#METABOLOMICS WORKBENCH amitch_20151203_9082941_mwtab.txt DATATRACK_ID:445 efahy_20151227_074900 STUDY_ID:ST000289 ANALYSIS_ID:AN000461 PROJECT_ID:PR000231 VERSION 1 CREATED_ON December 27, 2015, 7:49 am #PROJECT PR:PROJECT_TITLE Climate Change and Starch Yield in Maize PR:PROJECT_TYPE MS study PR:PROJECT_SUMMARY Comparison of unaltered inbred maize endosperm metabolite pools with PR:PROJECT_SUMMARY corresponding tissues from the same time in development but from plants lacking PR:PROJECT_SUMMARY both PDK1 and PDK2 PR:INSTITUTE Iowa State University PR:DEPARTMENT Biochemistry, Biophysics, and Mol. Biol. PR:LABORATORY Myers/Hennen-Bierwagen PR:LAST_NAME Hennen-Bierwagen PR:FIRST_NAME Tracie PR:ADDRESS 2154 Mol. Biol. Blg, ISU, Ames, IA PR:EMAIL tabier@iastate.edu PR:PHONE 515-294-9548 PR:FUNDING_SOURCE USDA #STUDY ST:STUDY_TITLE PPDK RNAi effects in endosperm metabolite pools ST:STUDY_SUMMARY Maize plants were transformed with endosperm-specific PPDK RNAi knockout ST:STUDY_SUMMARY constructs to alter starch/protein ratios. Metabolite pool comparisons will be ST:STUDY_SUMMARY examined from sibling kernels harvested from segregating ears. ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LABORATORY Stewart ST:LAST_NAME Stewart ST:FIRST_NAME Jon D. ST:ADDRESS 102 Leigh Hall ST:EMAIL jds2@chem.ufl.edu ST:PHONE 352-846-0743 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 6 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Zea mays #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Stewart7kDPDKRNAi_#1_tube_1019 Stewart_27kDPDKRNAi_#1_tube_1019_1 Tissue:mutant SUBJECT_SAMPLE_FACTORS Stewart7kDPDKRNAi_#1_tube_1019 Stewart_27kDPDKRNAi_#1_tube_1019_2 Tissue:mutant SUBJECT_SAMPLE_FACTORS Stewart7kDPDKRNAi_#1_tube_604 Stewart_27kDPDKRNAi_#1_tube_604_1 Tissue:mutant SUBJECT_SAMPLE_FACTORS Stewart7kDPDKRNAi_#1_tube_604 Stewart_27kDPDKRNAi_#1_tube_604_2 Tissue:mutant SUBJECT_SAMPLE_FACTORS Stewart7kDPDKRNAi_#33_tube_1515 Stewart_27kDPDKRNAi_#33_tube_1515_1 Tissue:mutant SUBJECT_SAMPLE_FACTORS Stewart7kDPDKRNAi_#33_tube_1515 Stewart_27kDPDKRNAi_#33_tube_1515_2 Tissue:mutant SUBJECT_SAMPLE_FACTORS Stewart_WT_tube_1019 Stewart_WT_tube_1019_1 Tissue:control SUBJECT_SAMPLE_FACTORS Stewart_WT_tube_1019 Stewart_WT_tube_1019_2 Tissue:control SUBJECT_SAMPLE_FACTORS Stewart_WT_tube_1515 Stewart_WT_tube_1515_1 Tissue:control SUBJECT_SAMPLE_FACTORS Stewart_WT_tube_1515 Stewart_WT_tube_1515_2 Tissue:control SUBJECT_SAMPLE_FACTORS Stewart_WT_tube_604 Stewart_WT_tube_604_1 Tissue:control SUBJECT_SAMPLE_FACTORS Stewart_WT_tube_604 Stewart_WT_tube_604_2 Tissue:control #COLLECTION CO:COLLECTION_SUMMARY n/a CO:SAMPLE_TYPE maize starchy endosperm CO:COLLECTION_METHOD manual removal from maize ear CO:COLLECTION_LOCATION Iowa State University CO:STORAGE_CONDITIONS ear frozen in liquid N2, kernels removed while frozen, and maintained at -80C #TREATMENT TR:TREATMENT_SUMMARY n/a TR:PLANT_GROWTH_LOCATION Woodruff Farm, Story Co., Ames, IA TR:PLANT_PLOT_DESIGN 10 plants/row; random row placement over 0.5 acres TR:PLANT_LIGHT_PERIOD natural sunlight and day length, summer 2014 TR:PLANT_ESTAB_DATE May 2014 TR:PLANT_HARVEST_DATE Each ear is segregating both mutant and wild type kernels, thus the harvest and TR:PLANT_HARVEST_DATE freezing for the controls is the exact same as the mutant sibling kernels from TR:PLANT_HARVEST_DATE the same ear. TR:PLANT_GROWTH_STAGE 20 days after pollination TR:PLANT_METAB_QUENCH_METHOD flash frozen in liquid N2, maintained at -80C #SAMPLEPREP SP:SAMPLEPREP_SUMMARY n/a SP:SAMPLEPREP_PROTOCOL_FILENAME Plant_Tissue.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Scientific-Dionex Ultimate 3000 CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm, 2um) CH:METHODS_FILENAME Instrument Parameters.pdf #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_NAME Thermo Scientific- Q Exactive #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples Stewart_WT_tube_604_2 Stewart_27kDPDKRNAi_#1_tube_604_2 Stewart_27kDPDKRNAi_#1_tube_604_1 Stewart_WT_tube_1515_1 Stewart_WT_tube_1019_1 Stewart_WT_tube_1019_2 Stewart_27kDPDKRNAi_#1_tube_1019_1 Stewart_27kDPDKRNAi_#1_tube_1019_2 Stewart_27kDPDKRNAi_#33_tube_1515_1 Stewart_27kDPDKRNAi_#33_tube_1515_2 Stewart_WT_tube_604_1 Stewart_WT_tube_1515_2 Factors Tissue:control Tissue:mutant Tissue:mutant Tissue:control Tissue:control Tissue:control Tissue:mutant Tissue:mutant Tissue:mutant Tissue:mutant Tissue:control Tissue:control 2,5-DIHYDROXYBENZOATE 5.23E+05 6.25E+05 6.75E+05 5.12E+05 4.17E+04 2.87E+05 3.57E+05 4.32E+05 6.77E+05 7.23E+05 8.12E+05 4.27E+05 3-(2-HYDROXYPHENYL)PROPANOATE 4.88E+05 4.72E+05 1.75E+05 4.8E+05 7.46E+05 1.34E+06 1.75E+05 2.68E+05 4E+05 2.53E+05 5.22E+05 3.49E+05 3,4-DIHYDROXYPHENYLACETATE 1.72E+06 1.72E+06 1.78E+06 3.85E+06 1.73E+06 2.07E+06 1.88E+06 2.32E+06 3.47E+06 3.5E+06 1.79E+06 3.57E+06 3'-CMP 2.53E+05 2.98E+04 1.22E+05 6.09E+03 1.12E+03 0 908 0 1.37E+04 8.6E+03 2.9E+05 2.49E+04 3-METHYL-2-OXOVALERIC ACID 8.65E+05 1.03E+06 7.36E+05 1.79E+06 1.99E+06 2.01E+06 2.74E+06 2.72E+06 2.05E+06 2.68E+06 8.91E+05 1.94E+06 4-METHYL-2-OXO-PENTANOIC ACID 1.31E+06 1.55E+06 1.15E+06 2.39E+06 2.48E+06 2.73E+06 4.06E+06 3.98E+06 2.79E+06 3.64E+06 1.39E+06 2.54E+06 5-OXO-L-PROLINE 2.35E+07 2.77E+07 2.98E+07 1.77E+07 9.74E+06 5.51E+06 1.67E+07 2.24E+07 2.56E+07 2.74E+07 2.52E+07 1.78E+07 6-PHOSPHOGLUCONIC ACID 2.8E+06 4.09E+06 4.47E+06 2.99E+07 3.63E+06 4.86E+06 8.2E+06 7.78E+06 1.21E+07 1.61E+06 4.15E+06 2.41E+06 ADENINE 3.04E+07 3.05E+07 3.2E+07 2.05E+07 1.05E+07 9.6E+06 1.07E+07 1.15E+07 2.19E+07 1.98E+07 3.32E+07 2.09E+07 ADENOSINE 6.72E+06 8.91E+06 9.92E+06 4.46E+06 1.64E+06 1.84E+06 2.53E+06 2.26E+06 6.73E+06 6.56E+06 9.54E+06 4.3E+06 ADENOSINE 5'-MONOPHOSPHATE 3.71E+07 6.29E+07 7.35E+07 8.65E+07 7.46E+07 7.94E+07 1.01E+08 1.24E+08 9.82E+07 1.01E+08 5.07E+07 7.64E+07 ADP_1 5.51E+04 1.68E+05 1.7E+04 2.88E+06 5.99E+06 9.55E+06 1.56E+07 1.98E+07 4.93E+06 5.25E+06 3.36E+04 2.97E+06 ADP_2 1.17E+04 1.71E+04 1.05E+04 1.5E+06 3.27E+06 5.21E+06 2.35E+07 3.06E+07 2.58E+06 2.81E+06 3.59E+03 1.33E+06 ALDOPENTOSE 2.18E+07 2.4E+07 2.37E+07 2.14E+07 1.41E+07 1.64E+07 2.21E+07 2.29E+07 2.24E+07 2.38E+07 2.32E+07 2E+07 ALPHA-KETOGLUTARIC ACID 1.41E+07 1.64E+07 1.94E+07 8.83E+06 5.07E+06 5.96E+06 1.77E+07 1.74E+07 1.18E+07 1.31E+07 1.57E+07 8.46E+06 ASPARAGINE 4.94E+06 6.84E+06 7.62E+06 2.51E+07 1.36E+07 1.51E+07 1.99E+07 2.11E+07 3.14E+07 3.59E+07 5.91E+06 2.63E+07 ASPARTATE 3.64E+08 3.19E+08 3.35E+08 3.4E+08 3.76E+08 4.51E+08 2.07E+08 2.34E+08 3.11E+08 2.75E+08 3.33E+08 3.09E+08 C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC) 5.02E+08 5.47E+08 5.76E+08 3.65E+08 3.9E+08 3.87E+08 4.57E+08 4.78E+08 3.62E+08 3.53E+08 5.27E+08 3.65E+08 C6H12O6-HEXOSE/KETOSE/INOSITOL 4.61E+08 5.37E+08 4.77E+08 3.15E+08 3.43E+08 4.31E+08 5.55E+08 5.69E+08 3.25E+08 3.43E+08 5.04E+08 2.82E+08 CITRATE 1.43E+08 3.29E+08 4.33E+08 1.36E+09 1.21E+09 1.28E+09 1.24E+09 1.49E+09 1.47E+09 1.17E+09 2.63E+08 1.34E+09 CITRIC ACID-13C6 1.63E+07 1.74E+07 1.9E+07 1.78E+07 1.75E+07 1.1E+07 1.23E+07 1.01E+03 1.76E+07 2.6E+07 1.71E+07 1.79E+07 CMP 2.73E+06 3.51E+06 4.09E+06 2.97E+06 2.64E+06 2.83E+06 3.17E+06 3.68E+06 3.13E+06 3.12E+06 3.02E+06 2.87E+06 D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID 3.48E+07 3.25E+07 3.04E+07 1.86E+07 1.93E+07 2.31E+07 2.16E+07 2.2E+07 2.14E+07 1.99E+07 3.6E+07 1.7E+07 DIHYDROXYACETONE PHOSPHATE 7.87E+04 1.49E+05 1.18E+05 2.1E+05 1.76E+05 8.78E+05 3.67E+06 4.52E+06 1.78E+06 1.95E+06 8.09E+04 8.56E+05 DISACCHARIDE (6C/6C) 4.42E+07 4.83E+07 4.82E+07 3.35E+07 4.14E+07 4.15E+07 5.28E+07 5.19E+07 3.4E+07 3.38E+07 4.71E+07 3.24E+07 D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE 1.33E+07 1.53E+07 1.4E+07 2.28E+07 1.98E+07 2.26E+07 2.97E+07 2.97E+07 2.83E+07 3.41E+07 1.43E+07 2.06E+07 D-SACCHARIC ACID 1.79E+07 2.11E+07 1.87E+07 1.93E+07 1.14E+07 1.67E+07 1.8E+07 1.48E+07 1.86E+07 2.12E+07 1.94E+07 1.67E+07 Erythrose 4-Phosphate 1.07E+06 4.01E+05 1.16E+06 1.91E+06 2.49E+06 3.17E+06 2.9E+06 3.26E+06 2.11E+06 2.28E+06 3.57E+05 1.85E+06 Fumaric Acid 6.96E+07 5.62E+07 5.36E+07 6.06E+07 3.14E+07 3.25E+07 2.23E+07 2.32E+07 6.45E+07 6.22E+07 6.51E+07 6.57E+07 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE 1.72E+08 1.81E+08 1.6E+08 9.74E+07 8.26E+07 9.6E+07 1.03E+08 9.92E+07 1.06E+08 1.06E+08 1.84E+08 9.03E+07 Glucose 1-Phosphate 7.36E+07 1.13E+08 1.17E+08 1.59E+08 1.08E+08 1.31E+08 2.62E+08 2.62E+08 2.39E+08 2.44E+08 1.03E+08 1.57E+08 GLUCOSE/FRUCTOSE [M+Cl]- 1.07E+08 1.25E+08 1.07E+08 7.16E+07 1.13E+08 1.37E+08 1.92E+08 1.85E+08 7.49E+07 8.43E+07 1.26E+08 6.07E+07 GLUTARATE 6.57E+06 4.59E+06 6E+06 8.28E+06 5.93E+06 5.68E+06 5.95E+06 6.79E+06 8.18E+06 8.4E+06 5.88E+06 7.57E+06 GLUTATHIONE 2.86E+07 3.76E+07 4.14E+07 1.14E+08 6.64E+07 8.79E+07 1.36E+08 1.68E+08 1.5E+08 1.51E+08 3.6E+07 1.04E+08 Glyceraldehyde 1.26E+08 1.4E+08 1.4E+08 8.88E+07 8.79E+07 1.01E+08 1.43E+08 1.53E+08 9.29E+07 9.56E+07 1.37E+08 8.11E+07 GLYCERIC ACID 3.06E+07 2.84E+07 2.83E+07 1.12E+07 9.11E+06 1.12E+07 1.15E+07 1.24E+07 1.06E+07 1.07E+07 3.35E+07 9.28E+06 GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE 4.46E+07 5.82E+07 5.55E+07 3.26E+07 2.71E+07 3.72E+07 3.98E+07 3.88E+07 3.67E+07 3.72E+07 5.22E+07 3.33E+07 GLYCOLATE 1.12E+07 1.16E+07 1.22E+07 7.95E+06 7.69E+06 6.35E+06 8.12E+06 7.84E+06 7.67E+06 7.59E+06 1.15E+07 7.56E+06 Guanosine 9.62E+06 9.03E+06 1.1E+07 5.74E+06 4.22E+06 5.78E+06 4.74E+06 4.51E+06 7.01E+06 6.66E+06 1.11E+07 5.85E+06 GUANOSINE 5'-MONOPHOSPHATE 4.28E+06 5.29E+06 5.95E+06 8.19E+06 7.74E+06 8.78E+06 9.17E+06 1.13E+07 8.01E+06 9.22E+06 5.13E+06 7.33E+06 HEXOSE ALCOHOL 4.45E+08 7E+08 7.37E+08 3.87E+08 3.07E+08 3.88E+08 5.57E+08 6.59E+08 5.31E+08 4.76E+08 5.97E+08 3.64E+08 Inosine 3.79E+06 3.71E+06 3.66E+06 3.02E+06 2.91E+06 2.94E+06 3.71E+06 3.46E+06 3.2E+06 3.22E+06 3.93E+06 3.09E+06 INOSINE 3.49E+05 4.63E+05 6E+05 3.77E+05 1.68E+04 4.2E+04 4.58E+05 2.42E+05 5.47E+05 6.99E+05 4.43E+05 3.68E+05 L-2-PHOSPHOGLYCERIC ACID 4.32E+07 9.16E+07 7.78E+07 1.66E+08 2.24E+08 2.66E+08 5.49E+08 5.72E+08 2.33E+08 2.78E+08 7.79E+07 1.54E+08 L-GLUTAMINE 5.38E+07 7.8E+07 6.93E+07 8.3E+07 8.97E+07 9.54E+07 1.18E+08 1.36E+08 1.03E+08 1.2E+08 5.97E+07 8.55E+07 Linoleic Acid (18:2) 1.7E+08 1.52E+08 1.31E+08 1.78E+07 4.29E+06 1.07E+07 6.14E+06 3.32E+06 1.51E+07 1.25E+07 1.89E+08 1.98E+07 L-METHIONINE 1.73E+07 1.95E+07 2.13E+07 1.66E+07 2.06E+07 2.33E+07 2.11E+07 2.66E+07 2.25E+07 2.24E+07 1.8E+07 1.7E+07 L-TYROSINE 2.44E+07 2.78E+07 3.6E+07 2.11E+07 3.63E+07 3.9E+07 4.63E+07 6.15E+07 2.69E+07 2.63E+07 2.83E+07 2.09E+07 MALATE 2E+09 1.78E+09 1.79E+09 2.62E+09 1.9E+09 2.05E+09 1.62E+09 1.77E+09 2.7E+09 2.57E+09 1.89E+09 2.57E+09 MALONATE 1.61E+06 4.08E+06 5.44E+06 1.72E+06 1.62E+06 1.36E+06 1.98E+06 4.65E+06 1.69E+06 1.41E+06 4.97E+06 1.38E+06 Mono-(2-Ethylhexyl) Phthalate 2.62E+06 2.56E+06 2.92E+06 2.73E+06 2.43E+06 2.28E+06 2.57E+06 2.71E+06 2.79E+06 2.7E+06 2.73E+06 2.69E+06 Mono-(2-Ethylhexyl) Phthalate Dimer 3.58E+07 3.39E+07 3.45E+07 2.72E+07 2.66E+07 3.23E+07 2.63E+07 2.81E+07 2.34E+07 2.35E+07 3.76E+07 2.55E+07 N-ACETYL-DL-GLUTAMIC ACID 2.08E+06 3.51E+06 4.06E+06 6.34E+04 3.24E+05 4.75E+05 4.49E+06 3.5E+06 9.8E+04 4.3E+04 3.09E+06 4.05E+04 NALPHA-ACETYL-L-LYSINE 6.3E+05 6.1E+05 7.81E+05 2.03E+06 3.24E+06 3.17E+06 1.7E+06 2.85E+06 1.7E+06 1.63E+06 7.78E+05 1.92E+06 NICOTINATE 6.38E+06 5.86E+06 7.61E+06 2.08E+06 8.38E+05 1.05E+06 1.17E+06 1.41E+06 4.34E+06 5.36E+06 6.97E+06 2.34E+06 N-METHYL-D-ASPARTIC ACID 1.02E+09 1.41E+09 1.37E+09 5.32E+08 6.57E+08 7.94E+08 1.21E+09 1.32E+09 7.65E+08 7.75E+08 1.23E+09 5.35E+08 N-METHYL-L-GLUTAMATE 3.15E+05 1.17E+05 3.18E+05 3.96E+06 1.78E+06 2.14E+06 1.88E+06 2.17E+06 3.81E+06 3.99E+06 3.04E+05 3.58E+06 Proline 1.39E+06 2.37E+06 2.93E+06 5.35E+05 7.38E+05 1.2E+06 3.01E+06 3.48E+06 9.67E+05 1.21E+06 2.56E+06 5.44E+05 QUINATE 1.27E+07 1.26E+07 8.81E+06 1.24E+07 9.08E+06 1.04E+07 7.76E+06 6.84E+06 1.04E+07 1.04E+07 1.19E+07 1.16E+07 Salicylic Acid-D4 3.35E+06 3.24E+06 3.7E+06 3.64E+06 3.58E+06 2.29E+06 2.56E+06 475 3.44E+06 4.94E+06 3.38E+06 3.56E+06 SARCOSINE/BETA-ALANINE 1.47E+07 2.55E+07 2.69E+07 8.3E+06 1.17E+07 1.45E+07 2.05E+07 2.53E+07 1.18E+07 1.04E+07 2.07E+07 7.61E+06 SUCCINATE 6.89E+08 7.02E+08 7.55E+08 6.59E+08 4.9E+08 5.37E+08 4.62E+08 5.58E+08 7.02E+08 6.5E+08 7.2E+08 6.6E+08 SUCCINIC ACID-13C6 3.09E+06 2.99E+06 3.22E+06 3.39E+06 3.48E+06 2.11E+06 2.38E+06 9.64E+04 3.38E+06 5.1E+06 3.01E+06 3.57E+06 THREONINE/HOMOSERINE 4.14E+07 5.16E+07 5.46E+07 3.35E+07 4.06E+07 4.45E+07 4.12E+07 4.74E+07 4.39E+07 4.34E+07 4.58E+07 3.09E+07 TRANS-ACONITATE 1.07E+07 1.42E+07 1.51E+07 7E+06 1.22E+07 1.71E+07 1.73E+07 1.85E+07 9.56E+06 8.35E+06 1.43E+07 6.51E+06 Tryptophan 1.69E+06 2.12E+06 2.24E+06 2.71E+06 2.1E+06 3.01E+06 2.49E+06 2.91E+06 4.27E+06 4.12E+06 2.01E+06 2.7E+06 UDP 5.26E+03 2.96E+03 5.7E+03 3.71E+06 5.18E+06 6.42E+06 1.34E+07 1.89E+07 5.29E+06 5E+06 2.91E+03 2.97E+06 URACIL 1.71E+07 1.42E+07 1.39E+07 4.13E+06 3.13E+06 2.65E+06 3.77E+06 2.89E+06 5.8E+06 4.15E+06 1.55E+07 5.41E+06 URATE 1.85E+06 6.27E+06 4.57E+06 1.87E+07 8.77E+05 2.86E+06 4.6E+06 7.19E+06 2.11E+07 1.89E+07 3.36E+06 1.73E+07 URIDINE 1.55E+08 1.45E+08 1.69E+08 5.84E+07 2.31E+07 2.43E+07 3.25E+07 3.14E+07 7.99E+07 7.78E+07 1.72E+08 5.73E+07 URIDINE-5-MONOPHOSPHATE 1.56E+08 2.03E+08 2.15E+08 2.54E+08 2.31E+08 2.46E+08 2.52E+08 2.98E+08 2.74E+08 2.84E+08 1.77E+08 2.44E+08 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index PubChem CID mass spectrum 2,5-DIHYDROXYBENZOATE 7.48 3469 153.0188 3-(2-HYDROXYPHENYL)PROPANOATE 8.73 873 165.0553 3,4-DIHYDROXYPHENYLACETATE 7.04 547 167.0329 3'-CMP 1.60 6131 322.0446 3-METHYL-2-OXOVALERIC ACID 6.71 47 129.0558 4-METHYL-2-OXO-PENTANOIC ACID 7.31 70 129.0558 5-OXO-L-PROLINE 1.81 7405 128.0350 6-PHOSPHOGLUCONIC ACID 0.78 91493 275.0182 ADENINE 1.50 190 134.0470 ADENOSINE 5.67 60961 266.0897 ADENOSINE 5'-MONOPHOSPHATE 1.69 6083 346.0545 ADP_1 1.13 6022 426.0223 ADP_2 0.84 6022 426.0217 ALDOPENTOSE 0.75 NOT Found in Database 149.0451 ALPHA-KETOGLUTARIC ACID 1.30 51 145.0143 ASPARAGINE 0.70 6267 131.0461 ASPARTATE 0.72 83887 132.0299 C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC) 0.79 NOT Found in Database 341.1074 C6H12O6-HEXOSE/KETOSE/INOSITOL 0.74 NOT Found in Database 179.0558 CITRATE 1.95 311 191.0194 CITRIC ACID-13C6 1.95 16217547 197.0399 CMP 1.11 6131 322.0446 D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID 0.72 NOT Found in Database 193.0346 DIHYDROXYACETONE PHOSPHATE 0.74 668 168.9906 DISACCHARIDE (6C/6C) 0.80 NOT Found in Database 377.0848 D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE 0.73 NOT Found in Database 229.0119 D-SACCHARIC ACID 0.72 33037 209.0301 Erythrose 4-Phosphate 0.74 122357 199.0010 Fumaric Acid 2.07 444972 115.0035 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE 0.73 NOT Found in Database 195.0509 Glucose 1-Phosphate 0.73 439165 259.0227 GLUCOSE/FRUCTOSE [M+Cl]- 0.73 NOT Found in Database 215.0326 GLUTARATE 4.68 743 131.0348 GLUTATHIONE 1.62 124886 306.0769 Glyceraldehyde 0.74 751 89.0238 GLYCERIC ACID 0.80 439194 105.0188 GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE 0.73 NOT Found in Database 171.0059 GLYCOLATE 0.83 757 75.0080 Guanosine 6.23 6802 282.0844 GUANOSINE 5'-MONOPHOSPHATE 1.99 6804 362.0517 HEXOSE ALCOHOL 0.73 NOT Found in Database 181.0714 Inosine 0.80 6021 267.0721 INOSINE 6.11 6021 267.0723 L-2-PHOSPHOGLYCERIC ACID 0.73 439278 184.9849 L-GLUTAMINE 0.72 5961 145.0615 Linoleic Acid (18:2) 16.23 5280450 279.2328 L-METHIONINE 1.43 6137 148.0439 L-TYROSINE 3.39 6057 180.0668 MALATE 0.90 92824 133.0139 MALONATE 1.19 867 103.0032 Mono-(2-Ethylhexyl) Phthalate 13.54 20393 277.1447 Mono-(2-Ethylhexyl) Phthalate Dimer 13.65 20393 540.3293 N-ACETYL-DL-GLUTAMIC ACID 2.23 185 188.0558 NALPHA-ACETYL-L-LYSINE 1.34 92907 187.1089 NICOTINATE 1.36 938 122.0244 N-METHYL-D-ASPARTIC ACID 0.74 22880 146.0458 N-METHYL-L-GLUTAMATE 0.79 439377 160.0612 Proline 0.80 614 114.0559 QUINATE 0.80 6508 191.0557 Salicylic Acid-D4 9.93 46782907 141.0496 SARCOSINE/BETA-ALANINE 0.72 NOT Found in Database 88.0398 SUCCINATE 2.30 1110 117.0193 SUCCINIC ACID-13C6 2.31 NOT Found in Database 121.0325 THREONINE/HOMOSERINE 0.72 NOT Found in Database 118.0509 TRANS-ACONITATE 3.22 444212 173.0089 Tryptophan 7.64 6305 203.0821 UDP 0.86 6031 402.9930 URACIL 1.34 1174 111.0197 URATE 1.88 1175 167.0210 URIDINE 2.87 6029 243.0614 URIDINE-5-MONOPHOSPHATE 1.27 6030 323.0280 METABOLITES_END #END