{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002104","ANALYSIS_ID":"AN003440","VERSION":"1","CREATED_ON":"March 15, 2022, 8:24 am"},

"PROJECT":{"PROJECT_TITLE":"Chemoresistant Cancer Cell Lines are Characterized by Migratory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations","PROJECT_TYPE":"untargeted LCMS metabolomics of ovarian cell lines OVCAR5 and CaOV3 and their respective carboplatin resistant GO lines","PROJECT_SUMMARY":"Chemoresistance remains the major barrier to effective ovarian cancer treatment. The molecular features and associated biological functions of this phenotype remain poorly understood. We developed carboplatin resistant cell line models using OVCAR5 and CaOV3 cell lines with the aim of identifying chemoresistance-specific molecular features. Chemotaxis and CAM invasion assays revealed enhanced migratory and invasive potential in OVCAR5 resistant, compared to parental cells lines. Mass spectrometry analysis was used to analyse the proteome and metabolome of these cell lines and was able to separate these populations based on their molecular features. It revealed signalling and metabolic perturbations in chemoresistant cell lines. Comparison with the proteome of patient derived primary ovarian cancer cells grown in culture showed a shared dysregulation of cytokine and type 1 interferon signalling, potentially revealing a common molecular feature of chemoresistance. A comprehensive analysis of a larger patient cohort, including advanced in vitro and in vivo models, promises to help better understand the molecular mechanisms of chemoresistance and associated enhancement of migration and invasion.","INSTITUTE":"Future Industries Institute","LABORATORY":"Manuela Klingler-Hoffmann","LAST_NAME":"Acland","FIRST_NAME":"Mitchell","ADDRESS":"X Building, Mawson Lakes South Australia 5095","EMAIL":"mitch.acland@gmail.com","PHONE":"48671141","PUBLICATIONS":"Chemoresistant Cancer Cell Lines are Characterized by Migratory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations","CONTRIBUTORS":"Mitchell Acland, Noor A. Lokman, Clifford Young, Dovile Anderson, Mark Condina, Chris Desire, Tannith M. Noye, Wanqi Wang, Carmela Ricciardelli, Darren J. Creek, Martin K. Oehler, Peter Hoffmann and Manuela Klingler-Hoffmann"},

"STUDY":{"STUDY_TITLE":"Chemoresistant Cancer Cell Lines are Characterized by Migratory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations","STUDY_TYPE":"Biomedical research","STUDY_SUMMARY":"Our analysis was able to separate chemoresistant cells from their parental cells based on their metabolomic and proteomic features and identified altered biological processes and pathways which are of further interest. Preliminary investigation of patient-derived cells highlighted the need to perform broad biological and molecular analyses, compre-hensive in vitro and in vivo studies, using a larger patient cohort to achieve a deeper and clinically relevant characterization of the molecular drivers of chemoresistance.","INSTITUTE":"Future Industries Institute","LABORATORY":"Manuela Klingler-Hoffmann","LAST_NAME":"Acland","FIRST_NAME":"Mitchell","ADDRESS":"X Building, Mawson Lakes South Australia 5095","EMAIL":"mitch.acland@gmail.com","PHONE":"0448671141","NUM_GROUPS":"4","TOTAL_SUBJECTS":"12","NUM_MALES":"NA","NUM_FEMALES":"NA","STUDY_COMMENTS":"OVCAR5 and CaOV3 cell lines and their carboplatin resistant cell lines","PUBLICATIONS":"Chemoresistant Cancer Cell Lines are Characterized by Migra-tory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","GENOTYPE_STRAIN":"OVCAR-5 and CaOV3 cell lines","GENDER":"Not applicable","CELL_BIOSOURCE_OR_SUPPLIER":"CaOV3 was purchased from the American Type Culture Collection (ATCC, Manassas, VA, USA). OVCAR-5 cell line obtained from Dr. Thomas Hamilton (Fox Chase Cancer Centre, Philadelphia, PA)."},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Blank_1",
"Factors":{"conditions":"Extraction blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_1"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_2",
"Factors":{"conditions":"Extraction blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_2"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_3",
"Factors":{"conditions":"Extraction blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_3"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_CBPR_1",
"Factors":{"conditions":"CaOV3 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_CBPR_1"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_CBPR_2",
"Factors":{"conditions":"CaOV3 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_CBPR_2"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_CBPR_3",
"Factors":{"conditions":"CaOV3 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_CBPR_3"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_Parent_1",
"Factors":{"conditions":"CaOV3 cell line"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_Parent_1"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_Parent_2",
"Factors":{"conditions":"CaOV3 cell line"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_Parent_2"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_Parent_3",
"Factors":{"conditions":"CaOV3 cell line"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_Parent_3"}
},
{
"Subject ID":"-",
"Sample ID":"DMEM_IST_1",
"Factors":{"conditions":"culture media for CaOV3"},
"Additional sample data":{"RAW_FILE_NAME":"DMEM_IST_1"}
},
{
"Subject ID":"-",
"Sample ID":"DMEM_IST_2",
"Factors":{"conditions":"culture media for CaOV3"},
"Additional sample data":{"RAW_FILE_NAME":"DMEM_IST_2"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_CBPR_1",
"Factors":{"conditions":"OVCAR5 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_CBPR_1"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_CBPR_2",
"Factors":{"conditions":"OVCAR5 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_CBPR_2"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_CBPR_3",
"Factors":{"conditions":"OVCAR5 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_CBPR_3"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_Parent_1",
"Factors":{"conditions":"OVCAR5_cell line"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_Parent_1"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_Parent_2",
"Factors":{"conditions":"OVCAR5_cell line"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_Parent_2"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_Parent_3",
"Factors":{"conditions":"OVCAR5_cell line"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_Parent_3"}
},
{
"Subject ID":"-",
"Sample ID":"RPMI_IST_1",
"Factors":{"conditions":"culture media for OVCAR5"},
"Additional sample data":{"RAW_FILE_NAME":"RPMI_IST_1"}
},
{
"Subject ID":"-",
"Sample ID":"RPMI_IST_2",
"Factors":{"conditions":"culture media for OVCAR5"},
"Additional sample data":{"RAW_FILE_NAME":"RPMI_IST_2"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ov_1",
"Factors":{"conditions":"pooled QC"},
"Additional sample data":{"RAW_FILE_NAME":"QC_ov_1"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ov_2",
"Factors":{"conditions":"pooled QC"},
"Additional sample data":{"RAW_FILE_NAME":"QC_ov_2"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ov_3",
"Factors":{"conditions":"pooled QC"},
"Additional sample data":{"RAW_FILE_NAME":"QC_ov_3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cells were maintained at 60-80% confluence for 3 passages before being plated in 10cm dishes. Cell numbers were estimated from an additional dish with the same number of cells at seeding. Media was aspirated and cells were washed three times with 3mL warmed PBS. Metabolic arrest was achieved through the addition of approximately 2 mL of liquid nitrogen directly to cells ensuring that the surface of the plate was covered before plates were placed onto dry ice.","SAMPLE_TYPE":"Cultured cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"OVCAR-5 and CaOV3 cells were made resistant to carboplatinumv (CBP) after treatment with 6-8 cycles of CBP (50μM, Hospira Australia, Pty Ltd). Resistance to CBP was measured regularly and CBPR cell lines were seen to be at least two-fold more resistant to CBP than their parental partners through the following experiments.","TREATMENT_COMPOUND":"50μM carboplatinum, Hospira Australia, Pty Ltd","TREATMENT_ROUTE":"in culture media","TREATMENT_DOSE":"6-8 cycles of CBP 50μM"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Media was aspirated and cells were washed three times with 3mL warmed PBS. Metabol-ic arrest was achieved through the addition of approximately 2 mL of liquid nitrogen di-rectly to cells ensuring that the surface of the plate was covered before plates were placed onto dry ice. Metabolite extraction was achieved through the addition of 1mL 100% ice cold methanol. Cells were lifted off of the plate using an ice cold cell scraper and transferred to a 2mL Eppendorf. An additional 1mL of 100% ice cold methanol was added be-fore snap freezing by immersion in liquid nitrogen for 3 minutes. This was followed by thawing on dry ice and vortexing to resuspend contents. Freeze/thaw process was repeat-ed 5 times to ensure full extraction of metabolites. Samples were centrifuged at 16000g at -9⁰C for 5 minutes and the supernatant was retained. The pellet was resuspended in 500uL of 100% ice cold methanol and freeze/thaw in liquid nitrogen was repeated 5 times. This sample was centrifuged at 16000g at -9⁰C for 5 minutes and the supernatant was retained and combined with previously retained supernatant. The samples were then dried in a SpeedVac Vacuum Concentrator (John Morris Scientific, RVC 2-18) at room temperature, with vacuum of 40mbar and rotor speed of 1000min-1. Before data acquisition samples were resuspended in appropriate volumes of methanol as per cell number.","PROCESSING_STORAGE_CONDITIONS":"-80℃","EXTRACTION_METHOD":"MeOH","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"MeOH"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"LCMS data was acquired on Q-Exactive Orbitrap mass spectrometer (Thermo Fisher) coupled with high-performance liquid chromatography (HPLC) system Dionex Ultimate® 3000 RS (Thermo Fisher). Chromatographic separation was performed on a ZIC-pHILIC column (5 µm, polymeric, 150 × 4.6 mm, SeQuant®, Merck). The mobile phase (A) was 20 mM ammonium carbonate and (B) acetonitrile. The gradient program started at 80% B and was reduced to 50% B over 15 min, then reduced from 50% B to 5% B over 3 min, followed by wash with 5% B for another 3 min, and finally 8 min re-equilibration with 80% B. The flow rate was 0.3 mL/min and column compartment temperature was 40ºC. The total run time was 32 min with an injection sample volume of 10 µL.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000 RS","COLUMN_NAME":"SeQuant ZIC-pHILIC (150 x 4.2 mm, 5 um)","FLOW_GRADIENT":"0 min - 80%B, 15 min - 50%B, 18 min - 5%B, 21 min - 5%B, 24 min - 80%B, 32 min - 80%B","FLOW_RATE":"0.3 ml/min","COLUMN_TEMPERATURE":"25 C","METHODS_FILENAME":"Metabolomics_pHILIC_Parkville_v1.meth","SOLVENT_A":"20 mM ammonium formate","SOLVENT_B":"acetonitrile","COLUMN_PRESSURE":"60 bar at starting conditions","INJECTION_TEMPERATURE":"4 C","INTERNAL_STANDARD":"CAPS, CHAPS, PIPES","SAMPLE_INJECTION":"10 uL","ANALYTICAL_TIME":"32 min","CAPILLARY_VOLTAGE":"3.5 kV","OVEN_TEMPERATURE":"25 C","WASHING_BUFFER":"syringe wash 50% IPA","WEAK_WASH_SOLVENT_NAME":"10% MeOH","STRONG_WASH_SOLVENT_NAME":"10% MeOH","SAMPLE_LOOP_SIZE":"25 uL","SAMPLE_SYRINGE_SIZE":"25 uL"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Monash Proteomics and Metabolomics Facility","OPERATOR_NAME":"Dovile Anderson","DETECTOR_TYPE":"Full scan","SOFTWARE_VERSION":"XCalibur","ACQUISITION_DATE":"04/06/2021","ANALYSIS_PROTOCOL_FILE":"PQMS3-MBPF-WIN-0501_analysis.pdf","ACQUISITION_PARAMETERS_FILE":"Metabolomics_pHILIC_Parkville_v1.pdf","DATA_FORMAT":".RAW"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Mass spectrometer operated in full scan mode with positive and negative polarity switching at 35000 resolution at 200 m/z with detection range of 85 to 1, 275 m/z in full scan mode. Electro-spray ionization source (HESI) was set to 3.5 kV voltage for positive mode and 4.0 kV for negative mode, sheath gas was set to 50 and aux gas to 20 arbitrary units, capillary temperature 300 °C, probe heater temperature 120 °C.","CAPILLARY_TEMPERATURE":"300 C","CAPILLARY_VOLTAGE":"3.5 kV","COLLISION_ENERGY":"NA","COLLISION_GAS":"NA","ION_SOURCE_TEMPERATURE":"120 C","MASS_ACCURACY":"1-2 ppm","AUTOMATIC_GAIN_CONTROL":"1e6","DATAFORMAT":"profile"},

"MS_METABOLITE_DATA":{
"Units":"peak height",

"Data":[{"Metabolite":"10-hydroxy-undecanoic acid","Blank_1":"5359379.132","Blank_2":"13556051.36","Blank_3":"17707603.65","CaOV3_CBPR_1":"310929747.9","CaOV3_CBPR_2":"525602947.9","CaOV3_CBPR_3":"401167798.2","CaOV3_Parent_1":"1380851215","CaOV3_Parent_2":"1248365923","CaOV3_Parent_3":"1225089511","DMEM_IST_1":"5851596.819","DMEM_IST_2":"5888252.779","OVCAR5_CBPR_1":"41416498.91","OVCAR5_CBPR_2":"46327237.88","OVCAR5_CBPR_3":"51884637.09","OVCAR5_Parent_1":"144499780.9","OVCAR5_Parent_2":"106635558.3","OVCAR5_Parent_3":"66731412.85","RPMI_IST_1":"370717612.3","RPMI_IST_2":"611417282.3","QC_ov_1":"232422158.8","QC_ov_2":"269231679.9","QC_ov_3":"320097976.3"},{"Metabolite":"sodium dodecyl sulfate","Blank_1":"2712709.088","Blank_2":"2764492.784","Blank_3":"2904459.745","CaOV3_CBPR_1":"43977415.91","CaOV3_CBPR_2":"37112008.6","CaOV3_CBPR_3":"35405191.96","CaOV3_Parent_1":"45009684.07","CaOV3_Parent_2":"49431018.59","CaOV3_Parent_3":"57093317.55","DMEM_IST_1":"4136310560","DMEM_IST_2":"4282376755","OVCAR5_CBPR_1":"660286358.8","OVCAR5_CBPR_2":"699918745.5","OVCAR5_CBPR_3":"300034193.4","OVCAR5_Parent_1":"5692902.218","OVCAR5_Parent_2":"1037312311","OVCAR5_Parent_3":"9435881.101","RPMI_IST_1":"132127799.2","RPMI_IST_2":"142075596.2","QC_ov_1":"214789391.9","QC_ov_2":"228950976.6","QC_ov_3":"227364847.2"},{"Metabolite":"xi-gamma-Undecalactone","Blank_1":"0","Blank_2":"624800.8688","Blank_3":"669290.3193","CaOV3_CBPR_1":"413925759","CaOV3_CBPR_2":"591624013.7","CaOV3_CBPR_3":"548572280.3","CaOV3_Parent_1":"777570870.6","CaOV3_Parent_2":"767128513.7","CaOV3_Parent_3":"823649168.8","DMEM_IST_1":"8290193.423","DMEM_IST_2":"7028207.754","OVCAR5_CBPR_1":"276935926.9","OVCAR5_CBPR_2":"281925119.9","OVCAR5_CBPR_3":"261922528.2","OVCAR5_Parent_1":"313338720.7","OVCAR5_Parent_2":"268647277.5","OVCAR5_Parent_3":"240350768.3","RPMI_IST_1":"629850345.5","RPMI_IST_2":"685582043.7","QC_ov_1":"377150986.4","QC_ov_2":"371659091.7","QC_ov_3":"396220268.3"},{"Metabolite":"Lactic acid","Blank_1":"4188376.629","Blank_2":"7387791.58","Blank_3":"23851387.31","CaOV3_CBPR_1":"1295420049","CaOV3_CBPR_2":"1022579099","CaOV3_CBPR_3":"1015106097","CaOV3_Parent_1":"936012698","CaOV3_Parent_2":"1035652397","CaOV3_Parent_3":"872927569.3","DMEM_IST_1":"110860340.7","DMEM_IST_2":"106462932.7","OVCAR5_CBPR_1":"619078264.7","OVCAR5_CBPR_2":"670266288.3","OVCAR5_CBPR_3":"599246825.3","OVCAR5_Parent_1":"742415090.8","OVCAR5_Parent_2":"762728466","OVCAR5_Parent_3":"768522571.8","RPMI_IST_1":"102430375.5","RPMI_IST_2":"105449026","QC_ov_1":"745715075.3","QC_ov_2":"705258066.9","QC_ov_3":"683862586"},{"Metabolite":"3''-Chloro-3''-deoxytriphasiol","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"55215252.8","CaOV3_CBPR_2":"27833823.93","CaOV3_CBPR_3":"26839425.03","CaOV3_Parent_1":"119568809.9","CaOV3_Parent_2":"142523042.7","CaOV3_Parent_3":"185478407.2","DMEM_IST_1":"108586716.4","DMEM_IST_2":"133728337.2","OVCAR5_CBPR_1":"6094863.401","OVCAR5_CBPR_2":"6050035.176","OVCAR5_CBPR_3":"3883332.593","OVCAR5_Parent_1":"4215336.642","OVCAR5_Parent_2":"4621622.967","OVCAR5_Parent_3":"6432460.542","RPMI_IST_1":"135181757.7","RPMI_IST_2":"157505213.1","QC_ov_1":"14153441.76","QC_ov_2":"15584064.21","QC_ov_3":"18344824.29"},{"Metabolite":"Palmitic acid","Blank_1":"26979841.04","Blank_2":"34737444.17","Blank_3":"38512334.8","CaOV3_CBPR_1":"752279011.7","CaOV3_CBPR_2":"959479917","CaOV3_CBPR_3":"790838611.8","CaOV3_Parent_1":"845097173.9","CaOV3_Parent_2":"953338999.3","CaOV3_Parent_3":"796718627.1","DMEM_IST_1":"1357160518","DMEM_IST_2":"1413144299","OVCAR5_CBPR_1":"756325029.7","OVCAR5_CBPR_2":"646411273.2","OVCAR5_CBPR_3":"679007079.5","OVCAR5_Parent_1":"759840274.9","OVCAR5_Parent_2":"615866597.7","OVCAR5_Parent_3":"764387053.4","RPMI_IST_1":"1350207515","RPMI_IST_2":"1378774944","QC_ov_1":"601210018.6","QC_ov_2":"614150882.7","QC_ov_3":"606892650.9"},{"Metabolite":"alpha-Ketoisovaleric acid","Blank_1":"584309.5732","Blank_2":"824545.6387","Blank_3":"852723.7281","CaOV3_CBPR_1":"197550488.2","CaOV3_CBPR_2":"155128255.3","CaOV3_CBPR_3":"177951953.1","CaOV3_Parent_1":"165672863.6","CaOV3_Parent_2":"180184585.7","CaOV3_Parent_3":"133032518.3","DMEM_IST_1":"1025284.011","DMEM_IST_2":"743226.189","OVCAR5_CBPR_1":"12633534.06","OVCAR5_CBPR_2":"16175229.39","OVCAR5_CBPR_3":"32374786.47","OVCAR5_Parent_1":"29160354.02","OVCAR5_Parent_2":"28333785.39","OVCAR5_Parent_3":"27406812.83","RPMI_IST_1":"1404505.698","RPMI_IST_2":"1357826.733","QC_ov_1":"74002779.33","QC_ov_2":"96112894.5","QC_ov_3":"91451820.81"},{"Metabolite":"Stearic acid","Blank_1":"14587380.81","Blank_2":"16921870.13","Blank_3":"17276256.06","CaOV3_CBPR_1":"602081355.8","CaOV3_CBPR_2":"785432026.9","CaOV3_CBPR_3":"656785669.3","CaOV3_Parent_1":"737611464.5","CaOV3_Parent_2":"784065764.5","CaOV3_Parent_3":"673320931.2","DMEM_IST_1":"1028696852","DMEM_IST_2":"1054372179","OVCAR5_CBPR_1":"643973013.1","OVCAR5_CBPR_2":"528814303","OVCAR5_CBPR_3":"576641615.4","OVCAR5_Parent_1":"638199196","OVCAR5_Parent_2":"483796198.5","OVCAR5_Parent_3":"623046989.7","RPMI_IST_1":"1155111968","RPMI_IST_2":"1153578379","QC_ov_1":"479797800.8","QC_ov_2":"496561706","QC_ov_3":"485670876.8"},{"Metabolite":"2-C-Methyl-D-erythritol 4-phosphate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"251445367.1","CaOV3_CBPR_2":"190026959.7","CaOV3_CBPR_3":"199793914","CaOV3_Parent_1":"346670156.3","CaOV3_Parent_2":"288688723.9","CaOV3_Parent_3":"321627301.6","DMEM_IST_1":"215819220.3","DMEM_IST_2":"970218418.2","OVCAR5_CBPR_1":"116782909.2","OVCAR5_CBPR_2":"114674224","OVCAR5_CBPR_3":"71096942.34","OVCAR5_Parent_1":"10370822.18","OVCAR5_Parent_2":"15983974.7","OVCAR5_Parent_3":"19017947.54","RPMI_IST_1":"991304264.9","RPMI_IST_2":"972657508.4","QC_ov_1":"139443506.4","QC_ov_2":"146836980.2","QC_ov_3":"157878758.7"},{"Metabolite":"Malic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"220267139.6","CaOV3_CBPR_2":"238183572.5","CaOV3_CBPR_3":"272523044.9","CaOV3_Parent_1":"343389461.7","CaOV3_Parent_2":"262090056.5","CaOV3_Parent_3":"292076328.1","DMEM_IST_1":"6121764.982","DMEM_IST_2":"36501031.73","OVCAR5_CBPR_1":"109537224.2","OVCAR5_CBPR_2":"163415441.5","OVCAR5_CBPR_3":"150152813.6","OVCAR5_Parent_1":"47296647.23","OVCAR5_Parent_2":"56274060.77","OVCAR5_Parent_3":"59987549.94","RPMI_IST_1":"22115716.13","RPMI_IST_2":"22019370.88","QC_ov_1":"165195348","QC_ov_2":"153985507.8","QC_ov_3":"142983863.1"},{"Metabolite":"1-Nitrohexane","Blank_1":"3695859.944","Blank_2":"9848628.582","Blank_3":"23787820.81","CaOV3_CBPR_1":"279305836","CaOV3_CBPR_2":"302926853.4","CaOV3_CBPR_3":"304483269.8","CaOV3_Parent_1":"296566583","CaOV3_Parent_2":"326816310.3","CaOV3_Parent_3":"318866797.2","DMEM_IST_1":"135034596.2","DMEM_IST_2":"147444545","OVCAR5_CBPR_1":"91347029.85","OVCAR5_CBPR_2":"87349496.41","OVCAR5_CBPR_3":"82327537.66","OVCAR5_Parent_1":"83791130.39","OVCAR5_Parent_2":"87143597.95","OVCAR5_Parent_3":"88084928.66","RPMI_IST_1":"151075072.7","RPMI_IST_2":"157052788.6","QC_ov_1":"158472660.6","QC_ov_2":"160423267","QC_ov_3":"167275839.2"},{"Metabolite":"tyrosinal","Blank_1":"0","Blank_2":"0","Blank_3":"943811.2407","CaOV3_CBPR_1":"247059511.8","CaOV3_CBPR_2":"238481868.6","CaOV3_CBPR_3":"244898543.9","CaOV3_Parent_1":"272198267.8","CaOV3_Parent_2":"279980362.8","CaOV3_Parent_3":"278803619","DMEM_IST_1":"51832558.19","DMEM_IST_2":"52163983.87","OVCAR5_CBPR_1":"24836812.42","OVCAR5_CBPR_2":"21807257.55","OVCAR5_CBPR_3":"19756866.75","OVCAR5_Parent_1":"17006803.54","OVCAR5_Parent_2":"18722852.29","OVCAR5_Parent_3":"17840422.53","RPMI_IST_1":"57021546.72","RPMI_IST_2":"53400932.06","QC_ov_1":"105919493.1","QC_ov_2":"109708615.5","QC_ov_3":"117445525.5"},{"Metabolite":"5-Dehydro-4-deoxy-D-glucarate","Blank_1":"740676.1688","Blank_2":"620824.6154","Blank_3":"827688.6023","CaOV3_CBPR_1":"48151314.63","CaOV3_CBPR_2":"40170328.54","CaOV3_CBPR_3":"88444638.23","CaOV3_Parent_1":"107716464.1","CaOV3_Parent_2":"128344870.4","CaOV3_Parent_3":"86846497.18","DMEM_IST_1":"67224873.95","DMEM_IST_2":"222967611.2","OVCAR5_CBPR_1":"34446621.12","OVCAR5_CBPR_2":"40298358.92","OVCAR5_CBPR_3":"47256290.71","OVCAR5_Parent_1":"24883089.73","OVCAR5_Parent_2":"37878192.62","OVCAR5_Parent_3":"36400415.59","RPMI_IST_1":"154904390.5","RPMI_IST_2":"178544853.2","QC_ov_1":"39745476.14","QC_ov_2":"37997889.96","QC_ov_3":"37107874.58"},{"Metabolite":"Phenyllactic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2571000.916","CaOV3_CBPR_2":"2591537.085","CaOV3_CBPR_3":"2253762.718","CaOV3_Parent_1":"2923382.092","CaOV3_Parent_2":"2474508.282","CaOV3_Parent_3":"2298793.905","DMEM_IST_1":"1004800.746","DMEM_IST_2":"1063156.829","OVCAR5_CBPR_1":"540107.7605","OVCAR5_CBPR_2":"712415.4726","OVCAR5_CBPR_3":"1369122.561","OVCAR5_Parent_1":"2667789.516","OVCAR5_Parent_2":"2849837.218","OVCAR5_Parent_3":"2823015.414","RPMI_IST_1":"1241174.135","RPMI_IST_2":"1101274.749","QC_ov_1":"5511215.984","QC_ov_2":"5587498.798","QC_ov_3":"7669467.146"},{"Metabolite":"Hydroxyphenyllactic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"16157190","CaOV3_CBPR_2":"15431597.93","CaOV3_CBPR_3":"16870474.72","CaOV3_Parent_1":"17291535.15","CaOV3_Parent_2":"17262750.59","CaOV3_Parent_3":"16175527.52","DMEM_IST_1":"4083522.014","DMEM_IST_2":"4592578.63","OVCAR5_CBPR_1":"4158342.379","OVCAR5_CBPR_2":"4613446.273","OVCAR5_CBPR_3":"4593569.382","OVCAR5_Parent_1":"8186694.388","OVCAR5_Parent_2":"9354444.156","OVCAR5_Parent_3":"9422711.206","RPMI_IST_1":"4782203.429","RPMI_IST_2":"4523133.965","QC_ov_1":"13558636.87","QC_ov_2":"14131065.54","QC_ov_3":"15376593.76"},{"Metabolite":"4-methylmorpholine N-oxide","Blank_1":"2029840.511","Blank_2":"3096716.702","Blank_3":"10824739.92","CaOV3_CBPR_1":"173123241.3","CaOV3_CBPR_2":"155375893.7","CaOV3_CBPR_3":"151188482.8","CaOV3_Parent_1":"199554928.8","CaOV3_Parent_2":"204956159.6","CaOV3_Parent_3":"215390770.7","DMEM_IST_1":"42809989.9","DMEM_IST_2":"48131080.66","OVCAR5_CBPR_1":"19317044","OVCAR5_CBPR_2":"16015895.07","OVCAR5_CBPR_3":"13729938.03","OVCAR5_Parent_1":"12695131.23","OVCAR5_Parent_2":"13299374.76","OVCAR5_Parent_3":"13561002.8","RPMI_IST_1":"45600468.15","RPMI_IST_2":"45563992","QC_ov_1":"82598186.09","QC_ov_2":"81043919.25","QC_ov_3":"89581303.93"},{"Metabolite":"Tyrosine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"104527048.3","CaOV3_CBPR_2":"97100202.32","CaOV3_CBPR_3":"101074662.8","CaOV3_Parent_1":"181831436.8","CaOV3_Parent_2":"153063071.6","CaOV3_Parent_3":"170420173.1","DMEM_IST_1":"42479215.39","DMEM_IST_2":"50120654.26","OVCAR5_CBPR_1":"28628855.75","OVCAR5_CBPR_2":"25855794.05","OVCAR5_CBPR_3":"26419222.74","OVCAR5_Parent_1":"24613243.32","OVCAR5_Parent_2":"30089807.65","OVCAR5_Parent_3":"28541177.47","RPMI_IST_1":"54862025.79","RPMI_IST_2":"53811278.84","QC_ov_1":"95600773.06","QC_ov_2":"100019559","QC_ov_3":"101787302.5"},{"Metabolite":"5-Hydroxypentanoic acid","Blank_1":"443771.2812","Blank_2":"535591.8567","Blank_3":"490654.0412","CaOV3_CBPR_1":"16109553.16","CaOV3_CBPR_2":"14191149.52","CaOV3_CBPR_3":"14491520.31","CaOV3_Parent_1":"19125317.47","CaOV3_Parent_2":"17366020.16","CaOV3_Parent_3":"14744306.11","DMEM_IST_1":"10099302.75","DMEM_IST_2":"10641109.6","OVCAR5_CBPR_1":"8291372.392","OVCAR5_CBPR_2":"10953371.59","OVCAR5_CBPR_3":"13777702.51","OVCAR5_Parent_1":"9909141.705","OVCAR5_Parent_2":"12428089.12","OVCAR5_Parent_3":"12177985.06","RPMI_IST_1":"12271480.79","RPMI_IST_2":"12122339.09","QC_ov_1":"21744178.83","QC_ov_2":"26851185.77","QC_ov_3":"26178066.23"},{"Metabolite":"2-Hydroxy-4-(methylthio)butanoic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"4084789.347","CaOV3_CBPR_2":"2440609.946","CaOV3_CBPR_3":"2590152.178","CaOV3_Parent_1":"2933042.609","CaOV3_Parent_2":"3375120.162","CaOV3_Parent_3":"3318822.745","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"649534.643","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"1310120.644","OVCAR5_Parent_3":"1446385.608","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"3756245.68","QC_ov_2":"4952210.425","QC_ov_3":"5112472.696"},{"Metabolite":"Oxoglutaric acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"15858266.27","CaOV3_CBPR_2":"14347952.33","CaOV3_CBPR_3":"16126997.29","CaOV3_Parent_1":"61315830.68","CaOV3_Parent_2":"27893440.32","CaOV3_Parent_3":"36672673.78","DMEM_IST_1":"0","DMEM_IST_2":"1325224.782","OVCAR5_CBPR_1":"6633708.591","OVCAR5_CBPR_2":"8377810.299","OVCAR5_CBPR_3":"8019473.143","OVCAR5_Parent_1":"2629870.014","OVCAR5_Parent_2":"3204169.007","OVCAR5_Parent_3":"2639278.605","RPMI_IST_1":"689716.6605","RPMI_IST_2":"758090.9105","QC_ov_1":"8435475.426","QC_ov_2":"8028257.464","QC_ov_3":"7876482.229"},{"Metabolite":"Myristic acid","Blank_1":"8109544.399","Blank_2":"10117829.62","Blank_3":"9979308.046","CaOV3_CBPR_1":"54155359.08","CaOV3_CBPR_2":"62679208.99","CaOV3_CBPR_3":"56980276.55","CaOV3_Parent_1":"63023533.23","CaOV3_Parent_2":"67795225.85","CaOV3_Parent_3":"61363555.77","DMEM_IST_1":"101337115.1","DMEM_IST_2":"105239428","OVCAR5_CBPR_1":"42939855.3","OVCAR5_CBPR_2":"37747983.07","OVCAR5_CBPR_3":"44988209.88","OVCAR5_Parent_1":"41862569.38","OVCAR5_Parent_2":"38344154.45","OVCAR5_Parent_3":"43733372.27","RPMI_IST_1":"120948215.4","RPMI_IST_2":"120932943.8","QC_ov_1":"38989948.88","QC_ov_2":"37904009.75","QC_ov_3":"38875542.89"},{"Metabolite":"5-Sulfoxymethylfurfural","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"60100278.72","CaOV3_CBPR_2":"42082016.5","CaOV3_CBPR_3":"42359718.11","CaOV3_Parent_1":"57763694.35","CaOV3_Parent_2":"62317579.72","CaOV3_Parent_3":"57465379.55","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"5326169.278","OVCAR5_CBPR_2":"8330758.953","OVCAR5_CBPR_3":"11154704.3","OVCAR5_Parent_1":"5350411.246","OVCAR5_Parent_2":"8877730.893","OVCAR5_Parent_3":"6929521.806","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"20372344.22","QC_ov_2":"19408541.54","QC_ov_3":"18023609.33"},{"Metabolite":"FA methyl(8:0)","Blank_1":"33352358.1","Blank_2":"33143614.42","Blank_3":"33544613.17","CaOV3_CBPR_1":"27839968.67","CaOV3_CBPR_2":"36203725.87","CaOV3_CBPR_3":"31065725.84","CaOV3_Parent_1":"39848879.15","CaOV3_Parent_2":"46598125.22","CaOV3_Parent_3":"38505040.68","DMEM_IST_1":"33976692.29","DMEM_IST_2":"34895574.09","OVCAR5_CBPR_1":"28866260.35","OVCAR5_CBPR_2":"24136945.86","OVCAR5_CBPR_3":"27833243.87","OVCAR5_Parent_1":"32045843.42","OVCAR5_Parent_2":"27103190.27","OVCAR5_Parent_3":"25062733.24","RPMI_IST_1":"28721862.13","RPMI_IST_2":"33286898.34","QC_ov_1":"16196804.18","QC_ov_2":"15529889.87","QC_ov_3":"15139532.54"},{"Metabolite":"4-Hydroxy tolbutamide","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Fructose","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"65713351.56","CaOV3_CBPR_2":"55716694.95","CaOV3_CBPR_3":"57010978.38","CaOV3_Parent_1":"41341373.8","CaOV3_Parent_2":"51392783.73","CaOV3_Parent_3":"48202229.41","DMEM_IST_1":"44768998.3","DMEM_IST_2":"47740726.88","OVCAR5_CBPR_1":"16395431.92","OVCAR5_CBPR_2":"11500334.39","OVCAR5_CBPR_3":"8780900.654","OVCAR5_Parent_1":"3716868.533","OVCAR5_Parent_2":"3442999.635","OVCAR5_Parent_3":"3627179.909","RPMI_IST_1":"49600608.72","RPMI_IST_2":"47816018.12","QC_ov_1":"26698468.15","QC_ov_2":"22957567.92","QC_ov_3":"23931543.31"},{"Metabolite":"N-Undecylbenzenesulfonic acid","Blank_1":"0","Blank_2":"0","Blank_3":"517084.4786","CaOV3_CBPR_1":"15448947.72","CaOV3_CBPR_2":"19817868.85","CaOV3_CBPR_3":"12603629.18","CaOV3_Parent_1":"15261943.68","CaOV3_Parent_2":"11241141.12","CaOV3_Parent_3":"12669824.52","DMEM_IST_1":"23926635.36","DMEM_IST_2":"23624031.09","OVCAR5_CBPR_1":"31206527.92","OVCAR5_CBPR_2":"10687095.24","OVCAR5_CBPR_3":"9589244.015","OVCAR5_Parent_1":"25601176.91","OVCAR5_Parent_2":"7678065.992","OVCAR5_Parent_3":"35451717.8","RPMI_IST_1":"62071469.23","RPMI_IST_2":"64339478.18","QC_ov_1":"14918687.41","QC_ov_2":"14371034.82","QC_ov_3":"14187991.13"},{"Metabolite":"Argenonic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"6430898.406","CaOV3_CBPR_2":"12419488.24","CaOV3_CBPR_3":"9494360.651","CaOV3_Parent_1":"36909582.71","CaOV3_Parent_2":"31640859.81","CaOV3_Parent_3":"36222103.21","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"2532194.059","OVCAR5_CBPR_2":"1917431.342","OVCAR5_CBPR_3":"2078107.262","OVCAR5_Parent_1":"2041268.588","OVCAR5_Parent_2":"1893119.435","OVCAR5_Parent_3":"1768565.209","RPMI_IST_1":"15080979.5","RPMI_IST_2":"18127655.44","QC_ov_1":"4574599.076","QC_ov_2":"4060458.587","QC_ov_3":"4870845.68"},{"Metabolite":"Dodecanoic acid","Blank_1":"12136915.68","Blank_2":"12330547.26","Blank_3":"12217113.77","CaOV3_CBPR_1":"36605863.21","CaOV3_CBPR_2":"41437764.03","CaOV3_CBPR_3":"40309193.13","CaOV3_Parent_1":"36494181.68","CaOV3_Parent_2":"42665084.32","CaOV3_Parent_3":"36938435.97","DMEM_IST_1":"30423246.14","DMEM_IST_2":"28932675.88","OVCAR5_CBPR_1":"17079167.85","OVCAR5_CBPR_2":"14276832.77","OVCAR5_CBPR_3":"16175885","OVCAR5_Parent_1":"18387846.22","OVCAR5_Parent_2":"16065533.28","OVCAR5_Parent_3":"18056661.57","RPMI_IST_1":"30101146.89","RPMI_IST_2":"32088302.12","QC_ov_1":"25425497.42","QC_ov_2":"25017454.56","QC_ov_3":"23412651.69"},{"Metabolite":"octadecenoic acid","Blank_1":"1340167.284","Blank_2":"1830502.739","Blank_3":"1224881.999","CaOV3_CBPR_1":"25894922.91","CaOV3_CBPR_2":"41992822.64","CaOV3_CBPR_3":"31024894.02","CaOV3_Parent_1":"35531904.31","CaOV3_Parent_2":"39529798.27","CaOV3_Parent_3":"35962636.39","DMEM_IST_1":"48192723.45","DMEM_IST_2":"46770055.94","OVCAR5_CBPR_1":"23284056.76","OVCAR5_CBPR_2":"19275825.49","OVCAR5_CBPR_3":"21021332.28","OVCAR5_Parent_1":"33108568.07","OVCAR5_Parent_2":"25830109.37","OVCAR5_Parent_3":"32334450.03","RPMI_IST_1":"67200870.68","RPMI_IST_2":"69783780.29","QC_ov_1":"25161950.47","QC_ov_2":"25072250.25","QC_ov_3":"27257904.27"},{"Metabolite":"Succinic acid","Blank_1":"1696584.415","Blank_2":"0","Blank_3":"2708992.604","CaOV3_CBPR_1":"28873655.11","CaOV3_CBPR_2":"18996989.65","CaOV3_CBPR_3":"19939228.79","CaOV3_Parent_1":"32864115.15","CaOV3_Parent_2":"29199487.29","CaOV3_Parent_3":"30959895.4","DMEM_IST_1":"6746799.48","DMEM_IST_2":"19215007.43","OVCAR5_CBPR_1":"10879144.52","OVCAR5_CBPR_2":"10638556.52","OVCAR5_CBPR_3":"8765101.264","OVCAR5_Parent_1":"4359136.414","OVCAR5_Parent_2":"7268420.472","OVCAR5_Parent_3":"7488769.613","RPMI_IST_1":"19252960.92","RPMI_IST_2":"19129180.95","QC_ov_1":"11534573.71","QC_ov_2":"10977836.16","QC_ov_3":"10447587.74"},{"Metabolite":"Ala/Leu/Arg/Arg","Blank_1":"202031067.6","Blank_2":"211902707.2","Blank_3":"187675536.5","CaOV3_CBPR_1":"40839507.51","CaOV3_CBPR_2":"38829386.62","CaOV3_CBPR_3":"39017555.2","CaOV3_Parent_1":"25761972.53","CaOV3_Parent_2":"29545727.93","CaOV3_Parent_3":"27250891.53","DMEM_IST_1":"59376646.83","DMEM_IST_2":"52308922.69","OVCAR5_CBPR_1":"61410927.01","OVCAR5_CBPR_2":"61733215.41","OVCAR5_CBPR_3":"55570165.57","OVCAR5_Parent_1":"67069416.64","OVCAR5_Parent_2":"56562333.75","OVCAR5_Parent_3":"65753161.79","RPMI_IST_1":"58602511.96","RPMI_IST_2":"56383845.01","QC_ov_1":"38094217.06","QC_ov_2":"38066054.08","QC_ov_3":"33826989.18"},{"Metabolite":"indole-3-acetyl-isoleucine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2567875.812","CaOV3_CBPR_2":"1655241.978","CaOV3_CBPR_3":"1274770.706","CaOV3_Parent_1":"4811646.45","CaOV3_Parent_2":"6051175.915","CaOV3_Parent_3":"7631514.829","DMEM_IST_1":"4491643.876","DMEM_IST_2":"5297911.993","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"426704.6198","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"426785.6956","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"5637628.636","RPMI_IST_2":"7024874.984","QC_ov_1":"597019.841","QC_ov_2":"696499.4596","QC_ov_3":"1059691.279"},{"Metabolite":"2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"7791968.462","CaOV3_CBPR_2":"6329679.539","CaOV3_CBPR_3":"6475339.285","CaOV3_Parent_1":"7443412.685","CaOV3_Parent_2":"7744715.167","CaOV3_Parent_3":"6359817.813","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"516435.5026","OVCAR5_CBPR_2":"734648.6366","OVCAR5_CBPR_3":"760552.3065","OVCAR5_Parent_1":"863585.6","OVCAR5_Parent_2":"838952.7189","OVCAR5_Parent_3":"642488.5464","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"3517257.845","QC_ov_2":"3652661.074","QC_ov_3":"3723883.326"},{"Metabolite":"Phytuberin","Blank_1":"7735946.9","Blank_2":"8030261.844","Blank_3":"7397231.426","CaOV3_CBPR_1":"29305943.13","CaOV3_CBPR_2":"21747612.41","CaOV3_CBPR_3":"22432690.43","CaOV3_Parent_1":"18387846.58","CaOV3_Parent_2":"33984202.1","CaOV3_Parent_3":"20754405.79","DMEM_IST_1":"16543147.52","DMEM_IST_2":"19815798.21","OVCAR5_CBPR_1":"25408366.97","OVCAR5_CBPR_2":"12300417.22","OVCAR5_CBPR_3":"13337250.01","OVCAR5_Parent_1":"24248796.93","OVCAR5_Parent_2":"12626113.89","OVCAR5_Parent_3":"16914914.74","RPMI_IST_1":"20220645.54","RPMI_IST_2":"18510712.29","QC_ov_1":"15183906.5","QC_ov_2":"15459351.32","QC_ov_3":"16187877.31"},{"Metabolite":"2-Hydroxycaproic acid","Blank_1":"0","Blank_2":"0","Blank_3":"391741.2422","CaOV3_CBPR_1":"5124288.132","CaOV3_CBPR_2":"4956205.267","CaOV3_CBPR_3":"6477221.001","CaOV3_Parent_1":"5297207.055","CaOV3_Parent_2":"4296708.85","CaOV3_Parent_3":"3418432.308","DMEM_IST_1":"1202790.21","DMEM_IST_2":"1251802.002","OVCAR5_CBPR_1":"1943656.724","OVCAR5_CBPR_2":"2953562.633","OVCAR5_CBPR_3":"3847031.198","OVCAR5_Parent_1":"5510028.989","OVCAR5_Parent_2":"4370535.446","OVCAR5_Parent_3":"4605749.373","RPMI_IST_1":"2136484.345","RPMI_IST_2":"1749532.035","QC_ov_1":"3527574.836","QC_ov_2":"3786591.906","QC_ov_3":"3682286.788"},{"Metabolite":"2-Dodecylbenzenesulfonic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"11563580.35","CaOV3_CBPR_2":"15511460.4","CaOV3_CBPR_3":"11091582.34","CaOV3_Parent_1":"11361102.14","CaOV3_Parent_2":"8978259.88","CaOV3_Parent_3":"10176380.82","DMEM_IST_1":"18115982.62","DMEM_IST_2":"18378686.7","OVCAR5_CBPR_1":"23497455.75","OVCAR5_CBPR_2":"8607465.268","OVCAR5_CBPR_3":"7806638.837","OVCAR5_Parent_1":"18911738.41","OVCAR5_Parent_2":"7097684.146","OVCAR5_Parent_3":"31216363.45","RPMI_IST_1":"43514416.45","RPMI_IST_2":"51428345.98","QC_ov_1":"11661529.87","QC_ov_2":"11372613.95","QC_ov_3":"12287882.69"},{"Metabolite":"Capric acid","Blank_1":"6379552.411","Blank_2":"7328408.799","Blank_3":"6509324.489","CaOV3_CBPR_1":"22024300.71","CaOV3_CBPR_2":"26839762.92","CaOV3_CBPR_3":"27973892.19","CaOV3_Parent_1":"28158385.56","CaOV3_Parent_2":"28072531.67","CaOV3_Parent_3":"24440062.12","DMEM_IST_1":"11120138.48","DMEM_IST_2":"11905481.92","OVCAR5_CBPR_1":"8998843.144","OVCAR5_CBPR_2":"9137694.943","OVCAR5_CBPR_3":"11178169.94","OVCAR5_Parent_1":"10533404.33","OVCAR5_Parent_2":"10898025.35","OVCAR5_Parent_3":"9411827.122","RPMI_IST_1":"12499332.98","RPMI_IST_2":"12697293.38","QC_ov_1":"13990762.75","QC_ov_2":"13148463.35","QC_ov_3":"13649612.44"},{"Metabolite":"N-Acetyl-D-mannosaminolactone","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"25080082.5","CaOV3_CBPR_2":"10453125.38","CaOV3_CBPR_3":"12090651.22","CaOV3_Parent_1":"27801496.54","CaOV3_Parent_2":"23286360.55","CaOV3_Parent_3":"21057970.55","DMEM_IST_1":"571373.3645","DMEM_IST_2":"349811.9737","OVCAR5_CBPR_1":"1324308.442","OVCAR5_CBPR_2":"1414849.559","OVCAR5_CBPR_3":"1416590.022","OVCAR5_Parent_1":"1697211.824","OVCAR5_Parent_2":"2299239.3","OVCAR5_Parent_3":"1835843.237","RPMI_IST_1":"498618.1023","RPMI_IST_2":"329090.6572","QC_ov_1":"4373429.013","QC_ov_2":"3145215.299","QC_ov_3":"3012129.378"},{"Metabolite":"Pyruvic acid","Blank_1":"649554.5917","Blank_2":"549403.691","Blank_3":"533893.1295","CaOV3_CBPR_1":"34601284.34","CaOV3_CBPR_2":"25331466.95","CaOV3_CBPR_3":"26535248.33","CaOV3_Parent_1":"27420679.08","CaOV3_Parent_2":"28254249.76","CaOV3_Parent_3":"23732421.87","DMEM_IST_1":"360553.7376","DMEM_IST_2":"356289.5769","OVCAR5_CBPR_1":"8333072.827","OVCAR5_CBPR_2":"4679943.505","OVCAR5_CBPR_3":"7623889.491","OVCAR5_Parent_1":"1067910.663","OVCAR5_Parent_2":"1191708.853","OVCAR5_Parent_3":"602734.2385","RPMI_IST_1":"286725.095","RPMI_IST_2":"261324.5762","QC_ov_1":"12428206.64","QC_ov_2":"11863790.62","QC_ov_3":"12004130.98"},{"Metabolite":"N-Acetyl-beta-alanine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1121131.76","CaOV3_CBPR_2":"1512813.308","CaOV3_CBPR_3":"1355955.779","CaOV3_Parent_1":"1248423.517","CaOV3_Parent_2":"1559755.712","CaOV3_Parent_3":"1180337.387","DMEM_IST_1":"12066141.1","DMEM_IST_2":"22729454.4","OVCAR5_CBPR_1":"24498959.69","OVCAR5_CBPR_2":"29729502.67","OVCAR5_CBPR_3":"38986615.5","OVCAR5_Parent_1":"35849577.76","OVCAR5_Parent_2":"49997334.3","OVCAR5_Parent_3":"46737435.77","RPMI_IST_1":"22447400.13","RPMI_IST_2":"22744928.25","QC_ov_1":"7013475.525","QC_ov_2":"7254855.273","QC_ov_3":"7640048.904"},{"Metabolite":"Pimelic acid","Blank_1":"578009.4776","Blank_2":"716484.6627","Blank_3":"620250.6141","CaOV3_CBPR_1":"15893633.63","CaOV3_CBPR_2":"16430301.7","CaOV3_CBPR_3":"15310475.52","CaOV3_Parent_1":"26221099.08","CaOV3_Parent_2":"21958253.73","CaOV3_Parent_3":"21676145.46","DMEM_IST_1":"679256.0114","DMEM_IST_2":"483994.8415","OVCAR5_CBPR_1":"4495141.682","OVCAR5_CBPR_2":"6739710.949","OVCAR5_CBPR_3":"5064757.462","OVCAR5_Parent_1":"6511328.904","OVCAR5_Parent_2":"8412494.061","OVCAR5_Parent_3":"4945439.948","RPMI_IST_1":"24057097.5","RPMI_IST_2":"19569319.04","QC_ov_1":"7243053.96","QC_ov_2":"8193517.892","QC_ov_3":"9030591.068"},{"Metabolite":"N3-hydroxyethylcytosine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"5396398.127","CaOV3_CBPR_2":"5706886.773","CaOV3_CBPR_3":"6963947.576","CaOV3_Parent_1":"8027363.927","CaOV3_Parent_2":"6437577.725","CaOV3_Parent_3":"7561553.862","DMEM_IST_1":"1313054.057","DMEM_IST_2":"15129637.29","OVCAR5_CBPR_1":"1136450.64","OVCAR5_CBPR_2":"1415028.458","OVCAR5_CBPR_3":"1498383.882","OVCAR5_Parent_1":"874246.3609","OVCAR5_Parent_2":"1360495.107","OVCAR5_Parent_3":"1512677.487","RPMI_IST_1":"5953464.676","RPMI_IST_2":"8202499.132","QC_ov_1":"2824803.467","QC_ov_2":"4281977.319","QC_ov_3":"6544984.216"},{"Metabolite":"2-trans,6-trans-Farnesal","Blank_1":"1178839.822","Blank_2":"1390721.461","Blank_3":"1419681.234","CaOV3_CBPR_1":"30467626.78","CaOV3_CBPR_2":"28556436.54","CaOV3_CBPR_3":"29413262.51","CaOV3_Parent_1":"15844281.59","CaOV3_Parent_2":"21534120.77","CaOV3_Parent_3":"18422224.23","DMEM_IST_1":"30735307.47","DMEM_IST_2":"32669580.5","OVCAR5_CBPR_1":"44171904.74","OVCAR5_CBPR_2":"40817316.48","OVCAR5_CBPR_3":"36982834.29","OVCAR5_Parent_1":"47089848.43","OVCAR5_Parent_2":"41279308.71","OVCAR5_Parent_3":"40067228.26","RPMI_IST_1":"15870668.64","RPMI_IST_2":"17578999.1","QC_ov_1":"25524781.71","QC_ov_2":"26324708.12","QC_ov_3":"29099719.11"},{"Metabolite":"Galactose","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"27748916.62","CaOV3_CBPR_2":"24424354.54","CaOV3_CBPR_3":"23809024.4","CaOV3_Parent_1":"14407794.87","CaOV3_Parent_2":"25611135.88","CaOV3_Parent_3":"18084862.68","DMEM_IST_1":"13684143.26","DMEM_IST_2":"32051732.09","OVCAR5_CBPR_1":"20833438.37","OVCAR5_CBPR_2":"20587003.77","OVCAR5_CBPR_3":"17423153.9","OVCAR5_Parent_1":"7779709.954","OVCAR5_Parent_2":"15804588.59","OVCAR5_Parent_3":"13994716.55","RPMI_IST_1":"34643451.53","RPMI_IST_2":"35176177.96","QC_ov_1":"11830308.75","QC_ov_2":"12056513.09","QC_ov_3":"12431901.43"},{"Metabolite":"2-Hydroxyglutaric acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"9093852.281","CaOV3_CBPR_2":"5268936.376","CaOV3_CBPR_3":"6007647.718","CaOV3_Parent_1":"20271019.58","CaOV3_Parent_2":"11880868.84","CaOV3_Parent_3":"13918386.63","DMEM_IST_1":"0","DMEM_IST_2":"3978273.016","OVCAR5_CBPR_1":"830491.4603","OVCAR5_CBPR_2":"749622.1201","OVCAR5_CBPR_3":"1043407.864","OVCAR5_Parent_1":"930429.4501","OVCAR5_Parent_2":"883368.9379","OVCAR5_Parent_3":"828488.5091","RPMI_IST_1":"3814779.376","RPMI_IST_2":"3710482.583","QC_ov_1":"2390707.508","QC_ov_2":"2459189.6","QC_ov_3":"2831896.653"},{"Metabolite":"PG(22:6/22:6)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"772103.3191","CaOV3_CBPR_3":"554854.5752","CaOV3_Parent_1":"2530514.483","CaOV3_Parent_2":"2551657.413","CaOV3_Parent_3":"3174638.72","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"842639.9964","OVCAR5_CBPR_2":"731055.5742","OVCAR5_CBPR_3":"551761.2474","OVCAR5_Parent_1":"441243.5376","OVCAR5_Parent_2":"561509.5111","OVCAR5_Parent_3":"452935.2594","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1126043.398","QC_ov_2":"1002420.062","QC_ov_3":"1062708.975"},{"Metabolite":"UDP-2-acetamido-3-acetamidino-2,3-dideoxy--D-mannuronate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"16232465.95","CaOV3_CBPR_2":"8553463.467","CaOV3_CBPR_3":"9965813.358","CaOV3_Parent_1":"14493129.24","CaOV3_Parent_2":"16197557.44","CaOV3_Parent_3":"18421199.05","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"620337.58","QC_ov_2":"535435.0446","QC_ov_3":"969192.9014"},{"Metabolite":"Undecanoic acid","Blank_1":"1938527.213","Blank_2":"2246715.319","Blank_3":"2618888.622","CaOV3_CBPR_1":"4879560.911","CaOV3_CBPR_2":"7129009.156","CaOV3_CBPR_3":"6589855.685","CaOV3_Parent_1":"8638364.01","CaOV3_Parent_2":"8315052.803","CaOV3_Parent_3":"8616486.614","DMEM_IST_1":"2288330.379","DMEM_IST_2":"2582749.562","OVCAR5_CBPR_1":"3590250.767","OVCAR5_CBPR_2":"3631262.517","OVCAR5_CBPR_3":"3522593.377","OVCAR5_Parent_1":"3941962.095","OVCAR5_Parent_2":"3490016.841","OVCAR5_Parent_3":"3386518.27","RPMI_IST_1":"6906404.607","RPMI_IST_2":"7155514.06","QC_ov_1":"4057431.011","QC_ov_2":"4493375.81","QC_ov_3":"4167726.626"},{"Metabolite":"Citric acid","Blank_1":"1153769.515","Blank_2":"836510.9903","Blank_3":"885669.1392","CaOV3_CBPR_1":"17083052.46","CaOV3_CBPR_2":"18072560.89","CaOV3_CBPR_3":"18432459.74","CaOV3_Parent_1":"13326602.67","CaOV3_Parent_2":"14410943.53","CaOV3_Parent_3":"12444421.53","DMEM_IST_1":"5426702.775","DMEM_IST_2":"8954927.841","OVCAR5_CBPR_1":"3236297.905","OVCAR5_CBPR_2":"2879724.329","OVCAR5_CBPR_3":"2790201.896","OVCAR5_Parent_1":"3025142.604","OVCAR5_Parent_2":"2786923.658","OVCAR5_Parent_3":"2812024.785","RPMI_IST_1":"26236311.84","RPMI_IST_2":"16365342.09","QC_ov_1":"16023248.3","QC_ov_2":"13995767.59","QC_ov_3":"14387329.12"},{"Metabolite":"N-Desmethylzopiclone","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2060641.619","CaOV3_CBPR_2":"1176761.424","CaOV3_CBPR_3":"1207496.024","CaOV3_Parent_1":"671435.6954","CaOV3_Parent_2":"1016712.039","CaOV3_Parent_3":"893910.6131","DMEM_IST_1":"1244360.549","DMEM_IST_2":"1410279.659","OVCAR5_CBPR_1":"1496828.544","OVCAR5_CBPR_2":"1154056.835","OVCAR5_CBPR_3":"1101960.457","OVCAR5_Parent_1":"1212389.522","OVCAR5_Parent_2":"1105818.312","OVCAR5_Parent_3":"1071909.439","RPMI_IST_1":"1469337.775","RPMI_IST_2":"1369321.134","QC_ov_1":"763715.5429","QC_ov_2":"759409.339","QC_ov_3":"765177.7325"},{"Metabolite":"Glycerol 3-phosphate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2355280.915","CaOV3_CBPR_2":"2777673.135","CaOV3_CBPR_3":"2985574.238","CaOV3_Parent_1":"11798755.75","CaOV3_Parent_2":"5132534.885","CaOV3_Parent_3":"7184622.251","DMEM_IST_1":"0","DMEM_IST_2":"319788.5402","OVCAR5_CBPR_1":"4971623.382","OVCAR5_CBPR_2":"5930327.738","OVCAR5_CBPR_3":"6958436.69","OVCAR5_Parent_1":"5264035.085","OVCAR5_Parent_2":"9991996.147","OVCAR5_Parent_3":"9916997.412","RPMI_IST_1":"273646.4616","RPMI_IST_2":"381280.0345","QC_ov_1":"5851471.619","QC_ov_2":"7248911.281","QC_ov_3":"7786658.561"},{"Metabolite":"Cys/Met/Met/Met/Trp","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"665978.7636","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"668200.3936","CaOV3_Parent_2":"657123.5748","CaOV3_Parent_3":"710027.0315","DMEM_IST_1":"946238.444","DMEM_IST_2":"1007451.439","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"1376529.16","RPMI_IST_2":"1362769.746","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"3-Ethylmalate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"10610878.75","CaOV3_CBPR_2":"9885259.274","CaOV3_CBPR_3":"9687351.453","CaOV3_Parent_1":"13649505.6","CaOV3_Parent_2":"12746153.41","CaOV3_Parent_3":"13355852.44","DMEM_IST_1":"8342419.786","DMEM_IST_2":"11777376.96","OVCAR5_CBPR_1":"5490469.002","OVCAR5_CBPR_2":"5652299.049","OVCAR5_CBPR_3":"5151038.35","OVCAR5_Parent_1":"1932070.184","OVCAR5_Parent_2":"4003431.751","OVCAR5_Parent_3":"3525265.388","RPMI_IST_1":"11304535.3","RPMI_IST_2":"10598070.08","QC_ov_1":"7078400.142","QC_ov_2":"7335386.862","QC_ov_3":"7340837.53"},{"Metabolite":"FA (18:2)","Blank_1":"1417523.557","Blank_2":"1324572.844","Blank_3":"1160123.921","CaOV3_CBPR_1":"4928545.985","CaOV3_CBPR_2":"8925281.563","CaOV3_CBPR_3":"6855883.495","CaOV3_Parent_1":"5596193.685","CaOV3_Parent_2":"8015357.633","CaOV3_Parent_3":"5375914.241","DMEM_IST_1":"9868513.52","DMEM_IST_2":"8361304.066","OVCAR5_CBPR_1":"3571727.043","OVCAR5_CBPR_2":"2456725.138","OVCAR5_CBPR_3":"3370767.05","OVCAR5_Parent_1":"4156338.406","OVCAR5_Parent_2":"3854509.368","OVCAR5_Parent_3":"7371549.101","RPMI_IST_1":"15036622.84","RPMI_IST_2":"16002107.96","QC_ov_1":"8003043.714","QC_ov_2":"7914237.422","QC_ov_3":"8359353.632"},{"Metabolite":"Heptadecanoic acid","Blank_1":"887647.6087","Blank_2":"1041058.048","Blank_3":"845322.4406","CaOV3_CBPR_1":"6641408.36","CaOV3_CBPR_2":"9605951.558","CaOV3_CBPR_3":"8486357.853","CaOV3_Parent_1":"9773782.019","CaOV3_Parent_2":"10664242.29","CaOV3_Parent_3":"8329062.742","DMEM_IST_1":"16843225.58","DMEM_IST_2":"15859239.11","OVCAR5_CBPR_1":"7381740.271","OVCAR5_CBPR_2":"6779827.515","OVCAR5_CBPR_3":"7121479.515","OVCAR5_Parent_1":"7471312.69","OVCAR5_Parent_2":"6286086.232","OVCAR5_Parent_3":"7154883.27","RPMI_IST_1":"25064275.22","RPMI_IST_2":"25090311.68","QC_ov_1":"6844846.004","QC_ov_2":"6256146.838","QC_ov_3":"6292850.451"},{"Metabolite":"Ala/Met/Thr/Asp","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"205341.369","DMEM_IST_2":"228351.2336","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"9418782.537","QC_ov_2":"8850985.283","QC_ov_3":"11161471.9"},{"Metabolite":"ascr#24","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"10237181.59","CaOV3_CBPR_2":"10190502.99","CaOV3_CBPR_3":"9945749.667","CaOV3_Parent_1":"11875166.74","CaOV3_Parent_2":"10718537.78","CaOV3_Parent_3":"10283913.38","DMEM_IST_1":"17270790.32","DMEM_IST_2":"18580147.39","OVCAR5_CBPR_1":"8747077.084","OVCAR5_CBPR_2":"8945553.78","OVCAR5_CBPR_3":"7784501.29","OVCAR5_Parent_1":"8697239.285","OVCAR5_Parent_2":"7633712.525","OVCAR5_Parent_3":"8315852.223","RPMI_IST_1":"12154950.8","RPMI_IST_2":"14646341.62","QC_ov_1":"6628464.198","QC_ov_2":"7763997.067","QC_ov_3":"7388517.288"},{"Metabolite":"potassium dihydrogen phosphate","Blank_1":"0","Blank_2":"477045.1037","Blank_3":"469542.4823","CaOV3_CBPR_1":"1877506.587","CaOV3_CBPR_2":"595170.0176","CaOV3_CBPR_3":"711028.5985","CaOV3_Parent_1":"1237548.301","CaOV3_Parent_2":"1939016.766","CaOV3_Parent_3":"898838.8355","DMEM_IST_1":"390762.0674","DMEM_IST_2":"0","OVCAR5_CBPR_1":"396461.7879","OVCAR5_CBPR_2":"396778.8693","OVCAR5_CBPR_3":"362429.87","OVCAR5_Parent_1":"770723.6149","OVCAR5_Parent_2":"354803.2221","OVCAR5_Parent_3":"452005.4433","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"368467.9532","QC_ov_2":"353627.9533","QC_ov_3":"333238.9406"},{"Metabolite":"Caprylic acid","Blank_1":"4148261.578","Blank_2":"4722361.685","Blank_3":"5192428.156","CaOV3_CBPR_1":"12485776.38","CaOV3_CBPR_2":"13975590.35","CaOV3_CBPR_3":"13775349.1","CaOV3_Parent_1":"9596423.789","CaOV3_Parent_2":"12126337.86","CaOV3_Parent_3":"11827436.34","DMEM_IST_1":"10494723.86","DMEM_IST_2":"12904050.19","OVCAR5_CBPR_1":"7348612.481","OVCAR5_CBPR_2":"6440639.587","OVCAR5_CBPR_3":"10256002.62","OVCAR5_Parent_1":"6556605.728","OVCAR5_Parent_2":"8037733.057","OVCAR5_Parent_3":"6259775.595","RPMI_IST_1":"5864233.235","RPMI_IST_2":"6278563.128","QC_ov_1":"6981969.407","QC_ov_2":"6905292.243","QC_ov_3":"6265388.274"},{"Metabolite":"1-Pyrroline-5-carboxylic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"4999992.924","CaOV3_CBPR_2":"2098404.362","CaOV3_CBPR_3":"1986633.304","CaOV3_Parent_1":"9344626.143","CaOV3_Parent_2":"8907066.037","CaOV3_Parent_3":"11608716","DMEM_IST_1":"0","DMEM_IST_2":"419228.8714","OVCAR5_CBPR_1":"1161165.378","OVCAR5_CBPR_2":"1862553.087","OVCAR5_CBPR_3":"600507.9763","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"703775.9421","OVCAR5_Parent_3":"847458.503","RPMI_IST_1":"234436.3769","RPMI_IST_2":"484410.1074","QC_ov_1":"947406.7597","QC_ov_2":"1061816.596","QC_ov_3":"1598259.652"},{"Metabolite":"Neryl formate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2819835.9","CaOV3_CBPR_2":"3571495.319","CaOV3_CBPR_3":"2735754.733","CaOV3_Parent_1":"5070129.343","CaOV3_Parent_2":"4404433.694","CaOV3_Parent_3":"4864786.519","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"1938065.942","OVCAR5_CBPR_2":"1600775.679","OVCAR5_CBPR_3":"1361659.325","OVCAR5_Parent_1":"1781631.595","OVCAR5_Parent_2":"1383978.58","OVCAR5_Parent_3":"1322742.568","RPMI_IST_1":"3526231.009","RPMI_IST_2":"3692412.502","QC_ov_1":"2035053.633","QC_ov_2":"2098126.133","QC_ov_3":"2107294.197"},{"Metabolite":"FA methyl(14:0)","Blank_1":"2123114.035","Blank_2":"2195879.747","Blank_3":"1925127.225","CaOV3_CBPR_1":"6567279.263","CaOV3_CBPR_2":"11153369.81","CaOV3_CBPR_3":"8039261.516","CaOV3_Parent_1":"7707006.363","CaOV3_Parent_2":"10376029.22","CaOV3_Parent_3":"8562745.013","DMEM_IST_1":"15513473.44","DMEM_IST_2":"15020692.02","OVCAR5_CBPR_1":"6715359.766","OVCAR5_CBPR_2":"5284373.718","OVCAR5_CBPR_3":"7566772.927","OVCAR5_Parent_1":"7590330.599","OVCAR5_Parent_2":"5882092.851","OVCAR5_Parent_3":"7748160.449","RPMI_IST_1":"19067888.07","RPMI_IST_2":"21358243.9","QC_ov_1":"5632067.536","QC_ov_2":"6199513.27","QC_ov_3":"5443318.369"},{"Metabolite":"PI(16:0/22:4)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1583736.673","CaOV3_CBPR_2":"5178745.084","CaOV3_CBPR_3":"3194906.345","CaOV3_Parent_1":"3553584.806","CaOV3_Parent_2":"3720012.397","CaOV3_Parent_3":"4359720.335","DMEM_IST_1":"454841.6449","DMEM_IST_2":"0","OVCAR5_CBPR_1":"841725.1746","OVCAR5_CBPR_2":"1450970.615","OVCAR5_CBPR_3":"1079103.359","OVCAR5_Parent_1":"2862820.064","OVCAR5_Parent_2":"2255548.59","OVCAR5_Parent_3":"1762004.754","RPMI_IST_1":"452246.0638","RPMI_IST_2":"272959.2174","QC_ov_1":"3450757.092","QC_ov_2":"3162345.687","QC_ov_3":"3281658.022"},{"Metabolite":"PG(18:1/22:6)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"578208.1624","CaOV3_CBPR_2":"3569189.301","CaOV3_CBPR_3":"2467329.26","CaOV3_Parent_1":"5129646.569","CaOV3_Parent_2":"4581390.107","CaOV3_Parent_3":"5262988.724","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"1879373.838","OVCAR5_CBPR_2":"3153581.269","OVCAR5_CBPR_3":"2243896.423","OVCAR5_Parent_1":"5364558.427","OVCAR5_Parent_2":"4748935.044","OVCAR5_Parent_3":"3545460.492","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"2861571.404","QC_ov_2":"2695576.239","QC_ov_3":"2825506.227"},{"Metabolite":"2-Methylacetophenone","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1435875.928","CaOV3_CBPR_2":"310914.3766","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"546148.7383","CaOV3_Parent_2":"6068742.272","CaOV3_Parent_3":"282101.9719","DMEM_IST_1":"1084339.352","DMEM_IST_2":"1546790.671","OVCAR5_CBPR_1":"739107.0749","OVCAR5_CBPR_2":"473731.6811","OVCAR5_CBPR_3":"377956.6697","OVCAR5_Parent_1":"474137.5003","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"689955.6285","RPMI_IST_1":"614373.8122","RPMI_IST_2":"672465.632","QC_ov_1":"531626.3142","QC_ov_2":"478401.2476","QC_ov_3":"508258.3526"},{"Metabolite":"Arachidonic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1305621.843","CaOV3_CBPR_2":"1239896.154","CaOV3_CBPR_3":"1543788.716","CaOV3_Parent_1":"1871451.506","CaOV3_Parent_2":"1514900.611","CaOV3_Parent_3":"1555441.471","DMEM_IST_1":"13634371.86","DMEM_IST_2":"14720923.14","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"19256316.02","RPMI_IST_2":"20531968.13","QC_ov_1":"550009.196","QC_ov_2":"643203.7403","QC_ov_3":"699988.5825"},{"Metabolite":"Palmitoleic acid","Blank_1":"0","Blank_2":"640945.0921","Blank_3":"631301.2802","CaOV3_CBPR_1":"7353008.992","CaOV3_CBPR_2":"14166658.07","CaOV3_CBPR_3":"7242586.966","CaOV3_Parent_1":"8366871.904","CaOV3_Parent_2":"9049874.766","CaOV3_Parent_3":"10075387.89","DMEM_IST_1":"10388930.28","DMEM_IST_2":"9984962.962","OVCAR5_CBPR_1":"3150183.049","OVCAR5_CBPR_2":"2230881.31","OVCAR5_CBPR_3":"4925682.597","OVCAR5_Parent_1":"4664569.613","OVCAR5_Parent_2":"5001675.631","OVCAR5_Parent_3":"6081277.843","RPMI_IST_1":"13202110.74","RPMI_IST_2":"14097691.24","QC_ov_1":"3867981.802","QC_ov_2":"4303568.278","QC_ov_3":"4167112.213"},{"Metabolite":"3-Dehydroquinate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2897031.443","CaOV3_CBPR_2":"3365986.377","CaOV3_CBPR_3":"3086640.701","CaOV3_Parent_1":"8811000.67","CaOV3_Parent_2":"8565401.683","CaOV3_Parent_3":"9282788.041","DMEM_IST_1":"3728666.985","DMEM_IST_2":"4717647.349","OVCAR5_CBPR_1":"3229368.05","OVCAR5_CBPR_2":"2960256.12","OVCAR5_CBPR_3":"2642331.845","OVCAR5_Parent_1":"2290861.301","OVCAR5_Parent_2":"2792230.049","OVCAR5_Parent_3":"2757014.084","RPMI_IST_1":"5080718.669","RPMI_IST_2":"4337960.051","QC_ov_1":"3991977.327","QC_ov_2":"3821445.497","QC_ov_3":"4448167.948"},{"Metabolite":"alpha-Irone","Blank_1":"3528474.486","Blank_2":"3730579.595","Blank_3":"3673273.528","CaOV3_CBPR_1":"1569775.892","CaOV3_CBPR_2":"2340115.061","CaOV3_CBPR_3":"2539887.24","CaOV3_Parent_1":"2082245.235","CaOV3_Parent_2":"2447177.61","CaOV3_Parent_3":"1357178.707","DMEM_IST_1":"10024413.4","DMEM_IST_2":"10584940.77","OVCAR5_CBPR_1":"2788604.681","OVCAR5_CBPR_2":"2090330.355","OVCAR5_CBPR_3":"3109784.235","OVCAR5_Parent_1":"2088617.505","OVCAR5_Parent_2":"2275826.016","OVCAR5_Parent_3":"1673399.126","RPMI_IST_1":"14465209.73","RPMI_IST_2":"16998918.03","QC_ov_1":"2185736.781","QC_ov_2":"1878549.106","QC_ov_3":"1841651.521"},{"Metabolite":"2-Hydroxy-2,4-pentadienoate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"7701177.834","CaOV3_CBPR_2":"6588049.885","CaOV3_CBPR_3":"7566256.382","CaOV3_Parent_1":"8331692.077","CaOV3_Parent_2":"8002924.468","CaOV3_Parent_3":"8426585.239","DMEM_IST_1":"7182746.027","DMEM_IST_2":"9447427.215","OVCAR5_CBPR_1":"3425496.465","OVCAR5_CBPR_2":"2513573.204","OVCAR5_CBPR_3":"1829011.85","OVCAR5_Parent_1":"641781.1617","OVCAR5_Parent_2":"624609.5929","OVCAR5_Parent_3":"757361.7094","RPMI_IST_1":"10169147.55","RPMI_IST_2":"9218423.123","QC_ov_1":"4266705.39","QC_ov_2":"4498916.403","QC_ov_3":"3932237.2"},{"Metabolite":"Ribitol 5-phosphate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"3840343.955","OVCAR5_CBPR_1":"402244.7465","OVCAR5_CBPR_2":"744483.207","OVCAR5_CBPR_3":"811896.1098","OVCAR5_Parent_1":"275410.3452","OVCAR5_Parent_2":"334738.7114","OVCAR5_Parent_3":"457586.4066","RPMI_IST_1":"16470648.42","RPMI_IST_2":"16020813.52","QC_ov_1":"346717.7312","QC_ov_2":"308680.1505","QC_ov_3":"304451.3605"},{"Metabolite":"Lys/Lys/Lys/Met/Tyr","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"810987.203","CaOV3_CBPR_2":"751318.7161","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"3744923.158","CaOV3_Parent_2":"3607284.567","CaOV3_Parent_3":"4839264.59","DMEM_IST_1":"2265932.636","DMEM_IST_2":"3227943.68","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"3187721.767","RPMI_IST_2":"4267419.552","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"a phenothiazine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3592466.839","CaOV3_CBPR_2":"3566155.73","CaOV3_CBPR_3":"4043812.853","CaOV3_Parent_1":"120222.5384","CaOV3_Parent_2":"1377960.661","CaOV3_Parent_3":"283114.7923","DMEM_IST_1":"227682.7541","DMEM_IST_2":"110982.1102","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"445745.4037","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"241687.4461","QC_ov_2":"144454.9309","QC_ov_3":"172497.8991"},{"Metabolite":"trans-Dodec-2-enoic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"6291023.4","CaOV3_CBPR_2":"6791697.182","CaOV3_CBPR_3":"8091390.973","CaOV3_Parent_1":"7968588.394","CaOV3_Parent_2":"6789121.384","CaOV3_Parent_3":"5660710.614","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"856306.3433","OVCAR5_CBPR_2":"794799.5348","OVCAR5_CBPR_3":"1098787.878","OVCAR5_Parent_1":"1061880.68","OVCAR5_Parent_2":"1077980.484","OVCAR5_Parent_3":"1007902.07","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"3207270.613","QC_ov_2":"3503995.877","QC_ov_3":"3345247.521"},{"Metabolite":"tunicamine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"506068.9439","DMEM_IST_2":"15971886.29","OVCAR5_CBPR_1":"1271491.537","OVCAR5_CBPR_2":"2819183.401","OVCAR5_CBPR_3":"3877537.331","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"1489959.953","OVCAR5_Parent_3":"876911.7373","RPMI_IST_1":"12946410.48","RPMI_IST_2":"12230544.96","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Koryoginsenoside R1","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"351105.1479","CaOV3_CBPR_3":"349115.6958","CaOV3_Parent_1":"1190542.386","CaOV3_Parent_2":"1056283.929","CaOV3_Parent_3":"1260766.821","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"328666.7245","OVCAR5_CBPR_2":"360038.801","OVCAR5_CBPR_3":"203063.9087","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"335392.615","QC_ov_2":"397503.7818","QC_ov_3":"439688.7557"},{"Metabolite":"PS(37:1)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"604801.0341","OVCAR5_Parent_2":"575796.1981","OVCAR5_Parent_3":"374722.6685","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1306623.041","QC_ov_2":"1398954.007","QC_ov_3":"1504617.671"},{"Metabolite":"Phenol sulphate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"4062860.034","CaOV3_CBPR_2":"2518734.597","CaOV3_CBPR_3":"2825365.336","CaOV3_Parent_1":"7369001.201","CaOV3_Parent_2":"7086007.947","CaOV3_Parent_3":"7515363.791","DMEM_IST_1":"485164.029","DMEM_IST_2":"671332.3265","OVCAR5_CBPR_1":"2154621.089","OVCAR5_CBPR_2":"2119748.757","OVCAR5_CBPR_3":"1526050.816","OVCAR5_Parent_1":"1670009.406","OVCAR5_Parent_2":"2047122.475","OVCAR5_Parent_3":"2259056.987","RPMI_IST_1":"1224496.531","RPMI_IST_2":"1138691.983","QC_ov_1":"2014068.191","QC_ov_2":"2617197.961","QC_ov_3":"2758843.436"},{"Metabolite":"Indolepyruvate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"455860.8045","CaOV3_CBPR_2":"352202.1231","CaOV3_CBPR_3":"388155.3177","CaOV3_Parent_1":"299376.1479","CaOV3_Parent_2":"332379.5279","CaOV3_Parent_3":"279218.8894","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"116896.4501","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"341768.9212","QC_ov_2":"385172.3501","QC_ov_3":"380832.9807"},{"Metabolite":"4-Hydroxybutyric acid","Blank_1":"0","Blank_2":"0","Blank_3":"352786.0701","CaOV3_CBPR_1":"6514213.909","CaOV3_CBPR_2":"5385627.731","CaOV3_CBPR_3":"5757699.111","CaOV3_Parent_1":"5482046.569","CaOV3_Parent_2":"5326336.219","CaOV3_Parent_3":"5015507.968","DMEM_IST_1":"1845365.325","DMEM_IST_2":"1742305.057","OVCAR5_CBPR_1":"1440926.853","OVCAR5_CBPR_2":"1351057.991","OVCAR5_CBPR_3":"1259211.021","OVCAR5_Parent_1":"1144891.305","OVCAR5_Parent_2":"1370831.752","OVCAR5_Parent_3":"1296296.846","RPMI_IST_1":"1604348.745","RPMI_IST_2":"1874979.659","QC_ov_1":"2847100.906","QC_ov_2":"2630234.523","QC_ov_3":"2778986.004"},{"Metabolite":"PI(16:0/20:2)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"829714.8542","CaOV3_CBPR_2":"3257218.305","CaOV3_CBPR_3":"2281378.498","CaOV3_Parent_1":"1899915.573","CaOV3_Parent_2":"2011387.054","CaOV3_Parent_3":"2279468.306","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"2968268.449","OVCAR5_CBPR_2":"6234730.588","OVCAR5_CBPR_3":"4796354.7","OVCAR5_Parent_1":"14150921.49","OVCAR5_Parent_2":"11156992.01","OVCAR5_Parent_3":"7951976.631","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"3666441.906","QC_ov_2":"3285602.892","QC_ov_3":"3555464.255"},{"Metabolite":"Trifluoroacetic acid","Blank_1":"1320450.311","Blank_2":"1148740.156","Blank_3":"0","CaOV3_CBPR_1":"5732308.577","CaOV3_CBPR_2":"5407907.852","CaOV3_CBPR_3":"4741234.322","CaOV3_Parent_1":"4409531.218","CaOV3_Parent_2":"6571318.806","CaOV3_Parent_3":"5392660.752","DMEM_IST_1":"6146420.284","DMEM_IST_2":"2740803.871","OVCAR5_CBPR_1":"2024899.116","OVCAR5_CBPR_2":"3034840.478","OVCAR5_CBPR_3":"2468947.44","OVCAR5_Parent_1":"804552.8736","OVCAR5_Parent_2":"1684472.208","OVCAR5_Parent_3":"2073160.048","RPMI_IST_1":"3900220.024","RPMI_IST_2":"2656777.863","QC_ov_1":"3435309.462","QC_ov_2":"3210228.708","QC_ov_3":"2887220.397"},{"Metabolite":"Ala/Cys/His/Asn/Gln","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3837981.802","CaOV3_CBPR_2":"3527137.773","CaOV3_CBPR_3":"3388186.306","CaOV3_Parent_1":"5075897.722","CaOV3_Parent_2":"5721737.035","CaOV3_Parent_3":"5905174.366","DMEM_IST_1":"1926961.951","DMEM_IST_2":"2427476.657","OVCAR5_CBPR_1":"3187657.2","OVCAR5_CBPR_2":"3289039.219","OVCAR5_CBPR_3":"3187797.403","OVCAR5_Parent_1":"2117038.442","OVCAR5_Parent_2":"3003631.567","OVCAR5_Parent_3":"2749179.992","RPMI_IST_1":"2531037.395","RPMI_IST_2":"2290539.649","QC_ov_1":"3061433.025","QC_ov_2":"3585697.639","QC_ov_3":"3482582.934"},{"Metabolite":"4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl}-1-hydroxy-3-methylbutan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-aminobutanoic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"679747.6316","CaOV3_CBPR_2":"207308.6055","CaOV3_CBPR_3":"180434.2556","CaOV3_Parent_1":"3202558.287","CaOV3_Parent_2":"3830158.418","CaOV3_Parent_3":"5720398.893","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Cyclovariegatin","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"2646919.571","OVCAR5_CBPR_2":"2499107.513","OVCAR5_CBPR_3":"1824852.702","OVCAR5_Parent_1":"1190190.895","OVCAR5_Parent_2":"1030680.932","OVCAR5_Parent_3":"1191883.349","RPMI_IST_1":"10144725.84","RPMI_IST_2":"10239249.74","QC_ov_1":"1056390.373","QC_ov_2":"1717885.563","QC_ov_3":"1161643.166"},{"Metabolite":"Phe/Ile/Met/Arg/Val","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1963724.797","CaOV3_CBPR_2":"1597424.251","CaOV3_CBPR_3":"2499034.092","CaOV3_Parent_1":"2518147.23","CaOV3_Parent_2":"2320576.045","CaOV3_Parent_3":"1723401.771","DMEM_IST_1":"7267895.834","DMEM_IST_2":"7081190.554","OVCAR5_CBPR_1":"1207937.844","OVCAR5_CBPR_2":"746778.8075","OVCAR5_CBPR_3":"1021240.457","OVCAR5_Parent_1":"658557.0258","OVCAR5_Parent_2":"739773.093","OVCAR5_Parent_3":"856664.9684","RPMI_IST_1":"8294635.105","RPMI_IST_2":"10160886.44","QC_ov_1":"1141185.6","QC_ov_2":"1266176.31","QC_ov_3":"1294892.814"},{"Metabolite":"(2R,4S)-2,4-Diaminopentanoate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2367294.971","CaOV3_CBPR_2":"1799531.26","CaOV3_CBPR_3":"1724564.07","CaOV3_Parent_1":"2552196.302","CaOV3_Parent_2":"2748254.793","CaOV3_Parent_3":"2811745.435","DMEM_IST_1":"5263009.608","DMEM_IST_2":"5422526.364","OVCAR5_CBPR_1":"3632237.917","OVCAR5_CBPR_2":"3183711.719","OVCAR5_CBPR_3":"2748143.813","OVCAR5_Parent_1":"2550634.214","OVCAR5_Parent_2":"2875438.51","OVCAR5_Parent_3":"3032364.262","RPMI_IST_1":"6151951.885","RPMI_IST_2":"6004909.189","QC_ov_1":"2072851.056","QC_ov_2":"2078779.032","QC_ov_3":"2106789.34"},{"Metabolite":"Tridecanoic acid","Blank_1":"2147407.088","Blank_2":"2329835.951","Blank_3":"2354533.249","CaOV3_CBPR_1":"3328061.987","CaOV3_CBPR_2":"4237483.335","CaOV3_CBPR_3":"3925466.979","CaOV3_Parent_1":"3437156.144","CaOV3_Parent_2":"4431417.27","CaOV3_Parent_3":"3548730.202","DMEM_IST_1":"3115556.478","DMEM_IST_2":"3637828.199","OVCAR5_CBPR_1":"2457585.464","OVCAR5_CBPR_2":"1652196.598","OVCAR5_CBPR_3":"2403583.728","OVCAR5_Parent_1":"2533298.022","OVCAR5_Parent_2":"1485152.11","OVCAR5_Parent_3":"2375133.369","RPMI_IST_1":"2975974.481","RPMI_IST_2":"3243600.333","QC_ov_1":"1723591.614","QC_ov_2":"2200789.385","QC_ov_3":"2148194.972"},{"Metabolite":"Allantoin","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1980648.216","CaOV3_CBPR_2":"1349196.878","CaOV3_CBPR_3":"1602084.657","CaOV3_Parent_1":"1562352.147","CaOV3_Parent_2":"1567038.171","CaOV3_Parent_3":"1389485.494","DMEM_IST_1":"1773859.111","DMEM_IST_2":"7409259.521","OVCAR5_CBPR_1":"1624509.973","OVCAR5_CBPR_2":"1637773.931","OVCAR5_CBPR_3":"1606922.469","OVCAR5_Parent_1":"1318064.639","OVCAR5_Parent_2":"1506308.351","OVCAR5_Parent_3":"1477782.134","RPMI_IST_1":"8329131.778","RPMI_IST_2":"8186689.6","QC_ov_1":"1213415.897","QC_ov_2":"993890.7299","QC_ov_3":"1091777.19"},{"Metabolite":"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3880053.401","CaOV3_CBPR_2":"5014084.789","CaOV3_CBPR_3":"5423971.25","CaOV3_Parent_1":"4710080.775","CaOV3_Parent_2":"5335435.356","CaOV3_Parent_3":"4158344.217","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"117185.417","OVCAR5_CBPR_2":"133500.2242","OVCAR5_CBPR_3":"155840.8756","OVCAR5_Parent_1":"311100.1932","OVCAR5_Parent_2":"275626.8896","OVCAR5_Parent_3":"227302.9755","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1968938.32","QC_ov_2":"2013158.147","QC_ov_3":"1924583.38"},{"Metabolite":"PG(16:0/18:1)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"479504.7745","CaOV3_CBPR_2":"2599352.371","CaOV3_CBPR_3":"1461419.487","CaOV3_Parent_1":"1840088.372","CaOV3_Parent_2":"2071463.051","CaOV3_Parent_3":"2758071.864","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"1305014.019","OVCAR5_CBPR_2":"2172377.614","OVCAR5_CBPR_3":"1777438.102","OVCAR5_Parent_1":"8227955.47","OVCAR5_Parent_2":"6868852.791","OVCAR5_Parent_3":"5446541.948","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"2485294.808","QC_ov_2":"2470604.642","QC_ov_3":"2437289.38"},{"Metabolite":"3,3'-Thiobispropanoic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3048528.136","CaOV3_CBPR_2":"2411397.095","CaOV3_CBPR_3":"2696595.727","CaOV3_Parent_1":"4457040.803","CaOV3_Parent_2":"4306373.743","CaOV3_Parent_3":"4761242.669","DMEM_IST_1":"1758358.869","DMEM_IST_2":"2015743.826","OVCAR5_CBPR_1":"1382441.055","OVCAR5_CBPR_2":"1370195.609","OVCAR5_CBPR_3":"1028166.156","OVCAR5_Parent_1":"842828.5689","OVCAR5_Parent_2":"1299402.866","OVCAR5_Parent_3":"1221094.409","RPMI_IST_1":"1733768.484","RPMI_IST_2":"1867417.075","QC_ov_1":"1748463.855","QC_ov_2":"1729545.497","QC_ov_3":"1916068.875"},{"Metabolite":"Arabitol","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3420925.78","CaOV3_CBPR_2":"2793791.416","CaOV3_CBPR_3":"3165152.021","CaOV3_Parent_1":"2946338.116","CaOV3_Parent_2":"3642967.466","CaOV3_Parent_3":"3055646.287","DMEM_IST_1":"6836675.859","DMEM_IST_2":"8047023.405","OVCAR5_CBPR_1":"8635532.848","OVCAR5_CBPR_2":"8161959.242","OVCAR5_CBPR_3":"7746975.81","OVCAR5_Parent_1":"5972607.215","OVCAR5_Parent_2":"8317729.447","OVCAR5_Parent_3":"7849132.295","RPMI_IST_1":"8604176.406","RPMI_IST_2":"8274855.163","QC_ov_1":"5001416.521","QC_ov_2":"5297497.347","QC_ov_3":"5165244.356"},{"Metabolite":"Viscutin 1","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Phosphohydroxypyruvic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2673312.078","CaOV3_CBPR_2":"2516629.212","CaOV3_CBPR_3":"3970435.549","CaOV3_Parent_1":"1997013.789","CaOV3_Parent_2":"2248050.254","CaOV3_Parent_3":"1720253.771","DMEM_IST_1":"5716113.967","DMEM_IST_2":"0","OVCAR5_CBPR_1":"3759789.773","OVCAR5_CBPR_2":"3799986.529","OVCAR5_CBPR_3":"4660329.477","OVCAR5_Parent_1":"2860922.288","OVCAR5_Parent_2":"3533463.62","OVCAR5_Parent_3":"3902433.952","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"2810063.695","QC_ov_2":"2895263.677","QC_ov_3":"3236057.375"},{"Metabolite":"Uridine diphosphate-N-acetylglucosamine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"494201.0655","CaOV3_CBPR_3":"530945.4162","CaOV3_Parent_1":"1371915.332","CaOV3_Parent_2":"483567.2205","CaOV3_Parent_3":"666266.1474","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"3075391.889","OVCAR5_CBPR_2":"5002742.799","OVCAR5_CBPR_3":"7344610.541","OVCAR5_Parent_1":"1269424.317","OVCAR5_Parent_2":"2766016.981","OVCAR5_Parent_3":"2854450.056","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1420999.061","QC_ov_2":"1786300.719","QC_ov_3":"1612303.772"},{"Metabolite":"12-epi-hapalindole F (isothiocyanate)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"1178839.255","CaOV3_Parent_2":"629740.3612","CaOV3_Parent_3":"1096838.502","DMEM_IST_1":"0","DMEM_IST_2":"6091373.606","OVCAR5_CBPR_1":"1921314.12","OVCAR5_CBPR_2":"2105114.221","OVCAR5_CBPR_3":"1730348.239","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"1728556.182","OVCAR5_Parent_3":"1638104.537","RPMI_IST_1":"7393143.079","RPMI_IST_2":"7608805.298","QC_ov_1":"956537.0063","QC_ov_2":"1075574.462","QC_ov_3":"1116594.182"},{"Metabolite":"Asp/Arg/Arg/Thr/Tyr","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"679852.9595","CaOV3_CBPR_3":"822774.5922","CaOV3_Parent_1":"524561.5279","CaOV3_Parent_2":"776290.8489","CaOV3_Parent_3":"452321.485","DMEM_IST_1":"2205892.21","DMEM_IST_2":"3296369.334","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"447195.6881","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"7296311.331","RPMI_IST_2":"7322415.505","QC_ov_1":"0","QC_ov_2":"489843.6808","QC_ov_3":"521888.0099"},{"Metabolite":"gamma-Glutamylvaline","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1086681.358","CaOV3_CBPR_2":"1061570.23","CaOV3_CBPR_3":"826658.2977","CaOV3_Parent_1":"3725993.463","CaOV3_Parent_2":"2920319.849","CaOV3_Parent_3":"3408855.098","DMEM_IST_1":"330270.9249","DMEM_IST_2":"201563.6687","OVCAR5_CBPR_1":"341367.0177","OVCAR5_CBPR_2":"264239.2667","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"284758.2903","RPMI_IST_1":"447006.3978","RPMI_IST_2":"320732.157","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"PI(18:1/20:4)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"727463.9687","CaOV3_CBPR_2":"2787306.958","CaOV3_CBPR_3":"1483862.381","CaOV3_Parent_1":"2314767.841","CaOV3_Parent_2":"2519244.146","CaOV3_Parent_3":"3113314.265","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"822409.003","OVCAR5_CBPR_2":"1196153.12","OVCAR5_CBPR_3":"894647.7513","OVCAR5_Parent_1":"2246591.98","OVCAR5_Parent_2":"2097064.247","OVCAR5_Parent_3":"1572244.501","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1822009.607","QC_ov_2":"1687164.038","QC_ov_3":"1726739.73"},{"Metabolite":"2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3133588.173","CaOV3_CBPR_2":"3836636.971","CaOV3_CBPR_3":"3705835.652","CaOV3_Parent_1":"2724423.711","CaOV3_Parent_2":"2645413.876","CaOV3_Parent_3":"2344978.281","DMEM_IST_1":"535874.3783","DMEM_IST_2":"0","OVCAR5_CBPR_1":"2645121.785","OVCAR5_CBPR_2":"1849808.524","OVCAR5_CBPR_3":"1913364.461","OVCAR5_Parent_1":"7097288.055","OVCAR5_Parent_2":"3962204.464","OVCAR5_Parent_3":"4446088.587","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"4706125.202","QC_ov_2":"3759517.416","QC_ov_3":"3671114.119"},{"Metabolite":"FA oxo(16:0)","Blank_1":"0","Blank_2":"641405.1502","Blank_3":"532076.9068","CaOV3_CBPR_1":"2918093.801","CaOV3_CBPR_2":"3558939.363","CaOV3_CBPR_3":"2730873.874","CaOV3_Parent_1":"3017846.891","CaOV3_Parent_2":"4174824.917","CaOV3_Parent_3":"2560084.063","DMEM_IST_1":"2672576.298","DMEM_IST_2":"2254670.805","OVCAR5_CBPR_1":"1303806.663","OVCAR5_CBPR_2":"1286895.318","OVCAR5_CBPR_3":"1187787.028","OVCAR5_Parent_1":"1803556.429","OVCAR5_Parent_2":"1071665.515","OVCAR5_Parent_3":"2042805.853","RPMI_IST_1":"3804450.181","RPMI_IST_2":"3267949.218","QC_ov_1":"2314695.81","QC_ov_2":"2022471.789","QC_ov_3":"1846266.568"},{"Metabolite":"Glucosylsphingosine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3057845.946","CaOV3_CBPR_2":"3273689.241","CaOV3_CBPR_3":"4148489.569","CaOV3_Parent_1":"3381174.024","CaOV3_Parent_2":"3814539.122","CaOV3_Parent_3":"2865487.985","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1516267.45","QC_ov_2":"1436148.54","QC_ov_3":"1511892.722"},{"Metabolite":"(R) 2,3-Dihydroxy-3-methylvalerate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"3013749.68","CaOV3_CBPR_2":"1902726.207","CaOV3_CBPR_3":"1944003.694","CaOV3_Parent_1":"2866316.124","CaOV3_Parent_2":"2976678.634","CaOV3_Parent_3":"3446177.359","DMEM_IST_1":"682995.5894","DMEM_IST_2":"586695.7477","OVCAR5_CBPR_1":"471770.5507","OVCAR5_CBPR_2":"458567.9509","OVCAR5_CBPR_3":"433886.9721","OVCAR5_Parent_1":"389827.8248","OVCAR5_Parent_2":"433145.638","OVCAR5_Parent_3":"465574.7655","RPMI_IST_1":"564549.5249","RPMI_IST_2":"516773.932","QC_ov_1":"988956.0494","QC_ov_2":"1106827.975","QC_ov_3":"952565.6301"},{"Metabolite":"N-phosphocreatinate(2-)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"787471.7233","CaOV3_CBPR_2":"894071.0355","CaOV3_CBPR_3":"991288.6362","CaOV3_Parent_1":"1035845.309","CaOV3_Parent_2":"544173.0157","CaOV3_Parent_3":"796770.8177","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"1763206.022","OVCAR5_CBPR_2":"2952335.77","OVCAR5_CBPR_3":"3761903.819","OVCAR5_Parent_1":"3439295.432","OVCAR5_Parent_2":"6159626.54","OVCAR5_Parent_3":"5318983.546","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1652034.109","QC_ov_2":"2335785.579","QC_ov_3":"2137822.103"},{"Metabolite":"Ethiin","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"5345932.413","DMEM_IST_2":"5671114.295","OVCAR5_CBPR_1":"501643.0121","OVCAR5_CBPR_2":"837559.8899","OVCAR5_CBPR_3":"252578.7627","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"1466428.242","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"217085.3926","QC_ov_2":"179135.4153","QC_ov_3":"200729.4722"},{"Metabolite":"N-Nitrosoproline","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"640990.3946","CaOV3_CBPR_2":"536714.8516","CaOV3_CBPR_3":"593302.6638","CaOV3_Parent_1":"2749113.285","CaOV3_Parent_2":"823091.329","CaOV3_Parent_3":"2185123.709","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"146686.8072","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1432831.339","QC_ov_2":"1468590.158","QC_ov_3":"1574456.36"},{"Metabolite":"1-thio--D-glucose","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"305660.9657","CaOV3_CBPR_2":"153674.3349","CaOV3_CBPR_3":"136557.4867","CaOV3_Parent_1":"240338.5326","CaOV3_Parent_2":"294797.9748","CaOV3_Parent_3":"278325.7128","DMEM_IST_1":"0","DMEM_IST_2":"218266.5842","OVCAR5_CBPR_1":"217247.1601","OVCAR5_CBPR_2":"237296.2333","OVCAR5_CBPR_3":"347084.5117","OVCAR5_Parent_1":"1202956.284","OVCAR5_Parent_2":"1367001.797","OVCAR5_Parent_3":"981334.5724","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"356287.1542","QC_ov_2":"397885.4604","QC_ov_3":"517938.2703"},{"Metabolite":"cis-Acetylacrylate","Blank_1":"0","Blank_2":"0","Blank_3":"604266.2211","CaOV3_CBPR_1":"2594280.778","CaOV3_CBPR_2":"2341022.61","CaOV3_CBPR_3":"2302204.874","CaOV3_Parent_1":"2492521.509","CaOV3_Parent_2":"2776704.768","CaOV3_Parent_3":"2606684.681","DMEM_IST_1":"2254903.661","DMEM_IST_2":"4503919.582","OVCAR5_CBPR_1":"3115544.493","OVCAR5_CBPR_2":"2985378.874","OVCAR5_CBPR_3":"2778835.959","OVCAR5_Parent_1":"1142570.564","OVCAR5_Parent_2":"2398292.267","OVCAR5_Parent_3":"2611854.694","RPMI_IST_1":"4829607.821","RPMI_IST_2":"5147134.767","QC_ov_1":"1804270.08","QC_ov_2":"2085626.115","QC_ov_3":"2236750.57"},{"Metabolite":"Carmustine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1558248.661","CaOV3_CBPR_2":"887644.8755","CaOV3_CBPR_3":"1285152.019","CaOV3_Parent_1":"1923020.36","CaOV3_Parent_2":"2321682.965","CaOV3_Parent_3":"2591850.416","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"738225.0658","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"435310.5596","QC_ov_2":"647697.2005","QC_ov_3":"645186.8144"},{"Metabolite":"Hydroxypyruvic acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"549308.3891","CaOV3_CBPR_2":"387250.069","CaOV3_CBPR_3":"351102.8086","CaOV3_Parent_1":"2290453.212","CaOV3_Parent_2":"803075.2254","CaOV3_Parent_3":"1017376.502","DMEM_IST_1":"504434.4446","DMEM_IST_2":"1173059.281","OVCAR5_CBPR_1":"307065.3172","OVCAR5_CBPR_2":"384478.8551","OVCAR5_CBPR_3":"255529.1654","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"306428.6206","OVCAR5_Parent_3":"0","RPMI_IST_1":"726791.7821","RPMI_IST_2":"619517.5224","QC_ov_1":"282331.1443","QC_ov_2":"238119.3372","QC_ov_3":"267955.1044"},{"Metabolite":"Cys/Lys/Lys/Gln/Arg","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"3721675.215","DMEM_IST_2":"4509084.913","OVCAR5_CBPR_1":"453848.9348","OVCAR5_CBPR_2":"959098.7514","OVCAR5_CBPR_3":"381606.3534","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"1459825.655","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"216536.9407","QC_ov_2":"289494.3048","QC_ov_3":"276758.9317"},{"Metabolite":"PG(16:0/18:2)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"391984.0234","CaOV3_CBPR_2":"2560031.745","CaOV3_CBPR_3":"1725856.918","CaOV3_Parent_1":"1924850.303","CaOV3_Parent_2":"1524877.217","CaOV3_Parent_3":"1845361.057","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"894444.5173","OVCAR5_CBPR_2":"1898158.144","OVCAR5_CBPR_3":"1715807.937","OVCAR5_Parent_1":"4712668.805","OVCAR5_Parent_2":"4172045.058","OVCAR5_Parent_3":"3097024.906","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"1579179.917","QC_ov_2":"1783205.484","QC_ov_3":"1769649.919"},{"Metabolite":"PA(30:3)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"2906958.709","CaOV3_CBPR_2":"2290824.925","CaOV3_CBPR_3":"2263426.751","CaOV3_Parent_1":"1367650.83","CaOV3_Parent_2":"1812292.072","CaOV3_Parent_3":"1486510.59","DMEM_IST_1":"3088666.841","DMEM_IST_2":"2831021.128","OVCAR5_CBPR_1":"3770803.167","OVCAR5_CBPR_2":"3819403.437","OVCAR5_CBPR_3":"3908392.345","OVCAR5_Parent_1":"4447656.705","OVCAR5_Parent_2":"3397693.265","OVCAR5_Parent_3":"4385864.241","RPMI_IST_1":"2505186.479","RPMI_IST_2":"2341667.271","QC_ov_1":"2293400.989","QC_ov_2":"2139388.141","QC_ov_3":"2131855.388"},{"Metabolite":"1-carboxymethylpyridinium","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"174169.742","CaOV3_Parent_3":"161400.49","DMEM_IST_1":"3494446.806","DMEM_IST_2":"3941267.909","OVCAR5_CBPR_1":"355466.9209","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"3867875.846","RPMI_IST_2":"3842554.174","QC_ov_1":"153291.0913","QC_ov_2":"0","QC_ov_3":"219825.1391"},{"Metabolite":"Glyceric acid","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"528865.7638","CaOV3_CBPR_2":"623059.2639","CaOV3_CBPR_3":"796617.1653","CaOV3_Parent_1":"1870727.878","CaOV3_Parent_2":"1492719.584","CaOV3_Parent_3":"1669197.415","DMEM_IST_1":"987569.3675","DMEM_IST_2":"983057.125","OVCAR5_CBPR_1":"960570.0654","OVCAR5_CBPR_2":"866132.7346","OVCAR5_CBPR_3":"974305.6767","OVCAR5_Parent_1":"686781.4317","OVCAR5_Parent_2":"813038.1729","OVCAR5_Parent_3":"918810.4853","RPMI_IST_1":"1155476.616","RPMI_IST_2":"1186854.423","QC_ov_1":"1115912.015","QC_ov_2":"1024554.599","QC_ov_3":"963380.6074"},{"Metabolite":"PGP(a-13:0/i-22:0)","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"998520.7978","CaOV3_CBPR_3":"874854.2315","CaOV3_Parent_1":"1318096.657","CaOV3_Parent_2":"1267289.486","CaOV3_Parent_3":"1392777.621","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"379565.233","QC_ov_2":"467506.8999","QC_ov_3":"357265.2797"},{"Metabolite":"pyrithiamine phosphate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"655980.0789","CaOV3_CBPR_2":"280620.0853","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"1437190.463","CaOV3_Parent_2":"1025464.877","CaOV3_Parent_3":"1911446.113","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Malonic semialdehyde","Blank_1":"0","Blank_2":"493277.6143","Blank_3":"603282.3577","CaOV3_CBPR_1":"1047384.525","CaOV3_CBPR_2":"1199926.165","CaOV3_CBPR_3":"1424161","CaOV3_Parent_1":"1468878.598","CaOV3_Parent_2":"1249443.436","CaOV3_Parent_3":"1277651.842","DMEM_IST_1":"393240.8212","DMEM_IST_2":"643512.6508","OVCAR5_CBPR_1":"576036.1108","OVCAR5_CBPR_2":"581285.1069","OVCAR5_CBPR_3":"662361.0142","OVCAR5_Parent_1":"407649.3771","OVCAR5_Parent_2":"518374.6854","OVCAR5_Parent_3":"549611.8338","RPMI_IST_1":"670788.7356","RPMI_IST_2":"606017.0121","QC_ov_1":"766330.9935","QC_ov_2":"970155.0799","QC_ov_3":"905957.2109"},{"Metabolite":"FMPP","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"206568.9114","OVCAR5_CBPR_3":"259344.7357","OVCAR5_Parent_1":"142333.1359","OVCAR5_Parent_2":"214011.8557","OVCAR5_Parent_3":"170879.3333","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"150693.1124","QC_ov_2":"158749.0565","QC_ov_3":"162523.524"},{"Metabolite":"hydroxypyridine N-oxide","Blank_1":"0","Blank_2":"0","Blank_3":"173166.0283","CaOV3_CBPR_1":"1125318.158","CaOV3_CBPR_2":"1231346.093","CaOV3_CBPR_3":"1459724.772","CaOV3_Parent_1":"1269229.454","CaOV3_Parent_2":"1228263.979","CaOV3_Parent_3":"1065744.291","DMEM_IST_1":"49083.32689","DMEM_IST_2":"86754.14618","OVCAR5_CBPR_1":"60984.69638","OVCAR5_CBPR_2":"64840.91883","OVCAR5_CBPR_3":"65618.22073","OVCAR5_Parent_1":"86923.36498","OVCAR5_Parent_2":"79325.03406","OVCAR5_Parent_3":"69006.39336","RPMI_IST_1":"67206.34295","RPMI_IST_2":"69294.24356","QC_ov_1":"632384.3097","QC_ov_2":"673591.3124","QC_ov_3":"668504.8207"},{"Metabolite":"Deoxyuridine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"664658.9607","DMEM_IST_2":"770937.8327","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"814069.7041","RPMI_IST_2":"978122.8457","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"112662.8394"},{"Metabolite":"4'-methoxycyclopenine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"1307971.342","DMEM_IST_2":"1600283.602","OVCAR5_CBPR_1":"1874394.009","OVCAR5_CBPR_2":"1891849.512","OVCAR5_CBPR_3":"1828372.806","OVCAR5_Parent_1":"1651184.895","OVCAR5_Parent_2":"1924152.622","OVCAR5_Parent_3":"1654402.037","RPMI_IST_1":"2496645.494","RPMI_IST_2":"2458517.418","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"casuarine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"1263367.454","CaOV3_CBPR_2":"1456869.952","CaOV3_CBPR_3":"1612708.58","CaOV3_Parent_1":"1214296.344","CaOV3_Parent_2":"1226932.297","CaOV3_Parent_3":"1134250.783","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"679376.4828","QC_ov_2":"643829.1474","QC_ov_3":"660628.8981"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)proline","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"1050822.602","CaOV3_Parent_2":"795501.3973","CaOV3_Parent_3":"1239030.308","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Norepinephrine sulfate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"977108.23","CaOV3_CBPR_2":"862875.5295","CaOV3_CBPR_3":"981951.2555","CaOV3_Parent_1":"1095687.841","CaOV3_Parent_2":"975238.377","CaOV3_Parent_3":"1054773.674","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"330846.2599","QC_ov_2":"459702.3882","QC_ov_3":"415336.1247"},{"Metabolite":"Secobarbital","Blank_1":"5748962.632","Blank_2":"6207099.98","Blank_3":"5405646.01","CaOV3_CBPR_1":"1341441.847","CaOV3_CBPR_2":"1155554.976","CaOV3_CBPR_3":"1152760.347","CaOV3_Parent_1":"677081.3447","CaOV3_Parent_2":"947787.0535","CaOV3_Parent_3":"701502.8466","DMEM_IST_1":"1930684.417","DMEM_IST_2":"1728664.678","OVCAR5_CBPR_1":"1609589.786","OVCAR5_CBPR_2":"1842595.047","OVCAR5_CBPR_3":"1640255.37","OVCAR5_Parent_1":"1800513.531","OVCAR5_Parent_2":"1736307.511","OVCAR5_Parent_3":"1939419.609","RPMI_IST_1":"1645025.724","RPMI_IST_2":"1634059.26","QC_ov_1":"1111248.012","QC_ov_2":"1111823.009","QC_ov_3":"993575.3487"},{"Metabolite":"ADP-Mannose","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"385493.2875","CaOV3_CBPR_2":"280821.2055","CaOV3_CBPR_3":"350477.9107","CaOV3_Parent_1":"331275.0193","CaOV3_Parent_2":"363154.6177","CaOV3_Parent_3":"301799.0606","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"316564.8446","OVCAR5_CBPR_2":"370598.2454","OVCAR5_CBPR_3":"494612.2526","OVCAR5_Parent_1":"315736.1312","OVCAR5_Parent_2":"413734.0999","OVCAR5_Parent_3":"509644.5515","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"256938.2571","QC_ov_2":"301485.1209","QC_ov_3":"341904.622"},{"Metabolite":"Ala/Ile/Ile/Val/Val","Blank_1":"6025024.323","Blank_2":"5564413.035","Blank_3":"5170989.816","CaOV3_CBPR_1":"1323791.77","CaOV3_CBPR_2":"1208857.428","CaOV3_CBPR_3":"1187691.453","CaOV3_Parent_1":"674632.2882","CaOV3_Parent_2":"930290.2226","CaOV3_Parent_3":"730498.3648","DMEM_IST_1":"1716103.593","DMEM_IST_2":"1621697.307","OVCAR5_CBPR_1":"1549643.459","OVCAR5_CBPR_2":"1770647.454","OVCAR5_CBPR_3":"1563704.876","OVCAR5_Parent_1":"1769420.247","OVCAR5_Parent_2":"1735016.08","OVCAR5_Parent_3":"1816178.56","RPMI_IST_1":"1799906.883","RPMI_IST_2":"1600499.475","QC_ov_1":"1008453.764","QC_ov_2":"1181725.054","QC_ov_3":"1117709.365"},{"Metabolite":"5-Pyridoxolactone","Blank_1":"0","Blank_2":"0","Blank_3":"445083.8555","CaOV3_CBPR_1":"828106.5752","CaOV3_CBPR_2":"637852.6219","CaOV3_CBPR_3":"718264.5268","CaOV3_Parent_1":"887387.4182","CaOV3_Parent_2":"918252.9804","CaOV3_Parent_3":"927936.2389","DMEM_IST_1":"529378.3588","DMEM_IST_2":"490482.8555","OVCAR5_CBPR_1":"395157.6729","OVCAR5_CBPR_2":"400976.2336","OVCAR5_CBPR_3":"333185.1829","OVCAR5_Parent_1":"306621.1998","OVCAR5_Parent_2":"405811.3775","OVCAR5_Parent_3":"409277.1857","RPMI_IST_1":"548734.889","RPMI_IST_2":"546688.8664","QC_ov_1":"374391.0809","QC_ov_2":"384002.399","QC_ov_3":"438454.7687"},{"Metabolite":"4-Hydroxymethylphenylhydrazine","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"732758.2526","CaOV3_CBPR_2":"541311.124","CaOV3_CBPR_3":"504358.2054","CaOV3_Parent_1":"663253.1736","CaOV3_Parent_2":"691695.9278","CaOV3_Parent_3":"723258.6612","DMEM_IST_1":"1017308.913","DMEM_IST_2":"984048.6412","OVCAR5_CBPR_1":"779867.2632","OVCAR5_CBPR_2":"643671.2087","OVCAR5_CBPR_3":"491797.5202","OVCAR5_Parent_1":"391312.7878","OVCAR5_Parent_2":"468398.5047","OVCAR5_Parent_3":"633097.6945","RPMI_IST_1":"860205.1388","RPMI_IST_2":"850458.8619","QC_ov_1":"478878.0753","QC_ov_2":"499063.8534","QC_ov_3":"496081.9987"},{"Metabolite":"Quercetin 3'-sulfate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"576077.3198","CaOV3_CBPR_2":"584748.9683","CaOV3_CBPR_3":"710615.8982","CaOV3_Parent_1":"684266.3164","CaOV3_Parent_2":"689953.0203","CaOV3_Parent_3":"629518.1377","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Voglibose","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"1089561.524","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"150596.0447","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"1329508.376","RPMI_IST_2":"1179286.847","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Glyceryl lactopalmitate","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"306961.4281","CaOV3_CBPR_2":"297288.0433","CaOV3_CBPR_3":"456227.9402","CaOV3_Parent_1":"664576.713","CaOV3_Parent_2":"622908.6221","CaOV3_Parent_3":"627966.9591","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"169759.8613","QC_ov_2":"196721.5221","QC_ov_3":"159549.045"},{"Metabolite":"His/Met/Phe/Gly","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"783757.3096","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"1052701.58","RPMI_IST_2":"1071141.927","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"aureothricin","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"123179.528","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"99336.88815","CaOV3_Parent_2":"102730.7251","CaOV3_Parent_3":"96463.24358","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"413150.776","OVCAR5_CBPR_2":"417548.831","OVCAR5_CBPR_3":"450795.0469","OVCAR5_Parent_1":"852415.6507","OVCAR5_Parent_2":"1027934.295","OVCAR5_Parent_3":"925268.2986","RPMI_IST_1":"0","RPMI_IST_2":"0","QC_ov_1":"307659.4539","QC_ov_2":"356041.6105","QC_ov_3":"324836.3162"},{"Metabolite":"Gln/Leu/Lys/Tyr","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"227972.2479","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"794412.0778","RPMI_IST_2":"757847.3143","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"rCdRP","Blank_1":"0","Blank_2":"0","Blank_3":"0","CaOV3_CBPR_1":"0","CaOV3_CBPR_2":"0","CaOV3_CBPR_3":"0","CaOV3_Parent_1":"0","CaOV3_Parent_2":"0","CaOV3_Parent_3":"0","DMEM_IST_1":"0","DMEM_IST_2":"0","OVCAR5_CBPR_1":"0","OVCAR5_CBPR_2":"0","OVCAR5_CBPR_3":"0","OVCAR5_Parent_1":"0","OVCAR5_Parent_2":"0","OVCAR5_Parent_3":"0","RPMI_IST_1":"721449.4205","RPMI_IST_2":"682960.5354","QC_ov_1":"0","QC_ov_2":"0","QC_ov_3":"0"},{"Metabolite":"Brassicanal B","Blank_1":"1963613.395","Blank_2":"2108749.2","Blank_3":"2310244.257","CaOV3_CBPR_1":"410638.0042","CaOV3_CBPR_2":"381523.8603","CaOV3_CBPR_3":"480251.3241","CaOV3_Parent_1":"277785.3323","CaOV3_Parent_2":"402704.2833","CaOV3_Parent_3":"334987.5744","DMEM_IST_1":"556254.4749","DMEM_IST_2":"652236.0437","OVCAR5_CBPR_1":"618893.6655","OVCAR5_CBPR_2":"551444.9987","OVCAR5_CBPR_3":"559167.7651","OVCAR5_Parent_1":"634865.2378","OVCAR5_Parent_2":"567994.069","OVCAR5_Parent_3":"533458.2689","RPMI_IST_1":"632553.1271","RPMI_IST_2":"704464.5841","QC_ov_1":"368584.81","QC_ov_2":"437003.0733","QC_ov_3":"421366.7132"}],

"Metabolites":[{"Metabolite":"10-hydroxy-undecanoic acid","retention time":"6.747055435","Mass":"202.1564587","KEGGid":"0","Lmid":"LMFA01050161","InchiKEY":"UHZWUNLTEZCDMA-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"sodium dodecyl sulfate","retention time":"3.235886269","Mass":"266.1545607","KEGGid":"0","Lmid":"0","InchiKEY":"MOTZDAYCYVMXPC-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"xi-gamma-Undecalactone","retention time":"3.558906405","Mass":"184.1458584","KEGGid":"C08571","Lmid":"LMFA07040030","InchiKEY":"PHXATPHONSXBIL-UHFFFAOYSA-N","HMDBID":"HMDB0038311"},{"Metabolite":"Lactic acid","retention time":"10.13644117","Mass":"90.03143587","KEGGid":"C00186_C00256","Lmid":"LMFA01050002","InchiKEY":"JVTAAEKCZFNVCJ-REOHCLBHSA-N","HMDBID":"HMDB00190_HMDB01311_HMDB0144295_HMDB0000190_HMDB0001311"},{"Metabolite":"3''-Chloro-3''-deoxytriphasiol","retention time":"3.627830949","Mass":"366.1239406","KEGGid":"0","Lmid":"0","InchiKEY":"ABSHGVKRCLSRQK-UHFFFAOYSA-N","HMDBID":"HMDB0041136"},{"Metabolite":"Palmitic acid","retention time":"3.32601752","Mass":"256.2396312","KEGGid":"C00249","Lmid":"LMFA01010001_LMFA01010046","InchiKEY":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","HMDBID":"HMDB00220_HMDB0000220"},{"Metabolite":"alpha-Ketoisovaleric acid","retention time":"7.10670915","Mass":"116.0470456","KEGGid":"C00141","Lmid":"LMFA01020274","InchiKEY":"QHKABHOOEWYVLI-UHFFFAOYSA-N","HMDBID":"HMDB00019_HMDB0000019"},{"Metabolite":"Stearic acid","retention time":"3.246804612","Mass":"284.2708941","KEGGid":"C01530","Lmid":"LMFA01010018_LMFA01010047","InchiKEY":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","HMDBID":"HMDB00827_HMDB0000827"},{"Metabolite":"2-C-Methyl-D-erythritol 4-phosphate","retention time":"14.96806125","Mass":"216.0396945","KEGGid":"C11434","Lmid":"0","InchiKEY":"XMWHRVNVKDKBRG-UHNVWZDZSA-N","HMDBID":"0"},{"Metabolite":"Malic acid","retention time":"16.65847421","Mass":"134.0212126","KEGGid":"C00497_C00149_C03668","Lmid":"0","InchiKEY":"BJEPYKJPYRNKOW-REOHCLBHSA-N","HMDBID":"HMDB0031518_HMDB0000156_HMDB00156_HMDB0000744"},{"Metabolite":"1-Nitrohexane","retention time":"10.79952876","Mass":"131.0942772","KEGGid":"0","Lmid":"0","InchiKEY":"RPBWECFHDHMPJN-UHFFFAOYSA-N","HMDBID":"HMDB0013812"},{"Metabolite":"tyrosinal","retention time":"9.671934616","Mass":"165.078622","KEGGid":"0","Lmid":"0","InchiKEY":"DXGAIOIQACHYRK-QMMMGPOBSA-O","HMDBID":"0"},{"Metabolite":"5-Dehydro-4-deoxy-D-glucarate","retention time":"18.90055817","Mass":"192.0265976","KEGGid":"C03921_C00679","Lmid":"0","InchiKEY":"QUURPCHWPQNNGL-ZAFYKAAXSA-N","HMDBID":"0"},{"Metabolite":"Phenyllactic acid","retention time":"7.084584743","Mass":"166.0626281","KEGGid":"C05607_C01479","Lmid":"0","InchiKEY":"VOXXWSYKYCBWHO-QMMMGPOBSA-N","HMDBID":"HMDB00748_HMDB0000748_HMDB0000779_HMDB00563_HMDB0000563"},{"Metabolite":"Hydroxyphenyllactic acid","retention time":"9.450041504","Mass":"182.0575188","KEGGid":"C03964_C03672","Lmid":"0","InchiKEY":"JVGVDSSUAVXRDY-UHFFFAOYSA-N","HMDBID":"HMDB00755_HMDB0000755"},{"Metabolite":"4-methylmorpholine N-oxide","retention time":"12.13419421","Mass":"117.0786776","KEGGid":"0","Lmid":"0","InchiKEY":"IRPGPGLVZOAFCU-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Tyrosine","retention time":"12.83627084","Mass":"181.073526","KEGGid":"C06420_C00082_C01536","Lmid":"0","InchiKEY":"OUYCCCASQSFEME-QMMMGPOBSA-N","HMDBID":"HMDB0000158_HMDB00158"},{"Metabolite":"5-Hydroxypentanoic acid","retention time":"7.103630397","Mass":"118.0627085","KEGGid":"C02804","Lmid":"LMFA01050010","InchiKEY":"PHOJOSOUIAQEDH-UHFFFAOYSA-N","HMDBID":"HMDB0061927"},{"Metabolite":"2-Hydroxy-4-(methylthio)butanoic acid","retention time":"7.108502625","Mass":"150.0347386","KEGGid":"0","Lmid":"LMFA01050480","InchiKEY":"ONFOSYPQQXJWGS-UHFFFAOYSA-N","HMDBID":"HMDB0037115"},{"Metabolite":"Oxoglutaric acid","retention time":"16.37010951","Mass":"146.0212043","KEGGid":"C00026","Lmid":"0","InchiKEY":"KPGXRSRHYNQIFN-UHFFFAOYSA-N","HMDBID":"HMDB0000208_HMDB00208"},{"Metabolite":"Myristic acid","retention time":"3.382174149","Mass":"228.2084743","KEGGid":"C06424","Lmid":"LMFA01010044_LMFA01010014","InchiKEY":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","HMDBID":"HMDB00806_HMDB0000806"},{"Metabolite":"5-Sulfoxymethylfurfural","retention time":"7.284512716","Mass":"205.9880412","KEGGid":"0","Lmid":"0","InchiKEY":"WVMJEBICTINBRO-UHFFFAOYSA-N","HMDBID":"HMDB0059752"},{"Metabolite":"FA methyl(8:0)","retention time":"3.710087477","Mass":"158.1302943","KEGGid":"0","Lmid":"LMFA01020270_LMFA01020002","InchiKEY":"GPOPHQSTNHUENT-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"4-Hydroxy tolbutamide","retention time":"7.095651136","Mass":"286.0980809","KEGGid":"0","Lmid":"0","InchiKEY":"SJRHYONYKZIRPM-UHFFFAOYSA-N","HMDBID":"HMDB0006408_HMDB06408"},{"Metabolite":"Fructose","retention time":"14.40087026","Mass":"180.0630493","KEGGid":"C00095","Lmid":"0","InchiKEY":"RFSUNEUAIZKAJO-VRPWFDPXSA-N","HMDBID":"HMDB00660"},{"Metabolite":"N-Undecylbenzenesulfonic acid","retention time":"3.211651385","Mass":"312.1753175","KEGGid":"0","Lmid":"0","InchiKEY":"UCDCOJNNUVYFKJ-UHFFFAOYSA-N","HMDBID":"HMDB0032549"},{"Metabolite":"Argenonic acid","retention time":"3.542794177","Mass":"514.421962","KEGGid":"0","Lmid":"LMFA01020397","InchiKEY":"CGTVVCFTVVGYPL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Dodecanoic acid","retention time":"3.463230851","Mass":"200.1772116","KEGGid":"C02679","Lmid":"LMFA01010043_LMFA01010012","InchiKEY":"POULHZVOKOAJMA-UHFFFAOYSA-N","HMDBID":"HMDB00638_HMDB0000638"},{"Metabolite":"octadecenoic acid","retention time":"3.2619292","Mass":"282.2553389","KEGGid":"0","Lmid":"LMFA01030069_LMFA01030068","InchiKEY":"RVUCYJXFCAVHNC-QXMHVHEDSA-N","HMDBID":"HMDB0062242"},{"Metabolite":"Succinic acid","retention time":"15.74360317","Mass":"118.0263363","KEGGid":"C00042","Lmid":"LMFA01170043","InchiKEY":"KDYFGRWQOYBRFD-UHFFFAOYSA-N","HMDBID":"HMDB0000254_HMDB00254"},{"Metabolite":"Ala/Leu/Arg/Arg","retention time":"27.48684565","Mass":"514.3351954","KEGGid":"0","Lmid":"0","InchiKEY":"QIZWXDNUXMRQLW-AJNGGQMLSA-N","HMDBID":"0"},{"Metabolite":"indole-3-acetyl-isoleucine","retention time":"3.636291665","Mass":"288.1468731","KEGGid":"0","Lmid":"0","InchiKEY":"WPTUQMUCTTVOFW-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid","retention time":"8.385433907","Mass":"180.0418761","KEGGid":"C05350","Lmid":"0","InchiKEY":"GQYBCIHRWMPOOF-YVMONPNESA-N","HMDBID":"HMDB06915_HMDB0006915"},{"Metabolite":"Phytuberin","retention time":"3.464732501","Mass":"294.1827039","KEGGid":"C09709","Lmid":"0","InchiKEY":"YARAJYKHRCCDLG-UHFFFAOYSA-N","HMDBID":"HMDB0035754"},{"Metabolite":"2-Hydroxycaproic acid","retention time":"7.070613451","Mass":"132.0783248","KEGGid":"0","Lmid":"LMFA01050011","InchiKEY":"NYHNVHGFPZAZGA-UHFFFAOYSA-N","HMDBID":"HMDB01624_HMDB0001624"},{"Metabolite":"2-Dodecylbenzenesulfonic acid","retention time":"3.161508557","Mass":"326.1908344","KEGGid":"0","Lmid":"0","InchiKEY":"WBIQQQGBSDOWNP-UHFFFAOYSA-N","HMDBID":"HMDB0031031"},{"Metabolite":"Capric acid","retention time":"3.596974163","Mass":"172.1459753","KEGGid":"C01571","Lmid":"LMFA01010010","InchiKEY":"GHVNFZFCNZKVNT-UHFFFAOYSA-N","HMDBID":"HMDB00511_HMDB0000511"},{"Metabolite":"N-Acetyl-D-mannosaminolactone","retention time":"10.35212314","Mass":"219.0738866","KEGGid":"C03776","Lmid":"0","InchiKEY":"NELQYZRSPDCGRQ-XZBKPIIZSA-N","HMDBID":"0"},{"Metabolite":"Pyruvic acid","retention time":"8.722157949","Mass":"88.01578491","KEGGid":"C00022","Lmid":"LMFA01060077","InchiKEY":"LCTONWCANYUPML-UHFFFAOYSA-N","HMDBID":"HMDB0000243_HMDB00243"},{"Metabolite":"N-Acetyl-beta-alanine","retention time":"14.28775001","Mass":"131.0579631","KEGGid":"C01073","Lmid":"0","InchiKEY":"LJLLAWRMBZNPMO-UHFFFAOYSA-N","HMDBID":"HMDB0061880"},{"Metabolite":"Pimelic acid","retention time":"7.077614568","Mass":"160.0731304","KEGGid":"C02656","Lmid":"LMFA01170051","InchiKEY":"WLJVNTCWHIRURA-UHFFFAOYSA-N","HMDBID":"HMDB0000857_HMDB00857"},{"Metabolite":"N3-hydroxyethylcytosine","retention time":"14.51896763","Mass":"155.0691884","KEGGid":"0","Lmid":"0","InchiKEY":"ZAGKTYWNXIFDQK-UHFFFAOYSA-O","HMDBID":"0"},{"Metabolite":"2-trans,6-trans-Farnesal","retention time":"3.460189578","Mass":"220.1821894","KEGGid":"C03461","Lmid":"LMPR0103010012_LMPR0103010007","InchiKEY":"YHRUHBBTQZKMEX-YFVJMOTDSA-N","HMDBID":"HMDB0060356"},{"Metabolite":"Galactose","retention time":"13.5749462","Mass":"180.0630079","KEGGid":"C00124_C00984","Lmid":"0","InchiKEY":"WQZGKKKJIJFFOK-SVZMEOIVSA-N","HMDBID":"HMDB0033704_HMDB00143"},{"Metabolite":"2-Hydroxyglutaric acid","retention time":"15.75216405","Mass":"148.0368306","KEGGid":"C02630_C03196_C01087","Lmid":"LMFA01050483","InchiKEY":"HWXBTNAVRSUOJR-GSVOUGTGSA-N","HMDBID":"HMDB00606_HMDB0000606_HMDB0000694_HMDB00694_HMDB0059655"},{"Metabolite":"PG(22:6/22:6)","retention time":"2.99679601","Mass":"866.5074347","KEGGid":"0","Lmid":"LMGP04010977","InchiKEY":"XACKZSRNTPEYBU-ZGXYWNPTSA-N","HMDBID":"HMDB0116605"},{"Metabolite":"UDP-2-acetamido-3-acetamidino-2,3-dideoxy--D-mannuronate","retention time":"7.333868069","Mass":"661.1056649","KEGGid":"0","Lmid":"0","InchiKEY":"MZPFKUNCKIWISV-ZVWGYSLJSA-L","HMDBID":"0"},{"Metabolite":"Undecanoic acid","retention time":"3.515979163","Mass":"186.1615041","KEGGid":"C17715","Lmid":"LMFA01010011","InchiKEY":"ZDPHROOEEOARMN-UHFFFAOYSA-N","HMDBID":"HMDB0000947_HMDB00947"},{"Metabolite":"Citric acid","retention time":"20.08283747","Mass":"192.0266328","KEGGid":"C00158","Lmid":"0","InchiKEY":"KRKNYBCHXYNGOX-UHFFFAOYSA-N","HMDBID":"HMDB00094_HMDB0000094"},{"Metabolite":"N-Desmethylzopiclone","retention time":"8.732777681","Mass":"374.0900728","KEGGid":"0","Lmid":"0","InchiKEY":"CGSFZSTXVVJLIX-UHFFFAOYSA-N","HMDBID":"HMDB0060541"},{"Metabolite":"Glycerol 3-phosphate","retention time":"13.84512806","Mass":"172.0132781","KEGGid":"C00093_C00623","Lmid":"0","InchiKEY":"AWUCVROLDVIAJX-GSVOUGTGSA-N","HMDBID":"HMDB00126_HMDB0000126"},{"Metabolite":"Cys/Met/Met/Met/Trp","retention time":"3.813488476","Mass":"700.2214984","KEGGid":"0","Lmid":"0","InchiKEY":"QNGVCVWXSGKIHH-DUSBTPNUSA-N","HMDBID":"0"},{"Metabolite":"3-Ethylmalate","retention time":"14.60568194","Mass":"162.0525234","KEGGid":"C01989","Lmid":"0","InchiKEY":"JUCRENBZZQKFGK-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA (18:2)","retention time":"3.284199187","Mass":"280.2396604","KEGGid":"0","Lmid":"LMFA01030115","InchiKEY":"QJKCKUNKNNYJNS-BNFZFUHLSA-N","HMDBID":"0"},{"Metabolite":"Heptadecanoic acid","retention time":"3.271379611","Mass":"270.2552936","KEGGid":"0","Lmid":"LMFA01010017_LMFA01010048","InchiKEY":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","HMDBID":"HMDB02259_HMDB0002259"},{"Metabolite":"Ala/Met/Thr/Asp","retention time":"9.649399143","Mass":"482.1670017","KEGGid":"0","Lmid":"0","InchiKEY":"SPSPXZATAHEJBR-SSSAOXCUSA-N","HMDBID":"0"},{"Metabolite":"ascr#24","retention time":"3.396561598","Mass":"374.2659085","KEGGid":"0","Lmid":"LMFA13040029","InchiKEY":"NRXYKCLIMLPUIO-KWXDATOUSA-N","HMDBID":"0"},{"Metabolite":"potassium dihydrogen phosphate","retention time":"17.24727789","Mass":"135.9324719","KEGGid":"0","Lmid":"0","InchiKEY":"GNSKLFRGEWLPPA-UHFFFAOYSA-M","HMDBID":"0"},{"Metabolite":"Caprylic acid","retention time":"3.907744993","Mass":"144.1147088","KEGGid":"C06423","Lmid":"LMFA01010008","InchiKEY":"WWZKQHOCKIZLMA-UHFFFAOYSA-N","HMDBID":"HMDB00482_HMDB0000482_HMDB0062511"},{"Metabolite":"1-Pyrroline-5-carboxylic acid","retention time":"15.88918657","Mass":"113.0473697","KEGGid":"C03912_C04322","Lmid":"0","InchiKEY":"DWAKNKKXGALPNW-UHFFFAOYSA-N","HMDBID":"HMDB01301_HMDB0001301"},{"Metabolite":"Neryl formate","retention time":"3.650137108","Mass":"182.1303479","KEGGid":"C12294","Lmid":"LMFA07010611_LMFA07010623","InchiKEY":"FQMZVFJYMPNUCT-XFFZJAGNSA-N","HMDBID":"HMDB0035156"},{"Metabolite":"FA methyl(14:0)","retention time":"3.347543335","Mass":"242.2242173","KEGGid":"C16665","Lmid":"LMFA01020008","InchiKEY":"XKLJLHAPJBUBNL-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"PI(16:0/22:4)","retention time":"3.061334804","Mass":"886.5544981","KEGGid":"C00626","Lmid":"LMGP06010326_LMGP06010510_LMGP06010921_LMGP06010412_LMGP06010939_LMGP06010382_LMGP06010303_LMGP06010539_LMGP06010598_LMGP06010569_LMGP06010354_LMGP06010762_LMGP06010010_LMGP06010511","InchiKEY":"PSFLOZGKTVHJEH-HACPKTPBSA-N","HMDBID":"HMDB0009894_HMDB0009853_HMDB09794_HMDB09853_HMDB0009889_HMDB09793_HMDB09912_HMDB0009877_HMDB09842_HMDB0009794_HMDB09894_HMDB09914_HMDB09815_HMDB0009843_HMDB0009815_HMDB09877_HMDB09889_HMDB09843_HMDB0009912_HMDB0009793_HMDB0009816_HMDB0009914"},{"Metabolite":"PG(18:1/22:6)","retention time":"3.0024314","Mass":"820.523205","KEGGid":"0","Lmid":"LMGP04010043_LMGP04010641_LMGP04010668_LMGP04010423_LMGP04010582_LMGP04010395_LMGP04010612_LMGP04010802_LMGP04010828_LMGP04010801","InchiKEY":"TZGMUGQUTJEGJC-SMHLWGDZSA-N","HMDBID":"HMDB0010629_HMDB0010644_HMDB10686_HMDB0116633_HMDB10644_HMDB0010671_HMDB0010686_HMDB0116588_HMDB10629_HMDB10671"},{"Metabolite":"2-Methylacetophenone","retention time":"3.135650011","Mass":"422.2327049","KEGGid":"C07874","Lmid":"LMFA07010721","InchiKEY":"HNSDLXPSAYFUHK-UHFFFAOYSA-N","HMDBID":"HMDB0032386"},{"Metabolite":"Arachidonic acid","retention time":"3.281464965","Mass":"304.2397857","KEGGid":"C00219","Lmid":"LMFA01030817_LMFA01030393_LMFA01030001_LMFA01030003","InchiKEY":"YZXBAPSDXZZRGB-DOFZRALJSA-N","HMDBID":"HMDB0001043_HMDB0060102_HMDB01043"},{"Metabolite":"Palmitoleic acid","retention time":"3.334053842","Mass":"254.2242257","KEGGid":"C08362","Lmid":"LMFA01030056_LMFA01030057","InchiKEY":"SECPZKHBENQXJG-FPLPWBNLSA-N","HMDBID":"HMDB03229_HMDB0012328_HMDB0003229_HMDB12328"},{"Metabolite":"3-Dehydroquinate","retention time":"11.35446382","Mass":"190.0472355","KEGGid":"C00944","Lmid":"0","InchiKEY":"WVMWZWGZRAXUBK-SYTVJDICSA-N","HMDBID":"HMDB0012710_HMDB12710"},{"Metabolite":"alpha-Irone","retention time":"3.547197914","Mass":"206.1665084","KEGGid":"C09690_C11350","Lmid":"0","InchiKEY":"JZQOJFLIJNRDHK-CMDGGOBGSA-N","HMDBID":"HMDB0061831_HMDB0035631"},{"Metabolite":"2-Hydroxy-2,4-pentadienoate","retention time":"14.45636786","Mass":"114.0314672","KEGGid":"C00596","Lmid":"0","InchiKEY":"VHTQQDXPNUTMNB-ONEGZZNKSA-N","HMDBID":"0"},{"Metabolite":"Ribitol 5-phosphate","retention time":"17.27354028","Mass":"278.0396385","KEGGid":"C03509_C02883_C01068_C02895","Lmid":"0","InchiKEY":"VJDOAZKNBQCAGE-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Lys/Lys/Lys/Met/Tyr","retention time":"3.611557562","Mass":"696.401015","KEGGid":"0","Lmid":"0","InchiKEY":"HKVCJXVALTXIIW-IRGGMKSGSA-N","HMDBID":"0"},{"Metabolite":"a phenothiazine","retention time":"12.43674032","Mass":"199.0452051","KEGGid":"0","Lmid":"0","InchiKEY":"WJFKNYWRSNBZNX-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"trans-Dodec-2-enoic acid","retention time":"3.500859618","Mass":"198.1616301","KEGGid":"0","Lmid":"LMFA01030224_LMFA01030788_LMFA01030037","InchiKEY":"PAWGRNGPMLVJQH-ZHACJKMWSA-N","HMDBID":"HMDB0010729_HMDB10729"},{"Metabolite":"tunicamine","retention time":"14.25796231","Mass":"311.1207151","KEGGid":"0","Lmid":"0","InchiKEY":"VEIVJIBQYGHAIH-AXBJHQMOSA-O","HMDBID":"0"},{"Metabolite":"Koryoginsenoside R1","retention time":"2.996265169","Mass":"868.519761","KEGGid":"0","Lmid":"0","InchiKEY":"HMPXCABYJUUDEV-ZRDIBKRKSA-N","HMDBID":"HMDB0041351"},{"Metabolite":"PS(37:1)","retention time":"3.050147219","Mass":"803.565721","KEGGid":"0","Lmid":"LMGP03010318_LMGP03010681_LMGP03010239_LMGP03010157_LMGP03010536_LMGP03010462_LMGP03010491_LMGP03010187_LMGP03010221_LMGP03010266_LMGP03010516_LMGP03010704_LMGP03010729_LMGP03010332","InchiKEY":"GYLWWNFYPXOOMA-BFCPHGQOSA-N","HMDBID":"0"},{"Metabolite":"Phenol sulphate","retention time":"5.309787656","Mass":"173.9981915","KEGGid":"C02180","Lmid":"0","InchiKEY":"CTYRPMDGLDAWRQ-UHFFFAOYSA-N","HMDBID":"HMDB0060015"},{"Metabolite":"Indolepyruvate","retention time":"7.353284103","Mass":"203.0579107","KEGGid":"C00331","Lmid":"0","InchiKEY":"RSTKLPZEZYGQPY-UHFFFAOYSA-N","HMDBID":"HMDB0060484"},{"Metabolite":"4-Hydroxybutyric acid","retention time":"8.369294712","Mass":"104.0470608","KEGGid":"C00989_C01991","Lmid":"LMFA01050006","InchiKEY":"SJZRECIVHVDYJC-UHFFFAOYSA-N","HMDBID":"HMDB00710_HMDB0000710"},{"Metabolite":"PI(16:0/20:2)","retention time":"3.054793588","Mass":"862.5546291","KEGGid":"C00626","Lmid":"LMGP06010103_LMGP06010697_LMGP06010457_LMGP06010956_LMGP06010727_LMGP06010503_LMGP06010233_LMGP06010262_LMGP06010009_LMGP06010429_LMGP06010532_LMGP06010165_LMGP06010075_LMGP06010185_LMGP06010846","InchiKEY":"UJENRFPZRNBKKL-UWKRNJIGSA-N","HMDBID":"HMDB0009824_HMDB09875_HMDB09809_HMDB0009809_HMDB0009875_HMDB09837_HMDB0009847_HMDB0009786_HMDB09847_HMDB09786"},{"Metabolite":"Trifluoroacetic acid","retention time":"14.61638028","Mass":"113.9926641","KEGGid":"0","Lmid":"0","InchiKEY":"DTQVDTLACAAQTR-UHFFFAOYSA-N","HMDBID":"HMDB0014118"},{"Metabolite":"Ala/Cys/His/Asn/Gln","retention time":"8.652001415","Mass":"571.2186399","KEGGid":"0","Lmid":"0","InchiKEY":"URJOHNWRTMUZRV-YGTGSIHKSA-N","HMDBID":"0"},{"Metabolite":"4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl}-1-hydroxy-3-methylbutan-2-yl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-aminobutanoic acid","retention time":"8.93506457","Mass":"679.2397024","KEGGid":"0","Lmid":"0","InchiKEY":"PHWKVDOCMIWLHX-UHFFFAOYSA-N","HMDBID":"HMDB0130306"},{"Metabolite":"Cyclovariegatin","retention time":"12.56676658","Mass":"354.0368837","KEGGid":"0","Lmid":"0","InchiKEY":"YXRBIRYXOSYHBV-UHFFFAOYSA-N","HMDBID":"HMDB0029682"},{"Metabolite":"Phe/Ile/Met/Arg/Val","retention time":"3.845030987","Mass":"664.3742192","KEGGid":"0","Lmid":"0","InchiKEY":"BECCBMUVCCOPMP-ACUVNOOJSA-N","HMDBID":"0"},{"Metabolite":"(2R,4S)-2,4-Diaminopentanoate","retention time":"23.03578827","Mass":"132.0895863","KEGGid":"C03943","Lmid":"0","InchiKEY":"PCEJMSIIDXUDSN-IUYQGCFVSA-N","HMDBID":"0"},{"Metabolite":"Tridecanoic acid","retention time":"3.423654588","Mass":"214.1928525","KEGGid":"C13795_C17076","Lmid":"LMFA01010013","InchiKEY":"SZHOJFHSIKHZHA-UHFFFAOYSA-N","HMDBID":"HMDB00910_HMDB0000910"},{"Metabolite":"Allantoin","retention time":"14.53762469","Mass":"158.0435881","KEGGid":"C02348_C01551_C02350","Lmid":"0","InchiKEY":"POJWUDADGALRAB-UHFFFAOYSA-N","HMDBID":"HMDB00462_HMDB0000462"},{"Metabolite":"2-(Hydroxymethyl)-3-(acetamidomethylene)succinate","retention time":"20.23195511","Mass":"217.0580938","KEGGid":"C04690","Lmid":"0","InchiKEY":"BHXUWJPOOLFBAP-DJWKRKHSSA-N","HMDBID":"0"},{"Metabolite":"PG(16:0/18:1)","retention time":"3.028012828","Mass":"748.5232973","KEGGid":"C13883","Lmid":"LMGP04010987_LMGP04010231_LMGP04010002_LMGP04010457_LMGP04010511_LMGP04010178_LMGP04010962_LMGP04010065_LMGP04010256_LMGP04010484_LMGP04010530_LMGP04010008_LMGP04010887_LMGP04010149_LMGP04010725_LMGP04010211_LMGP04010127_LMGP04010102","InchiKEY":"ADYWCMPUNIVOEA-GPJPVTGXSA-N","HMDBID":"HMDB10574_HMDB0010601_HMDB0010574_HMDB0010587_HMDB0010630_HMDB0010573_HMDB10630_HMDB10601_HMDB10587_HMDB10573"},{"Metabolite":"3,3'-Thiobispropanoic acid","retention time":"7.771898571","Mass":"178.0295852","KEGGid":"0","Lmid":"0","InchiKEY":"ODJQKYXPKWQWNK-UHFFFAOYSA-N","HMDBID":"HMDB0031162"},{"Metabolite":"Arabitol","retention time":"12.87033433","Mass":"152.0680539","KEGGid":"C01904_C00379_C00474","Lmid":"0","InchiKEY":"HEBKCHPVOIAQTA-UHFFFAOYSA-N","HMDBID":"HMDB02917_HMDB00568_HMDB00508"},{"Metabolite":"Viscutin 1","retention time":"13.55056712","Mass":"526.1486167","KEGGid":"0","Lmid":"LMPK12020265","InchiKEY":"TXPZFODNQVHXLF-RLFCAORJSA-N","HMDBID":"0"},{"Metabolite":"Phosphohydroxypyruvic acid","retention time":"18.75098314","Mass":"229.9823486","KEGGid":"C03232","Lmid":"0","InchiKEY":"LFLUCDOSQPJJBE-UHFFFAOYSA-N","HMDBID":"HMDB0001024_HMDB01024"},{"Metabolite":"Uridine diphosphate-N-acetylglucosamine","retention time":"15.24774466","Mass":"607.0806995","KEGGid":"C00203_C01170_C00043","Lmid":"LMSL01010002","InchiKEY":"LFTYTUAZOPRMMI-CFRASDGPSA-N","HMDBID":"HMDB0000304_HMDB00290_HMDB00304_HMDB0013112_HMDB13112_HMDB0060522_HMDB0000290_HMDB0062760"},{"Metabolite":"12-epi-hapalindole F (isothiocyanate)","retention time":"13.81649495","Mass":"370.1275558","KEGGid":"0","Lmid":"0","InchiKEY":"GRQUFNAGGOBDNI-CMWLGVBASA-N","HMDBID":"0"},{"Metabolite":"Asp/Arg/Arg/Thr/Tyr","retention time":"3.821107156","Mass":"709.3494079","KEGGid":"0","Lmid":"0","InchiKEY":"DCNIMZLEFZJEMB-VWVZUHNFSA-N","HMDBID":"0"},{"Metabolite":"gamma-Glutamylvaline","retention time":"10.68083218","Mass":"246.1210661","KEGGid":"0","Lmid":"0","InchiKEY":"AQAKHZVPOOGUCK-XPUUQOCRSA-N","HMDBID":"HMDB0011172_HMDB11172"},{"Metabolite":"PI(18:1/20:4)","retention time":"3.054192949","Mass":"884.5393106","KEGGid":"C00626","Lmid":"LMGP06010599_LMGP06010413_LMGP06010512_LMGP06010541_LMGP06010849_LMGP06010628_LMGP06010570_LMGP06010763_LMGP06010540_LMGP06010327_LMGP06010383_LMGP06010193_LMGP06010854_LMGP06010355","InchiKEY":"HKZUQGZNSPCSAQ-JRRRANSLSA-N","HMDBID":"HMDB0009855_HMDB09855_HMDB0009844_HMDB09832_HMDB09896_HMDB09844_HMDB0009883_HMDB0009890_HMDB09901_HMDB0009845_HMDB0009896_HMDB0009833_HMDB09854_HMDB0009895_HMDB09890_HMDB0062586_HMDB09883"},{"Metabolite":"2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate","retention time":"14.37275728","Mass":"299.0077742","KEGGid":"C04752","Lmid":"0","InchiKEY":"AGQJQCFEPUVXNK-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"FA oxo(16:0)","retention time":"3.419472641","Mass":"270.2189104","KEGGid":"0","Lmid":"LMFA01060050","InchiKEY":"ZVNHILZUTNYFGT-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Glucosylsphingosine","retention time":"3.838716703","Mass":"461.334123","KEGGid":"C03108_C01747","Lmid":"LMSP07000001_LMSP05010031","InchiKEY":"HHJTWTPUPVQKNA-KEVGHMQTSA-N","HMDBID":"HMDB0000648_HMDB00596_HMDB00648_HMDB0000596"},{"Metabolite":"(R) 2,3-Dihydroxy-3-methylvalerate","retention time":"7.526426668","Mass":"148.0732634","KEGGid":"C06007_C04104","Lmid":"LMFA01050452_LMFA01050469","InchiKEY":"PDGXJDXVGMHUIR-UJURSFKZSA-N","HMDBID":"HMDB0012140_HMDB12140"},{"Metabolite":"N-phosphocreatinate(2-)","retention time":"15.22785346","Mass":"211.035459","KEGGid":"0","Lmid":"0","InchiKEY":"RMRKEMHUAGATCC-UHFFFAOYSA-O","HMDBID":"HMDB0062567"},{"Metabolite":"Ethiin","retention time":"10.80382397","Mass":"211.051006","KEGGid":"0","Lmid":"0","InchiKEY":"CSZTZFUEOCFFJH-UHFFFAOYSA-N","HMDBID":"HMDB0037057"},{"Metabolite":"N-Nitrosoproline","retention time":"12.12903341","Mass":"144.0533185","KEGGid":"C19485","Lmid":"0","InchiKEY":"WLKPHJWEIIAIFW-UHFFFAOYSA-N","HMDBID":"HMDB0041946"},{"Metabolite":"1-thio--D-glucose","retention time":"8.778218825","Mass":"196.0399773","KEGGid":"0","Lmid":"0","InchiKEY":"JUSMHIGDXPKSID-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"cis-Acetylacrylate","retention time":"13.56483113","Mass":"114.031422","KEGGid":"C07091","Lmid":"0","InchiKEY":"XGTKSWVCNVUVHG-IHWYPQMZSA-N","HMDBID":"HMDB0060461"},{"Metabolite":"Carmustine","retention time":"15.93302334","Mass":"213.0067104","KEGGid":"C06873","Lmid":"0","InchiKEY":"DLGOEMSEDOSKAD-UHFFFAOYSA-N","HMDBID":"HMDB0014407"},{"Metabolite":"Hydroxypyruvic acid","retention time":"16.46751265","Mass":"104.0106888","KEGGid":"C00168","Lmid":"0","InchiKEY":"HHDDCCUIIUWNGJ-UHFFFAOYSA-N","HMDBID":"HMDB0001352_HMDB01352"},{"Metabolite":"Cys/Lys/Lys/Gln/Arg","retention time":"7.855500002","Mass":"661.3706968","KEGGid":"0","Lmid":"0","InchiKEY":"SGTKSZMDTMSYQA-VMXHOPILSA-N","HMDBID":"0"},{"Metabolite":"PG(16:0/18:2)","retention time":"3.016393593","Mass":"746.5081495","KEGGid":"0","Lmid":"LMGP04010179_LMGP04010232_LMGP04010286_LMGP04010531_LMGP04010485_LMGP04010756_LMGP04010881_LMGP04010128_LMGP04010103_LMGP04010877_LMGP04010902_LMGP04010891_LMGP04010983_LMGP04010066_LMGP04010560","InchiKEY":"ATBOMIWRCZXYSZ-WLGRLVTESA-N","HMDBID":"HMDB0010645_HMDB0010588_HMDB0010589_HMDB10575_HMDB10631_HMDB10589_HMDB10645_HMDB0010631_HMDB10588_HMDB0010575"},{"Metabolite":"PA(30:3)","retention time":"7.805638631","Mass":"614.3948844","KEGGid":"0","Lmid":"LMGP10010364_LMGP10010053_LMGP10010395_LMGP10010052","InchiKEY":"YABHEYPJDRWHLB-DXVQNWCJSA-N","HMDBID":"0"},{"Metabolite":"1-carboxymethylpyridinium","retention time":"11.16362587","Mass":"137.047445","KEGGid":"0","Lmid":"0","InchiKEY":"GJJPLKJBULCRQI-UHFFFAOYSA-O","HMDBID":"0"},{"Metabolite":"Glyceric acid","retention time":"12.27347293","Mass":"106.0263247","KEGGid":"C00258","Lmid":"0","InchiKEY":"RBNPOMFGQQGHHO-UWTATZPHSA-N","HMDBID":"HMDB00139_HMDB0000139"},{"Metabolite":"PGP(a-13:0/i-22:0)","retention time":"2.999292086","Mass":"844.5222694","KEGGid":"0","Lmid":"0","InchiKEY":"DCKQQIZXIWWGDK-CIEWJMJXSA-N","HMDBID":"HMDB0116528"},{"Metabolite":"pyrithiamine phosphate","retention time":"16.25146342","Mass":"384.1194008","KEGGid":"0","Lmid":"0","InchiKEY":"NEWJDFMMVWTGEX-UHFFFAOYSA-O","HMDBID":"0"},{"Metabolite":"Malonic semialdehyde","retention time":"13.62964068","Mass":"88.01578103","KEGGid":"C00222","Lmid":"0","InchiKEY":"OAKURXIZZOAYBC-UHFFFAOYSA-N","HMDBID":"HMDB11111_HMDB0011111"},{"Metabolite":"FMPP","retention time":"8.119407868","Mass":"182.0608363","KEGGid":"0","Lmid":"0","InchiKEY":"GMJGIBLQISWZMU-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"hydroxypyridine N-oxide","retention time":"20.14791667","Mass":"111.0317828","KEGGid":"0","Lmid":"0","InchiKEY":"YMEZKRMAPQIBQH-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Deoxyuridine","retention time":"7.847187321","Mass":"228.0740965","KEGGid":"C00526","Lmid":"0","InchiKEY":"MXHRCPNRJAMMIM-SHYZEUOFSA-N","HMDBID":"HMDB00012_HMDB0000012"},{"Metabolite":"4'-methoxycyclopenine","retention time":"10.80565907","Mass":"324.1107542","KEGGid":"0","Lmid":"0","InchiKEY":"SWIRFBNCYVYLDV-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"casuarine","retention time":"7.963531494","Mass":"205.0945142","KEGGid":"0","Lmid":"0","InchiKEY":"AXTGOJVKRHFYBT-XAZAIFFQSA-O","HMDBID":"0"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)proline","retention time":"16.02846137","Mass":"323.1209654","KEGGid":"0","Lmid":"0","InchiKEY":"GSFRYAKUDPPHHG-MKSMHYHASA-N","HMDBID":"HMDB0038493"},{"Metabolite":"Norepinephrine sulfate","retention time":"7.668728823","Mass":"249.0301429","KEGGid":"0","Lmid":"0","InchiKEY":"CVJMZWLHUCMEKO-ZETCQYMHSA-N","HMDBID":"HMDB02062_HMDB0002062"},{"Metabolite":"Secobarbital","retention time":"27.43339579","Mass":"238.1312097","KEGGid":"0","Lmid":"0","InchiKEY":"KQPKPCNLIDLUMF-UHFFFAOYSA-N","HMDBID":"HMDB0014562"},{"Metabolite":"ADP-Mannose","retention time":"17.94553856","Mass":"589.0807309","KEGGid":"C06192_C00498","Lmid":"0","InchiKEY":"WFPZSXYXPSUOPY-RYRBFGMPSA-N","HMDBID":"HMDB0006557_HMDB06369_HMDB0062621_HMDB0006369_HMDB06557"},{"Metabolite":"Ala/Ile/Ile/Val/Val","retention time":"27.43679988","Mass":"513.3511837","KEGGid":"0","Lmid":"0","InchiKEY":"YBDXBNPHAPVBFW-RBZZARIASA-N","HMDBID":"0"},{"Metabolite":"5-Pyridoxolactone","retention time":"8.058618969","Mass":"165.0422559","KEGGid":"C06052","Lmid":"0","InchiKEY":"PPAXBSPBIWBREI-UHFFFAOYSA-N","HMDBID":"HMDB0004291_HMDB04291"},{"Metabolite":"4-Hydroxymethylphenylhydrazine","retention time":"8.724079955","Mass":"138.0789382","KEGGid":"C03994","Lmid":"0","InchiKEY":"BBJOGQWGYPHPCA-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Quercetin 3'-sulfate","retention time":"17.20738864","Mass":"381.9999902","KEGGid":"C00616","Lmid":"LMPK12111405_LMPK12112304_LMPK12111252_LMPK12111251_LMPK12112306_LMPK12112305_LMPK12110848","InchiKEY":"OSCLBBUATYLBQA-UHFFFAOYSA-N","HMDBID":"HMDB0041770"},{"Metabolite":"Voglibose","retention time":"14.13967997","Mass":"313.137133","KEGGid":"0","Lmid":"0","InchiKEY":"FZNCGRZWXLXZSZ-CIQUZCHMSA-N","HMDBID":"HMDB0015598"},{"Metabolite":"Glyceryl lactopalmitate","retention time":"20.53603035","Mass":"450.1114292","KEGGid":"0","Lmid":"0","InchiKEY":"FADKMVWORSHBKJ-UHFFFAOYSA-N","HMDBID":"HMDB0032299"},{"Metabolite":"His/Met/Phe/Gly","retention time":"13.9218611","Mass":"490.2001091","KEGGid":"0","Lmid":"0","InchiKEY":"XCJBHVUJPKTKMW-BZSNNMDCSA-N","HMDBID":"0"},{"Metabolite":"aureothricin","retention time":"17.62434726","Mass":"242.0186488","KEGGid":"0","Lmid":"0","InchiKEY":"UGZYFXMSMFMTSM-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Gln/Leu/Lys/Tyr","retention time":"17.24690023","Mass":"550.3114397","KEGGid":"0","Lmid":"0","InchiKEY":"UMHFMBFYXQGJPP-TUFLPTIASA-N","HMDBID":"0"},{"Metabolite":"rCdRP","retention time":"17.36391602","Mass":"397.0765681","KEGGid":"0","Lmid":"0","InchiKEY":"AULMJMUNCOBRHC-UHFFFAOYSA-N","HMDBID":"0"},{"Metabolite":"Brassicanal B","retention time":"27.61085002","Mass":"233.0505373","KEGGid":"0","Lmid":"0","InchiKEY":"ZIEFIDANMCIAOW-UHFFFAOYSA-N","HMDBID":"HMDB0038592"}]
}

}