355 2.5939 2.6258 2.1115 2.1862 2.5605 2.3622 1.9619 2.3523 2.4987 2.1154 1.6841 1.6409 2.4417 1.8911 1.7092 1.9207 1.9408 1.5972 2.1156 1.5183 1.7314 1.7801 2.0603 1.2286 2.1007 1.8994 2.1024 2.0273 1.6412 2.4463 2.4301 1.5916 1.0871 1.1944 1.2173 1.1417 1.0779 1.3974 1.6147 1.6193 1.7501 1.5274 0.8190 1.3583 1.5869 1.4656 1.4255 1.4271 1.2989 1.5514 1.3473 1.5247 1.5161 1.3346 1.4569 1.5893 1.5223 1.6356 1.6706 1.6345 1.6815 0.9911 1.6999 1.7305 1.5771 1.1486 0.8704 0.9439 1.1822 1.7767 0.9609 1.0419 0.7737 0.9741 1.1719 1.2936 0.9533 1.4225 1.1308 1.1604 1.0570 1.5190 1.0303 1.4076 1.3190 1.5101 1.2940 2.0045 1.6830 1.1827 0.6116 1.3648 1.2844 1.4250 1.1771 1.1891 PG34:2 0.5067 0.4826 0.5017 0.4578 0.3959 0.4660 0.3904 0.5582 0.5869 0.6944 0.5783 0.5839 0.5496 0.5917 0.4885 0.5545 0.6247 0.5620 0.5971 0.6548 0.6470 0.5746 0.5798 0.6401 0.3692 0.3233 0.3897 0.4234 0.3726 0.3069 0.5935 0.7579 0.8159 0.5993 0.6917 0.6512 0.5575 0.6566 0.6199 0.6382 0.5287 0.7257 0.4817 0.6555 0.6361 0.6599 0.6216 0.5392 0.7297 0.6992 0.5182 0.1762 0.1800 0.2795 0.1784 0.2093 0.7129 0.7293 0.7476 0.8877 0.6939 0.5292 0.6440 0.7580 0.7000 0.6774 0.6977 0.7093 0.7274 0.6414 0.7072 0.7634 0.6358 0.7281 0.6371 0.6048 0.6360 0.6988 0.6153 0.6865 0.3788 0.5372 0.5413 0.4698 0.4034 0.6935 0.5544 0.6790 0.7181 0.5677 0.4953 0.6266 0.5755 0.7222 0.5119 0.5624 0.6281 0.7096 0.6062 0.5686 0.6548 0.5374 0.5929 0.7222 0.7261 0.6029 0.7615 0.7892 0.5401 0.2447 0.4080 0.4320 0.4158 0.3704 0.3189 PG35:2 0.1382 0.1437 0.1386 0.1236 0.1136 0.1360 0.0966 0.1249 0.1517 0.1704 0.1465 0.1383 0.1218 0.1447 0.1207 0.1288 0.1393 0.1326 0.1491 0.1691 0.1529 0.1307 0.1489 0.1581 0.1810 0.1650 0.2075 0.2248 0.1628 0.1552 0.4776 0.5641 0.5929 0.4411 0.5189 0.4394 0.3916 0.4588 0.4368 0.4271 0.3434 0.3832 0.2635 0.3688 0.3605 0.3924 0.3519 0.2928 0.4191 0.4146 0.2810 0.2931 0.3033 0.3357 0.2887 0.2279 0.7251 0.7114 0.7958 0.8460 0.6031 0.5424 0.6057 0.7309 0.6750 0.6721 0.6792 0.7123 0.6346 0.5440 0.5565 0.5897 0.5247 0.5887 0.5781 0.5589 0.4815 0.6414 0.5377 0.6361 0.3561 0.4977 0.5503 0.5044 0.4409 0.2369 0.2057 0.2521 0.2755 0.2170 0.1812 0.1995 0.2067 0.2521 0.1848 0.2049 0.2316 0.2291 0.2016 0.1963 0.2211 0.1858 0.2022 0.2540 0.2549 0.1967 0.2496 0.2764 0.1814 0.1201 0.2332 0.2286 0.2150 0.1737 0.1832 PG36:0 0.1197 0.1101 0.1118 0.0990 0.0851 0.1114 0.0614 0.0948 0.1211 0.1169 0.0989 0.1192 0.0894 0.1047 0.0951 0.0954 0.1004 0.0964 0.1168 0.1267 0.1244 0.0967 0.1074 0.1212 0.1011 0.0831 0.1062 0.1155 0.0856 0.0697 0.0849 0.1112 0.0987 0.0848 0.0949 0.0846 0.0768 0.0921 0.0746 0.0751 0.0062 0.0785 0.0465 0.0753 0.0774 0.0834 0.0752 0.0596 0.0904 0.0906 0.0600 0.0334 0.0360 0.0445 0.0055 0.0337 0.0641 0.0706 0.0712 0.0737 0.0581 0.0096 0.0602 0.0677 0.0625 0.0596 0.0621 0.0602 0.0626 0.0529 0.0560 0.0556 0.0484 0.0578 0.0581 0.0532 0.0546 0.0575 0.0572 0.0613 0.0328 0.0514 0.0547 0.0507 0.0388 0.0522 0.0530 0.0597 0.0810 0.0529 0.0498 0.0437 0.0507 0.0600 0.0543 0.0516 0.0688 0.0573 0.0531 0.0514 0.0639 0.0491 0.0616 0.0633 0.0677 0.0533 0.0804 0.0787 0.0497 0.0240 0.0505 0.0488 0.0504 0.0384 0.0468 PG36:2 9.6616 9.1647 9.3148 9.2381 7.8838 9.2695 6.0565 9.6312 10.3997 12.1059 10.2618 10.8724 9.3401 10.2719 8.4694 10.2201 10.4147 9.3197 10.5849 11.4774 11.3920 10.9856 10.6264 11.1707 9.0436 7.2914 8.9753 10.0734 8.6973 6.4802 9.9338 12.2931 12.5453 10.5588 11.3328 10.8697 9.1502 10.9563 9.4764 9.8198 8.9529 9.8376 6.1378 9.9629 9.3292 9.8345 8.8180 7.1373 10.8507 10.2836 7.0003 4.3180 4.8080 6.1549 4.5036 4.0815 8.2620 9.4362 9.4566 9.9196 7.8994 5.7990 8.1851 8.8140 8.1401 7.8329 8.2957 8.5065 8.0929 7.4645 8.0957 7.7147 6.7564 7.9684 7.6076 7.0697 8.1702 7.7086 7.7790 8.2372 4.3677 7.7233 7.2072 6.5090 5.3074 7.0565 6.6644 7.6645 8.3342 6.3908 5.2598 6.2584 6.5803 7.8335 6.0652 6.3878 7.2463 7.8222 7.1363 6.4862 7.3933 5.9891 6.8065 8.3627 8.4360 7.3958 9.2249 9.3674 5.8059 3.0574 5.9047 5.8471 6.1784 5.7871 4.9397 PG36:3 0.0347 0.0411 0.0398 0.0148 0.0349 0.0361 0.0258 0.0354 0.0438 0.0526 0.0482 0.0471 0.0368 0.0420 0.0357 0.0459 0.0425 0.0369 0.0429 0.0451 0.0410 0.0450 0.0430 0.0415 0.0306 0.0258 0.0309 0.0346 0.0273 0.0244 0.0447 0.0507 0.0583 0.0498 0.0509 0.0480 0.0361 0.0438 0.0477 0.0403 0.0365 0.0386 0.0274 0.0406 0.0351 0.0412 0.0331 0.0264 0.0431 0.0365 0.0264 0.0167 0.0196 0.0194 0.0180 0.0162 0.0502 0.0513 0.0535 0.0530 0.0372 0.0405 0.0444 0.0482 0.0445 0.0439 0.0462 0.0501 0.0397 0.0450 0.0426 0.0376 0.0344 0.0393 0.0412 0.0391 0.0402 0.0373 0.0355 0.0374 0.0217 0.0340 0.0314 0.0266 0.0255 0.0818 0.0601 0.0628 0.0470 0.0542 0.0354 0.0610 0.0514 0.0579 0.0347 0.0482 0.0430 0.0541 0.0442 0.0407 0.0382 0.0391 0.0375 0.0535 0.0482 0.0454 0.0418 0.0498 0.0324 0.0151 0.0285 0.0265 0.0254 0.0235 0.0226 PG37:2 0.1644 0.1454 0.1513 0.1468 0.1263 0.1447 0.0661 0.1324 0.1244 0.1495 0.1273 0.1328 0.0881 0.1053 0.0925 0.1015 0.1071 0.0962 0.1102 0.1232 0.1217 0.0970 0.0983 0.1098 0.1439 0.1452 0.1551 0.1618 0.1343 0.1054 0.3798 0.4287 0.4169 0.3869 0.4031 0.3283 0.2880 0.3417 0.3109 0.3398 0.2837 0.2483 0.1367 0.2368 0.2543 0.2575 0.2293 0.1724 0.2911 0.2830 0.1709 0.3221 0.3034 0.3754 0.2834 0.1838 0.4012 0.4642 0.4629 0.5053 0.4189 0.2629 0.3975 0.4081 0.3769 0.4045 0.3984 0.4053 0.4018 0.3249 0.3533 0.3697 0.3067 0.3976 0.3223 0.3075 0.3266 0.3127 0.3257 0.3594 0.1866 0.3450 0.3719 0.3484 0.2544 0.2009 0.1709 0.1836 0.2096 0.1682 0.1317 0.1470 0.1346 0.1766 0.1401 0.1296 0.1544 0.1453 0.1181 0.1115 0.1211 0.1014 0.1184 0.1453 0.1452 0.1162 0.1439 0.1647 0.0898 0.0659 0.1462 0.1254 0.1190 0.1073 0.1202 PG38:2 0.0113 0.0105 0.0107 0.0121 0.0096 0.0101 0.0071 0.0100 0.0110 0.0130 0.0113 0.0122 0.0085 0.0097 0.0092 0.0109 0.0104 0.0094 0.0111 0.0115 0.0108 0.0119 0.0104 0.0110 0.0087 0.0078 0.0098 0.0094 0.0089 0.0117 0.0136 0.0140 0.0152 0.0151 0.0145 0.0130 0.0116 0.0121 0.0111 0.0109 0.0116 0.0100 0.0065 0.0109 0.0105 0.0117 0.0100 0.0107 0.0114 0.0103 0.0076 0.0087 0.0088 0.0094 0.0080 0.0058 0.0127 0.0208 0.0134 0.0140 0.0097 0.0080 0.0179 0.0129 0.0119 0.0124 0.0133 0.0113 0.0105 0.0084 0.0076 0.0094 0.0084 0.0097 0.0070 0.0090 0.0174 0.0070 0.0090 0.0070 0.0060 0.0096 0.0140 0.0091 0.0058 0.0103 0.0112 0.0103 0.0113 0.0099 0.0069 0.0079 0.0090 0.0090 0.0084 0.0082 0.0088 0.0086 0.0082 0.0072 0.0079 0.0068 0.0077 0.0092 0.0094 0.0092 0.0091 0.0095 0.0062 0.0037 0.0062 0.0054 0.0101 0.0002 0.0054 phenylalanine 13.3126 14.0662 13.1709 14.4558 13.5329 13.3972 14.8420 14.7807 14.5510 15.2175 14.4866 14.7361 15.6398 14.6104 15.4594 15.3858 15.0632 15.1919 15.5503 15.6936 15.5647 15.2417 15.1112 15.3129 12.4723 12.3581 13.3440 13.3551 12.9792 12.8997 15.8539 16.7528 17.9265 17.7038 17.0592 16.4756 16.5620 17.2043 17.5234 16.6202 19.4372 15.4266 15.3223 15.9435 16.4328 18.5869 16.5358 14.8098 16.7631 16.3738 18.1967 14.0871 14.8376 13.8072 13.7758 13.0441 14.5895 15.0937 14.1951 15.1866 15.0095 13.7801 18.3024 19.3227 17.8453 18.1830 18.1035 16.8642 17.4527 16.1988 17.2404 15.1222 16.0114 15.8109 15.2263 15.1781 16.6115 15.4694 15.2064 15.6995 15.3585 14.8968 13.8305 15.2428 13.9877 14.8553 14.2781 14.2575 14.1155 13.8685 13.5299 14.8706 14.3153 14.3513 14.1194 14.3004 14.7210 14.9623 14.7586 14.4905 14.1050 14.2989 14.2890 15.4611 16.6595 15.2034 15.7773 16.3111 16.4930 9.2747 9.5640 9.5596 9.5505 9.6236 9.7657 pyroglutamic acid 0.0616 0.0535 0.0628 0.0571 0.0615 0.0633 0.0725 0.0684 0.0713 0.0800 0.0632 0.0686 0.0799 0.0694 0.0589 0.0663 0.0771 0.0733 0.0653 0.0739 0.0747 0.0736 0.0790 0.0753 0.0657 0.0741 0.0742 0.0720 0.0737 0.0734 0.0442 0.0652 0.0631 0.0551 0.0569 0.0522 0.0525 0.0568 0.0617 0.0568 0.0509 0.0571 0.0573 0.0601 0.0582 0.0545 0.0601 0.0558 0.0626 0.0603 0.0619 0.0287 0.0278 0.0463 0.0301 0.0411 0.0355 0.0366 0.0407 0.0418 0.0360 0.0355 0.0398 0.0489 0.0452 0.0367 0.0417 0.0380 0.0440 0.0411 0.0356 0.0425 0.0394 0.0440 0.0438 0.0380 0.0426 0.0432 0.0429 0.0426 0.0431 0.0435 0.0405 0.0421 0.0365 0.0424 0.0261 0.0410 0.0392 0.0286 0.0373 0.0458 0.0350 0.0424 0.0412 0.0345 0.0377 0.0416 0.0395 0.0354 0.0379 0.0383 0.0319 0.0472 0.0435 0.0476 0.0482 0.0517 0.0456 0.0291 0.0271 0.0323 0.0321 0.0335 0.0220 serine 0.0025 0.0024 0.0030 0.0021 0.0030 0.0033 0.0030 0.0032 0.0027 0.0039 0.0038 0.0032 0.0035 0.0046 0.0030 0.0034 0.0029 0.0035 0.0082 0.0077 0.0057 0.0070 0.0082 0.0055 0.0199 0.0084 0.0107 0.0189 0.0152 0.0126 0.0075 0.0082 0.0083 0.0073 0.0078 0.0070 0.0073 0.0078 0.0082 0.0073 0.0061 0.0085 0.0108 0.0090 0.0089 0.0077 0.0124 0.0116 0.0145 0.0131 0.0106 0.0205 0.0210 0.0255 0.0170 0.0154 0.0048 0.0030 0.0033 0.0017 0.0041 0.0032 0.0038 0.0046 0.0043 0.0030 0.0040 0.0043 0.0057 0.0049 0.0034 0.0046 0.0042 0.0050 0.0055 0.0043 0.0051 0.0059 0.0055 0.0045 0.0063 0.0054 0.0052 0.0048 0.0047 0.0022 0.0021 0.0020 0.0031 0.0023 0.0037 0.0034 0.0028 0.0033 0.0031 0.0032 0.0033 0.0029 0.0026 0.0029 0.0032 0.0024 0.0026 0.0047 0.0037 0.0041 0.0053 0.0045 0.0034 0.0016 0.0015 0.0019 0.0020 0.0017 0.0013 serotonin 0.0126 0.0117 0.0114 0.0140 0.0124 0.0114 0.0130 0.0143 0.0123 0.0141 0.0123 0.0147 0.0144 0.0122 0.0131 0.0147 0.0130 0.0137 0.0130 0.0138 0.0142 0.0158 0.0148 0.0150 0.0113 0.0118 0.0141 0.0124 0.0126 0.0104 0.0117 0.0137 0.0144 0.0139 0.0134 0.0137 0.0137 0.0129 0.0162 0.0151 0.0159 0.0143 0.0109 0.0131 0.0124 0.0140 0.0128 0.0111 0.0138 0.0126 0.0138 0.0134 0.0108 0.0110 0.0098 0.0094 0.0105 0.0130 0.0122 0.0127 0.0128 0.0119 0.0156 0.0156 0.0144 0.0138 0.0146 0.0135 0.0142 0.0133 0.0125 0.0122 0.0123 0.0134 0.0129 0.0106 0.0146 0.0131 0.0136 0.0135 0.0118 0.0122 0.0122 0.0125 0.0107 0.0142 0.0142 0.0137 0.0135 0.0117 0.0122 0.0136 0.0151 0.0134 0.0131 0.0115 0.0131 0.0146 0.0141 0.0127 0.0138 0.0134 0.0122 0.0146 0.0149 0.0145 0.0142 0.0152 0.0141 0.0084 0.0081 0.0093 0.0095 0.0092 0.0088 sorbic acid 0.0082 0.0066 0.0074 0.0073 0.0079 0.0080 0.0084 0.0092 0.0089 0.0092 0.0070 0.0084 0.0097 0.0080 0.0077 0.0085 0.0095 0.0081 0.0082 0.0098 0.0087 0.0082 0.0094 0.0091 0.0080 0.0091 0.0081 0.0076 0.0083 0.0084 0.0071 0.0108 0.0112 0.0103 0.0099 0.0094 0.0107 0.0089 0.0114 0.0096 0.0119 0.0095 0.0088 0.0073 0.0094 0.0088 0.0104 0.0091 0.0107 0.0099 0.0120 0.0094 0.0065 0.0090 0.0071 0.0081 0.0091 0.0093 0.0100 0.0099 0.0109 0.0076 0.0097 0.0107 0.0099 0.0102 0.0101 0.0101 0.0104 0.0096 0.0090 0.0084 0.0090 0.0100 0.0100 0.0078 0.0101 0.0097 0.0098 0.0092 0.0091 0.0085 0.0092 0.0089 0.0086 0.0086 0.0091 0.0089 0.0087 0.0067 0.0081 0.0097 0.0073 0.0092 0.0092 0.0087 0.0086 0.0102 0.0084 0.0076 0.0097 0.0084 0.0071 0.0094 0.0080 0.0082 0.0097 0.0098 0.0100 0.0059 0.0053 0.0062 0.0062 0.0060 0.0053 sucrose 0.1466 0.2078 0.2401 0.1970 0.1890 0.4887 0.1058 0.0769 0.1242 0.0870 0.1637 0.0833 0.2242 0.5212 0.3252 0.3195 0.1782 0.2216 0.2179 0.2622 0.1631 0.2196 0.1994 0.1472 0.0416 0.0468 0.0735 0.0485 0.0829 0.0590 1.9169 2.5787 3.5293 2.3659 2.5977 2.1757 1.6540 1.9090 1.9829 2.3036 2.2828 1.0131 0.7431 1.0194 0.7811 1.2610 0.7800 0.7731 0.7825 0.6028 0.9617 0.0380 0.0771 0.0725 0.2607 0.0745 5.5858 5.1902 5.0419 5.5093 5.1266 4.9931 3.2748 4.0963 3.7831 3.7455 3.7669 3.9349 2.4273 2.4132 2.3242 2.1158 2.1709 2.1257 1.6873 1.6231 1.7889 1.6892 1.5810 1.5990 2.1043 2.2282 2.2024 1.8330 1.9060 0.8614 0.6081 0.6646 0.8307 0.6392 1.2861 0.4353 0.2059 0.3034 0.2001 0.1829 0.3332 0.3215 0.2600 0.2047 0.2848 0.2104 0.3928 0.4025 0.3762 0.2592 0.2466 0.2107 0.2217 0.0217 0.0470 0.0252 0.0280 0.0196 0.0145 thiamine 0.0027 0.0034 0.0028 0.0028 0.0030 0.0031 0.0022 0.0032 0.0039 0.0036 0.0035 0.0037 0.0034 0.0034 0.0034 0.0038 0.0033 0.0033 0.0033 0.0034 0.0038 0.0031 0.0030 0.0035 0.0030 0.0032 0.0030 0.0032 0.0032 0.0036 0.0040 0.0044 0.0047 0.0048 0.0045 0.0018 0.0038 0.0037 0.0038 0.0039 0.0052 0.0038 0.0041 0.0040 0.0040 0.0045 0.0046 0.0046 0.0041 0.0041 0.0057 0.0027 0.0042 0.0025 0.0039 0.0028 0.0062 0.0045 0.0039 0.0043 0.0045 0.0042 0.0055 0.0051 0.0047 0.0049 0.0050 0.0047 0.0042 0.0020 0.0044 0.0042 0.0045 0.0038 0.0034 0.0034 0.0040 0.0038 0.0038 0.0039 0.0052 0.0040 0.0039 0.0034 0.0047 0.0036 0.0034 0.0033 0.0029 0.0030 0.0044 0.0033 0.0017 0.0033 0.0033 0.0032 0.0015 0.0033 0.0042 0.0028 0.0032 0.0031 0.0035 0.0036 0.0036 0.0037 0.0032 0.0038 0.0041 0.0027 0.0021 0.0022 0.0022 0.0019 0.0025 threonine/homoserine 0.0120 0.0082 0.0126 0.0084 0.0092 0.0101 0.0135 0.0131 0.0116 0.0149 0.0106 0.0124 0.0134 0.0112 0.0100 0.0103 0.0129 0.0138 0.0122 0.0176 0.0167 0.0153 0.0178 0.0176 0.0093 0.0077 0.0084 0.0101 0.0086 0.0088 0.0092 0.0146 0.0132 0.0108 0.0120 0.0102 0.0127 0.0114 0.0116 0.0115 0.0095 0.0150 0.0166 0.0156 0.0165 0.0139 0.0183 0.0160 0.0204 0.0187 0.0182 0.0076 0.0100 0.0091 0.0062 0.0103 0.0075 0.0061 0.0072 0.0089 0.0068 0.0074 0.0065 0.0099 0.0091 0.0076 0.0082 0.0078 0.0101 0.0075 0.0087 0.0097 0.0099 0.0104 0.0101 0.0078 0.0091 0.0114 0.0105 0.0109 0.0113 0.0111 0.0096 0.0098 0.0100 0.0099 0.0058 0.0088 0.0088 0.0065 0.0100 0.0103 0.0085 0.0095 0.0090 0.0089 0.0086 0.0094 0.0073 0.0080 0.0083 0.0082 0.0068 0.0117 0.0099 0.0099 0.0145 0.0118 0.0138 0.0054 0.0034 0.0053 0.0047 0.0044 0.0034 tyrosine 0.0207 0.0171 0.0218 0.0194 0.0158 0.0162 0.0204 0.0204 0.0204 0.0259 0.0173 0.0211 0.0179 0.0160 0.0136 0.0142 0.0171 0.0226 0.0208 0.0198 0.0206 0.0219 0.0232 0.0226 0.0113 0.0114 0.0148 0.0072 0.0144 0.0129 0.0244 0.0328 0.0309 0.0337 0.0304 0.0295 0.0243 0.0281 0.0324 0.0264 0.0234 0.0423 0.0371 0.0416 0.0439 0.0373 0.0348 0.0353 0.0359 0.0253 0.0427 0.0104 0.0179 0.0172 0.0105 0.0132 0.0219 0.0221 0.0150 0.0227 0.0201 0.0182 0.0215 0.0265 0.0244 0.0211 0.0234 0.0236 0.0229 0.0240 0.0234 0.0308 0.0290 0.0305 0.0281 0.0275 0.0319 0.0381 0.0270 0.0320 0.0246 0.0256 0.0256 0.0272 0.0271 0.0150 0.0109 0.0125 0.0136 0.0119 0.0137 0.0155 0.0133 0.0128 0.0132 0.0114 0.0119 0.0126 0.0093 0.0123 0.0114 0.0118 0.0053 0.0154 0.0157 0.0133 0.0214 0.0170 0.0152 0.0049 0.0055 0.0071 0.0073 0.0057 0.0058 UDP-G 0.1261 0.1217 0.1352 0.0795 0.1146 0.1797 0.1422 0.1076 0.1264 0.1312 0.1359 0.0964 0.2399 0.2522 0.2047 0.1885 0.2378 0.2402 0.3135 0.3572 0.3451 0.2697 0.3415 0.3440 0.0261 0.0200 0.0269 0.0296 0.0285 0.0287 0.2058 0.2515 0.2603 0.1448 0.2156 0.1879 0.2120 0.2532 0.2352 0.2484 0.1899 0.2562 0.2778 0.2687 0.1960 0.2712 0.3169 0.3136 0.2916 0.3294 0.3328 0.0653 0.0618 0.0509 0.0438 0.0442 0.2978 0.1996 0.2997 0.3279 0.2741 0.3015 0.2208 0.3021 0.2790 0.2975 0.2793 0.2972 0.3283 0.2489 0.2299 0.2448 0.3112 0.3145 0.3928 0.3161 0.3162 0.3616 0.3254 0.3560 0.4891 0.4603 0.4358 0.4128 0.4449 0.2584 0.1264 0.2289 0.2773 0.1829 0.2848 0.2203 0.1318 0.2216 0.1785 0.1733 0.2195 0.2483 0.1930 0.2241 0.2587 0.2183 0.2299 0.3476 0.3196 0.2582 0.3155 0.3274 0.3107 0.0081 0.0075 0.0072 0.0077 0.0097 0.0085 UDP-GlcNAc 0.1402 0.1196 0.1430 0.1085 0.1149 0.1404 0.1792 0.1520 0.1590 0.1822 0.1595 0.1539 0.1453 0.1465 0.1300 0.1316 0.1566 0.1475 0.1750 0.1798 0.1738 0.1589 0.1712 0.1735 0.0701 0.0645 0.0662 0.0801 0.0689 0.0732 0.0793 0.0972 0.0996 0.0778 0.0885 0.0904 0.0874 0.1091 0.1023 0.1024 0.0789 0.1130 0.1326 0.1262 0.1177 0.1232 0.1372 0.1396 0.1296 0.1474 0.1322 0.0236 0.0285 0.0350 0.0283 0.0332 0.0883 0.0762 0.0880 0.1022 0.0790 0.0901 0.0736 0.0893 0.0825 0.0969 0.0884 0.0996 0.0969 0.0871 0.0956 0.1032 0.1068 0.1109 0.1273 0.1150 0.1103 0.1184 0.1151 0.1113 0.1408 0.1306 0.1284 0.1133 0.1271 0.1444 0.0789 0.1331 0.1473 0.1082 0.1429 0.1458 0.1067 0.1380 0.1353 0.1248 0.1371 0.1378 0.1188 0.1312 0.1349 0.1201 0.1241 0.1593 0.1675 0.1529 0.1710 0.1686 0.1706 0.0746 0.0590 0.0710 0.0675 0.0615 0.0517 UMP 0.0168 0.0189 0.0239 0.0199 0.0161 0.0299 0.0229 0.0108 0.0255 0.0200 0.0243 0.0234 0.0299 0.0234 0.0208 0.0262 0.0219 0.0171 0.0377 0.0240 0.0268 0.0321 0.0299 0.0231 0.0160 0.0151 0.0123 0.0151 0.0156 0.0152 0.0278 0.0260 0.0298 0.0186 0.0256 0.0278 0.0166 0.0246 0.0199 0.0215 0.0216 0.0269 0.0252 0.0318 0.0179 0.0259 0.0245 0.0278 0.0219 0.0239 0.0243 0.0083 0.0104 0.0071 0.0093 0.0090 0.0236 0.0330 0.0244 0.0265 0.0238 0.0283 0.0265 0.0220 0.0203 0.0243 0.0235 0.0244 0.0192 0.0314 0.0202 0.0099 0.0208 0.0193 0.0265 0.0295 0.0329 0.0208 0.0217 0.0208 0.0353 0.0282 0.0253 0.0191 0.0302 0.0251 0.0194 0.0245 0.0205 0.0178 0.0340 0.0153 0.0191 0.0137 0.0152 0.0151 0.0265 0.0214 0.0290 0.0190 0.0140 0.0176 0.0169 0.0266 0.0382 0.0358 0.0292 0.0265 0.0320 0.0077 0.0084 0.0057 0.0053 0.0078 0.0071 valine 0.0050 0.0035 0.0037 0.0032 0.0035 0.0034 0.0053 0.0052 0.0044 0.0064 0.0034 0.0048 0.0051 0.0037 0.0035 0.0035 0.0045 0.0035 0.0037 0.0049 0.0060 0.0045 0.0049 0.0046 0.0022 0.0024 0.0030 0.0021 0.0027 0.0023 0.0018 0.0031 0.0023 0.0017 0.0022 0.0024 0.0021 0.0023 0.0030 0.0020 0.0014 0.0039 0.0043 0.0037 0.0034 0.0032 0.0042 0.0040 0.0042 0.0042 0.0045 0.0005 0.0018 0.0009 0.0006 0.0014 0.0015 0.0015 0.0016 0.0017 0.0015 0.0014 0.0021 0.0019 0.0018 0.0018 0.0020 0.0024 0.0023 0.0026 0.0023 0.0029 0.0023 0.0033 0.0034 0.0024 0.0031 0.0037 0.0026 0.0029 0.0033 0.0030 0.0027 0.0030 0.0023 0.0031 0.0017 0.0026 0.0029 0.0017 0.0023 0.0030 0.0026 0.0023 0.0028 0.0023 0.0025 0.0024 0.0023 0.0020 0.0022 0.0021 0.0018 0.0033 0.0031 0.0027 0.0035 0.0032 0.0025 0.0010 0.0008 0.0015 0.0011 0.0010 0.0007 xanthine 0.3509 0.3699 0.3323 0.3498 0.3505 0.3125 0.4218 0.3704 0.4273 0.4113 0.3757 0.4103 0.4374 0.3449 0.3797 0.3720 0.4031 0.3975 0.4327 0.3717 0.4026 0.4213 0.4034 0.4033 0.3567 0.3695 0.3759 0.3511 0.3410 0.3878 0.3019 0.2837 0.1758 0.3281 0.2724 0.3178 0.3165 0.3457 0.3463 0.3047 0.3964 0.3597 0.3860 0.3587 0.4073 0.4465 0.4040 0.3624 0.4154 0.3827 0.4552 0.4022 0.4373 0.3574 0.3842 0.3721 0.1687 0.1279 0.1617 0.1182 0.1704 0.1635 0.2783 0.1402 0.1295 0.1663 0.1728 0.1497 0.3044 0.3402 0.3516 0.3129 0.3336 0.2849 0.2829 0.2947 0.3446 0.3269 0.3110 0.3289 0.2960 0.2585 0.2519 0.2563 0.2512 0.3702 0.3255 0.3462 0.2977 0.3129 0.2761 0.3589 0.3605 0.3606 0.3830 0.3766 0.3809 0.3577 0.3150 0.3748 0.3031 0.3306 0.3416 0.3782 0.4250 0.4237 0.3944 0.4107 0.4449 0.2652 0.2563 0.2657 0.2538 0.2466 0.2594 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2-phenylglycine 3866 55484 CHEBI 150.06 adenine 190 C00147 16708 CHEBI 134.05 adenosine 60961 C00212 16335 CHEBI 266.09 ADP 6022 C00008 16761 CHEBI 426.02 ADP, Na-2H adduct C00008 16761 CHEBI 426.02 ala-glu 61565 CHEBI 217.08 benzoic acid 243 C00180 30746 CHEBI 121.03 cGMP 28181 CHEBI 344.03 deoxyinosine 28997 CHEBI 251.08 diamino-pimelic acid 865 23673 CHEBI 189.09 disaccharides (trehalose) 16551 CHEBI 341.11 fumaric acid 444972 C00122 18012 CHEBI 115.00 galactosamine 318324 28328 CHEBI 178.07 galactose 6036 C00124 28260 CHEBI 179.06 glucose 5793 C00031 17234 CHEBI 179.05 glucose-1-phosphate 65533 C11450 29042 CHEBI 259.02 glucose, Cl adduct C00031 17234 CHEBI 215.03 glutamic acid 33032 C00025 16015 CHEBI 146.05 glutamine 5961 C00064 18050 CHEBI 145.06 glutathione 124886 C00051 16856 CHEBI 306.08 inosine 6021 C00294 17596 CHEBI 267.08 L-2,3-Dihydrodipicolinate 23741 CHEBI 168.03 lysine 5962 C00047 18019 CHEBI 145.10 N-acetyl-galactosamine 35717 C01132 CHEBI 220.08 N-acetyl-glutamic acid 70914 C00624 17533 CHEBI 188.06 N-acetyl-neuraminic acid 444885 C19909 35418 CHEBI 308.11 oxoproline 7405 C01879 25801 CHEBI 128.03 PA34:1 16337 CHEBI 673.48 PA36:2 16337 CHEBI 699.50 pantothenic acid 988 C00864 7916 CHEBI 218.10 PG32:0 75195 CHEBI 721.50 PG32:1 75196 CHEBI 719.48 PG33:1 CHEBI 733.50 PG34:0 CHEBI 749.52 PG34:1 CHEBI 747.51 PG34:2 CHEBI 745.50 PG35:2 CHEBI 759.51 PG36:0 CHEBI 777.54 PG36:2 75200 CHEBI 773.53 PG36:3 CHEBI 771.51 PG37:2 CHEBI 787.54 PG38:2 CHEBI 801.54 phenylalanine 6140 C00079 17295 CHEBI 164.07 pyroglutamic acid 7405 C01879 18183 CHEBI 128.04 serine 5951 C00065 17115 CHEBI 104.04 serotonin 5202 C00780 28790 CHEBI 175.09 sorbic acid 643460 35962 CHEBI 111.05 sucrose 5988 C00089 17992 CHEBI 341.11 thiamine 1130 C00378 18385 CHEBI 263.10 threonine/homoserine 16857;15699 CHEBI 118.05 tyrosine 6057 C00082 17895 CHEBI 180.07 UDP-G 18066 CHEBI 565.05 UDP-GlcNAc 445675 C00043 16264 CHEBI 606.07 UMP 6030 C00105 16695 CHEBI 323.03 valine 6287 C00183 16414 CHEBI 116.07 xanthine 1188 C00385 15318 CHEBI 283.07 METABOLITES_END #END