#METABOLOMICS WORKBENCH Guanningzi_20141113_9088871_mwtab.txt DATATRACK_ID:179 STUDY_ID:ST000116 ANALYSIS_ID:AN000197 PROJECT_ID:PR000105 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Comparative metabolomics analysis of the key metabolic nodes in propionic acid PR:PROJECT_TITLE in Propionibacterium acidipropionici PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY - PR:INSTITUTE Jiangnan University PR:DEPARTMENT Key Laboratory of Carbohydrate Chemistry and Biotechnology PR:LAST_NAME Guan PR:FIRST_NAME Ningzi PR:ADDRESS 1800 Lihu Ave, Binhu, Wuxi, Jiangsu, China PR:EMAIL caimo-zi@163.com PR:PHONE - #STUDY ST:STUDY_TITLE Comparative metabolomics analysis of the key metabolic nodes in propionic acid ST:STUDY_TITLE in Propionibacterium acidipropionici ST:STUDY_TYPE strains comparison ST:STUDY_SUMMARY The parental P. acidipropionici and its genome-shuffled mutant were compared ST:STUDY_SUMMARY metabolomics to find the key metabolic nodes influencing PA production. ST:INSTITUTE Jiangnan University ST:DEPARTMENT Key Laboratory of Carbohydrate Chemistry and Biotechnology ST:LAST_NAME Guan ST:FIRST_NAME Ningzi ST:ADDRESS 1800 Lihu Ave, Binhu, Wuxi, Jiangsu, China ST:EMAIL caimo-zi@163.com ST:PHONE - #SUBJECT SU:SUBJECT_TYPE Cells SU:SUBJECT_SPECIES Acidipropionibacterium acidipropionici SU:TAXONOMY_ID GCMCC1.2230 | WSH1105 SU:GENOTYPE_STRAIN wild type mutant 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 - Late exponential phase-P1 Growth phase:Late exponential phase SUBJECT_SAMPLE_FACTORS - Late exponential phase-P2 Growth phase:Late exponential phase SUBJECT_SAMPLE_FACTORS - Late exponential phase-P3 Growth phase:Late exponential phase SUBJECT_SAMPLE_FACTORS - Late exponential phase-S1 Growth phase:Late exponential phase SUBJECT_SAMPLE_FACTORS - Late exponential phase-S2 Growth phase:Late exponential phase SUBJECT_SAMPLE_FACTORS - Late exponential phase-S3 Growth phase:Late exponential phase SUBJECT_SAMPLE_FACTORS - Middle exponential phase-P1 Growth phase:Middle exponential phase SUBJECT_SAMPLE_FACTORS - Middle exponential phase-P2 Growth phase:Middle exponential phase SUBJECT_SAMPLE_FACTORS - Middle exponential phase-P3 Growth phase:Middle exponential phase SUBJECT_SAMPLE_FACTORS - Middle exponential phase-S1 Growth phase:Middle exponential phase SUBJECT_SAMPLE_FACTORS - Middle exponential phase-S2 Growth phase:Middle exponential phase SUBJECT_SAMPLE_FACTORS - Middle exponential phase-S3 Growth phase:Middle exponential phase SUBJECT_SAMPLE_FACTORS - Stationary phase-P1 Growth phase:Stationary phase SUBJECT_SAMPLE_FACTORS - Stationary phase-P2 Growth phase:Stationary phase SUBJECT_SAMPLE_FACTORS - Stationary phase-P3 Growth phase:Stationary phase SUBJECT_SAMPLE_FACTORS - Stationary phase-S1 Growth phase:Stationary phase SUBJECT_SAMPLE_FACTORS - Stationary phase-S2 Growth phase:Stationary phase SUBJECT_SAMPLE_FACTORS - Stationary phase-S3 Growth phase:Stationary phase #COLLECTION CO:COLLECTION_SUMMARY The cells were quenched by immediately adding a threefold volume of pre-chilled CO:COLLECTION_SUMMARY (v/v) methanol solution containing 70 mM 4-(2-hydroxyethyl)-1-piperazine CO:COLLECTION_SUMMARY acid, and pelleted in a centrifuge (4,000 × g, ?4°C, 10 min) CO:COLLECTION_PROTOCOL_FILENAME Protocol_Methods-G.docx CO:SAMPLE_TYPE cell CO:COLLECTION_TIME Samples were collected at the middle exponential phase, late exponential phase, CO:COLLECTION_TIME the end of fermentation CO:STORAGE_CONDITIONS -80°C CO:COLLECTION_VIALS 50mL centrifuge tube CO:STORAGE_VIALS 50mL centrifuge tube CO:COLLECTION_TUBE_TEMP pre-chilled at -80°C CO:ADDITIVES pre-chilled 60% (v/v) methanol solution containing 70 mM CO:ADDITIVES ethanesulphonic acid #TREATMENT TR:TREATMENT_SUMMARY - TR:CELL_STORAGE -80°C TR:CELL_GROWTH_CONTAINER 250 mL anaerobic jars TR:CELL_INOC_PROC inoculated at 1% TR:CELL_MEDIA 10 g/L yeast extract, 5 g/L tryptic soy broth, 1.5 g/L KH2PO4, 2.5 g/L K2HPO4 TR:CELL_ENVIR_COND incubated at 32°C, anaerobic #SAMPLEPREP SP:SAMPLEPREP_SUMMARY After quenching at 40°C, the cells were pelleted in a centrifuge (4,000 × SP:SAMPLEPREP_SUMMARY ?4°C, 10 min). The pellets were washed with methanol solution and resuspended SP:SAMPLEPREP_SUMMARY 1 mL 35% perchloric acid to extract the metabolites from the cells. The mixture SP:SAMPLEPREP_SUMMARY frozen in liquid nitrogen and thawed three times. The supernatant was SP:SAMPLEPREP_SUMMARY by adding K2CO3 solution with an initial concentration of 5 M, and an extract SP:SAMPLEPREP_SUMMARY all metabolites was collected via centrifugation at 10,000 × g for 5 min at SP:PROCESSING_METHOD Homogenization and solvent removal SP:PROCESSING_STORAGE_CONDITIONS on ice SP:EXTRACTION_METHOD 35% perchloric acid and 5 M K2CO3 SP:EXTRACT_STORAGE -80°C SP:CELL_TYPE wildtype cells, genome shffled cells #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC-MS CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME LCMS-IT-TOF CH:COLUMN_NAME Shim-Pack VP-ODS 150 L 2.0 CH:COLUMN_PRESSURE 18 MPa CH:COLUMN_TEMPERATURE 40C CH:FLOW_GRADIENT 2% to 60% B for 15 min, 60% to 76% B for 15 min, and 76% to 2% B for 5 min (A:1 CH:FLOW_GRADIENT ammonium formate; B: 80% methanol (v/v) containing 1 mM ammonium formate) CH:FLOW_RATE 0.2 mL/min CH:RETENTION_TIME 35 min CH:SAMPLE_INJECTION 10 ?L CH:SOLVENT_A 1 mM ammonium formate CH:SOLVENT_B 80% methanol (v/v) containing 1 mM ammonium formate #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Key Laboratory of Industrial Biotechnology AN:ACQUISITION_PARAMETERS_FILE Protocol_Methods-G.docx AN:SOFTWARE_VERSION LCMSsolution AN:DETECTOR_TYPE UV #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Shimadzu LCMS-IT-TOF MS:INSTRUMENT_TYPE IT-TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE/NEGATIVE MS:COLLISION_ENERGY 0.4 MS:COLLISION_GAS N2 MS:DRY_GAS_FLOW 1.5 L/min MS:DRY_GAS_TEMP 350°C MS:MASS_ACCURACY 5ppm #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples Late exponential phase-P1 Late exponential phase-P2 Late exponential phase-P3 Late exponential phase-S1 Late exponential phase-S2 Late exponential phase-S3 Middle exponential phase-P1 Middle exponential phase-P2 Middle exponential phase-P3 Middle exponential phase-S1 Middle exponential phase-S2 Middle exponential phase-S3 Stationary phase-P1 Stationary phase-P2 Stationary phase-P3 Stationary phase-S1 Stationary phase-S2 Stationary phase-S3 Factors Growth phase:Late exponential phase Growth phase:Late exponential phase Growth phase:Late exponential phase Growth phase:Late exponential phase Growth phase:Late exponential phase Growth phase:Late exponential phase Growth phase:Middle exponential phase Growth phase:Middle exponential phase Growth phase:Middle exponential phase Growth phase:Middle exponential phase Growth phase:Middle exponential phase Growth phase:Middle exponential phase Growth phase:Stationary phase Growth phase:Stationary phase Growth phase:Stationary phase Growth phase:Stationary phase Growth phase:Stationary phase Growth phase:Stationary phase 1-Aminocyclopropane-1-carboxylate 24000000.0000 22000000.0000 23000000.0000 21000000.0000 19000000.0000 22000000.0000 90000000.0000 96000000.0000 92000000.0000 60000000.0000 61000000.0000 63000000.0000 40000000.0000 44000000.0000 40000000.0000 17000000.0000 21000000.0000 19000000.0000 2_6-Diaminoheptanedioate 4000000.0000 3900000.0000 4100000.0000 3200000.0000 3500000.0000 3000000.0000 2700000.0000 3100000.0000 2200000.0000 17000000.0000 11000000.0000 11000000.0000 4300000.0000 4900000.0000 4300000.0000 2200000.0000 2500000.0000 2100000.0000 2-Aminomuconate 2400000.0000 2200000.0000 2200000.0000 1000000.0000 1000000.0000 1300000.0000 1200000.0000 1400000.0000 1500000.0000 1800000.0000 2300000.0000 2200000.0000 2200000.0000 2200000.0000 2100000.0000 2300000.0000 2200000.0000 2400000.0000 2-Aminophenol 3600000.0000 3600000.0000 3500000.0000 5100000.0000 5300000.0000 5000000.0000 1500000.0000 1700000.0000 1400000.0000 4700000.0000 4300000.0000 4700000.0000 2300000.0000 2000000.0000 2300000.0000 4900000.0000 4700000.0000 4700000.0000 2-Deoxy-ribose 3400000.0000 5400000.0000 2600000.0000 16000000.0000 31000000.0000 15000000.0000 12000000.0000 9000000.0000 11000000.0000 12000000.0000 11000000.0000 12000000.0000 27000000.0000 25000000.0000 27000000.0000 8800000.0000 8600000.0000 8900000.0000 2-Oxoadipate 19000000.0000 20000000.0000 20000000.0000 48000000.0000 47000000.0000 45000000.0000 3400000.0000 1600000.0000 2700000.0000 14000000.0000 13000000.0000 11000000.0000 50000000.0000 55000000.0000 52000000.0000 30000000.0000 44000000.0000 41000000.0000 2-Oxobutanoate 700000.0000 710000.0000 700000.0000 510000.0000 530000.0000 560000.0000 770000.0000 680000.0000 510000.0000 1200000.0000 1100000.0000 1100000.0000 1200000.0000 1100000.0000 1400000.0000 1000000.0000 1000000.0000 1300000.0000 2-Oxoglutarate 2200000.0000 2400000.0000 2200000.0000 3700000.0000 3400000.0000 3600000.0000 680000.0000 670000.0000 710000.0000 2500000.0000 2300000.0000 2100000.0000 3000000.0000 2900000.0000 2700000.0000 3200000.0000 3600000.0000 3500000.0000 3-Phospho-glycerate 570000.0000 700000.0000 770000.0000 8300000.0000 7500000.0000 6100000.0000 720000.0000 710000.0000 770000.0000 1700000.0000 980000.0000 1700000.0000 2500000.0000 1700000.0000 2100000.0000 1400000.0000 1700000.0000 1500000.0000 3-Phospho-glyceroyl phosphate 34000000.0000 35000000.0000 32000000.0000 3800000.0000 3400000.0000 3800000.0000 75000000.0000 74000000.0000 67000000.0000 3100000.0000 3800000.0000 2300000.0000 22000000.0000 24000000.0000 25000000.0000 18000000.0000 17000000.0000 17000000.0000 4-Aminobutyraldehyde 46000000.0000 44000000.0000 46000000.0000 38000000.0000 38000000.0000 36000000.0000 28000000.0000 27000000.0000 28000000.0000 21000000.0000 22000000.0000 19000000.0000 57000000.0000 55000000.0000 58000000.0000 48000000.0000 46000000.0000 48000000.0000 4-Hydroxybenzoate 13000000.0000 9600000.0000 8300000.0000 40000000.0000 38000000.0000 37000000.0000 40000000.0000 43000000.0000 36000000.0000 40000000.0000 46000000.0000 51000000.0000 3200000.0000 2200000.0000 3000000.0000 29000000.0000 17000000.0000 14000000.0000 5_6-Dihydrouracil 780000.0000 790000.0000 780000.0000 2000000.0000 1900000.0000 2000000.0000 730000.0000 710000.0000 730000.0000 1100000.0000 1200000.0000 1200000.0000 730000.0000 750000.0000 750000.0000 2100000.0000 2300000.0000 2100000.0000 5-Aminoimidazole 13000000.0000 13000000.0000 9000000.0000 13000000.0000 17000000.0000 16000000.0000 1200000.0000 2100000.0000 1400000.0000 8900000.0000 5100000.0000 7200000.0000 9900000.0000 12000000.0000 7200000.0000 9900000.0000 8900000.0000 11000000.0000 5-Hydroxy-tryptophan 3200000.0000 3000000.0000 3600000.0000 9000000.0000 9200000.0000 7300000.0000 45000000.0000 49000000.0000 60000000.0000 9700000.0000 17000000.0000 17000000.0000 26000000.0000 31000000.0000 25000000.0000 83000000.0000 78000000.0000 75000000.0000 5^-Methylthioadenosine 9100000.0000 13000000.0000 14000000.0000 8300000.0000 6600000.0000 8300000.0000 4200000.0000 1700000.0000 2700000.0000 11000000.0000 17000000.0000 16000000.0000 21000000.0000 22000000.0000 19000000.0000 14000000.0000 11000000.0000 11000000.0000 5-Phosphoribosylamine 1200000.0000 1500000.0000 1200000.0000 1800000.0000 1600000.0000 1900000.0000 780000.0000 790000.0000 790000.0000 1200000.0000 990000.0000 1000000.0000 870000.0000 860000.0000 860000.0000 1600000.0000 1900000.0000 1800000.0000 6-Phospho-gluconate 16000000.0000 13000000.0000 13000000.0000 7500000.0000 7300000.0000 7400000.0000 9500000.0000 9500000.0000 9700000.0000 5400000.0000 5300000.0000 5300000.0000 29000000.0000 34000000.0000 29000000.0000 3300000.0000 3400000.0000 3700000.0000 7_8-Diaminononanoate 2200000.0000 2000000.0000 1700000.0000 980000.0000 1100000.0000 1200000.0000 4400000.0000 4700000.0000 4500000.0000 76000000.0000 74000000.0000 80000000.0000 79000000.0000 75000000.0000 72000000.0000 45000000.0000 56000000.0000 49000000.0000 Acetate 18000000.0000 22000000.0000 18000000.0000 19000000.0000 11000000.0000 8400000.0000 11000000.0000 15000000.0000 13000000.0000 5400000.0000 6000000.0000 6700000.0000 34000000.0000 32000000.0000 22000000.0000 15000000.0000 26000000.0000 12000000.0000 Acetyl phosphate 1300000.0000 1600000.0000 1200000.0000 920000.0000 930000.0000 930000.0000 2300000.0000 2300000.0000 2100000.0000 810000.0000 810000.0000 840000.0000 1600000.0000 1800000.0000 1900000.0000 1200000.0000 1300000.0000 1200000.0000 Acrylamide 16000000.0000 14000000.0000 11000000.0000 1500000.0000 1700000.0000 1600000.0000 11000000.0000 13000000.0000 15000000.0000 18000000.0000 14000000.0000 8500000.0000 24000000.0000 32000000.0000 26000000.0000 15000000.0000 16000000.0000 9000000.0000 Acrylate 810000.0000 820000.0000 810000.0000 1100000.0000 1100000.0000 1300000.0000 430000.0000 410000.0000 440000.0000 590000.0000 590000.0000 610000.0000 1100000.0000 1100000.0000 980000.0000 1600000.0000 1500000.0000 1600000.0000 Acrylonitrile 1400000.0000 1600000.0000 1600000.0000 1200000.0000 1100000.0000 1100000.0000 900000.0000 880000.0000 880000.0000 1200000.0000 1300000.0000 1300000.0000 1400000.0000 1400000.0000 1400000.0000 2100000.0000 2100000.0000 2200000.0000 Adenine 230000000.0000 250000000.0000 230000000.0000 2900000.0000 3400000.0000 3200000.0000 1200000.0000 1400000.0000 1400000.0000 1400000.0000 1600000.0000 1400000.0000 2300000.0000 2800000.0000 2400000.0000 2800000.0000 2400000.0000 2900000.0000 Adenosine 740000.0000 780000.0000 780000.0000 940000.0000 930000.0000 930000.0000 610000.0000 650000.0000 630000.0000 650000.0000 670000.0000 680000.0000 830000.0000 860000.0000 850000.0000 970000.0000 990000.0000 970000.0000 Adenylylselenate 910000.0000 890000.0000 910000.0000 2200000.0000 2100000.0000 2200000.0000 650000.0000 680000.0000 650000.0000 890000.0000 850000.0000 870000.0000 1500000.0000 1400000.0000 1700000.0000 3100000.0000 2900000.0000 2900000.0000 ADP 680000.0000 660000.0000 660000.0000 750000.0000 720000.0000 740000.0000 430000.0000 430000.0000 450000.0000 520000.0000 510000.0000 530000.0000 610000.0000 610000.0000 590000.0000 960000.0000 930000.0000 950000.0000 Agmatine 6200000.0000 5600000.0000 6100000.0000 1300000.0000 1800000.0000 1500000.0000 5600000.0000 5700000.0000 5500000.0000 1200000.0000 1400000.0000 1400000.0000 9900000.0000 9800000.0000 13000000.0000 5400000.0000 5400000.0000 5900000.0000 Alanine 26000000.0000 43000000.0000 26000000.0000 12000000.0000 11000000.0000 19000000.0000 16000000.0000 14000000.0000 17000000.0000 44000000.0000 40000000.0000 51000000.0000 41000000.0000 240000000.0000 35000000.0000 43000000.0000 79000000.0000 34000000.0000 Aminoacetone 13000000.0000 15000000.0000 15000000.0000 21000000.0000 23000000.0000 21000000.0000 6700000.0000 6400000.0000 6600000.0000 7300000.0000 7300000.0000 7100000.0000 20000000.0000 21000000.0000 19000000.0000 27000000.0000 27000000.0000 29000000.0000 AMP 1600000.0000 1800000.0000 1600000.0000 4800000.0000 4600000.0000 4800000.0000 460000.0000 480000.0000 490000.0000 650000.0000 670000.0000 690000.0000 1900000.0000 1900000.0000 1600000.0000 3500000.0000 3200000.0000 3400000.0000 Anthranilate 1500000.0000 1300000.0000 1500000.0000 1800000.0000 1600000.0000 1800000.0000 570000.0000 580000.0000 570000.0000 750000.0000 770000.0000 750000.0000 2200000.0000 2400000.0000 2400000.0000 3100000.0000 3000000.0000 3400000.0000 Arginine 55000000.0000 51000000.0000 53000000.0000 110000000.0000 130000000.0000 120000000.0000 14000000.0000 17000000.0000 13000000.0000 20000000.0000 23000000.0000 19000000.0000 870000.0000 860000.0000 890000.0000 580000.0000 510000.0000 590000.0000 Arogenate 990000.0000 970000.0000 1200000.0000 25000000.0000 23000000.0000 24000000.0000 830000.0000 830000.0000 850000.0000 12000000.0000 11000000.0000 11000000.0000 1900000.0000 2100000.0000 1900000.0000 32000000.0000 33000000.0000 34000000.0000 Aspartate 5300000.0000 6400000.0000 7000000.0000 9100000.0000 13000000.0000 14000000.0000 6200000.0000 5900000.0000 6800000.0000 18000000.0000 17000000.0000 18000000.0000 800000.0000 820000.0000 790000.0000 790000.0000 770000.0000 830000.0000 ATP 2600000.0000 2400000.0000 2600000.0000 4500000.0000 4500000.0000 4300000.0000 530000.0000 560000.0000 550000.0000 890000.0000 910000.0000 920000.0000 1600000.0000 1700000.0000 1600000.0000 2400000.0000 2700000.0000 2600000.0000 Barbiturate 1400000.0000 1400000.0000 1300000.0000 2100000.0000 2500000.0000 2100000.0000 680000.0000 660000.0000 660000.0000 960000.0000 980000.0000 960000.0000 1200000.0000 1100000.0000 1100000.0000 1700000.0000 1400000.0000 1300000.0000 Benzoate 1900000.0000 1700000.0000 1900000.0000 5200000.0000 5500000.0000 5400000.0000 1900000.0000 2000000.0000 1800000.0000 2000000.0000 2200000.0000 2200000.0000 1900000.0000 1800000.0000 2100000.0000 6300000.0000 6300000.0000 6500000.0000 beta-Alanyl arginine 1600000.0000 1900000.0000 1800000.0000 1500000.0000 1500000.0000 1600000.0000 1000000.0000 990000.0000 980000.0000 890000.0000 890000.0000 870000.0000 1600000.0000 1400000.0000 1600000.0000 1600000.0000 1500000.0000 1400000.0000 Biotin 9900000.0000 12000000.0000 11000000.0000 4700000.0000 5100000.0000 5000000.0000 7500000.0000 6900000.0000 8400000.0000 10000000.0000 13000000.0000 11000000.0000 35000000.0000 32000000.0000 32000000.0000 9300000.0000 9300000.0000 9400000.0000 Carnitine 1600000.0000 1700000.0000 1400000.0000 3100000.0000 2900000.0000 2800000.0000 1100000.0000 1100000.0000 1000000.0000 920000.0000 940000.0000 950000.0000 1500000.0000 1700000.0000 1500000.0000 2600000.0000 2800000.0000 2900000.0000 Catechol 4800000.0000 5100000.0000 4900000.0000 14000000.0000 14000000.0000 11000000.0000 4300000.0000 4200000.0000 4300000.0000 10000000.0000 13000000.0000 10000000.0000 6700000.0000 6300000.0000 6800000.0000 25000000.0000 25000000.0000 23000000.0000 CDP 2400000.0000 1800000.0000 2200000.0000 2400000.0000 2700000.0000 2700000.0000 670000.0000 770000.0000 760000.0000 1100000.0000 1700000.0000 1200000.0000 1700000.0000 2200000.0000 2300000.0000 1300000.0000 940000.0000 1400000.0000 CDP-glucose 5000000.0000 5200000.0000 5000000.0000 3100000.0000 3300000.0000 3000000.0000 2900000.0000 2800000.0000 2600000.0000 2500000.0000 2300000.0000 2500000.0000 4200000.0000 4000000.0000 4600000.0000 1800000.0000 1300000.0000 1400000.0000 Chitobiose 2000000.0000 1700000.0000 1900000.0000 6900000.0000 7000000.0000 7000000.0000 1000000.0000 1300000.0000 1100000.0000 6300000.0000 6400000.0000 6000000.0000 1300000.0000 1000000.0000 1100000.0000 5300000.0000 5500000.0000 5500000.0000 Choline 15000000.0000 15000000.0000 11000000.0000 2300000.0000 5400000.0000 4300000.0000 11000000.0000 13000000.0000 15000000.0000 5800000.0000 4700000.0000 5500000.0000 14000000.0000 9600000.0000 10000000.0000 6400000.0000 7300000.0000 3500000.0000 Chorismate 2500000.0000 2300000.0000 2300000.0000 1600000.0000 18000000.0000 1900000.0000 1700000.0000 1900000.0000 1800000.0000 1500000.0000 1600000.0000 1400000.0000 3700000.0000 3500000.0000 3400000.0000 2200000.0000 2400000.0000 2200000.0000 Citrate 170000000.0000 140000000.0000 110000000.0000 130000000.0000 170000000.0000 150000000.0000 43000000.0000 66000000.0000 43000000.0000 210000000.0000 180000000.0000 200000000.0000 200000000.0000 140000000.0000 170000000.0000 190000000.0000 170000000.0000 210000000.0000 Citrulline 8000000.0000 8200000.0000 7700000.0000 3600000.0000 3700000.0000 4200000.0000 9000000.0000 9200000.0000 8700000.0000 1200000.0000 1600000.0000 1300000.0000 990000.0000 1000000.0000 950000.0000 910000.0000 900000.0000 910000.0000 CMP 2700000.0000 2900000.0000 2700000.0000 4200000.0000 4300000.0000 45000000.0000 730000.0000 710000.0000 740000.0000 1500000.0000 1300000.0000 1600000.0000 3100000.0000 2900000.0000 3200000.0000 4900000.0000 5300000.0000 5600000.0000 CTP 2400000.0000 3700000.0000 3200000.0000 9900000.0000 7400000.0000 11000000.0000 1300000.0000 1200000.0000 1300000.0000 10000000.0000 9300000.0000 8800000.0000 20000000.0000 9600000.0000 14000000.0000 4300000.0000 5200000.0000 2400000.0000 Cystathionine 13000000.0000 12000000.0000 12000000.0000 7300000.0000 7200000.0000 6800000.0000 13000000.0000 14000000.0000 13000000.0000 14000000.0000 12000000.0000 12000000.0000 12000000.0000 11000000.0000 12000000.0000 27000000.0000 25000000.0000 24000000.0000 Cysteine 36000000.0000 33000000.0000 35000000.0000 19000000.0000 17000000.0000 17000000.0000 12000000.0000 11000000.0000 14000000.0000 9300000.0000 9200000.0000 9000000.0000 24000000.0000 22000000.0000 21000000.0000 12000000.0000 11000000.0000 13000000.0000 Cytidine 20000000.0000 21000000.0000 23000000.0000 16000000.0000 17000000.0000 14000000.0000 7700000.0000 5600000.0000 8900000.0000 28000000.0000 26000000.0000 33000000.0000 24000000.0000 27000000.0000 23000000.0000 12000000.0000 15000000.0000 14000000.0000 Cytosine 1100000.0000 1200000.0000 1200000.0000 1200000.0000 1100000.0000 1200000.0000 930000.0000 940000.0000 940000.0000 890000.0000 870000.0000 860000.0000 1500000.0000 1400000.0000 1500000.0000 2400000.0000 2600000.0000 2300000.0000 dADP 1600000.0000 1500000.0000 1600000.0000 2000000.0000 2300000.0000 2.3600 680000.0000 670000.0000 700000.0000 890000.0000 890000.0000 870000.0000 720000.0000 740000.0000 710000.0000 2200000.0000 1800000.0000 2100000.0000 dATP 970000.0000 960000.0000 960000.0000 1100000.0000 1200000.0000 1000000.0000 790000.0000 760000.0000 780000.0000 720000.0000 730000.0000 710000.0000 830000.0000 850000.0000 860000.0000 1500000.0000 1700000.0000 1600000.0000 dCDP 1500000.0000 1300000.0000 1600000.0000 3500000.0000 3400000.0000 3200000.0000 730000.0000 720000.0000 740000.0000 1300000.0000 1200000.0000 1300000.0000 740000.0000 700000.0000 700000.0000 3900000.0000 3900000.0000 3700000.0000 Deoxyadenosine 4100000.0000 4300000.0000 4200000.0000 2300000.0000 2100000.0000 2100000.0000 1500000.0000 1700000.0000 1600000.0000 1200000.0000 1000000.0000 1100000.0000 8900000.0000 9300000.0000 9000000.0000 2700000.0000 2700000.0000 2900000.0000 Deoxycytidine 12000000.0000 14000000.0000 14000000.0000 5300000.0000 5000000.0000 5400000.0000 5300000.0000 5200000.0000 5200000.0000 2500000.0000 2700000.0000 2500000.0000 14000000.0000 13000000.0000 13000000.0000 5500000.0000 5700000.0000 5700000.0000 dIDP 2200000.0000 2400000.0000 2000000.0000 17000000.0000 17000000.0000 19000000.0000 1000000.0000 1100000.0000 1000000.0000 2400000.0000 2600000.0000 2700000.0000 1000000.0000 1000000.0000 1200000.0000 5000000.0000 5100000.0000 5300000.0000 Dihydroorotate 5000000.0000 5200000.0000 5100000.0000 1900000.0000 2100000.0000 1800000.0000 3000000.0000 3200000.0000 2900000.0000 860000.0000 890000.0000 870000.0000 5200000.0000 5200000.0000 5700000.0000 1700000.0000 2000000.0000 1700000.0000 dTMP 1300000.0000 1400000.0000 1500000.0000 3100000.0000 2900000.0000 2900000.0000 970000.0000 950000.0000 940000.0000 730000.0000 750000.0000 730000.0000 670000.0000 660000.0000 680000.0000 880000.0000 890000.0000 910000.0000 dUMP 27000000.0000 30000000.0000 29000000.0000 6900000.0000 7100000.0000 7300000.0000 2800000.0000 3000000.0000 3000000.0000 43000000.0000 43000000.0000 45000000.0000 15000000.0000 15000000.0000 14000000.0000 4200000.0000 4100000.0000 4500000.0000 Erythrose 4-Phosphate 52000000.0000 51000000.0000 52000000.0000 84000000.0000 87000000.0000 88000000.0000 49000000.0000 51000000.0000 49000000.0000 99000000.0000 96000000.0000 98000000.0000 95000000.0000 92000000.0000 97000000.0000 11000000.0000 14000000.0000 15000000.0000 FAD 790000.0000 770000.0000 770000.0000 630000.0000 640000.0000 630000.0000 750000.0000 750000.0000 730000.0000 520000.0000 530000.0000 520000.0000 520000.0000 530000.0000 550000.0000 410000.0000 420000.0000 420000.0000 FMN 1100000.0000 1100000.0000 1000000.0000 2500000.0000 2400000.0000 2600000.0000 740000.0000 740000.0000 760000.0000 910000.0000 920000.0000 940000.0000 1500000.0000 1600000.0000 1600000.0000 2300000.0000 2300000.0000 2200000.0000 Fructose 1_6-bisphosphate 1700000.0000 1700000.0000 1500000.0000 1000000.0000 1200000.0000 1000000.0000 37000000.0000 29000000.0000 32000000.0000 38000000.0000 51000000.0000 57000000.0000 1700000.0000 2100000.0000 1900000.0000 9900000.0000 9000000.0000 11000000.0000 Fructose 6-phosphate 13000000.0000 10000000.0000 9500000.0000 19000000.0000 15000000.0000 18000000.0000 10000000.0000 11000000.0000 8900000.0000 19000000.0000 16000000.0000 17000000.0000 5500000.0000 5100000.0000 5900000.0000 5000000.0000 4700000.0000 4800000.0000 Fumarate 47000000.0000 47000000.0000 48000000.0000 67000000.0000 78000000.0000 71000000.0000 40000000.0000 39000000.0000 36000000.0000 79000000.0000 74000000.0000 83000000.0000 100000000.0000 85000000.0000 93000000.0000 120000000.0000 130000000.0000 100000000.0000 GABA 11000000.0000 6800000.0000 7600000.0000 3600000.0000 4900000.0000 4600000.0000 82000000.0000 74000000.0000 79000000.0000 15000000.0000 18000000.0000 17000000.0000 5100000.0000 6400000.0000 6200000.0000 4700000.0000 5400000.0000 5000000.0000 Geranylgeranyl diphosphate 4500000.0000 4000000.0000 4400000.0000 2300000.0000 1800000.0000 2300000.0000 3300000.0000 3500000.0000 3300000.0000 1900000.0000 1800000.0000 1800000.0000 5000000.0000 4400000.0000 4700000.0000 4500000.0000 4300000.0000 4400000.0000 Glucarate 45000000.0000 41000000.0000 42000000.0000 34000000.0000 35000000.0000 33000000.0000 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26000000.0000 26000000.0000 28000000.0000 27000000.0000 29000000.0000 N-Acetyl-glucosamine 1800000.0000 2000000.0000 2200000.0000 920000.0000 800000.0000 890000.0000 880000.0000 860000.0000 860000.0000 790000.0000 760000.0000 770000.0000 2500000.0000 2500000.0000 2700000.0000 1100000.0000 1200000.0000 1100000.0000 N-Acetyl-glutamate 26000000.0000 30000000.0000 23000000.0000 59000000.0000 62000000.0000 61000000.0000 18000000.0000 15000000.0000 17000000.0000 35000000.0000 34000000.0000 34000000.0000 56000000.0000 58000000.0000 56000000.0000 77000000.0000 77000000.0000 78000000.0000 Nicotinamide 10000000.0000 10000000.0000 9900000.0000 39000000.0000 37000000.0000 37000000.0000 5300000.0000 5500000.0000 5500000.0000 26000000.0000 28000000.0000 28000000.0000 13000000.0000 15000000.0000 14000000.0000 55000000.0000 53000000.0000 55000000.0000 Nicotinamide ribonucleotide 8700000.0000 8900000.0000 8700000.0000 1600000.0000 1800000.0000 1500000.0000 6100000.0000 6200000.0000 6100000.0000 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S-Adenosyl-homocysteine 840000.0000 830000.0000 830000.0000 1300000.0000 1200000.0000 1200000.0000 680000.0000 650000.0000 660000.0000 720000.0000 700000.0000 730000.0000 850000.0000 870000.0000 880000.0000 2500000.0000 2400000.0000 2500000.0000 S-Adenosyl-methionine 12000000.0000 14000000.0000 15000000.0000 2100000.0000 2200000.0000 2200000.0000 2200000.0000 1900000.0000 2200000.0000 19000000.0000 19000000.0000 17000000.0000 13000000.0000 15000000.0000 14000000.0000 2200000.0000 2500000.0000 2300000.0000 Sedoheptulose 1_7-bisphosphate 11000000.0000 10000000.0000 10000000.0000 24000000.0000 26000000.0000 24000000.0000 4300000.0000 4600000.0000 4000000.0000 19000000.0000 12000000.0000 12000000.0000 25000000.0000 28000000.0000 24000000.0000 67000000.0000 66000000.0000 63000000.0000 Serine 12000000.0000 9500000.0000 19000000.0000 1900000.0000 1400000.0000 1700000.0000 14000000.0000 12000000.0000 13000000.0000 3800000.0000 3500000.0000 3800000.0000 2100000.0000 3400000.0000 3500000.0000 4400000.0000 3300000.0000 2600000.0000 sn-Glycerol 3-phosphate 32000000.0000 31000000.0000 32000000.0000 12000000.0000 11000000.0000 12000000.0000 9900000.0000 9600000.0000 10000000.0000 36000000.0000 34000000.0000 36000000.0000 8200000.0000 8500000.0000 8400000.0000 22000000.0000 22000000.0000 21000000.0000 Succinate 1500000.0000 1600000.0000 2000000.0000 6500000.0000 6400000.0000 5700000.0000 1100000.0000 1100000.0000 850000.0000 1400000.0000 990000.0000 1100000.0000 6700000.0000 6400000.0000 6000000.0000 3700000.0000 3800000.0000 3800000.0000 Tetrahydrofolate 1600000.0000 2200000.0000 1900000.0000 13000000.0000 12000000.0000 15000000.0000 1000000.0000 1000000.0000 980000.0000 1300000.0000 1400000.0000 1300000.0000 3600000.0000 3600000.0000 3600000.0000 6300000.0000 6700000.0000 6600000.0000 Thiamin diphosphate 11000000.0000 10000000.0000 9700000.0000 6200000.0000 4500000.0000 4600000.0000 6800000.0000 6900000.0000 6600000.0000 990000.0000 1400000.0000 1100000.0000 18000000.0000 18000000.0000 17000000.0000 8200000.0000 8400000.0000 8400000.0000 Threonine 13000000.0000 13000000.0000 15000000.0000 5700000.0000 6100000.0000 5900000.0000 2700000.0000 2300000.0000 2700000.0000 9000000.0000 19000000.0000 17000000.0000 18000000.0000 18000000.0000 13000000.0000 3100000.0000 4000000.0000 4000000.0000 Thymidine 7400000.0000 7400000.0000 7500000.0000 4700000.0000 4400000.0000 4500000.0000 11000000.0000 11000000.0000 14000000.0000 5800000.0000 6400000.0000 6600000.0000 3500000.0000 3400000.0000 3800000.0000 1200000.0000 1300000.0000 1300000.0000 Thymine 2400000.0000 2500000.0000 2400000.0000 2300000.0000 2300000.0000 2100000.0000 2200000.0000 2700000.0000 2400000.0000 630000.0000 670000.0000 700000.0000 2800000.0000 2900000.0000 3100000.0000 5000000.0000 5100000.0000 5000000.0000 Tryptophan 15000000.0000 15000000.0000 13000000.0000 23000000.0000 31000000.0000 20000000.0000 18000000.0000 16000000.0000 26000000.0000 50000000.0000 52000000.0000 34000000.0000 16000000.0000 17000000.0000 15000000.0000 710000.0000 660000.0000 700000.0000 Tyrosine 3200000.0000 3400000.0000 3100000.0000 7900000.0000 7800000.0000 8000000.0000 1700000.0000 1700000.0000 2000000.0000 4700000.0000 4300000.0000 4500000.0000 4100000.0000 4100000.0000 4400000.0000 8700000.0000 8500000.0000 8500000.0000 UDP 25000000.0000 53000000.0000 35000000.0000 9800000.0000 11000000.0000 20000000.0000 23000000.0000 27000000.0000 33000000.0000 30000000.0000 33000000.0000 12000000.0000 14000000.0000 16000000.0000 14000000.0000 45000000.0000 41000000.0000 47000000.0000 UMP 740000.0000 770000.0000 750000.0000 2700000.0000 2900000.0000 2900000.0000 560000.0000 630000.0000 590000.0000 2100000.0000 2100000.0000 2200000.0000 3200000.0000 3300000.0000 3400000.0000 5800000.0000 5500000.0000 5600000.0000 Valine 1800000.0000 1900000.0000 2100000.0000 860000.0000 890000.0000 890000.0000 1500000.0000 1700000.0000 1500000.0000 1000000.0000 1100000.0000 1100000.0000 5900000.0000 5700000.0000 5600000.0000 790000.0000 810000.0000 830000.0000 XMP 25000000.0000 29000000.0000 29000000.0000 7700000.0000 7900000.0000 8000000.0000 24000000.0000 28000000.0000 27000000.0000 41000000.0000 43000000.0000 40000000.0000 19000000.0000 19000000.0000 20000000.0000 36000000.0000 34000000.0000 36000000.0000 Xylitol 47000000.0000 41000000.0000 36000000.0000 14000000.0000 16000000.0000 24000000.0000 15000000.0000 21000000.0000 22000000.0000 26000000.0000 28000000.0000 25000000.0000 36000000.0000 43000000.0000 38000000.0000 36000000.0000 33000000.0000 21000000.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 1-Aminocyclopropane-1-carboxylate 102.06 8.6 Jiangnan_ret 535 C01234 58 Jiangnan_ID 2,6-Diaminoheptanedioate 191.10 7.9 Jiangnan_ret 439283 C00666 47 Jiangnan_ID 2-Aminomuconate 158.05 10.9 Jiangnan_ret 5459864 C02220 67 Jiangnan_ID 2-Aminophenol 110.06 9.5 Jiangnan_ret 5801 C01987 62 Jiangnan_ID 2-Deoxy-ribose 135.07 28.5 Jiangnan_ret 46173726 C04175 134 Jiangnan_ID 2-Oxoadipate 161.04 22.9 Jiangnan_ret 71 C00322 122 Jiangnan_ID 2-Oxobutanoate 103.04 8.6 Jiangnan_ret 58 C00109 59 Jiangnan_ID 2-Oxoglutarate 147.03 7.5 Jiangnan_ret 51 C00026 44 Jiangnan_ID 3-Phospho-glycerate 187.00 7.9 Jiangnan_ret 439183 C00197 48 Jiangnan_ID 3-Phospho-glyceroyl phosphate 266.97 37.7 Jiangnan_ret 439191 C00236 142 Jiangnan_ID 4-Aminobutyraldehyde 88.08 7.4 Jiangnan_ret 118 C00555 43 Jiangnan_ID 4-Hydroxybenzoate 139.04 11.8 Jiangnan_ret 135 C00156 74 Jiangnan_ID 5,6-Dihydrouracil 115.05 14.2 Jiangnan_ret 649 C00429 87 Jiangnan_ID 5-Aminoimidazole 84.06 6.7 Jiangnan_ret 484 C05239 41 Jiangnan_ID 5-Hydroxy-tryptophan 221.09 4.9 Jiangnan_ret 439280 C00643 27 Jiangnan_ID 5'-Methylthioadenosine 298.10 18.3 Jiangnan_ret 439176 C00170 102 Jiangnan_ID 5-Phosphoribosylamine 230.04 4.8 Jiangnan_ret 439905 C03090 22 Jiangnan_ID 6-Phospho-gluconate 277.03 18.7 Jiangnan_ret 91493 C00345 104 Jiangnan_ID 7,8-Diaminononanoate 189.16 14.2 Jiangnan_ret 652 C01037 88 Jiangnan_ID Acetate 60.03 4.8 Jiangnan_ret 176 C00033 23 Jiangnan_ID Acetyl phosphate 138.98 4.6 Jiangnan_ret 186 C00227 19 Jiangnan_ID Acrylamide 72.05 5.1 Jiangnan_ret 6579 C01659 29 Jiangnan_ID Acrylate 73.03 24.7 Jiangnan_ret 6581 C00511 126 Jiangnan_ID Acrylonitrile 54.03 4.8 Jiangnan_ret 7855 C01998 24 Jiangnan_ID Adenine 136.06 11.3 Jiangnan_ret 190 C00147 72 Jiangnan_ID Adenosine 268.10 13.2 Jiangnan_ret 60961 C00212 84 Jiangnan_ID Adenylylselenate 475.97 18.9 Jiangnan_ret 440758 C05686 106 Jiangnan_ID ADP 426.02 0.3 Jiangnan_ret 6022 C00008 1 Jiangnan_ID Agmatine 131.13 4.2 Jiangnan_ret 199 C00179 11 Jiangnan_ID Alanine 90.06 6.8 Jiangnan_ret 5950 C00041 42 Jiangnan_ID Aminoacetone 74.06 23.2 Jiangnan_ret 215 C01888 123 Jiangnan_ID AMP 348.07 14.8 Jiangnan_ret 6083 C00020 89 Jiangnan_ID Anthranilate 138.06 7.8 Jiangnan_ret 227 C00108 45 Jiangnan_ID Arginine 175.12 4.1 Jiangnan_ret 6322 C00062 9 Jiangnan_ID Arogenate 228.09 17.7 Jiangnan_ret 439319 C00826 100 Jiangnan_ID Aspartate 134.05 5.5 Jiangnan_ret 5960 C00049 33 Jiangnan_ID ATP 508.00 20.2 Jiangnan_ret 5957 C00002 111 Jiangnan_ID Barbiturate 129.03 4.4 Jiangnan_ret 6211 C00813 16 Jiangnan_ID Benzoate 123.04 11.2 Jiangnan_ret 243 C00180 71 Jiangnan_ID beta-Alanyl arginine 246.16 21.4 Jiangnan_ret 440637 C05340 117 Jiangnan_ID Biotin 245.10 21.3 Jiangnan_ret 171548 C00120 115 Jiangnan_ID Carnitine 162.11 15.9 Jiangnan_ret 10917 C00318 92 Jiangnan_ID Catechol 111.04 7.9 Jiangnan_ret 289 C00090 49 Jiangnan_ID CDP 404.03 34.0 Jiangnan_ret 6132 C00112 140 Jiangnan_ID CDP-glucose 566.08 22.4 Jiangnan_ret 439244 C00501 121 Jiangnan_ID Chitobiose 425.18 29.9 Jiangnan_ret 439544 C01674 137 Jiangnan_ID Choline 105.11 4.2 Jiangnan_ret 305 C00114 12 Jiangnan_ID Chorismate 227.06 12.2 Jiangnan_ret 12039 C00251 77 Jiangnan_ID Citrate 191.02 4.0 Jiangnan_ret 311 C00158 7 Jiangnan_ID Citrulline 176.10 15.5 Jiangnan_ret 9750 C00327 90 Jiangnan_ID CMP 324.06 9.7 Jiangnan_ret 6131 C00055 64 Jiangnan_ID CTP 483.99 26.2 Jiangnan_ret 6176 C00063 132 Jiangnan_ID Cystathionine 223.08 4.4 Jiangnan_ret 834 C00542 17 Jiangnan_ID Cysteine 122.03 10.6 Jiangnan_ret 5862 C00097 66 Jiangnan_ID Cytidine 244.09 25.8 Jiangnan_ret 6175 C00475 130 Jiangnan_ID Cytosine 112.05 10.0 Jiangnan_ret 597 C00380 65 Jiangnan_ID dADP 410.03 1.1 Jiangnan_ret 188966 C00206 2 Jiangnan_ID dATP 489.99 19.5 Jiangnan_ret 15993 C00131 108 Jiangnan_ID dCDP 386.02 17.5 Jiangnan_ret 150855 C00705 98 Jiangnan_ID Deoxyadenosine 252.11 9.6 Jiangnan_ret 13730 C00559 63 Jiangnan_ID Deoxycytidine 228.10 17.7 Jiangnan_ret 13711 C00881 101 Jiangnan_ID dIDP 413.03 23.2 Jiangnan_ret 439488 C01344 124 Jiangnan_ID Dihydroorotate 159.04 4.8 Jiangnan_ret 439216 C00337 25 Jiangnan_ID dTMP 323.06 21.3 Jiangnan_ret 9700 C00364 116 Jiangnan_ID dUMP 309.05 25.7 Jiangnan_ret 65063 C00365 129 Jiangnan_ID Erythrose 4-Phosphate 201.02 18.3 Jiangnan_ret 122357 C00279 103 Jiangnan_ID FAD 786.17 16.2 Jiangnan_ret 643975 C00016 95 Jiangnan_ID FMN 457.11 20.3 Jiangnan_ret 643976 C00061 112 Jiangnan_ID Fructose 1,6-bisphosphate 338.99 21.5 Jiangnan_ret 172313 C00354 118 Jiangnan_ID Fructose 6-phosphate 259.02 15.6 Jiangnan_ret 439160 C00085 91 Jiangnan_ID Fumarate 115.01 5.9 Jiangnan_ret 444972 C00122 37 Jiangnan_ID GABA 104.07 4.2 Jiangnan_ret 119 C00334 13 Jiangnan_ID Geranylgeranyl diphosphate 451.20 3.9 Jiangnan_ret 447277 C00353 6 Jiangnan_ID Glucarate 209.03 19.6 Jiangnan_ret 33037 C00818 109 Jiangnan_ID Gluconate 197.07 16.4 Jiangnan_ret 10690 C00257 96 Jiangnan_ID Glucosamine 180.09 4.9 Jiangnan_ret 439213 C00329 28 Jiangnan_ID Glucosamine 6-phosphate 260.05 28.0 Jiangnan_ret 440997 C00352 133 Jiangnan_ID Glucose 179.06 22.0 Jiangnan_ret 5793 C00031 120 Jiangnan_ID Glucuronate 195.05 4.0 Jiangnan_ret 94715 C00191 8 Jiangnan_ID Glutamate 148.06 5.6 Jiangnan_ret 33032 C00025 34 Jiangnan_ID Glutathione 308.09 19.2 Jiangnan_ret 124886 C00051 107 Jiangnan_ID Glycerol 93.06 8.1 Jiangnan_ret 753 C00116 53 Jiangnan_ID Glycerone 89.02 5.4 Jiangnan_ret 670 C00184 31 Jiangnan_ID Glycerone phosphate 171.01 4.3 Jiangnan_ret 668 C00111 14 Jiangnan_ID Glycine 76.04 6.1 Jiangnan_ret 750 C00037 39 Jiangnan_ID Glycolate 77.02 7.9 Jiangnan_ret 757 C00160 50 Jiangnan_ID Glyoxylate 75.01 4.3 Jiangnan_ret 760 C00048 15 Jiangnan_ID GMP 362.05 12.2 Jiangnan_ret 6804 C00144 78 Jiangnan_ID Guanine 152.06 8.6 Jiangnan_ret 764 C00242 60 Jiangnan_ID Guanosine 284.10 13.0 Jiangnan_ret 6802 C00387 82 Jiangnan_ID Histidine 156.08 29.1 Jiangnan_ret 773 C00768 135 Jiangnan_ID Homocysteine 136.04 13.0 Jiangnan_ret 778 C05330 83 Jiangnan_ID Hypoxanthine 137.05 8.5 Jiangnan_ret 790 C00262 57 Jiangnan_ID IDP 429.02 30.0 Jiangnan_ret 6831 C00104 138 Jiangnan_ID IMP 349.05 15.9 Jiangnan_ret 8582 C00130 93 Jiangnan_ID Inosine 269.09 13.3 Jiangnan_ret 6021 C00294 85 Jiangnan_ID Isopentenyl diphosphate 247.01 17.6 Jiangnan_ret 1195 C00129 99 Jiangnan_ID Lactate 89.02 6.1 Jiangnan_ret 107689 C00186 40 Jiangnan_ID Leucine 132.10 7.8 Jiangnan_ret 6106 C00123 46 Jiangnan_ID Lipoate 207.05 16.9 Jiangnan_ret 864 C00725 97 Jiangnan_ID Malate 133.02 5.8 Jiangnan_ret 222656 C00149 36 Jiangnan_ID Mannitol 183.09 8.2 Jiangnan_ret 6251 C00392 56 Jiangnan_ID Mannitol 1-Phosphate 263.05 18.8 Jiangnan_ret 130418 C00644 105 Jiangnan_ID Methionine 150.06 24.9 Jiangnan_ret 6137 C00073 127 Jiangnan_ID Mevalonate 149.08 8.6 Jiangnan_ret 439230 C00418 61 Jiangnan_ID N-Acetyl-glucosamine 222.09 5.6 Jiangnan_ret 439174 C00140 35 Jiangnan_ID N-Acetyl-glutamate 190.07 15.9 Jiangnan_ret 70914 C00624 94 Jiangnan_ID Nicotinamide 123.06 11.0 Jiangnan_ret 936 C00153 68 Jiangnan_ID Nicotinamide ribonucleotide 335.06 12.3 Jiangnan_ret 14180 C00455 79 Jiangnan_ID O-Phospho-homoserine 200.03 4.8 Jiangnan_ret 151187 C01102 26 Jiangnan_ID O-Phospho serine 186.02 20.6 Jiangnan_ret 68841 C01005 113 Jiangnan_ID Orotate 157.03 4.7 Jiangnan_ret 967 C00295 20 Jiangnan_ID Pantetheine 4'-phosphate 357.09 5.1 Jiangnan_ret 115254 C01134 30 Jiangnan_ID Phenylacetaldehyde 121.07 3.6 Jiangnan_ret 998 C00601 4 Jiangnan_ID Phenylalanine 166.09 13.9 Jiangnan_ret 6140 C00079 86 Jiangnan_ID Phenylpyruvate 165.06 8.1 Jiangnan_ret 997 C00166 54 Jiangnan_ID Phosphoenolpyruvate 168.99 11.9 Jiangnan_ret 1005 C00074 76 Jiangnan_ID Proline 116.07 37.5 Jiangnan_ret 145742 C00148 141 Jiangnan_ID Propionyl-CoA 824.15 21.2 Jiangnan_ret 92753 C00100 114 Jiangnan_ID Pyruvate 89.02 7.9 Jiangnan_ret 1060 C00022 51 Jiangnan_ID Raffinose 505.18 24.1 Jiangnan_ret 439242 C00492 125 Jiangnan_ID Riboflavin 377.15 5.4 Jiangnan_ret 493570 C00255 32 Jiangnan_ID Ribose 151.06 11.1 Jiangnan_ret 5779 C00121 70 Jiangnan_ID Ribose 5-phosphate 231.03 3.7 Jiangnan_ret 439167 C00117 5 Jiangnan_ID S-Adenosyl-homocysteine 385.13 25.2 Jiangnan_ret 439155 C00021 128 Jiangnan_ID S-Adenosyl-methionine 399.15 21.6 Jiangnan_ret 34755 C00019 119 Jiangnan_ID Sedoheptulose 1,7-bisphosphate 371.01 11.0 Jiangnan_ret 164735 C00447 69 Jiangnan_ID Serine 106.05 4.4 Jiangnan_ret 5951 C00065 18 Jiangnan_ID sn-Glycerol 3-phosphate 173.02 3.1 Jiangnan_ret 439162 C00093 3 Jiangnan_ID Succinate 117.02 5.9 Jiangnan_ret 1110 C00042 38 Jiangnan_ID Tetrahydrofolate 446.18 30.0 Jiangnan_ret 91443 C00101 139 Jiangnan_ID Thiamin diphosphate 424.04 29.2 Jiangnan_ret 1132 C00068 136 Jiangnan_ID Threonine 120.08 11.8 Jiangnan_ret 6288 C00188 75 Jiangnan_ID Thymidine 241.08 26.0 Jiangnan_ret 5789 C00214 131 Jiangnan_ID Thymine 127.05 4.7 Jiangnan_ret 1135 C00178 21 Jiangnan_ID Tryptophan 205.10 12.8 Jiangnan_ret 6305 C00078 81 Jiangnan_ID Tyrosine 182.08 8.1 Jiangnan_ret 6057 C00082 55 Jiangnan_ID UDP 405.01 19.6 Jiangnan_ret 6031 C00015 110 Jiangnan_ID UMP 323.03 11.7 Jiangnan_ret 6030 C00105 73 Jiangnan_ID Valine 118.09 4.1 Jiangnan_ret 6287 C00183 10 Jiangnan_ID XMP 363.03 12.7 Jiangnan_ret 73323 C00655 80 Jiangnan_ID Xylitol 153.08 8.0 Jiangnan_ret 6912 C00379 52 Jiangnan_ID METABOLITES_END #END