#METABOLOMICS WORKBENCH amitch_20150910_9594951_mwtab.txt DATATRACK_ID:374 STUDY_ID:ST000247 ANALYSIS_ID:AN000387 PROJECT_ID:PR000199 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Utilization of a global and targeted metabolomics approach to probe the effects PR:PROJECT_TITLE nitric oxide on physiology of the pathogen Staphylococcus aureus PR:PROJECT_TYPE Targeted LCMS Metabolomics PR:PROJECT_SUMMARY Staphylococcus aureus is a significant cause of morbidity and mortality in both PR:PROJECT_SUMMARY settings and the community at-large, and methicillin-resistant S. aureus (MRSA) PR:PROJECT_SUMMARY been recently categorized by the CDC as a significant antibiotic-resistant PR:PROJECT_SUMMARY As such, there exists an on-going critical need to study S. aureus genes that PR:PROJECT_SUMMARY growth and resistance to host immune responses, so that their encoded products PR:PROJECT_SUMMARY eventually be evaluated for potential as novel antimicrobial targets. In this PR:PROJECT_SUMMARY S. aureus nitric-oxide (NO) synthase (saNOS) and NO-reductase (saNOR) have been PR:PROJECT_SUMMARY shown to dramatically affect the physiology of this pathogen. Specifically, nos PR:PROJECT_SUMMARY have displayed decreased virulence in both subcutaneous abscess and sepsis PR:PROJECT_SUMMARY of infection, and our own research has suggested that NO produced via saNOS has PR:PROJECT_SUMMARY negative effect on endogenous reactive oxygen species (ROS) accumulation under PR:PROJECT_SUMMARY conditions promoting aerobic respiration and may regulate metabolism in an PR:PROJECT_SUMMARY unknown fashion. Our research has also demonstrated a role for saNOR in PR:PROJECT_SUMMARY cellular NO levels when exposed to exogenous NO donor and may contribute to PR:PROJECT_SUMMARY metabolism under conditions of nitrosative stress. Therefore, overall PR:PROJECT_SUMMARY of this proposal is that modulation of exogenous and endogenous NO levels (by PR:PROJECT_SUMMARY and saNOS, respectively) represent novel metabolic adaptations that contribute PR:PROJECT_SUMMARY S. aureus survival during infection. To this end, a global untargeted PR:PROJECT_SUMMARY approach will be employed to complete two research aims: Aim 1: Compare the PR:PROJECT_SUMMARY of saNOR on S. aureus metabolism when grown in the presence and absence of PR:PROJECT_SUMMARY NO. Aim 2: Identify the effects of endogenous NO produced by saNOS on S. aureus PR:PROJECT_SUMMARY when grown under conditions promoting aerobic respiration. These proposed PR:PROJECT_SUMMARY will help catalogue the exact metabolic changes that occur as a function of PR:PROJECT_SUMMARY and saNOR, which will help unravel the upstream regulatory circuits and PR:PROJECT_SUMMARY cellular targets of both of these enzymes. PR:INSTITUTE University of Florida PR:DEPARTMENT Microbiology and Cell Science PR:LABORATORY Kelly Rice PR:LAST_NAME Rice PR:FIRST_NAME Kelly PR:ADDRESS Room 1130, 1355 Museum Dr, UF campus, 32611-0700 PR:EMAIL kcrice@ufl.edu PR:PHONE 352-392-1192 PR:FUNDING_SOURCE Southeastern Center for Integrated Metabolomics (SECIM) pilot and feasibility PR:FUNDING_SOURCE NIH U24 DK097209 #STUDY ST:STUDY_TITLE Determining the metabolic profile of wildtype and nos mutant Staphylococcus ST:STUDY_TITLE grown in media lacking glucose using targeted LC/MS ST:STUDY_TYPE Single time point ST:STUDY_SUMMARY Whole cells from wildtype, nos mutant, SrrAB mutant, SrrAB nos double mutant, ST:STUDY_SUMMARY complement strains will be isolated for targeted metabolite analysis. In ST:STUDY_SUMMARY supernatants (extracellular metabolites) will also be analyzed for their ST:STUDY_SUMMARY profile. ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LAST_NAME Rice ST:FIRST_NAME Kelly ST:ADDRESS - ST:EMAIL kcrice@ufl.edu ST:PHONE - ST:NUM_GROUPS 7 ST:TOTAL_SUBJECTS 21 #SUBJECT SU:SUBJECT_TYPE Bacterial cells SU:SUBJECT_SPECIES Staphylococcus aureus SU:TAXONOMY_ID 1280 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 - 13A Strain:N/A | Sample type:Media Only Sample Type=Fresh TSB No Dextrose Media; Genus_Or_Species=N/A; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 13B Strain:N/A | Sample type:Media Only Sample Type=Fresh TSB No Dextrose Media; Genus_Or_Species=N/A; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 13C Strain:N/A | Sample type:Media Only Sample Type=Fresh TSB No Dextrose Media; Genus_Or_Species=N/A; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 9A Strain:nos complement | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos complement; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 9B Strain:nos complement | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos complement; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 9C Strain:nos complement | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos complement; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 3A Strain:nos complement | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos complement; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 3B Strain:nos complement | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos complement; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 3C Strain:nos complement | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos complement; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 8A Strain:nos mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 8B Strain:nos mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 8C Strain:nos mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 2A Strain:nos mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 2B Strain:nos mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 2C Strain:nos mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 12A Strain:nos SrrAB mutant nos complement | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant nos complement; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 12B Strain:nos SrrAB mutant nos complement | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant nos complement; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 12C Strain:nos SrrAB mutant nos complement | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant nos complement; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 6A Strain:nos SrrAB mutant nos complement | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant nos complement; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 6B Strain:nos SrrAB mutant nos complement | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant nos complement; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 6C Strain:nos SrrAB mutant nos complement | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant nos complement; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 11A Strain:nos SrrAB mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 11B Strain:nos SrrAB mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 11C Strain:nos SrrAB mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 5A Strain:nos SrrAB mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 5B Strain:nos SrrAB mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 5C Strain:nos SrrAB mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus nos SrrAB double mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 10A Strain:SrrAB mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus SrrAB mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 10B Strain:SrrAB mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus SrrAB mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 10C Strain:SrrAB mutant | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus SrrAB mutant; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 4A Strain:SrrAB mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus SrrAB mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 4B Strain:SrrAB mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus SrrAB mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 4C Strain:SrrAB mutant | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus SrrAB mutant; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 7A Strain:Wildtype | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus Wildtype; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 7B Strain:Wildtype | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus Wildtype; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 7C Strain:Wildtype | Sample type:Supernatant Sample Type=Supernatant metabolites in TSB No Dextrose; Genus_Or_Species=Staphylococcus aureus Wildtype; Volume=1; Units=ml SUBJECT_SAMPLE_FACTORS - 1A Strain:Wildtype | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus Wildtype; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 1B Strain:Wildtype | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus Wildtype; Volume=N/A; Units=Cell Pellet SUBJECT_SAMPLE_FACTORS - 1C Strain:Wildtype | Sample type:Whole Cells Sample Type=Dry Cell Pellet; Genus_Or_Species=Staphylococcus aureus Wildtype; Volume=N/A; Units=Cell Pellet #COLLECTION CO:COLLECTION_SUMMARY The wildtype S. aureus, nos mutant, SrrAB mutant, nos SrrAB double mutant, and CO:COLLECTION_SUMMARY strains will be grown in 40 ml trytic soy broth lacking dextrose for 4 hours. CO:COLLECTION_SUMMARY 4 hours growth, all 40 ml was isolated, centrifuged at 4500 rpms and 4C for 10 CO:COLLECTION_SUMMARY and then placed on ice. 1 ml of supernatant was removed in duplicate and saved CO:COLLECTION_SUMMARY supernatant. The rest of the supernatant was discarded and pellets were CO:COLLECTION_SUMMARY in 2 ml PBS, centrifuged at 4500 rpms for 3 minutes (4C). Supernatant was CO:COLLECTION_SUMMARY and samples were again resuspended in 2 ml PBS. These samples were split into 2 CO:COLLECTION_SUMMARY 1 ml aliquots (for metabolite and protein determination) and frozen with liquid CO:COLLECTION_SUMMARY Separate media only samples of Tryptic Soy Broth without dextrose were isolated CO:COLLECTION_SUMMARY each day (3 total) Samples were stored at -80C. A total of 39 samples (18 whole CO:COLLECTION_SUMMARY 18 supernatant, and 3 media) were isolated. CO:COLLECTION_PROTOCOL_FILENAME Rice_Collections_targeted_20150807.txt #TREATMENT TR:TREATMENT_SUMMARY nos mutation, SrrAB mutation, and nos SrrAB double mutant mutations were TR:TREATMENT_SUMMARY as well as complementation before growing each strain under the same TR:TREATMENT_SUMMARY All strains were grown in Tryptic soy broth without dextrose. No additional TR:TREATMENT_SUMMARY and/or variables are included in the experiment. TR:TREATMENT_PROTOCOL_FILENAME Rice_Treatments_targeted_20150807.txt #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Amino acid|Organic acid|NAD|NADH SP:SAMPLEPREP_PROTOCOL_FILENAME SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_NAD_Assay.pdf;SB_NADH_Assay.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Amino acid|Organic acid|NAD|NADH CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Quantiva QQQ CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:METHODS_FILENAME SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_NAD_Assay.pdf;SB_NADH_Assay.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Sanford Burnham AN:DETECTOR_TYPE Triple Quadrupole #MS MS:INSTRUMENT_NAME Thermo Quantiva QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Organic Acids (Instrument:Thermo Scientific Quantiva) MS:MS_COMMENTS Organic Acids #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nmol/mg protein MS_METABOLITE_DATA_START Samples 13A 13B 13C 9A 9B 9C 3A 3B 3C 8A 8B 8C 2A 2B 2C 12A 12B 12C 6A 6B 6C 11A 11B 11C 5A 5B 5C 10A 10B 10C 4A 4B 4C 7A 7B 7C 1A 1B 1C Factors Strain:N/A | Sample type:Media Only Strain:N/A | Sample type:Media Only Strain:N/A | Sample type:Media Only Strain:nos complement | Sample type:Supernatant Strain:nos complement | Sample type:Supernatant Strain:nos complement | Sample type:Supernatant Strain:nos complement | Sample type:Whole Cells Strain:nos complement | Sample type:Whole Cells Strain:nos complement | Sample type:Whole Cells Strain:nos mutant | Sample type:Supernatant Strain:nos mutant | Sample type:Supernatant Strain:nos mutant | Sample type:Supernatant Strain:nos mutant | Sample type:Whole Cells Strain:nos mutant | Sample type:Whole Cells Strain:nos mutant | Sample type:Whole Cells Strain:nos SrrAB mutant nos complement | Sample type:Supernatant Strain:nos SrrAB mutant nos complement | Sample type:Supernatant Strain:nos SrrAB mutant nos complement | Sample type:Supernatant Strain:nos SrrAB mutant nos complement | Sample type:Whole Cells Strain:nos SrrAB mutant nos complement | Sample type:Whole Cells Strain:nos SrrAB mutant nos complement | Sample type:Whole Cells Strain:nos SrrAB mutant | Sample type:Supernatant Strain:nos SrrAB mutant | Sample type:Supernatant Strain:nos SrrAB mutant | Sample type:Supernatant Strain:nos SrrAB mutant | Sample type:Whole Cells Strain:nos SrrAB mutant | Sample type:Whole Cells Strain:nos SrrAB mutant | Sample type:Whole Cells Strain:SrrAB mutant | Sample type:Supernatant Strain:SrrAB mutant | Sample type:Supernatant Strain:SrrAB mutant | Sample type:Supernatant Strain:SrrAB mutant | Sample type:Whole Cells Strain:SrrAB mutant | Sample type:Whole Cells Strain:SrrAB mutant | Sample type:Whole Cells Strain:Wildtype | Sample type:Supernatant Strain:Wildtype | Sample type:Supernatant Strain:Wildtype | Sample type:Supernatant Strain:Wildtype | Sample type:Whole Cells Strain:Wildtype | Sample type:Whole Cells Strain:Wildtype | Sample type:Whole Cells _3_HBA 5.5241 5.6545 5.6357 5.5829 5.9958 4.7598 6.0024 6.1376 5.5523 5.7402 6.1355 6.1201 5.8569 6.7497 5.6599 5.9314 5.8641 5.5581 a-KG 4.3326 4.5183 4.8542 22.4101 21.0878 18.4497 0.6103 0.6640 0.5916 6.6459 6.6344 1.5644 0.3419 0.3433 0.2656 36.3251 30.6853 15.7192 0.7527 0.7260 0.6502 5.8091 6.3691 5.6087 0.6493 15.0305 16.7140 1.9567 0.5869 0.7709 0.4113 36.1895 41.2621 23.7874 0.6463 0.5007 0.8962 Citrate 503.3350 610.4093 582.3675 254.8425 265.3175 242.5074 1.1864 0.9698 1.1605 302.6374 432.2450 213.2594 1.3186 1.0118 0.6780 492.2766 371.2404 342.8138 3.0173 4.7297 1.7365 532.0421 575.3586 523.2244 1.2296 2.9854 370.9587 253.4779 155.0940 2.4567 0.8020 1.4900 510.2192 445.6548 308.5298 1.2306 1.3247 1.7442 Fumarate 3.1885 3.0605 3.1578 5.1266 7.8427 4.9588 0.1340 0.1004 0.0960 5.9718 5.6358 1.8059 0.8670 0.5514 0.4039 13.4503 14.8414 5.7039 0.7643 0.7210 0.3904 6.6230 7.6264 5.7953 53.2835 42.5081 12.2177 4.5847 4.6695 1.3258 4.7091 16.2311 1.8923 0.1644 0.2360 0.3072 Lactate 331.5912 338.6599 353.9449 27.0604 32.0826 20.3265 38.9028 39.1555 38.6664 24.5194 37.1413 9.8588 21.9418 20.4040 14.0274 36.9520 36.1557 24.6584 36.4509 31.0642 31.6806 3832.6960 4596.3791 3822.9296 35.5823 26.4533 40.7514 23.9504 27.6640 7.0603 16.3109 13.5821 13.2015 28.9167 88.6651 23.3656 41.0931 30.8236 37.5867 Malate 61.7800 60.4838 62.9903 7.2061 9.5897 6.1202 3.4162 2.8848 3.0735 10.7650 10.7290 3.3669 11.4954 7.4147 5.6013 17.3808 19.5231 7.8302 11.3584 10.9392 6.7354 44.4326 48.7054 45.4736 0.4690 0.8060 123.1619 84.4299 38.0474 54.4511 50.2555 21.4669 4.4728 23.4496 2.2522 3.7742 4.2678 7.0519 Pyruvate 56.8262 52.7356 66.7667 1.8814 1.8388 1.6205 1.4894 0.3901 0.9116 1.4316 1.5456 0.8240 2.2786 0.5329 1.4987 2.3762 2.4395 1.6544 2.0356 1.2151 1.1341 5.9319 8.1439 5.6665 1.1386 0.8487 3.0770 1.9345 1.9792 0.8911 1.7595 0.5690 1.4840 1.7622 2.9170 1.8756 1.3587 0.3317 1.7026 Succinate 121.3731 124.3330 117.5775 57.3066 53.3149 67.2460 82.5177 117.6621 83.2311 136.6196 150.9874 86.4595 138.5610 204.2486 80.2095 140.1694 125.1206 88.9833 200.6467 188.9402 204.8148 125.7565 151.7773 142.2901 7.4989 7.2277 11.9451 96.6163 78.6215 51.7096 195.6718 509.5600 164.6309 58.2429 141.1121 38.1909 90.7949 167.9007 214.0739 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 _3_HBA 210.1, 91.153 4.21 UFLORIDA_MS_RI 441 C01089 UFLORIDA_FEATURE a-KG 462.2, 91.2 6.59 UFLORIDA_MS_RI 51 C00026 UFLORIDA_FEATURE Citrate 508.25, 385 5.95 UFLORIDA_MS_RI 311 C00158 UFLORIDA_FEATURE Fumarate 327.1, 91.192 5.59 UFLORIDA_MS_RI 444972 C00122 UFLORIDA_FEATURE Lactate 196.1, 91.062 3.98 UFLORIDA_MS_RI 107689 C00186 UFLORIDA_FEATURE Malate 345.1, 91.18 5.28 UFLORIDA_MS_RI 222656 C00149 UFLORIDA_FEATURE Pyruvate 299.1, 91.186 6.68 UFLORIDA_MS_RI 1060 C00022 UFLORIDA_FEATURE Succinate 329.1, 206.233 5.44 UFLORIDA_MS_RI 1110 C00042 UFLORIDA_FEATURE METABOLITES_END #END