{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001149","ANALYSIS_ID":"AN001896","VERSION":"1","CREATED_ON":"March 18, 2019, 7:59 am"},

"PROJECT":{"PROJECT_TITLE":"Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required for Parasite Membrane Homeostasis","PROJECT_TYPE":"LC-MS Metabolomics","PROJECT_SUMMARY":"Hydrophilic LC-MS analysis of PfNCR1 Targeting compounds as part of functional validation of publication","INSTITUTE":"Pennsylvania State University","DEPARTMENT":"BMB","LABORATORY":"Llinás Laboratory","LAST_NAME":"Llinás","FIRST_NAME":"Manuel","ADDRESS":"W-122 Millennium Science Complex, Pollock Road, University Park, PA 16802","EMAIL":"manuel@psu.edu","PHONE":"Office: (814) 867-3444, Lab: (814) 867-3527","PUBLICATIONS":"Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required for Parasite Membrane Homeostasis","CONTRIBUTORS":"Eva S. Istvan, Sudipta Das, Suyash Bhatnagar, Josh R. Beck, Edward Owen, Manuel Llinás, Suresh M. Ganesan, Jacquin C. Niles, Elizabeth A. Winzeler, Akhil B. Vaidya, Daniel E. Goldberg"},

"STUDY":{"STUDY_TITLE":"Plasmodium Niemann-Pick Type C1-Related Protein is a Druggable Target Required for Parasite Membrane Homeostasis","STUDY_TYPE":"Drug Exposure","STUDY_SUMMARY":"Metabolic examination/confirmation of resistance mutations and GFP tagging observed in study","INSTITUTE":"Pennsylvania State University","DEPARTMENT":"BMB","LABORATORY":"Llinás Laboratory","LAST_NAME":"Llinás","FIRST_NAME":"Manuel","ADDRESS":"W-122 Millennium Science Complex, Pollock Road","EMAIL":"eso5005@psu.edu","PHONE":"8148673527"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Plasmodium Falciparum","TAXONOMY_ID":"5833"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"ATQ-20180530",
"Factors":{"Drug treatment":"Atovaquone, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"MMV009108-20180530",
"Factors":{"Drug treatment":"MMV009108, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"MMV019662-20180530",
"Factors":{"Drug treatment":"MMV019662, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"MMV028038-20180530",
"Factors":{"Drug treatment":"MMV028038, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"ND-20180530",
"Factors":{"Drug treatment":"Untreated, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"ATQ-20181025",
"Factors":{"Drug treatment":"Atovaquone, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"MMV028038-20181025",
"Factors":{"Drug treatment":"MMV028038, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"ND-20181025",
"Factors":{"Drug treatment":"Untreated, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"ATQ-MB1",
"Factors":{"Drug treatment":"Atovaquone, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Original"}
},
{
"Subject ID":"-",
"Sample ID":"MMV019662-MB1",
"Factors":{"Drug treatment":"MMV019662, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Archival data from Study ID: ST000441"}
},
{
"Subject ID":"-",
"Sample ID":"ND-MB1",
"Factors":{"Drug treatment":"Untreated, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Archival data from Study ID: ST000441"}
},
{
"Subject ID":"-",
"Sample ID":"ATQ-MB2",
"Factors":{"Drug treatment":"Atovaquone, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Archival data from Study ID: ST000441"}
},
{
"Subject ID":"-",
"Sample ID":"MMV009108-MB2",
"Factors":{"Drug treatment":"MMV009108, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Archival data from Study ID: ST000441"}
},
{
"Subject ID":"-",
"Sample ID":"ND-MB2",
"Factors":{"Drug treatment":"Untreated, 2.5 hours"},
"Additional sample data":{"Input material":"3x Technical Replicates of 1x10^8 MACS seperated trophozoite-infected cells","Data presented":"Peak Area Post-blank Subtraction","Data Source":"Archival data from Study ID: ST000441"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Aspiration of 4 mL media, transfer of sample (1 mL) to 1.5 mL tubes, centrifugation, removal of supernatant, PBS wash, centrifugation, and extraction via 90% methanol with labelled aspartate.","COLLECTION_PROTOCOL_FILENAME":"Metabolite_Extraction_for_LCMS_2017_Llinas.pdf","SAMPLE_TYPE":"Cultured cells","COLLECTION_METHOD":"Aspiration of 4 mL media, transfer of sample (1 mL) to 1.5 mL tubes","COLLECTION_LOCATION":"Biological safety hood","COLLECTION_FREQUENCY":"once after 2.5 hours treatment","COLLECTION_DURATION":"Collection and extraction occurs in under 20 minutes per plate","VOLUMEORAMOUNT_COLLECTED":"1 mL containing 1x10^8 infected cells","STORAGE_CONDITIONS":"On ice","COLLECTION_VIALS":"1.5 mL eppendorf","STORAGE_VIALS":"1.5 mL eppendorf"},

"TREATMENT":{"TREATMENT_SUMMARY":"Infected Red Blood cells were exposed to Antimalarial Compounds, associated with sample names. All samples were treated with 10xIC50 of a compound for 2.5 hours or left untreated for 2.5 hours.","TREATMENT_PROTOCOL_ID":"Metabolite_Extraction_for_LCMS_2017_Llinas","TREATMENT_PROTOCOL_FILENAME":"Metabolite_Extraction_for_LCMS_2017_Llinas.pdf","TREATMENT":"Abiotic","TREATMENT_COMPOUND":"ATQ, MMV009108, MMV019662, MMV028038","TREATMENT_ROUTE":"Addition to media","TREATMENT_DOSE":"10xIC50, 2-10xIC50 for archival data","TREATMENT_DOSEVOLUME":"Always equal to or less than 10 uL per 5 mL sample","TREATMENT_DOSEDURATION":"2.5 hours","TREATMENT_VEHICLE":"Stocks kept in either DMSO or Water","CELL_STORAGE":"Temperature/Gas Mixture controlled incubator","CELL_GROWTH_CONTAINER":"6-well plate","CELL_GROWTH_CONFIG":"5 mL per well, each with 1x10^8 cells","CELL_MEDIA":"RPMI 1640 w/ Albumax, Gentamycin, Hypoxanthine, HEPES, Sodium Bicarbonate","CELL_HARVESTING":"PBS Wash followed by 90% methanol extraction"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples washed in PBS, spun down, aspirated, extracted in 90% methanol with labelled aspartate, then dried, resuspended in water labelled with chlorpropamide","SAMPLEPREP_PROTOCOL_FILENAME":"Metabolite_Extraction_for_LCMS_2017_Llinas.pdf","PROCESSING_METHOD":"Wash, Lysis, Drying, resuspension","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"90% Methanol Lysis","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"100 uL water with chlorpropamide","SAMPLE_SPIKING":"Labelled Aspartate, Chlorpropamide"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Normal phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"XSelect T3 XP Column Reversed-Phase 2.5 µm Spherical Silica (2.1 mm x 100 mm)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Blank subtraction, RSD cutoffs both by RSD per sample and pooled QCs to eliminate metabolites affected by time-dependency"},

"MS_METABOLITE_DATA":{
"Units":"Peak Area Post-Blank Subtraction",

"Data":[false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false,false],

"Metabolites":[{"Metabolite":"2_3-Diphosphoglyceric acid","quantified m/z":"264.952","rtimes":"14.68","formula":"C3H8O10P2"},{"Metabolite":"2-dehydro-D-gluconate","quantified m/z":"193.0354","rtimes":"5","formula":"C6H10O7"},{"Metabolite":"2-Hydroxy-2-methylbutanedioic acid","quantified m/z":"147.03385","rtimes":"12.06","formula":"C5H8O5"},{"Metabolite":"3-phosphoglycerate","quantified m/z":"184.9857","rtimes":"13.58","formula":"C3H7O7P"},{"Metabolite":"3-phospho-serine","quantified m/z":"184.0017","rtimes":"8.2","formula":"C3H8NO6P"},{"Metabolite":"4-aminobutyrate","quantified m/z":"102.0561","rtimes":"4","formula":"C4H9NO2"},{"Metabolite":"4-phosphopantetheine","quantified m/z":"357.089","rtimes":"13.3","formula":"C11H23N2O7PS"},{"Metabolite":"4-phosphopantothenate","quantified m/z":"300.08429","rtimes":"13.94","formula":"C9H18NO8P"},{"Metabolite":"4-Pyridoxic acid","quantified m/z":"182.0459","rtimes":"14.14","formula":"C8H9NO4"},{"Metabolite":"5-phosphoribosyl-1-pyrophosphate","quantified m/z":"388.9446","rtimes":"15.13","formula":"C5H13O14P3"},{"Metabolite":"6-phospho-D-gluconate","quantified m/z":"275.0174","rtimes":"13.38","formula":"C6H13O10P"},{"Metabolite":"acetyl-aspartate","quantified m/z":"174.0408","rtimes":"13","formula":"C6H9NO5"},{"Metabolite":"acetyl-CoA","quantified m/z":"808.1184","rtimes":"15.46","formula":"C23H38N7O17P3S"},{"Metabolite":"Acetyllysine","quantified m/z":"187.1088","rtimes":"1.1","formula":"C8H16N2O3"},{"Metabolite":"aconitate","quantified m/z":"173.0092","rtimes":"7.32","formula":"C6H6O6"},{"Metabolite":"ADP-D-glucose","quantified m/z":"588.075","rtimes":"13.72","formula":"C16H25N5O15P2"},{"Metabolite":"a-ketoglutarate","quantified m/z":"145.0143","rtimes":"13.13","formula":"C5H6O5"},{"Metabolite":"alanine/sarcosine","quantified m/z":"88.0404","rtimes":"1","formula":"C3H7NO2"},{"Metabolite":"arginine","quantified m/z":"173.1044","rtimes":"0.87","formula":"C6H14N4O2"},{"Metabolite":"asparagine","quantified m/z":"131.0462","rtimes":"1.15","formula":"C4H8N2O3"},{"Metabolite":"aspartate","quantified m/z":"132.0302","rtimes":"4.28","formula":"C4H7NO4"},{"Metabolite":"CDP","quantified m/z":"402.0109","rtimes":"13.53","formula":"C9H15N3O11P2"},{"Metabolite":"CDP-choline","quantified m/z":"487.1","rtimes":"6.53","formula":"C14H26N4O11P2"},{"Metabolite":"CDP-ethanolamine","quantified m/z":"445.0531","rtimes":"6.38","formula":"C11H20N4O11P2"},{"Metabolite":"citrate/isocitrate","quantified m/z":"191.0197","rtimes":"13.13","formula":"C6H8O7"},{"Metabolite":"CMP","quantified m/z":"322.0446","rtimes":"8.61","formula":"C9H14N3O8P"},{"Metabolite":"coenzyme A","quantified m/z":"766.108","rtimes":"15.93","formula":"C21H36N7O16P3S"},{"Metabolite":"CTP","quantified m/z":"481.9772","rtimes":"14.75","formula":"C9H16N3O14P3"},{"Metabolite":"cyclic-AMP","quantified m/z":"328.0452","rtimes":"12.97","formula":"C10H12N5O6P"},{"Metabolite":"cytidine","quantified m/z":"242.0782","rtimes":"1.2","formula":"C9H13N3O5"},{"Metabolite":"dAMP","quantified m/z":"330.0609","rtimes":"12","formula":"C10H14N5O6P"},{"Metabolite":"dATP","quantified m/z":"489.9936","rtimes":"14.82","formula":"C10H16N5O12P3"},{"Metabolite":"dCDP","quantified m/z":"386.016","rtimes":"13.58","formula":"C9H15N3O10P2"},{"Metabolite":"dCMP","quantified m/z":"306.0497","rtimes":"9.8","formula":"C9H14N3O7P"},{"Metabolite":"dCTP","quantified m/z":"465.9823","rtimes":"14.8","formula":"C9H16N3O13P3"},{"Metabolite":"dGDP/ADP","quantified m/z":"426.0222","rtimes":"14","formula":"C10H15N5O10P2"},{"Metabolite":"D-gluconate","quantified m/z":"195.051","rtimes":"5","formula":"C6H12O7"},{"Metabolite":"dGMP/AMP","quantified m/z":"346.0558","rtimes":"11","formula":"C10H14N5O7P"},{"Metabolite":"dGTP/ATP","quantified m/z":"505.9885","rtimes":"14.77","formula":"C10H16N5O13P3"},{"Metabolite":"dihydroorotate","quantified m/z":"157.0255","rtimes":"5.88","formula":"C5H6N2O4"},{"Metabolite":"dihydroxy-acetone-phosphate","quantified m/z":"168.9908","rtimes":"9","formula":"C3H7O6P"},{"Metabolite":"DLH","quantified m/z":"382.1732","rtimes":"3.73","formula":"C16H25N5O6"},{"Metabolite":"DL-Pipecolic Acid","quantified m/z":"128.0717","rtimes":"1.2","formula":"C6H11NO2"},{"Metabolite":"DLS","quantified m/z":"332.1463","rtimes":"11.46","formula":"C13H23N3O7"},{"Metabolite":"D-sedoheptulose-1/7-phosphate","quantified m/z":"289.033","rtimes":"7.29","formula":"C7H15O10P"},{"Metabolite":"dTDP","quantified m/z":"401.0157","rtimes":"14.41","formula":"C10H16N2O11P2"},{"Metabolite":"dTMP","quantified m/z":"321.0493","rtimes":"11.27","formula":"C10H15N2O8P"},{"Metabolite":"dTTP","quantified m/z":"480.982","rtimes":"14.75","formula":"C10H17N2O14P3"},{"Metabolite":"dUTP","quantified m/z":"466.9663","rtimes":"14.81","formula":"C9H15N2O14P3"},{"Metabolite":"FAD","quantified m/z":"784.1499","rtimes":"15","formula":"C27H33N9O15P2"},{"Metabolite":"FMN","quantified m/z":"455.0973","rtimes":"14.54","formula":"C17H21N4O9P"},{"Metabolite":"folate","quantified m/z":"440.1324","rtimes":"13.99","formula":"C19H19N7O6"},{"Metabolite":"fructose-1-6-bisphosphate","quantified m/z":"338.9888","rtimes":"15.05","formula":"C6H14O12P2"},{"Metabolite":"fructose-6-phosphate","quantified m/z":"259.0225","rtimes":"7.98","formula":"C6H13O9P"},{"Metabolite":"fumarate","quantified m/z":"115.0037","rtimes":"13.49","formula":"C4H4O4"},{"Metabolite":"GDP","quantified m/z":"442.017","rtimes":"13.9","formula":"C10H15N5O11P2"},{"Metabolite":"glucono-lactone","quantified m/z":"177.0405","rtimes":"6.9","formula":"C6H10O6"},{"Metabolite":"glutamate","quantified m/z":"146.0459","rtimes":"3.26","formula":"C5H9NO4"},{"Metabolite":"glutamine","quantified m/z":"145.0619","rtimes":"1.17","formula":"C5H10N2O3"},{"Metabolite":"glutathione disulfide","quantified m/z":"611.1447","rtimes":"12.94","formula":"C20H32N6O12S2"},{"Metabolite":"glycerate","quantified m/z":"105.0193","rtimes":"6.35","formula":"C3H6O4"},{"Metabolite":"GMP","quantified m/z":"362.0507","rtimes":"11.04","formula":"C10H14N5O8P"},{"Metabolite":"GTP","quantified m/z":"521.9834","rtimes":"14.95","formula":"C10H16N5O14P3"},{"Metabolite":"guanine","quantified m/z":"150.0421","rtimes":"3.4","formula":"C5H5N5O"},{"Metabolite":"guanosine","quantified m/z":"282.0844","rtimes":"4","formula":"C10H13N5O5"},{"Metabolite":"histidine","quantified m/z":"154.0622","rtimes":"0.87","formula":"C6H9N3O2"},{"Metabolite":"HVDD","quantified m/z":"484.1923","rtimes":"9.83","formula":"C19H29N6O9"},{"Metabolite":"hydroxyproline/Aminolevulinate","quantified m/z":"130.051","rtimes":"1.15","formula":"C5H9NO3"},{"Metabolite":"hypoxanthine","quantified m/z":"135.0312","rtimes":"1.18","formula":"C5H4N4O"},{"Metabolite":"IMP","quantified m/z":"347.0398","rtimes":"11.58","formula":"C10H13N4O8P"},{"Metabolite":"inosine","quantified m/z":"267.0735","rtimes":"3.5","formula":"C10H12N4O5"},{"Metabolite":"isoleucine","quantified m/z":"130.0874","rtimes":"2.22","formula":"C6H13NO2"},{"Metabolite":"Isopentyl-PP","quantified m/z":"317.0925","rtimes":"15.06","formula":"C10H24O7P2"},{"Metabolite":"lactate","quantified m/z":"89.0244","rtimes":"7.28","formula":"C3H6O3"},{"Metabolite":"L-arginino-succinate","quantified m/z":"289.1154","rtimes":"3.25","formula":"C10H18N4O6"},{"Metabolite":"LD","quantified m/z":"245.1143","rtimes":"8.65","formula":"C10H18N2O5"},{"Metabolite":"leucine","quantified m/z":"130.0874","rtimes":"2.6","formula":"C6H13NO2"},{"Metabolite":"lysine","quantified m/z":"145.0983","rtimes":"0.85","formula":"C6H14N2O2"},{"Metabolite":"malate","quantified m/z":"133.0142","rtimes":"13.68","formula":"C4H6O5"},{"Metabolite":"maleic acid","quantified m/z":"115.0037","rtimes":"12.71","formula":"C4H4O4"},{"Metabolite":"methionine","quantified m/z":"148.0438","rtimes":"1.77","formula":"C5H11NO2S"},{"Metabolite":"myo-inositol","quantified m/z":"179.0561","rtimes":"7.2","formula":"C6H12O6"},{"Metabolite":"Myristoyl/tetradecanoyl-CoA","quantified m/z":"976.3063","rtimes":"21.8","formula":"C35H62N7O17P3S"},{"Metabolite":"N-acetyl-glucosamine-1/6-phosphate","quantified m/z":"300.049","rtimes":"7.3","formula":"C8H16NO9P"},{"Metabolite":"N-acetyl-glutamate","quantified m/z":"188.0564","rtimes":"13.37","formula":"C7H11NO5"},{"Metabolite":"N-acetyl-glutamine","quantified m/z":"187.0724","rtimes":"6.26","formula":"C7H12N2O4"},{"Metabolite":"N-Acetyl-L-alanine","quantified m/z":"130.051","rtimes":"8.41","formula":"C5H9NO3"},{"Metabolite":"N-acetyl-L-ornithine","quantified m/z":"173.0932","rtimes":"1.21","formula":"C7H14N2O3"},{"Metabolite":"NAD+","quantified m/z":"662.1019","rtimes":"9.16","formula":"C21H27N7O14P2"},{"Metabolite":"NADH","quantified m/z":"664.1175","rtimes":"14.14","formula":"C21H29N7O14P2"},{"Metabolite":"NADP+","quantified m/z":"742.0682","rtimes":"13.87","formula":"C21H28N7O17P3"},{"Metabolite":"NADPH","quantified m/z":"744.0838","rtimes":"14.87","formula":"C21H30N7O17P3"},{"Metabolite":"N-carbamoyl-L-aspartate","quantified m/z":"175.036","rtimes":"12.25","formula":"C5H8N2O5"},{"Metabolite":"nicotinamide mononucleotide","quantified m/z":"333.0493","rtimes":"1.71","formula":"C11H15N2O8P"},{"Metabolite":"nicotinate","quantified m/z":"122.0248","rtimes":"11.2","formula":"C6H5NO2"},{"Metabolite":"Octulose 8/1P","quantified m/z":"319.0436","rtimes":"6","formula":"C8H17O11P"},{"Metabolite":"Octulose Bisphosphate","quantified m/z":"399.0099","rtimes":"13.64","formula":"C8H18O14P2"},{"Metabolite":"orotate","quantified m/z":"155.0098","rtimes":"8.66","formula":"C5H4N2O4"},{"Metabolite":"orotidine-5'-phosphate","quantified 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}

}