{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003362","ANALYSIS_ID":"AN005507","PROJECT_ID":"PR002088","VERSION":"1","CREATED_ON":"August 1, 2024, 5:46 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics analysis of Glioblastoma (GBM) cell line U251 labeled by 13C-glutamine after treatment with pimozide","PROJECT_SUMMARY":"Glioblastoma (GBM) cell line U251 was treated with antipsychotic drug pimozide (3 uM) for 24 hr, and then labeled with 13C-glutamine (2 mM) for 1 hr. Cells were collected and extracted for metabolites and analyzed by LC-MS. Our data showed that pimozide treatment significantly increased 13C-labeled glutamine uptake and subsequent consumption, including anaplerosis of metabolites for tricarboxylic acid (TCA) cycle and de novo fatty acid synthesis derived from glutamine-mediated reductive carboxylation process.","INSTITUTE":"The Ohio State University","DEPARTMENT":"Radiation Oncology","LAST_NAME":"Guo","FIRST_NAME":"Deliang","ADDRESS":"Department of Radiation Oncology, Ohio State Comprehensive Cancer Center, Arthur G. James Cancer Hospital and Richard J. Solove Research Institute, and College of Medicine at The Ohio State University, Columbus, OH 43210, USA.","EMAIL":"deliang.guo@osumc.edu","PHONE":"6143663774"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of Glioblastoma (GBM) cell line U251 labeled by 13C-glutamine after treatment with pimozide","STUDY_SUMMARY":"Glioblastoma (GBM) cell line U251 was treated with antipsychotic drug pimozide (3 uM) for 24 hr, and then labeled with 13C-glutamine (2 mM) for 1 hr. Cells were collected and extracted for metabolites and analyzed by LC-MS. Our data showed that pimozide treatment significantly increased 13C-labeled glutamine uptake and subsequent consumption, including anaplerosis of metabolites for tricarboxylic acid (TCA) cycle and de novo fatty acid synthesis derived from glutamine-mediated reductive carboxylation process.","INSTITUTE":"The Ohio State University","LAST_NAME":"Guo","FIRST_NAME":"Deliang","ADDRESS":"Department of Radiation Oncology, Ohio State Comprehensive Cancer Center, Arthur G. James Cancer Hospital and Richard J. Solove Research Institute, and College of Medicine at The Ohio State University, Columbus, OH 43210, USA.","EMAIL":"deliang.guo@osumc.edu","PHONE":"6143663774"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"1",
"Sample ID":"LCFA_Control_1",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Control_1.mzML"}
},
{
"Subject ID":"2",
"Sample ID":"LCFA_Control_2",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Control_2.mzML"}
},
{
"Subject ID":"3",
"Sample ID":"LCFA_Control_3",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Control_3.mzML"}
},
{
"Subject ID":"4",
"Sample ID":"LCFA_Control_4",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Control_4.mzML"}
},
{
"Subject ID":"5",
"Sample ID":"LCFA_Pimozide_1",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Pimozide_1.mzML"}
},
{
"Subject ID":"6",
"Sample ID":"LCFA_Pimozide_2",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Pimozide_2.mzML"}
},
{
"Subject ID":"7",
"Sample ID":"LCFA_Pimozide_3",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Pimozide_3.mzML"}
},
{
"Subject ID":"8",
"Sample ID":"LCFA_Pimozide_4",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"LCFA_Pimozide_4.mzML"}
},
{
"Subject ID":"9",
"Sample ID":"U251_Control_1_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_1_NEG.mzML"}
},
{
"Subject ID":"10",
"Sample ID":"U251_Control_1_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_1_POS.mzML"}
},
{
"Subject ID":"11",
"Sample ID":"U251_Control_2_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_2_NEG.mzML"}
},
{
"Subject ID":"12",
"Sample ID":"U251_Control_2_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_2_POS.mzML"}
},
{
"Subject ID":"13",
"Sample ID":"U251_Control_3_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_3_NEG.mzML"}
},
{
"Subject ID":"14",
"Sample ID":"U251_Control_3_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_3_POS.mzML"}
},
{
"Subject ID":"15",
"Sample ID":"U251_Control_4_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_4_NEG.mzML"}
},
{
"Subject ID":"16",
"Sample ID":"U251_Control_4_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Control_4_POS.mzML"}
},
{
"Subject ID":"17",
"Sample ID":"U251_Pimozide_1_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_1_NEG.mzML"}
},
{
"Subject ID":"18",
"Sample ID":"U251_Pimozide_1_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_1_POS.mzML"}
},
{
"Subject ID":"19",
"Sample ID":"U251_Pimozide_2_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_2_NEG.mzML"}
},
{
"Subject ID":"20",
"Sample ID":"U251_Pimozide_2_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_2_POS.mzML"}
},
{
"Subject ID":"21",
"Sample ID":"U251_Pimozide_3_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_3_NEG.mzML"}
},
{
"Subject ID":"22",
"Sample ID":"U251_Pimozide_3_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_3_POS.mzML"}
},
{
"Subject ID":"23",
"Sample ID":"U251_Pimozide_4_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_4_NEG.mzML"}
},
{
"Subject ID":"24",
"Sample ID":"U251_Pimozide_4_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"Pimozide"},
"Additional sample data":{"RAW_FILE_NAME":"U251_Pimozide_4_POS.mzML"}
},
{
"Subject ID":"25",
"Sample ID":"U251_UNLABELED_NEG",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"U251_UNLABELED_NEG.mzML"}
},
{
"Subject ID":"26",
"Sample ID":"U251_UNLABELED_NEG_2",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"U251_UNLABELED_NEG_2.mzML"}
},
{
"Subject ID":"27",
"Sample ID":"U251_UNLABELED_POS",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"U251_UNLABELED_POS.mzML"}
},
{
"Subject ID":"28",
"Sample ID":"U251_UNLABELED_POS_2",
"Factors":{"Sample source":"Human glioblastoma U251 cell line","Treatment":"NA"},
"Additional sample data":{"RAW_FILE_NAME":"U251_UNLABELED_POS_2.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"1) For labelled Group: 3 million U251 cells were seeded in a 15-cm dish for 24 hr, then treated with/without the drug (Pimozide: 3 µM) in a fresh medium containing 1% FBS, 5 mM glucose, 4 mM glutamine for another 24 hr. After drug treatment, cells were deprived for 1 hr with a serum-free medium containing 5 mM glucose, 0 mM glutamine, and 1 mM pyruvate. 2 mM 13C(U)-glutamine was added to the media and incubated for 1 hr. The cells were washed twice with cold PBS and quenched with cold acetonitrile and ultrapure water (4:3, v:v) for 5 min, and metabolites were extracted for subsequent LC-MS analysis. Long chain fatty acid Control: U251 cells without pimozide treatment. Long chain fatty acid Pimozide: U251 cells with pimozide treatment.","SAMPLE_TYPE":"Glioma cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"3 million U251 cells were seeded in a 15-cm dish for 24 hr, then treated with/without Pimozide (3 µM) in a fresh medium containing 1% FBS, 5 mM glucose, 4 mM glutamine for another 24 hr"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"After treatment, the cells were washed twice with cold PBS and quenched with cold acetonitrile and ultrapure water (4:3, v:v) for 5 min. Metabolites were then extracted for subsequent LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Parallel 2D-LC for polar profiling","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"SeQuant ZIC-cHILIC (150 x 2.1mm, 3 um)","SOLVENT_A":"100% water; 10 mM ammonium acetate (pH 3.25)","SOLVENT_B":"100% acetonitrile","FLOW_GRADIENT":"0 min, 95% B; 0 to 5 min, 95% B to 35% B; 5 to 6 min, 35% B; 6.0 to 6.1 min, 35% B to 5% B; 6.1 to 23 min, 5% B; 23.0 to 23.1 min, 5% to 95% B.","FLOW_RATE":"0.3 mL/min","COLUMN_TEMPERATURE":"40"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"FullMS data was collected under negative mode. XCMS software was used for spectrum deconvolution and MetSign software for metabolite identification, cross-sample peak list alignment, normalization, and statistical analysis.To identify metabolites, 2DLC-MS/MS data was first matched to our in-house database that contains parent ion m/z, MS/MS spectra, and retention time of authentic standards. Threshold for spectral similarity was set ≥ 0.4, while thresholds of retention time difference and m/z variation window were respectively set ≤ 0.15 min and ≤ 5 ppm. 2DLC-MS/MS data without a match with the metabolites in the in-house database were further analyzed using Compound Discoverer software (v 2.0, Thermo Fisher Scientific, Germany), where MS/MS spectra similarity score threshold was set ≥ 40 with a maximum score of 100."},

"MS_METABOLITE_DATA":{
"Units":"Counts",

"Data":[{"Metabolite":"Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate(None)","U251_Control_1_NEG":"1350978.961","U251_Control_2_NEG":"2168135.215","U251_Control_3_NEG":"3778368.221","U251_Control_4_NEG":"3643760.529","U251_Pimozide_1_NEG":"4967229.846","U251_Pimozide_2_NEG":"3172126.723","U251_Pimozide_3_NEG":"5199462.773","U251_Pimozide_4_NEG":"3350363.038"},{"Metabolite":"Orotidine(None)","U251_Control_1_NEG":"10286156.11","U251_Control_2_NEG":"5087207.056","U251_Control_3_NEG":"5133400.065","U251_Control_4_NEG":"5807816.645","U251_Pimozide_1_NEG":"5282274.649","U251_Pimozide_2_NEG":"6472182.284","U251_Pimozide_3_NEG":"9354504.879","U251_Pimozide_4_NEG":"11849003.13"},{"Metabolite":"Orotidine(13C_4)","U251_Control_1_NEG":"1506515.342","U251_Control_2_NEG":"1137168.04","U251_Control_3_NEG":"744951.4405","U251_Control_4_NEG":"764921.1032","U251_Pimozide_1_NEG":"1184757.16","U251_Pimozide_2_NEG":"1067622.601","U251_Pimozide_3_NEG":"1099629.465","U251_Pimozide_4_NEG":"1309304.029"},{"Metabolite":"L-Tyrosine methyl ester(None)","U251_Control_1_NEG":"2000620.502","U251_Control_2_NEG":"741919.9678","U251_Control_3_NEG":"2563958.337","U251_Control_4_NEG":"1779710.03","U251_Pimozide_1_NEG":"714925.0521","U251_Pimozide_2_NEG":"847610.1661","U251_Pimozide_3_NEG":"2858270.004","U251_Pimozide_4_NEG":"2421536.108"},{"Metabolite":"Methyl tyrosinate(None)","U251_Control_1_NEG":"72965696.63","U251_Control_2_NEG":"70635074.89","U251_Control_3_NEG":"53928043.34","U251_Control_4_NEG":"56064518.4","U251_Pimozide_1_NEG":"73627604.42","U251_Pimozide_2_NEG":"73145114.07","U251_Pimozide_3_NEG":"53792938.11","U251_Pimozide_4_NEG":"57848954.66"},{"Metabolite":"Guanosine 5''-diphosphate (GDP)*,*GDP(None)","U251_Control_1_NEG":"5827891.43","U251_Control_2_NEG":"6132360.595","U251_Control_3_NEG":"4822651.223","U251_Control_4_NEG":"16013172.67","U251_Pimozide_1_NEG":"19480874.36","U251_Pimozide_2_NEG":"6612793.91","U251_Pimozide_3_NEG":"8804943.338","U251_Pimozide_4_NEG":"10345236.92"},{"Metabolite":"5-ATP*,*ATP(None)","U251_Control_1_NEG":"234102722","U251_Control_2_NEG":"356714761.9","U251_Control_3_NEG":"273780930.6","U251_Control_4_NEG":"369996073.1","U251_Pimozide_1_NEG":"368444716.5","U251_Pimozide_2_NEG":"355753567.8","U251_Pimozide_3_NEG":"529396292.1","U251_Pimozide_4_NEG":"581611974.8"},{"Metabolite":"5-ATP*,*ATP(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"261841.1817","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"11882653.24"},{"Metabolite":"5-ATP*,*ATP(13C_5)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"1340776.585","U251_Control_3_NEG":"0","U251_Control_4_NEG":"1474380.043","U251_Pimozide_1_NEG":"1062724.568","U251_Pimozide_2_NEG":"1030621.005","U251_Pimozide_3_NEG":"779425.9631","U251_Pimozide_4_NEG":"1933721.481"},{"Metabolite":"5-ATP*,*ATP(13C_6)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"29589.93639","U251_Control_3_NEG":"0","U251_Control_4_NEG":"171502.1727","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"41480.52889"},{"Metabolite":"(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"152519.7914","U251_Control_3_NEG":"947480.8627","U251_Control_4_NEG":"401659.4437","U251_Pimozide_1_NEG":"715175.0499","U251_Pimozide_2_NEG":"662028.3496","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"628679.6646"},{"Metabolite":"Decenedioic acid(None)","U251_Control_1_NEG":"2322496.46","U251_Control_2_NEG":"1782477.511","U251_Control_3_NEG":"1064354.451","U251_Control_4_NEG":"738514.076","U251_Pimozide_1_NEG":"1657250.124","U251_Pimozide_2_NEG":"2022070.606","U251_Pimozide_3_NEG":"1125635.511","U251_Pimozide_4_NEG":"2090102.808"},{"Metabolite":"Decenedioic acid(13C_1)","U251_Control_1_NEG":"12587.59465","U251_Control_2_NEG":"0","U251_Control_3_NEG":"129271.8539","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"17026.90411","U251_Pimozide_4_NEG":"0"},{"Metabolite":"(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(13C_1)","U251_Control_1_NEG":"57286.89275","U251_Control_2_NEG":"30030.60508","U251_Control_3_NEG":"0","U251_Control_4_NEG":"13173.61737","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"33940.26965","U251_Pimozide_4_NEG":"0"},{"Metabolite":"gamma-Glu-gln(None)","U251_Control_1_NEG":"591547.6856","U251_Control_2_NEG":"0","U251_Control_3_NEG":"313881.2217","U251_Control_4_NEG":"565335.1188","U251_Pimozide_1_NEG":"1058193.235","U251_Pimozide_2_NEG":"762167.8597","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"629103.445"},{"Metabolite":"gamma-Glu-gln(13C_10)","U251_Control_1_NEG":"700125.3197","U251_Control_2_NEG":"836478.3114","U251_Control_3_NEG":"720515.3574","U251_Control_4_NEG":"531591.1114","U251_Pimozide_1_NEG":"953081.4553","U251_Pimozide_2_NEG":"2246274.923","U251_Pimozide_3_NEG":"1633988.573","U251_Pimozide_4_NEG":"1429075.423"},{"Metabolite":"gamma-Glu-gln(13C_5)","U251_Control_1_NEG":"648728.6071","U251_Control_2_NEG":"941546.4497","U251_Control_3_NEG":"978459.6474","U251_Control_4_NEG":"611284.9382","U251_Pimozide_1_NEG":"807538.2224","U251_Pimozide_2_NEG":"1510813.558","U251_Pimozide_3_NEG":"1161309.109","U251_Pimozide_4_NEG":"852928.4371"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(None)","U251_Control_1_NEG":"690381607.1","U251_Control_2_NEG":"696245043.1","U251_Control_3_NEG":"611457460.8","U251_Control_4_NEG":"469813211","U251_Pimozide_1_NEG":"399308458.4","U251_Pimozide_2_NEG":"560550411","U251_Pimozide_3_NEG":"546441924.3","U251_Pimozide_4_NEG":"597904104.6"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"5367078.875","U251_Pimozide_1_NEG":"8551612.512","U251_Pimozide_2_NEG":"12174422.12","U251_Pimozide_3_NEG":"14927934.8","U251_Pimozide_4_NEG":"15911392.19"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(13C_4)","U251_Control_1_NEG":"4887580.321","U251_Control_2_NEG":"4065323.205","U251_Control_3_NEG":"4558771.149","U251_Control_4_NEG":"3757000.719","U251_Pimozide_1_NEG":"8164144.401","U251_Pimozide_2_NEG":"6709750.236","U251_Pimozide_3_NEG":"11152919.4","U251_Pimozide_4_NEG":"11524770.28"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(13C_5)","U251_Control_1_NEG":"99111406.16","U251_Control_2_NEG":"168520362.6","U251_Control_3_NEG":"141816017.3","U251_Control_4_NEG":"132872632.1","U251_Pimozide_1_NEG":"282193548.5","U251_Pimozide_2_NEG":"342845992.1","U251_Pimozide_3_NEG":"382119005.4","U251_Pimozide_4_NEG":"404927570.7"},{"Metabolite":"3-Methylazelaic acid(None)","U251_Control_1_NEG":"7303985.915","U251_Control_2_NEG":"5471874.394","U251_Control_3_NEG":"4089321","U251_Control_4_NEG":"4701946.844","U251_Pimozide_1_NEG":"3842343.536","U251_Pimozide_2_NEG":"5950463.018","U251_Pimozide_3_NEG":"4648562.237","U251_Pimozide_4_NEG":"4147817.815"},{"Metabolite":"3-Methylazelaic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"20251.6164","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"153107.2525","U251_Pimozide_4_NEG":"139331.6127"},{"Metabolite":"2-hydroxysebacic acid*,*3-Hydroxysebacic acid(None)","U251_Control_1_NEG":"238910.7187","U251_Control_2_NEG":"741812.8223","U251_Control_3_NEG":"406940.7181","U251_Control_4_NEG":"320121.1995","U251_Pimozide_1_NEG":"310471.9245","U251_Pimozide_2_NEG":"995598.2773","U251_Pimozide_3_NEG":"1170108.414","U251_Pimozide_4_NEG":"487102.492"},{"Metabolite":"1-BOC-4-Mercaptopiperidine(None)","U251_Control_1_NEG":"435217.6999","U251_Control_2_NEG":"329416.1433","U251_Control_3_NEG":"655004.175","U251_Control_4_NEG":"300668.7236","U251_Pimozide_1_NEG":"375104.7778","U251_Pimozide_2_NEG":"682795.9373","U251_Pimozide_3_NEG":"830943.9881","U251_Pimozide_4_NEG":"708492.0224"},{"Metabolite":"Capryloylglycine(None)","U251_Control_1_NEG":"996506.9919","U251_Control_2_NEG":"910481.649","U251_Control_3_NEG":"1428859.797","U251_Control_4_NEG":"846579.1404","U251_Pimozide_1_NEG":"927213.1906","U251_Pimozide_2_NEG":"1518483.654","U251_Pimozide_3_NEG":"1419828.113","U251_Pimozide_4_NEG":"1950776.931"},{"Metabolite":"Capryloylglycine(13C_1)","U251_Control_1_NEG":"39400.77003","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"19360.74645","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"74030.14636"},{"Metabolite":"1-Benzothiophen-3-ylacetonitrile(None)","U251_Control_1_NEG":"42646611.63","U251_Control_2_NEG":"44784620.73","U251_Control_3_NEG":"41759559.85","U251_Control_4_NEG":"48476494.47","U251_Pimozide_1_NEG":"54891390.91","U251_Pimozide_2_NEG":"57468490.99","U251_Pimozide_3_NEG":"52559683.6","U251_Pimozide_4_NEG":"54503422.06"},{"Metabolite":"1-Benzothiophen-3-ylacetonitrile(13C_1)","U251_Control_1_NEG":"1897578.299","U251_Control_2_NEG":"2144490.702","U251_Control_3_NEG":"1746862.821","U251_Control_4_NEG":"1879395.651","U251_Pimozide_1_NEG":"2650541.924","U251_Pimozide_2_NEG":"2856687.928","U251_Pimozide_3_NEG":"2546758.766","U251_Pimozide_4_NEG":"2618436.097"},{"Metabolite":"2-[(Carboxymethoxy)carbonyl]benzoic acid(None)","U251_Control_1_NEG":"404894.4645","U251_Control_2_NEG":"456112.8819","U251_Control_3_NEG":"394753.3496","U251_Control_4_NEG":"492740.7644","U251_Pimozide_1_NEG":"757841.9789","U251_Pimozide_2_NEG":"542744.7012","U251_Pimozide_3_NEG":"365088.1532","U251_Pimozide_4_NEG":"484128.3594"},{"Metabolite":"2-[(Carboxymethoxy)carbonyl]benzoic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"4522.997495","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"10376.93388"},{"Metabolite":"indole-3-lactic acid(None)","U251_Control_1_NEG":"269168.4245","U251_Control_2_NEG":"147301.7163","U251_Control_3_NEG":"130417.7089","U251_Control_4_NEG":"125224.6104","U251_Pimozide_1_NEG":"136638.1736","U251_Pimozide_2_NEG":"162470.0581","U251_Pimozide_3_NEG":"233243.4181","U251_Pimozide_4_NEG":"251219.6142"},{"Metabolite":"5-Hydroxy-DL-tryptophan(None)","U251_Control_1_NEG":"8075724.623","U251_Control_2_NEG":"7044561.579","U251_Control_3_NEG":"3465456.259","U251_Control_4_NEG":"8066412.475","U251_Pimozide_1_NEG":"10434300.69","U251_Pimozide_2_NEG":"8435902.615","U251_Pimozide_3_NEG":"7182794.198","U251_Pimozide_4_NEG":"8353434.124"},{"Metabolite":"5-Hydroxy-DL-tryptophan(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"61576.15772","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(None)","U251_Control_1_NEG":"446092.0794","U251_Control_2_NEG":"211634.2637","U251_Control_3_NEG":"222974.4325","U251_Control_4_NEG":"335389.0569","U251_Pimozide_1_NEG":"495824.1012","U251_Pimozide_2_NEG":"1031092.063","U251_Pimozide_3_NEG":"212877.8775","U251_Pimozide_4_NEG":"632953.9694"},{"Metabolite":"(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid(None)","U251_Control_1_NEG":"673879.6773","U251_Control_2_NEG":"0","U251_Control_3_NEG":"523567.4791","U251_Control_4_NEG":"1075184.258","U251_Pimozide_1_NEG":"755788.9767","U251_Pimozide_2_NEG":"1223515.947","U251_Pimozide_3_NEG":"873226.2758","U251_Pimozide_4_NEG":"0"},{"Metabolite":"5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(13C_1)","U251_Control_1_NEG":"23992.26167","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"308.5884913","U251_Pimozide_1_NEG":"14017.61081","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"9982.19885"},{"Metabolite":"2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(None)","U251_Control_1_NEG":"919794.0714","U251_Control_2_NEG":"1597664.41","U251_Control_3_NEG":"854015.1145","U251_Control_4_NEG":"900676.803","U251_Pimozide_1_NEG":"1211209.133","U251_Pimozide_2_NEG":"1707384.206","U251_Pimozide_3_NEG":"1505208.564","U251_Pimozide_4_NEG":"1058345.212"},{"Metabolite":"4-Tert-butyl-2,6-dinitroanisole(None)","U251_Control_1_NEG":"111799420.2","U251_Control_2_NEG":"98830687.12","U251_Control_3_NEG":"66262042.69","U251_Control_4_NEG":"68076582.12","U251_Pimozide_1_NEG":"114739710","U251_Pimozide_2_NEG":"119172880.1","U251_Pimozide_3_NEG":"76603771.84","U251_Pimozide_4_NEG":"62337503.43"},{"Metabolite":"2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"15320.60479","U251_Control_4_NEG":"6452.41307","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Butylparaben(None)","U251_Control_1_NEG":"7229974.817","U251_Control_2_NEG":"4693478.876","U251_Control_3_NEG":"5408251.242","U251_Control_4_NEG":"5714471.278","U251_Pimozide_1_NEG":"4903284.5","U251_Pimozide_2_NEG":"4874383.261","U251_Pimozide_3_NEG":"5859839.817","U251_Pimozide_4_NEG":"4569600.315"},{"Metabolite":"Anhalamine*,*5-Methyl-4-(1-pyrrolidinylmethyl)-2-furoic acid(None)","U251_Control_1_NEG":"25667018.02","U251_Control_2_NEG":"17147625.87","U251_Control_3_NEG":"16074775.37","U251_Control_4_NEG":"19466457.51","U251_Pimozide_1_NEG":"17159662.35","U251_Pimozide_2_NEG":"26258238.29","U251_Pimozide_3_NEG":"14486405.74","U251_Pimozide_4_NEG":"14783976.96"},{"Metabolite":"(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(None)","U251_Control_1_NEG":"967454.8542","U251_Control_2_NEG":"570497.3485","U251_Control_3_NEG":"567677.7746","U251_Control_4_NEG":"621487.2775","U251_Pimozide_1_NEG":"977885.4331","U251_Pimozide_2_NEG":"1008141.413","U251_Pimozide_3_NEG":"788202.7817","U251_Pimozide_4_NEG":"589397.5179"},{"Metabolite":"(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"16038.24157","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"37221.35906","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"17675.91846","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2-Amino-N''-(2,4-dinitrophenyl)-5-hydroxypentanehydrazide(None)","U251_Control_1_NEG":"7506418.784","U251_Control_2_NEG":"8142150.794","U251_Control_3_NEG":"12408856.57","U251_Control_4_NEG":"10749384.6","U251_Pimozide_1_NEG":"9900956.873","U251_Pimozide_2_NEG":"11024076.82","U251_Pimozide_3_NEG":"18873568.58","U251_Pimozide_4_NEG":"13146803.76"},{"Metabolite":"N-Acetyl-1-aspartylglutamic acid(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"7059500.245","U251_Control_3_NEG":"2435219.903","U251_Control_4_NEG":"9689562.251","U251_Pimozide_1_NEG":"11697388.15","U251_Pimozide_2_NEG":"7220870.27","U251_Pimozide_3_NEG":"8049093.701","U251_Pimozide_4_NEG":"29836685.77"},{"Metabolite":"N-Acetylneuraminic acid(None)","U251_Control_1_NEG":"15655910.47","U251_Control_2_NEG":"26863901.78","U251_Control_3_NEG":"19172130.23","U251_Control_4_NEG":"22047660.9","U251_Pimozide_1_NEG":"32075475.11","U251_Pimozide_2_NEG":"35437069.33","U251_Pimozide_3_NEG":"50670546.51","U251_Pimozide_4_NEG":"53335241.02"},{"Metabolite":"N-Acetylneuraminic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"191365.2087","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Di-tert-butyl malonate(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"137654.2034","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Dimethyl 2-hydroxy-7-methyloctanedioate(None)","U251_Control_1_NEG":"632021.1058","U251_Control_2_NEG":"455058.2606","U251_Control_3_NEG":"538081.9858","U251_Control_4_NEG":"571498.351","U251_Pimozide_1_NEG":"638897.4819","U251_Pimozide_2_NEG":"798967.3804","U251_Pimozide_3_NEG":"571051.7308","U251_Pimozide_4_NEG":"742970.4688"},{"Metabolite":"Dimethyl 2-hydroxy-7-methyloctanedioate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"3634.622541","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"24637.29221","U251_Pimozide_3_NEG":"15869.898","U251_Pimozide_4_NEG":"0"},{"Metabolite":"10-(Methylsulfonyl)decanenitrile(None)","U251_Control_1_NEG":"581611.7279","U251_Control_2_NEG":"333407.291","U251_Control_3_NEG":"635353.385","U251_Control_4_NEG":"243671.0113","U251_Pimozide_1_NEG":"244033.6329","U251_Pimozide_2_NEG":"882528.6498","U251_Pimozide_3_NEG":"759537.6941","U251_Pimozide_4_NEG":"1004203.834"},{"Metabolite":"TIQ-A(None)","U251_Control_1_NEG":"8549531.306","U251_Control_2_NEG":"7933035.585","U251_Control_3_NEG":"7954192.535","U251_Control_4_NEG":"8777734.133","U251_Pimozide_1_NEG":"4636555.639","U251_Pimozide_2_NEG":"5100603.912","U251_Pimozide_3_NEG":"5288669.012","U251_Pimozide_4_NEG":"5699892.005"},{"Metabolite":"TIQ-A(13C_2)","U251_Control_1_NEG":"929477.989","U251_Control_2_NEG":"815083.3924","U251_Control_3_NEG":"796357.5244","U251_Control_4_NEG":"955600.274","U251_Pimozide_1_NEG":"414371.906","U251_Pimozide_2_NEG":"540290.283","U251_Pimozide_3_NEG":"627558.579","U251_Pimozide_4_NEG":"587457.6808"},{"Metabolite":"TIQ-A(13C_3)","U251_Control_1_NEG":"466524.923","U251_Control_2_NEG":"675345.5064","U251_Control_3_NEG":"489879.9893","U251_Control_4_NEG":"743548.9655","U251_Pimozide_1_NEG":"1207447.089","U251_Pimozide_2_NEG":"1292811.128","U251_Pimozide_3_NEG":"1072231.763","U251_Pimozide_4_NEG":"1103550.166"},{"Metabolite":"TIQ-A(13C_4)","U251_Control_1_NEG":"4669394.774","U251_Control_2_NEG":"4641130.728","U251_Control_3_NEG":"4214111.04","U251_Control_4_NEG":"5197449.854","U251_Pimozide_1_NEG":"3508827.718","U251_Pimozide_2_NEG":"3931799.225","U251_Pimozide_3_NEG":"4423709.824","U251_Pimozide_4_NEG":"4383739.513"},{"Metabolite":"2,2''-Bipyridine-4,4''-dicarboxamide(None)","U251_Control_1_NEG":"221756.7322","U251_Control_2_NEG":"220863.4846","U251_Control_3_NEG":"292591.1394","U251_Control_4_NEG":"311939.9814","U251_Pimozide_1_NEG":"272568.0309","U251_Pimozide_2_NEG":"287120.7307","U251_Pimozide_3_NEG":"306938.0754","U251_Pimozide_4_NEG":"333807.7303"},{"Metabolite":"(2Z)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyacrylic acid*,*3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxiranecarboxylic acid(None)","U251_Control_1_NEG":"116897.9971","U251_Control_2_NEG":"125871.8956","U251_Control_3_NEG":"126003.4031","U251_Control_4_NEG":"125292.9033","U251_Pimozide_1_NEG":"134707.2945","U251_Pimozide_2_NEG":"175155.9283","U251_Pimozide_3_NEG":"160347.6041","U251_Pimozide_4_NEG":"196510.8704"},{"Metabolite":"3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(None)","U251_Control_1_NEG":"831430.2605","U251_Control_2_NEG":"788297.1925","U251_Control_3_NEG":"892718.2425","U251_Control_4_NEG":"582090.05","U251_Pimozide_1_NEG":"579799.4968","U251_Pimozide_2_NEG":"728709.8236","U251_Pimozide_3_NEG":"1302127.127","U251_Pimozide_4_NEG":"898136.6318"},{"Metabolite":"3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(13C_1)","U251_Control_1_NEG":"53469.07222","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"12773.61702","U251_Pimozide_3_NEG":"5010.838439","U251_Pimozide_4_NEG":"11.71069257"},{"Metabolite":"4-(4-Ethylphenyl)butanoic acid(None)","U251_Control_1_NEG":"3232471.478","U251_Control_2_NEG":"2231675.148","U251_Control_3_NEG":"2363310.844","U251_Control_4_NEG":"2601152.156","U251_Pimozide_1_NEG":"2217555.711","U251_Pimozide_2_NEG":"2116950.005","U251_Pimozide_3_NEG":"2128580.01","U251_Pimozide_4_NEG":"2281321.459"},{"Metabolite":"4-(4-Ethylphenyl)butanoic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"97552.1976","U251_Control_3_NEG":"33955.11033","U251_Control_4_NEG":"121853.0598","U251_Pimozide_1_NEG":"148101.4141","U251_Pimozide_2_NEG":"109067.6794","U251_Pimozide_3_NEG":"14122.43675","U251_Pimozide_4_NEG":"136006.3353"},{"Metabolite":"CMPF*,*Isoamyl Gallate(None)","U251_Control_1_NEG":"1046540.396","U251_Control_2_NEG":"1223886.356","U251_Control_3_NEG":"570269.0071","U251_Control_4_NEG":"1287759.852","U251_Pimozide_1_NEG":"1094852.492","U251_Pimozide_2_NEG":"1016484.566","U251_Pimozide_3_NEG":"589458.555","U251_Pimozide_4_NEG":"923659.16"},{"Metabolite":"(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(None)","U251_Control_1_NEG":"908665.5035","U251_Control_2_NEG":"599691.6361","U251_Control_3_NEG":"657102.0467","U251_Control_4_NEG":"679117.813","U251_Pimozide_1_NEG":"531215.4824","U251_Pimozide_2_NEG":"592582.1536","U251_Pimozide_3_NEG":"626917.2193","U251_Pimozide_4_NEG":"601421.9369"},{"Metabolite":"CMPF*,*Isoamyl Gallate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"12740.28616","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"27955.76422","U251_Pimozide_4_NEG":"0"},{"Metabolite":"(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"2331.579459","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"33080.82722","U251_Pimozide_3_NEG":"5107.29197","U251_Pimozide_4_NEG":"23904.00172"},{"Metabolite":"4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid(None)","U251_Control_1_NEG":"618488.289","U251_Control_2_NEG":"666676.0248","U251_Control_3_NEG":"396896.9351","U251_Control_4_NEG":"613210.949","U251_Pimozide_1_NEG":"710210.352","U251_Pimozide_2_NEG":"618399.1656","U251_Pimozide_3_NEG":"733872.8232","U251_Pimozide_4_NEG":"914042.0719"},{"Metabolite":"6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid(None)","U251_Control_1_NEG":"310266.2946","U251_Control_2_NEG":"172892.7906","U251_Control_3_NEG":"335015.8747","U251_Control_4_NEG":"232463.4528","U251_Pimozide_1_NEG":"189736.7809","U251_Pimozide_2_NEG":"958667.9466","U251_Pimozide_3_NEG":"524227.9049","U251_Pimozide_4_NEG":"273727.187"},{"Metabolite":"Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(None)","U251_Control_1_NEG":"819744.2054","U251_Control_2_NEG":"438331.249","U251_Control_3_NEG":"568640.5589","U251_Control_4_NEG":"431202.2579","U251_Pimozide_1_NEG":"440842.6125","U251_Pimozide_2_NEG":"746346.6386","U251_Pimozide_3_NEG":"623098.3237","U251_Pimozide_4_NEG":"604935.5317"},{"Metabolite":"Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"13307.98928","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"15279.40554","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"4699.150229","U251_Pimozide_4_NEG":"0"},{"Metabolite":"H-HIS-ARG-OH(None)","U251_Control_1_NEG":"1369574.436","U251_Control_2_NEG":"948629.2647","U251_Control_3_NEG":"2093304.411","U251_Control_4_NEG":"517353.0173","U251_Pimozide_1_NEG":"732997.2667","U251_Pimozide_2_NEG":"2402000.322","U251_Pimozide_3_NEG":"3209346.133","U251_Pimozide_4_NEG":"3400144.924"},{"Metabolite":"H-HIS-ARG-OH(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"3520.240113","U251_Control_3_NEG":"86361.08269","U251_Control_4_NEG":"1311.695156","U251_Pimozide_1_NEG":"38286.25421","U251_Pimozide_2_NEG":"25586.02361","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"5,8,12-Trihydroxy-2-oxododecanoic acid(None)","U251_Control_1_NEG":"470216.4397","U251_Control_2_NEG":"419717.3937","U251_Control_3_NEG":"544533.882","U251_Control_4_NEG":"543222.5757","U251_Pimozide_1_NEG":"395140.6729","U251_Pimozide_2_NEG":"515344.1079","U251_Pimozide_3_NEG":"635886.8343","U251_Pimozide_4_NEG":"638603.2604"},{"Metabolite":"S-3-oxodecanoyl cysteamine(None)","U251_Control_1_NEG":"2281701.363","U251_Control_2_NEG":"3276522.874","U251_Control_3_NEG":"4624439.237","U251_Control_4_NEG":"1344655.226","U251_Pimozide_1_NEG":"2539635.4","U251_Pimozide_2_NEG":"4850561.457","U251_Pimozide_3_NEG":"8370251.039","U251_Pimozide_4_NEG":"3610234.422"},{"Metabolite":"S-3-oxodecanoyl cysteamine(13C_1)","U251_Control_1_NEG":"37687.15714","U251_Control_2_NEG":"71510.26866","U251_Control_3_NEG":"0","U251_Control_4_NEG":"7136.190311","U251_Pimozide_1_NEG":"223222.6655","U251_Pimozide_2_NEG":"345437.733","U251_Pimozide_3_NEG":"539732.253","U251_Pimozide_4_NEG":"41974.0587"},{"Metabolite":"Benzoresorcinol(None)","U251_Control_1_NEG":"630289.2129","U251_Control_2_NEG":"887940.1065","U251_Control_3_NEG":"918518.5324","U251_Control_4_NEG":"992008.6275","U251_Pimozide_1_NEG":"737272.8394","U251_Pimozide_2_NEG":"545876.0672","U251_Pimozide_3_NEG":"844592.9703","U251_Pimozide_4_NEG":"822718.0447"},{"Metabolite":"4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone(None)","U251_Control_1_NEG":"424369.9789","U251_Control_2_NEG":"248870.9322","U251_Control_3_NEG":"324650.5763","U251_Control_4_NEG":"236254.8113","U251_Pimozide_1_NEG":"341223.2652","U251_Pimozide_2_NEG":"407614.3132","U251_Pimozide_3_NEG":"268056.6189","U251_Pimozide_4_NEG":"353264.9211"},{"Metabolite":"[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(None)","U251_Control_1_NEG":"6689228.634","U251_Control_2_NEG":"7645258.211","U251_Control_3_NEG":"5560166.21","U251_Control_4_NEG":"4460706.143","U251_Pimozide_1_NEG":"5694613.17","U251_Pimozide_2_NEG":"8447862.214","U251_Pimozide_3_NEG":"5557343.27","U251_Pimozide_4_NEG":"6299265.329"},{"Metabolite":"[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"210832.683","U251_Control_3_NEG":"250369.7941","U251_Control_4_NEG":"338610.0898","U251_Pimozide_1_NEG":"131717.7284","U251_Pimozide_2_NEG":"363419.6917","U251_Pimozide_3_NEG":"140228.9214","U251_Pimozide_4_NEG":"92407.09676"},{"Metabolite":"[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_2)","U251_Control_1_NEG":"102062.5402","U251_Control_2_NEG":"0","U251_Control_3_NEG":"48610.32978","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"52348.07638","U251_Pimozide_3_NEG":"71910.9111","U251_Pimozide_4_NEG":"67623.63223"},{"Metabolite":"Diethyl (2-oxocyclohexyl)malonate(None)","U251_Control_1_NEG":"328775.8595","U251_Control_2_NEG":"149629.5702","U251_Control_3_NEG":"152902.7716","U251_Control_4_NEG":"170295.1952","U251_Pimozide_1_NEG":"251212.466","U251_Pimozide_2_NEG":"516597.894","U251_Pimozide_3_NEG":"154278.816","U251_Pimozide_4_NEG":"393463.6182"},{"Metabolite":"Brassylic acid(None)","U251_Control_1_NEG":"1168591.492","U251_Control_2_NEG":"1415998.53","U251_Control_3_NEG":"1541307.901","U251_Control_4_NEG":"842417.0554","U251_Pimozide_1_NEG":"1007503.611","U251_Pimozide_2_NEG":"2349498.519","U251_Pimozide_3_NEG":"2046036.373","U251_Pimozide_4_NEG":"2027934.035"},{"Metabolite":"Brassylic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"11558.3006","U251_Control_3_NEG":"67910.82501","U251_Control_4_NEG":"16425.48002","U251_Pimozide_1_NEG":"1454.930052","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"94684.5173","U251_Pimozide_4_NEG":"9761.840603"},{"Metabolite":"N-(Adamantan-1-ylcarbonyl)alanine(None)","U251_Control_1_NEG":"6708781.831","U251_Control_2_NEG":"4633196.754","U251_Control_3_NEG":"5399515.443","U251_Control_4_NEG":"5267065.892","U251_Pimozide_1_NEG":"4761606.263","U251_Pimozide_2_NEG":"5630938.506","U251_Pimozide_3_NEG":"4155201.198","U251_Pimozide_4_NEG":"4822987.983"},{"Metabolite":"N-(Adamantan-1-ylcarbonyl)alanine(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"370941.369","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"152765.2308","U251_Pimozide_3_NEG":"67634.10594","U251_Pimozide_4_NEG":"180901.7846"},{"Metabolite":"Ethylene dodecanedioate(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"27050.82295","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"12209.71475","U251_Pimozide_4_NEG":"26290.08094"},{"Metabolite":"1-Isopropyl-4-methyl-7,12-dithiaspiro[5.6]dodecane(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"1007006.299","U251_Control_3_NEG":"1075977.661","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"902419.9868","U251_Pimozide_3_NEG":"1295192.424","U251_Pimozide_4_NEG":"1572880.333"},{"Metabolite":"Myristyl sulfate(None)","U251_Control_1_NEG":"91007.65927","U251_Control_2_NEG":"59868.99356","U251_Control_3_NEG":"193966.7122","U251_Control_4_NEG":"45892.58103","U251_Pimozide_1_NEG":"259361.6596","U251_Pimozide_2_NEG":"364276.8274","U251_Pimozide_3_NEG":"94505.45026","U251_Pimozide_4_NEG":"57159.3958"},{"Metabolite":"[1-(3,5-Dimethoxybenzyl)-3-oxo-2-piperazinyl]acetic acid(None)","U251_Control_1_NEG":"464661.1565","U251_Control_2_NEG":"244065.9493","U251_Control_3_NEG":"284065.7649","U251_Control_4_NEG":"268028.6052","U251_Pimozide_1_NEG":"412251.4982","U251_Pimozide_2_NEG":"449715.6517","U251_Pimozide_3_NEG":"267740.0058","U251_Pimozide_4_NEG":"238920.8375"},{"Metabolite":"udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(None)","U251_Control_1_NEG":"11389379.61","U251_Control_2_NEG":"12681531.98","U251_Control_3_NEG":"13310609.08","U251_Control_4_NEG":"12610732.98","U251_Pimozide_1_NEG":"15751610.4","U251_Pimozide_2_NEG":"14100843.35","U251_Pimozide_3_NEG":"12728471.85","U251_Pimozide_4_NEG":"22699495.17"},{"Metabolite":"udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"27944.02454","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"306031.4629"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(None)","U251_Control_1_NEG":"12455795.13","U251_Control_2_NEG":"14003548.05","U251_Control_3_NEG":"12415381.31","U251_Control_4_NEG":"10851586.81","U251_Pimozide_1_NEG":"16703245.25","U251_Pimozide_2_NEG":"17953181.67","U251_Pimozide_3_NEG":"18193932.09","U251_Pimozide_4_NEG":"19071112.35"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_1)","U251_Control_1_NEG":"181825.655","U251_Control_2_NEG":"75752.60389","U251_Control_3_NEG":"0","U251_Control_4_NEG":"38518.68537","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"27453.53719","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"40358.87138","U251_Pimozide_4_NEG":"9752.748108"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_3)","U251_Control_1_NEG":"24972.53394","U251_Control_2_NEG":"188154.2982","U251_Control_3_NEG":"174265.6818","U251_Control_4_NEG":"168176.5776","U251_Pimozide_1_NEG":"676772.3859","U251_Pimozide_2_NEG":"470868.5058","U251_Pimozide_3_NEG":"695012.443","U251_Pimozide_4_NEG":"594657.7828"},{"Metabolite":"Methyl N,S-dihexanoylcysteinate(None)","U251_Control_1_NEG":"515477.2463","U251_Control_2_NEG":"1384463.899","U251_Control_3_NEG":"1038286.665","U251_Control_4_NEG":"537706.4798","U251_Pimozide_1_NEG":"393968.0495","U251_Pimozide_2_NEG":"1679853.973","U251_Pimozide_3_NEG":"540244.3686","U251_Pimozide_4_NEG":"372063.5013"},{"Metabolite":"Methyl N,S-dihexanoylcysteinate(13C_1)","U251_Control_1_NEG":"51795.27586","U251_Control_2_NEG":"94885.62238","U251_Control_3_NEG":"108987.1576","U251_Control_4_NEG":"74687.50465","U251_Pimozide_1_NEG":"13318.61412","U251_Pimozide_2_NEG":"120381.0808","U251_Pimozide_3_NEG":"20097.77861","U251_Pimozide_4_NEG":"10770.01345"},{"Metabolite":"Ethyl myristate(None)","U251_Control_1_NEG":"72516.65679","U251_Control_2_NEG":"64492.86948","U251_Control_3_NEG":"63334.59759","U251_Control_4_NEG":"32400.54514","U251_Pimozide_1_NEG":"80471.83512","U251_Pimozide_2_NEG":"71586.28006","U251_Pimozide_3_NEG":"48545.88926","U251_Pimozide_4_NEG":"73054.58103"},{"Metabolite":"16-Hydroxyhexadecanoic acid(None)","U251_Control_1_NEG":"52955.6643","U251_Control_2_NEG":"84158.93821","U251_Control_3_NEG":"250168.6361","U251_Control_4_NEG":"325069.7796","U251_Pimozide_1_NEG":"76332.1926","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"145488.485","U251_Pimozide_4_NEG":"441408.4346"},{"Metabolite":"UDP-GALC NAC(None)","U251_Control_1_NEG":"15620072.06","U251_Control_2_NEG":"17422379.69","U251_Control_3_NEG":"6995760.021","U251_Control_4_NEG":"17917954.95","U251_Pimozide_1_NEG":"18502206.49","U251_Pimozide_2_NEG":"19921285.65","U251_Pimozide_3_NEG":"21813302.21","U251_Pimozide_4_NEG":"19864152.26"},{"Metabolite":"UDP-GALC NAC(13C_2)","U251_Control_1_NEG":"57839.28785","U251_Control_2_NEG":"239346.2886","U251_Control_3_NEG":"551420.0888","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"574048.4189","U251_Pimozide_2_NEG":"202794.5627","U251_Pimozide_3_NEG":"595575.7908","U251_Pimozide_4_NEG":"513539.9491"},{"Metabolite":"UDP-GALC NAC(13C_3)","U251_Control_1_NEG":"67266.51409","U251_Control_2_NEG":"233830.862","U251_Control_3_NEG":"154773.1577","U251_Control_4_NEG":"302396.42","U251_Pimozide_1_NEG":"412618.4652","U251_Pimozide_2_NEG":"503002.9767","U251_Pimozide_3_NEG":"555940.5792","U251_Pimozide_4_NEG":"426052.5273"},{"Metabolite":"5,4''-dihydroxy-3,3''-dimethoxy-6,7-methylenedioxyflavone(None)","U251_Control_1_NEG":"1496806.003","U251_Control_2_NEG":"995645.761","U251_Control_3_NEG":"940605.7566","U251_Control_4_NEG":"887692.8409","U251_Pimozide_1_NEG":"1721625.567","U251_Pimozide_2_NEG":"1488667.298","U251_Pimozide_3_NEG":"1274836.912","U251_Pimozide_4_NEG":"1694824.41"},{"Metabolite":"5,4''-dihydroxy-3,3''-dimethoxy-6,7-methylenedioxyflavone(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"18427.4419","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"10678.97952","U251_Pimozide_2_NEG":"86716.88486","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"12617.35045"},{"Metabolite":"L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(None)","U251_Control_1_NEG":"381685.3568","U251_Control_2_NEG":"1608713.818","U251_Control_3_NEG":"930093.1937","U251_Control_4_NEG":"216642.1803","U251_Pimozide_1_NEG":"349877.6264","U251_Pimozide_2_NEG":"850892.3611","U251_Pimozide_3_NEG":"568261.5945","U251_Pimozide_4_NEG":"554374.4171"},{"Metabolite":"L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"59057.3181","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"20421.10438","U251_Pimozide_2_NEG":"2117.254085","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"30354.91646"},{"Metabolite":"L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_5)","U251_Control_1_NEG":"83844.18667","U251_Control_2_NEG":"362538.3781","U251_Control_3_NEG":"227740.7876","U251_Control_4_NEG":"57236.67909","U251_Pimozide_1_NEG":"250248.9403","U251_Pimozide_2_NEG":"561924.7891","U251_Pimozide_3_NEG":"160389.4844","U251_Pimozide_4_NEG":"393571.5909"},{"Metabolite":"4-(4-Dodecanyl)benzenesulfonic acid(None)","U251_Control_1_NEG":"235410.2561","U251_Control_2_NEG":"40019.47157","U251_Control_3_NEG":"315492.0929","U251_Control_4_NEG":"111807.351","U251_Pimozide_1_NEG":"383216.7326","U251_Pimozide_2_NEG":"507786.8761","U251_Pimozide_3_NEG":"544098.7525","U251_Pimozide_4_NEG":"216518.3561"},{"Metabolite":"(+/-)9-HpODE(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"20581.15272","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"25123.56047","U251_Pimozide_3_NEG":"19700.43771","U251_Pimozide_4_NEG":"10103.17959"},{"Metabolite":"(+/-)12(13)-DiHOME*,*(+/-)9,10-dihydroxy-12Z-octadecenoic acid(None)","U251_Control_1_NEG":"60093.0683","U251_Control_2_NEG":"23187.35564","U251_Control_3_NEG":"92786.3028","U251_Control_4_NEG":"14834.61051","U251_Pimozide_1_NEG":"96670.6048","U251_Pimozide_2_NEG":"94731.13182","U251_Pimozide_3_NEG":"18626.18403","U251_Pimozide_4_NEG":"39152.43731"},{"Metabolite":"3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(None)","U251_Control_1_NEG":"500751.1653","U251_Control_2_NEG":"326231.7683","U251_Control_3_NEG":"478538.1469","U251_Control_4_NEG":"190332.6216","U251_Pimozide_1_NEG":"288630.8393","U251_Pimozide_2_NEG":"606144.4388","U251_Pimozide_3_NEG":"676608.5574","U251_Pimozide_4_NEG":"825668.2765"},{"Metabolite":"3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"18974.23936","U251_Control_3_NEG":"7279.192133","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"1720.833049","U251_Pimozide_4_NEG":"0"},{"Metabolite":"L-Glutathione oxidized(None)","U251_Control_1_NEG":"6174848.288","U251_Control_2_NEG":"5397426.076","U251_Control_3_NEG":"3866135.718","U251_Control_4_NEG":"11853993.71","U251_Pimozide_1_NEG":"6466724.73","U251_Pimozide_2_NEG":"4037466.007","U251_Pimozide_3_NEG":"2555816.971","U251_Pimozide_4_NEG":"3286347.292"},{"Metabolite":"L-Glutathione oxidized(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"66108.14209","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"83608.19781","U251_Pimozide_4_NEG":"0"},{"Metabolite":"L-Glutathione oxidized(13C_10)","U251_Control_1_NEG":"265489.1471","U251_Control_2_NEG":"333605.4658","U251_Control_3_NEG":"213033.1139","U251_Control_4_NEG":"964737.136","U251_Pimozide_1_NEG":"3212854.034","U251_Pimozide_2_NEG":"1504619.98","U251_Pimozide_3_NEG":"1373154.309","U251_Pimozide_4_NEG":"1478713.183"},{"Metabolite":"L-Glutathione oxidized(13C_11)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"11309.28315","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"L-Glutathione oxidized(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"243125.3324","U251_Pimozide_2_NEG":"61549.01393","U251_Pimozide_3_NEG":"47551.81416","U251_Pimozide_4_NEG":"81035.59205"},{"Metabolite":"L-Glutathione oxidized(13C_4)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"39509.17955","U251_Control_3_NEG":"12423.61383","U251_Control_4_NEG":"257971.5173","U251_Pimozide_1_NEG":"158553.3202","U251_Pimozide_2_NEG":"146733.6479","U251_Pimozide_3_NEG":"115011.3504","U251_Pimozide_4_NEG":"144782.9218"},{"Metabolite":"L-Glutathione oxidized(13C_5)","U251_Control_1_NEG":"2213144.554","U251_Control_2_NEG":"2712739.789","U251_Control_3_NEG":"1858545.297","U251_Control_4_NEG":"6475128.645","U251_Pimozide_1_NEG":"9194398.883","U251_Pimozide_2_NEG":"4869772.199","U251_Pimozide_3_NEG":"3989468.429","U251_Pimozide_4_NEG":"4680111.863"},{"Metabolite":"L-Glutathione oxidized(13C_9)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"209770.0513","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"55378.76419","U251_Pimozide_4_NEG":"52117.57945"},{"Metabolite":"Dibutyl dodecanedioate(None)","U251_Control_1_NEG":"39451.99498","U251_Control_2_NEG":"158697.7816","U251_Control_3_NEG":"114690.6358","U251_Control_4_NEG":"88829.04323","U251_Pimozide_1_NEG":"132962.0601","U251_Pimozide_2_NEG":"130992.8325","U251_Pimozide_3_NEG":"131317.8559","U251_Pimozide_4_NEG":"152636.3997"},{"Metabolite":"beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(None)","U251_Control_1_NEG":"1559022.249","U251_Control_2_NEG":"1941882.538","U251_Control_3_NEG":"1808561.694","U251_Control_4_NEG":"2108885.654","U251_Pimozide_1_NEG":"2376566.297","U251_Pimozide_2_NEG":"2147468.272","U251_Pimozide_3_NEG":"2068043.52","U251_Pimozide_4_NEG":"2123290.045"},{"Metabolite":"beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"286865.609","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"NADH(None)","U251_Control_1_NEG":"461988.452","U251_Control_2_NEG":"201731.1552","U251_Control_3_NEG":"0","U251_Control_4_NEG":"323016.7698","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"309286.6195","U251_Pimozide_3_NEG":"125324.9835","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Trifluoroacetic acid(None)","U251_Control_1_NEG":"6679055470","U251_Control_2_NEG":"5904750326","U251_Control_3_NEG":"3741655910","U251_Control_4_NEG":"2320281442","U251_Pimozide_1_NEG":"6237495209","U251_Pimozide_2_NEG":"6835067813","U251_Pimozide_3_NEG":"490977753.7","U251_Pimozide_4_NEG":"7139776655"},{"Metabolite":"Trifluoroacetic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"29004981.99","U251_Control_4_NEG":"97861595.86","U251_Pimozide_1_NEG":"10056590.53","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"479160.6719","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Mesyl anhydride(None)","U251_Control_1_NEG":"2283848.013","U251_Control_2_NEG":"3232669.133","U251_Control_3_NEG":"2448161.199","U251_Control_4_NEG":"2951325.856","U251_Pimozide_1_NEG":"3025688.17","U251_Pimozide_2_NEG":"2638336.572","U251_Pimozide_3_NEG":"2680982.028","U251_Pimozide_4_NEG":"2556507.048"},{"Metabolite":"Taurine(None)","U251_Control_1_NEG":"30208483.75","U251_Control_2_NEG":"25706653.82","U251_Control_3_NEG":"24471415.78","U251_Control_4_NEG":"23109217.61","U251_Pimozide_1_NEG":"33656368.16","U251_Pimozide_2_NEG":"26968007.81","U251_Pimozide_3_NEG":"32186045.32","U251_Pimozide_4_NEG":"31293073.17"},{"Metabolite":"Taurine(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"300492.7771","U251_Control_3_NEG":"0","U251_Control_4_NEG":"316463.0172","U251_Pimozide_1_NEG":"63130.33312","U251_Pimozide_2_NEG":"382638.9201","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Pyruvate(None)","U251_Control_1_NEG":"4652829.427","U251_Control_2_NEG":"8949238.591","U251_Control_3_NEG":"4691644.311","U251_Control_4_NEG":"10075374.86","U251_Pimozide_1_NEG":"11629623.66","U251_Pimozide_2_NEG":"8917813.433","U251_Pimozide_3_NEG":"4875763.741","U251_Pimozide_4_NEG":"7325946.588"},{"Metabolite":"Pyruvate(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"42396.53981","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"18593.21618","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Pyruvate(13C_3)","U251_Control_1_NEG":"265835.5605","U251_Control_2_NEG":"320860.6327","U251_Control_3_NEG":"224974.3036","U251_Control_4_NEG":"343283.4492","U251_Pimozide_1_NEG":"304245.1806","U251_Pimozide_2_NEG":"437010.7662","U251_Pimozide_3_NEG":"518648.0469","U251_Pimozide_4_NEG":"665645.6027"},{"Metabolite":"Malonic acid(None)","U251_Control_1_NEG":"4145799.229","U251_Control_2_NEG":"5240468.81","U251_Control_3_NEG":"3509645.486","U251_Control_4_NEG":"3738158.226","U251_Pimozide_1_NEG":"5070149.155","U251_Pimozide_2_NEG":"2784615.291","U251_Pimozide_3_NEG":"4136988.294","U251_Pimozide_4_NEG":"3819850.307"},{"Metabolite":"phosphoenolpyruvate (PEP)(None)","U251_Control_1_NEG":"2715749.196","U251_Control_2_NEG":"3786756.569","U251_Control_3_NEG":"5209996.912","U251_Control_4_NEG":"7038167.29","U251_Pimozide_1_NEG":"2415562.094","U251_Pimozide_2_NEG":"5687277.874","U251_Pimozide_3_NEG":"4257949.193","U251_Pimozide_4_NEG":"3268922.858"},{"Metabolite":"Lactate(None)","U251_Control_1_NEG":"339653247.4","U251_Control_2_NEG":"342912231.6","U251_Control_3_NEG":"200605212.1","U251_Control_4_NEG":"315744148.9","U251_Pimozide_1_NEG":"465103759.3","U251_Pimozide_2_NEG":"481284292.1","U251_Pimozide_3_NEG":"479452283.5","U251_Pimozide_4_NEG":"515874919"},{"Metabolite":"Lactate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"2512776.446","U251_Control_4_NEG":"1103532.773","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Lactate(13C_3)","U251_Control_1_NEG":"322408.0727","U251_Control_2_NEG":"1124122.097","U251_Control_3_NEG":"242038.0447","U251_Control_4_NEG":"563645.6576","U251_Pimozide_1_NEG":"358860.6625","U251_Pimozide_2_NEG":"868364.9711","U251_Pimozide_3_NEG":"467343.1167","U251_Pimozide_4_NEG":"1287322.184"},{"Metabolite":"DL-Glyceric acid(None)","U251_Control_1_NEG":"2368910.052","U251_Control_2_NEG":"1745534.605","U251_Control_3_NEG":"723687.9286","U251_Control_4_NEG":"2074366.867","U251_Pimozide_1_NEG":"4333396.878","U251_Pimozide_2_NEG":"2136579.062","U251_Pimozide_3_NEG":"1115234.833","U251_Pimozide_4_NEG":"1340526.049"},{"Metabolite":"[(Methylsulfonyl)oxy]acetic acid(None)","U251_Control_1_NEG":"2862678.844","U251_Control_2_NEG":"3277848.209","U251_Control_3_NEG":"1927116.61","U251_Control_4_NEG":"3293453.52","U251_Pimozide_1_NEG":"1901961.494","U251_Pimozide_2_NEG":"1605889.803","U251_Pimozide_3_NEG":"2204132.541","U251_Pimozide_4_NEG":"2889735.475"},{"Metabolite":"β-Alanine*,*Alanine(None)","U251_Control_1_NEG":"1712735.971","U251_Control_2_NEG":"1756699.859","U251_Control_3_NEG":"1338559.022","U251_Control_4_NEG":"2116140.348","U251_Pimozide_1_NEG":"924767.5172","U251_Pimozide_2_NEG":"1026872.837","U251_Pimozide_3_NEG":"1275989.061","U251_Pimozide_4_NEG":"1424765.481"},{"Metabolite":"β-Alanine*,*Alanine(13C_1)","U251_Control_1_NEG":"20202.5757","U251_Control_2_NEG":"9369.239973","U251_Control_3_NEG":"25281.13693","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"β-Alanine*,*Alanine(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"97276.67847","U251_Control_4_NEG":"172540.4172","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"162371.9768","U251_Pimozide_3_NEG":"136311.5162","U251_Pimozide_4_NEG":"149170.2352"},{"Metabolite":"β-Alanine*,*Alanine(13C_3)","U251_Control_1_NEG":"1240694.586","U251_Control_2_NEG":"1357822.851","U251_Control_3_NEG":"1283245.869","U251_Control_4_NEG":"1668357.333","U251_Pimozide_1_NEG":"1087095.924","U251_Pimozide_2_NEG":"1240383.84","U251_Pimozide_3_NEG":"1376665.549","U251_Pimozide_4_NEG":"1224817.358"},{"Metabolite":"glycerol 1,2-cyclic phosphate(None)","U251_Control_1_NEG":"11313630.23","U251_Control_2_NEG":"11490836.95","U251_Control_3_NEG":"9214338.381","U251_Control_4_NEG":"11880934.56","U251_Pimozide_1_NEG":"17972597.74","U251_Pimozide_2_NEG":"16032700.9","U251_Pimozide_3_NEG":"18931293.76","U251_Pimozide_4_NEG":"13540733.28"},{"Metabolite":"glycerol 1,2-cyclic phosphate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"13775.1705","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"191010.2818"},{"Metabolite":"D-Glyceraldehyde3-Phosphate(GADP)(None)","U251_Control_1_NEG":"361808.3703","U251_Control_2_NEG":"499974.6238","U251_Control_3_NEG":"481072.01","U251_Control_4_NEG":"538788.2078","U251_Pimozide_1_NEG":"861416.2755","U251_Pimozide_2_NEG":"787094.9474","U251_Pimozide_3_NEG":"815383.9553","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Dihydroxyacetone Phosphate (DHAP)*,*DL-Glyceraldehyde 3-phosphate(None)","U251_Control_1_NEG":"11503182.78","U251_Control_2_NEG":"10440592.64","U251_Control_3_NEG":"3693570.524","U251_Control_4_NEG":"3415937.617","U251_Pimozide_1_NEG":"16345705.11","U251_Pimozide_2_NEG":"15008368.02","U251_Pimozide_3_NEG":"15405155.04","U251_Pimozide_4_NEG":"12066760.72"},{"Metabolite":"3-phosphoglycerate (3PG)(None)","U251_Control_1_NEG":"11183636.62","U251_Control_2_NEG":"14338903.44","U251_Control_3_NEG":"0","U251_Control_4_NEG":"5319543.629","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"14425456.22","U251_Pimozide_3_NEG":"22120817.9","U251_Pimozide_4_NEG":"16928801.57"},{"Metabolite":"2-Phosphoglycerate (2PG)(None)","U251_Control_1_NEG":"13874410.22","U251_Control_2_NEG":"12303666.85","U251_Control_3_NEG":"41216431.31","U251_Control_4_NEG":"19402640.96","U251_Pimozide_1_NEG":"33818951.2","U251_Pimozide_2_NEG":"11674155.89","U251_Pimozide_3_NEG":"21873562.02","U251_Pimozide_4_NEG":"13808692.83"},{"Metabolite":"3-phosphoglycerate (3PG)(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"18411.79766","U251_Control_3_NEG":"308670.7497","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"373819.5886","U251_Pimozide_2_NEG":"60963.10693","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"3173.484535"},{"Metabolite":"3-phosphoglycerate (3PG)(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"6261.639653","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2-Phosphoglycerate (2PG)(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"53457.50611","U251_Control_3_NEG":"0","U251_Control_4_NEG":"30355.46929","U251_Pimozide_1_NEG":"23822.0257","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"DL-alpha-Glycerol phosphate(None)","U251_Control_1_NEG":"2583655.57","U251_Control_2_NEG":"2627856.275","U251_Control_3_NEG":"5845784.437","U251_Control_4_NEG":"2867705.152","U251_Pimozide_1_NEG":"3785645.515","U251_Pimozide_2_NEG":"4164059.784","U251_Pimozide_3_NEG":"10004591.51","U251_Pimozide_4_NEG":"4556649.158"},{"Metabolite":"O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphoryl}-L-serine(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"95580.2387","U251_Control_3_NEG":"408447.4849","U251_Control_4_NEG":"132658.3251","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"218540.1757","U251_Pimozide_3_NEG":"169702.9456","U251_Pimozide_4_NEG":"345101.7276"},{"Metabolite":"O-{[(2R)-2-(Docosanoyloxy)-3-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine(None)","U251_Control_1_NEG":"281155.576","U251_Control_2_NEG":"490159.7667","U251_Control_3_NEG":"849603.9645","U251_Control_4_NEG":"317506.0496","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"515959.6754","U251_Pimozide_3_NEG":"518165.5164","U251_Pimozide_4_NEG":"765962.7306"},{"Metabolite":"Phosphocreatine(None)","U251_Control_1_NEG":"38525016.57","U251_Control_2_NEG":"41930613.34","U251_Control_3_NEG":"40656412.58","U251_Control_4_NEG":"46070274.89","U251_Pimozide_1_NEG":"61617350.81","U251_Pimozide_2_NEG":"51536787.44","U251_Pimozide_3_NEG":"51512906.68","U251_Pimozide_4_NEG":"58094147.37"},{"Metabolite":"Phosphocreatine(13C_1)","U251_Control_1_NEG":"1500874.248","U251_Control_2_NEG":"1753029.707","U251_Control_3_NEG":"1624739.468","U251_Control_4_NEG":"1784325.141","U251_Pimozide_1_NEG":"2493162.022","U251_Pimozide_2_NEG":"2000102.4","U251_Pimozide_3_NEG":"2110005.265","U251_Pimozide_4_NEG":"1977618.725"},{"Metabolite":"Phosphocreatine(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"155375.6423","U251_Control_4_NEG":"97526.26698","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"P-DMEA(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"5306615.665","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"4620747.334","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"4647218.238"},{"Metabolite":"3,6-Dibromopyridazine(None)","U251_Control_1_NEG":"864302.8264","U251_Control_2_NEG":"1054026.504","U251_Control_3_NEG":"1091211.362","U251_Control_4_NEG":"1153747.669","U251_Pimozide_1_NEG":"1361809.68","U251_Pimozide_2_NEG":"855056.4263","U251_Pimozide_3_NEG":"979940.6952","U251_Pimozide_4_NEG":"841233.7546"},{"Metabolite":"2-Aminothiazole-4-carboxylic acid(None)","U251_Control_1_NEG":"743056.0127","U251_Control_2_NEG":"217054.4473","U251_Control_3_NEG":"345089.3067","U251_Control_4_NEG":"335398.2473","U251_Pimozide_1_NEG":"252454.6091","U251_Pimozide_2_NEG":"431509.4813","U251_Pimozide_3_NEG":"236309.1464","U251_Pimozide_4_NEG":"408844.5153"},{"Metabolite":"Maleic acid(None)","U251_Control_1_NEG":"18690224.36","U251_Control_2_NEG":"12124373.18","U251_Control_3_NEG":"15519364.77","U251_Control_4_NEG":"17474230.42","U251_Pimozide_1_NEG":"16218125.29","U251_Pimozide_2_NEG":"9654023.257","U251_Pimozide_3_NEG":"14458387.07","U251_Pimozide_4_NEG":"16259918.92"},{"Metabolite":"Fumaric acid(None)","U251_Control_1_NEG":"29730178.12","U251_Control_2_NEG":"23671684.23","U251_Control_3_NEG":"27161598.04","U251_Control_4_NEG":"28874434.14","U251_Pimozide_1_NEG":"26953534.41","U251_Pimozide_2_NEG":"22617216.21","U251_Pimozide_3_NEG":"24764436.7","U251_Pimozide_4_NEG":"28091847.7"},{"Metabolite":"Maleic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"302667.0674","U251_Control_3_NEG":"0","U251_Control_4_NEG":"505.0296893","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"88504.90831","U251_Pimozide_3_NEG":"200774.5595","U251_Pimozide_4_NEG":"269142.6866"},{"Metabolite":"Fumaric acid(13C_1)","U251_Control_1_NEG":"303724.378","U251_Control_2_NEG":"380959.2047","U251_Control_3_NEG":"579752.9917","U251_Control_4_NEG":"253107.3031","U251_Pimozide_1_NEG":"313416.9269","U251_Pimozide_2_NEG":"373354.4584","U251_Pimozide_3_NEG":"314725.7589","U251_Pimozide_4_NEG":"515825.4416"},{"Metabolite":"Fumaric acid(13C_2)","U251_Control_1_NEG":"3385780.468","U251_Control_2_NEG":"2663704.597","U251_Control_3_NEG":"2428410.67","U251_Control_4_NEG":"2185439.207","U251_Pimozide_1_NEG":"2796623.512","U251_Pimozide_2_NEG":"2421353.713","U251_Pimozide_3_NEG":"3134663.29","U251_Pimozide_4_NEG":"2725228.718"},{"Metabolite":"Maleic acid(13C_2)","U251_Control_1_NEG":"1540631.149","U251_Control_2_NEG":"750961.7542","U251_Control_3_NEG":"1150789.331","U251_Control_4_NEG":"1090376.794","U251_Pimozide_1_NEG":"1156890.081","U251_Pimozide_2_NEG":"951480.1012","U251_Pimozide_3_NEG":"1780129.853","U251_Pimozide_4_NEG":"1793179.438"},{"Metabolite":"Fumaric acid(13C_3)","U251_Control_1_NEG":"2831248.741","U251_Control_2_NEG":"3033985.947","U251_Control_3_NEG":"2863587.573","U251_Control_4_NEG":"4267589.018","U251_Pimozide_1_NEG":"9808369.508","U251_Pimozide_2_NEG":"7543647.431","U251_Pimozide_3_NEG":"7194247.977","U251_Pimozide_4_NEG":"8103614.145"},{"Metabolite":"Maleic acid(13C_3)","U251_Control_1_NEG":"1359250.587","U251_Control_2_NEG":"1626149.474","U251_Control_3_NEG":"1232117.242","U251_Control_4_NEG":"2048352.705","U251_Pimozide_1_NEG":"4899141.499","U251_Pimozide_2_NEG":"3191391.545","U251_Pimozide_3_NEG":"3682494.857","U251_Pimozide_4_NEG":"3088408.411"},{"Metabolite":"Fumaric acid(13C_4)","U251_Control_1_NEG":"19794855.24","U251_Control_2_NEG":"17378904.45","U251_Control_3_NEG":"19088144.12","U251_Control_4_NEG":"25926051.99","U251_Pimozide_1_NEG":"29071072.27","U251_Pimozide_2_NEG":"25272557.02","U251_Pimozide_3_NEG":"29932483.5","U251_Pimozide_4_NEG":"30645074.31"},{"Metabolite":"Maleic acid(13C_4)","U251_Control_1_NEG":"10245295.31","U251_Control_2_NEG":"9482889.059","U251_Control_3_NEG":"5477826.246","U251_Control_4_NEG":"4365712.064","U251_Pimozide_1_NEG":"11198011.85","U251_Pimozide_2_NEG":"9793258.788","U251_Pimozide_3_NEG":"15449292.99","U251_Pimozide_4_NEG":"16248452.33"},{"Metabolite":"Biacetyl(None)","U251_Control_1_NEG":"1379359.813","U251_Control_2_NEG":"865839.4019","U251_Control_3_NEG":"661788.8041","U251_Control_4_NEG":"915263.3766","U251_Pimozide_1_NEG":"962646.837","U251_Pimozide_2_NEG":"961382.4421","U251_Pimozide_3_NEG":"736611.7984","U251_Pimozide_4_NEG":"1301829.345"},{"Metabolite":"Biacetyl(13C_1)","U251_Control_1_NEG":"51667.75406","U251_Control_2_NEG":"40628.05152","U251_Control_3_NEG":"19256.78227","U251_Control_4_NEG":"6279.75587","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"29416.85365","U251_Pimozide_4_NEG":"29445.36455"},{"Metabolite":"Biacetyl(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"94373.94193","U251_Control_3_NEG":"46712.18847","U251_Control_4_NEG":"92453.56072","U251_Pimozide_1_NEG":"107143.5596","U251_Pimozide_2_NEG":"124943.7398","U251_Pimozide_3_NEG":"120729.7832","U251_Pimozide_4_NEG":"195681.5098"},{"Metabolite":"Biacetyl(13C_3)","U251_Control_1_NEG":"949840.9994","U251_Control_2_NEG":"807676.8234","U251_Control_3_NEG":"522850.9072","U251_Control_4_NEG":"680981.0189","U251_Pimozide_1_NEG":"899534.1079","U251_Pimozide_2_NEG":"794420.9126","U251_Pimozide_3_NEG":"1024806.248","U251_Pimozide_4_NEG":"1403158.672"},{"Metabolite":"2-Ketobutyric acid(None)","U251_Control_1_NEG":"3379048.276","U251_Control_2_NEG":"3957706.749","U251_Control_3_NEG":"2043427.934","U251_Control_4_NEG":"3061685.291","U251_Pimozide_1_NEG":"4032950.616","U251_Pimozide_2_NEG":"2845373.97","U251_Pimozide_3_NEG":"2728757.337","U251_Pimozide_4_NEG":"4416860.498"},{"Metabolite":"2-Ketobutyric acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"7683.357343"},{"Metabolite":"2-Ketobutyric acid(13C_2)","U251_Control_1_NEG":"48842.98282","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"87625.90484","U251_Pimozide_1_NEG":"133207.5928","U251_Pimozide_2_NEG":"63325.55794","U251_Pimozide_3_NEG":"89394.38551","U251_Pimozide_4_NEG":"140233.115"},{"Metabolite":"2-Ketobutyric acid(13C_4)","U251_Control_1_NEG":"3520283.253","U251_Control_2_NEG":"4816674.182","U251_Control_3_NEG":"2237406.13","U251_Control_4_NEG":"4040672.427","U251_Pimozide_1_NEG":"8401917.384","U251_Pimozide_2_NEG":"6321595.833","U251_Pimozide_3_NEG":"5936034.264","U251_Pimozide_4_NEG":"9453981.925"},{"Metabolite":"Succinate(None)","U251_Control_1_NEG":"29729596.97","U251_Control_2_NEG":"26101390.37","U251_Control_3_NEG":"17962552.14","U251_Control_4_NEG":"21539626.71","U251_Pimozide_1_NEG":"16410956.1","U251_Pimozide_2_NEG":"14256551.22","U251_Pimozide_3_NEG":"19499949.24","U251_Pimozide_4_NEG":"20209809.1"},{"Metabolite":"Succinate(13C_1)","U251_Control_1_NEG":"269675.4074","U251_Control_2_NEG":"112461.3802","U251_Control_3_NEG":"92216.90138","U251_Control_4_NEG":"177227.8375","U251_Pimozide_1_NEG":"156363.4976","U251_Pimozide_2_NEG":"113200.6985","U251_Pimozide_3_NEG":"111207.7051","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Succinate(13C_2)","U251_Control_1_NEG":"1777808.447","U251_Control_2_NEG":"1172229.527","U251_Control_3_NEG":"921330.5831","U251_Control_4_NEG":"1312730.362","U251_Pimozide_1_NEG":"1027585.802","U251_Pimozide_2_NEG":"1045189.979","U251_Pimozide_3_NEG":"1346021.47","U251_Pimozide_4_NEG":"1358144.866"},{"Metabolite":"Succinate(13C_3)","U251_Control_1_NEG":"266048.9904","U251_Control_2_NEG":"250241.5589","U251_Control_3_NEG":"173013.8034","U251_Control_4_NEG":"239927.445","U251_Pimozide_1_NEG":"367931.9068","U251_Pimozide_2_NEG":"323138.8516","U251_Pimozide_3_NEG":"360010.3744","U251_Pimozide_4_NEG":"358633.1865"},{"Metabolite":"Succinate(13C_4)","U251_Control_1_NEG":"9524084.932","U251_Control_2_NEG":"9011262.195","U251_Control_3_NEG":"6692648.953","U251_Control_4_NEG":"9413742.806","U251_Pimozide_1_NEG":"13203905.57","U251_Pimozide_2_NEG":"11530686.82","U251_Pimozide_3_NEG":"13140235.71","U251_Pimozide_4_NEG":"13055823.25"},{"Metabolite":"Malate(None)","U251_Control_1_NEG":"614074806.9","U251_Control_2_NEG":"487577354.9","U251_Control_3_NEG":"591766483.3","U251_Control_4_NEG":"613481157.2","U251_Pimozide_1_NEG":"541414096.4","U251_Pimozide_2_NEG":"450219145.6","U251_Pimozide_3_NEG":"489422433.8","U251_Pimozide_4_NEG":"582098704.7"},{"Metabolite":"Malate(13C_1)","U251_Control_1_NEG":"11705372.39","U251_Control_2_NEG":"5935488.148","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"3359395.375","U251_Pimozide_2_NEG":"5062052.39","U251_Pimozide_3_NEG":"11915448.96","U251_Pimozide_4_NEG":"7672224.707"},{"Metabolite":"Malate(13C_2)","U251_Control_1_NEG":"70957012.83","U251_Control_2_NEG":"46949116.27","U251_Control_3_NEG":"42948781.39","U251_Control_4_NEG":"47073842.23","U251_Pimozide_1_NEG":"50549072.34","U251_Pimozide_2_NEG":"48058243.81","U251_Pimozide_3_NEG":"71120156.85","U251_Pimozide_4_NEG":"66005051.57"},{"Metabolite":"Malate(13C_3)","U251_Control_1_NEG":"50830005.29","U251_Control_2_NEG":"56881315.26","U251_Control_3_NEG":"60315719.19","U251_Control_4_NEG":"83871657.81","U251_Pimozide_1_NEG":"177128054.3","U251_Pimozide_2_NEG":"137627670.4","U251_Pimozide_3_NEG":"131402594.5","U251_Pimozide_4_NEG":"152459550.1"},{"Metabolite":"Malate(13C_4)","U251_Control_1_NEG":"372969312.1","U251_Control_2_NEG":"347081394","U251_Control_3_NEG":"392942469.9","U251_Control_4_NEG":"477816079.7","U251_Pimozide_1_NEG":"519206539.5","U251_Pimozide_2_NEG":"453822722","U251_Pimozide_3_NEG":"606160246.5","U251_Pimozide_4_NEG":"556700478.9"},{"Metabolite":"Timonacic(None)","U251_Control_1_NEG":"2094736.122","U251_Control_2_NEG":"3158493","U251_Control_3_NEG":"2572788.374","U251_Control_4_NEG":"3282931.223","U251_Pimozide_1_NEG":"3390715.952","U251_Pimozide_2_NEG":"4180591.906","U251_Pimozide_3_NEG":"4436833.654","U251_Pimozide_4_NEG":"4633960.278"},{"Metabolite":"Aspartic acid(None)","U251_Control_1_NEG":"46506657.85","U251_Control_2_NEG":"49025328.63","U251_Control_3_NEG":"49711422.02","U251_Control_4_NEG":"55983496.96","U251_Pimozide_1_NEG":"27199927","U251_Pimozide_2_NEG":"30563056.99","U251_Pimozide_3_NEG":"29837180.12","U251_Pimozide_4_NEG":"32486324.48"},{"Metabolite":"Aspartic acid(13C_1)","U251_Control_1_NEG":"651449.7663","U251_Control_2_NEG":"323036.8303","U251_Control_3_NEG":"412450.6001","U251_Control_4_NEG":"370541.1646","U251_Pimozide_1_NEG":"180410.0919","U251_Pimozide_2_NEG":"204638.3391","U251_Pimozide_3_NEG":"119942.7427","U251_Pimozide_4_NEG":"210950.2775"},{"Metabolite":"Aspartic acid(13C_2)","U251_Control_1_NEG":"5130200.886","U251_Control_2_NEG":"4411655.734","U251_Control_3_NEG":"4592571.095","U251_Control_4_NEG":"5678636.165","U251_Pimozide_1_NEG":"2283799.112","U251_Pimozide_2_NEG":"2930056.864","U251_Pimozide_3_NEG":"3604725.424","U251_Pimozide_4_NEG":"3239340.51"},{"Metabolite":"Aspartic acid(13C_3)","U251_Control_1_NEG":"3414784.191","U251_Control_2_NEG":"4593945.042","U251_Control_3_NEG":"3897800.872","U251_Control_4_NEG":"5625726.743","U251_Pimozide_1_NEG":"7082067.844","U251_Pimozide_2_NEG":"7248015.969","U251_Pimozide_3_NEG":"6526809.646","U251_Pimozide_4_NEG":"6607320.539"},{"Metabolite":"Aspartic acid(13C_4)","U251_Control_1_NEG":"26356822.37","U251_Control_2_NEG":"28716043.38","U251_Control_3_NEG":"26496743.42","U251_Control_4_NEG":"34438594.57","U251_Pimozide_1_NEG":"21555784.24","U251_Pimozide_2_NEG":"24956208.84","U251_Pimozide_3_NEG":"27937147.03","U251_Pimozide_4_NEG":"25274452.9"},{"Metabolite":"(R)-2-Hydroxybutyric acid*,*3-Hydroxybutyric acid(None)","U251_Control_1_NEG":"333462.6589","U251_Control_2_NEG":"740190.6938","U251_Control_3_NEG":"671370.9073","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"715217.1834","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"795410.8785","U251_Pimozide_4_NEG":"2529572.494"},{"Metabolite":"L-Threonic acid(None)","U251_Control_1_NEG":"39312875.07","U251_Control_2_NEG":"51551709.07","U251_Control_3_NEG":"41423037.97","U251_Control_4_NEG":"30460300.51","U251_Pimozide_1_NEG":"66747190.92","U251_Pimozide_2_NEG":"74421748.87","U251_Pimozide_3_NEG":"80095633.08","U251_Pimozide_4_NEG":"61799610.85"},{"Metabolite":"L-Threonic acid(13C_1)","U251_Control_1_NEG":"1110954.891","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"423236.3816","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Methyl [(methylsulfonyl)oxy]acetate(None)","U251_Control_1_NEG":"338940.9282","U251_Control_2_NEG":"430115.2276","U251_Control_3_NEG":"245609.6392","U251_Control_4_NEG":"250946.7085","U251_Pimozide_1_NEG":"186234.7179","U251_Pimozide_2_NEG":"230155.6272","U251_Pimozide_3_NEG":"180679.6278","U251_Pimozide_4_NEG":"0"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(None)","U251_Control_1_NEG":"8397291.491","U251_Control_2_NEG":"9426410.363","U251_Control_3_NEG":"8455991.063","U251_Control_4_NEG":"9387226.936","U251_Pimozide_1_NEG":"6917052.976","U251_Pimozide_2_NEG":"5748983.253","U251_Pimozide_3_NEG":"7327348.869","U251_Pimozide_4_NEG":"7424936.423"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_2)","U251_Control_1_NEG":"83969.27577","U251_Control_2_NEG":"119084.1444","U251_Control_3_NEG":"0","U251_Control_4_NEG":"146916.0522","U251_Pimozide_1_NEG":"131940.8009","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"181951.4849","U251_Pimozide_4_NEG":"0"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_3)","U251_Control_1_NEG":"1337965.694","U251_Control_2_NEG":"1391003.98","U251_Control_3_NEG":"0","U251_Control_4_NEG":"1462554.879","U251_Pimozide_1_NEG":"1136633.739","U251_Pimozide_2_NEG":"1398053.286","U251_Pimozide_3_NEG":"1512544.216","U251_Pimozide_4_NEG":"1378517.237"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_4)","U251_Control_1_NEG":"8845144.627","U251_Control_2_NEG":"11644917.1","U251_Control_3_NEG":"9786206.745","U251_Control_4_NEG":"12334524.16","U251_Pimozide_1_NEG":"13434706.85","U251_Pimozide_2_NEG":"15162783.39","U251_Pimozide_3_NEG":"15654115.29","U251_Pimozide_4_NEG":"14666001.67"},{"Metabolite":"Threonine(None)","U251_Control_1_NEG":"31821086.62","U251_Control_2_NEG":"31613969.19","U251_Control_3_NEG":"30146248.73","U251_Control_4_NEG":"31303328.09","U251_Pimozide_1_NEG":"34477806.01","U251_Pimozide_2_NEG":"36373878.83","U251_Pimozide_3_NEG":"35210536.23","U251_Pimozide_4_NEG":"30651488.77"},{"Metabolite":"Erythrose, 4-phosphate(None)","U251_Control_1_NEG":"96877.061","U251_Control_2_NEG":"112942.2204","U251_Control_3_NEG":"0","U251_Control_4_NEG":"114993.9032","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"119100.2334","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Valine(None)","U251_Control_1_NEG":"9417883.526","U251_Control_2_NEG":"8587610.687","U251_Control_3_NEG":"7760665.182","U251_Control_4_NEG":"9399594.847","U251_Pimozide_1_NEG":"9981578.476","U251_Pimozide_2_NEG":"10689875.8","U251_Pimozide_3_NEG":"10710111.73","U251_Pimozide_4_NEG":"12682947.11"},{"Metabolite":"Glycerylphosphorylethanolamine(None)","U251_Control_1_NEG":"5748510.565","U251_Control_2_NEG":"5442750.524","U251_Control_3_NEG":"4061800.784","U251_Control_4_NEG":"4914393.181","U251_Pimozide_1_NEG":"8147767.523","U251_Pimozide_2_NEG":"9109589.697","U251_Pimozide_3_NEG":"8264462.076","U251_Pimozide_4_NEG":"8235918.452"},{"Metabolite":"2,4-Dichloro-5-pyrimidinecarbonitrile(None)","U251_Control_1_NEG":"6987075.575","U251_Control_2_NEG":"0","U251_Control_3_NEG":"12433300.19","U251_Control_4_NEG":"13433132.26","U251_Pimozide_1_NEG":"3443806.845","U251_Pimozide_2_NEG":"3350439.735","U251_Pimozide_3_NEG":"3972705.307","U251_Pimozide_4_NEG":"3051196.709"},{"Metabolite":"Orotic acid(None)","U251_Control_1_NEG":"3104092.714","U251_Control_2_NEG":"4514511.594","U251_Control_3_NEG":"4526020.652","U251_Control_4_NEG":"3107933.775","U251_Pimozide_1_NEG":"4960980.215","U251_Pimozide_2_NEG":"4228458.147","U251_Pimozide_3_NEG":"7644285.534","U251_Pimozide_4_NEG":"9889698.633"},{"Metabolite":"Orotic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"115779.8774","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Orotic acid(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"164999.216","U251_Pimozide_3_NEG":"307397.6181","U251_Pimozide_4_NEG":"331992.3371"},{"Metabolite":"Orotic acid(13C_3)","U251_Control_1_NEG":"445422.8519","U251_Control_2_NEG":"790678.1049","U251_Control_3_NEG":"714196.6216","U251_Control_4_NEG":"501046.0419","U251_Pimozide_1_NEG":"1103907.172","U251_Pimozide_2_NEG":"885533.0973","U251_Pimozide_3_NEG":"1560617.588","U251_Pimozide_4_NEG":"1853628.894"},{"Metabolite":"Orotic acid(13C_4)","U251_Control_1_NEG":"1894038.863","U251_Control_2_NEG":"2571428.994","U251_Control_3_NEG":"2757712.83","U251_Control_4_NEG":"1821300.593","U251_Pimozide_1_NEG":"3512463.878","U251_Pimozide_2_NEG":"2686425.167","U251_Pimozide_3_NEG":"6225803.023","U251_Pimozide_4_NEG":"6242688.945"},{"Metabolite":"Xanthine(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"44742.23676","U251_Pimozide_1_NEG":"61697.01711","U251_Pimozide_2_NEG":"87122.21361","U251_Pimozide_3_NEG":"65934.53606","U251_Pimozide_4_NEG":"79872.21732"},{"Metabolite":"Itaconic acid(None)","U251_Control_1_NEG":"6072005.096","U251_Control_2_NEG":"6355713.732","U251_Control_3_NEG":"3996089.48","U251_Control_4_NEG":"5032728.69","U251_Pimozide_1_NEG":"5347833.635","U251_Pimozide_2_NEG":"5742500.49","U251_Pimozide_3_NEG":"3640247.943","U251_Pimozide_4_NEG":"5027826.211"},{"Metabolite":"Itaconic acid(13C_1)","U251_Control_1_NEG":"297134.621","U251_Control_2_NEG":"230568.1989","U251_Control_3_NEG":"180958.3675","U251_Control_4_NEG":"88628.26324","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"219778.7917","U251_Pimozide_4_NEG":"204631.2071"},{"Metabolite":"Itaconic acid(13C_2)","U251_Control_1_NEG":"518644.2024","U251_Control_2_NEG":"439694.0141","U251_Control_3_NEG":"372974.1447","U251_Control_4_NEG":"411949.8873","U251_Pimozide_1_NEG":"284479.348","U251_Pimozide_2_NEG":"457319.1372","U251_Pimozide_3_NEG":"539447.5854","U251_Pimozide_4_NEG":"581771.5299"},{"Metabolite":"Itaconic acid(13C_3)","U251_Control_1_NEG":"813081.8971","U251_Control_2_NEG":"653718.772","U251_Control_3_NEG":"474547.5008","U251_Control_4_NEG":"624474.0556","U251_Pimozide_1_NEG":"1323135.935","U251_Pimozide_2_NEG":"1205398.254","U251_Pimozide_3_NEG":"790748.2236","U251_Pimozide_4_NEG":"1170165.224"},{"Metabolite":"Itaconic acid(13C_4)","U251_Control_1_NEG":"3088957.022","U251_Control_2_NEG":"3480328.173","U251_Control_3_NEG":"2375536.345","U251_Control_4_NEG":"3075280.044","U251_Pimozide_1_NEG":"4520119.173","U251_Pimozide_2_NEG":"4789057.351","U251_Pimozide_3_NEG":"4112549.94","U251_Pimozide_4_NEG":"6006171.322"},{"Metabolite":"alpha-Ketoglutarate(None)","U251_Control_1_NEG":"3187297.874","U251_Control_2_NEG":"4086255.655","U251_Control_3_NEG":"2609119.734","U251_Control_4_NEG":"6245163.241","U251_Pimozide_1_NEG":"3209511.435","U251_Pimozide_2_NEG":"2563632.652","U251_Pimozide_3_NEG":"1419522.799","U251_Pimozide_4_NEG":"3293615.501"},{"Metabolite":"alpha-ketoglutarate(None)","U251_Control_1_NEG":"15662099.18","U251_Control_2_NEG":"15970114.03","U251_Control_3_NEG":"9037297.373","U251_Control_4_NEG":"14365367.92","U251_Pimozide_1_NEG":"17205025.41","U251_Pimozide_2_NEG":"12805302.34","U251_Pimozide_3_NEG":"12475774.1","U251_Pimozide_4_NEG":"20738028.13"},{"Metabolite":"alpha-ketoglutarate(13C_1)","U251_Control_1_NEG":"161875.8134","U251_Control_2_NEG":"88264.44805","U251_Control_3_NEG":"15317.23332","U251_Control_4_NEG":"136341.7344","U251_Pimozide_1_NEG":"27887.35827","U251_Pimozide_2_NEG":"64656.81802","U251_Pimozide_3_NEG":"179837.4043","U251_Pimozide_4_NEG":"273580.4891"},{"Metabolite":"alpha-ketoglutarate(13C_2)","U251_Control_1_NEG":"217037.6491","U251_Control_2_NEG":"232224.436","U251_Control_3_NEG":"127164.2037","U251_Control_4_NEG":"298404.7077","U251_Pimozide_1_NEG":"519778.3642","U251_Pimozide_2_NEG":"345931.8456","U251_Pimozide_3_NEG":"321523.6444","U251_Pimozide_4_NEG":"611213.3407"},{"Metabolite":"alpha-Ketoglutarate(13C_3)","U251_Control_1_NEG":"240730.1574","U251_Control_2_NEG":"366325.5834","U251_Control_3_NEG":"241946.5854","U251_Control_4_NEG":"796039.0875","U251_Pimozide_1_NEG":"205821.6166","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"444357.6863"},{"Metabolite":"alpha-ketoglutarate(13C_3)","U251_Control_1_NEG":"2281004.299","U251_Control_2_NEG":"2457892.323","U251_Control_3_NEG":"1075416.707","U251_Control_4_NEG":"2054448.685","U251_Pimozide_1_NEG":"3046528.944","U251_Pimozide_2_NEG":"2313075.203","U251_Pimozide_3_NEG":"2501685.487","U251_Pimozide_4_NEG":"3720169.109"},{"Metabolite":"alpha-ketoglutarate(13C_4)","U251_Control_1_NEG":"496616.8013","U251_Control_2_NEG":"625079.909","U251_Control_3_NEG":"222607.6194","U251_Control_4_NEG":"576591.6024","U251_Pimozide_1_NEG":"1264302.229","U251_Pimozide_2_NEG":"943153.403","U251_Pimozide_3_NEG":"852526.3027","U251_Pimozide_4_NEG":"1364993.439"},{"Metabolite":"alpha-Ketoglutarate(13C_4)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"28223.30584","U251_Control_3_NEG":"7314.583603","U251_Control_4_NEG":"144886.2299","U251_Pimozide_1_NEG":"10540.40838","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"alpha-ketoglutarate(13C_5)","U251_Control_1_NEG":"17661267.16","U251_Control_2_NEG":"20728921.66","U251_Control_3_NEG":"9318168.286","U251_Control_4_NEG":"19579699.58","U251_Pimozide_1_NEG":"41570473.78","U251_Pimozide_2_NEG":"30747753.61","U251_Pimozide_3_NEG":"28970355.72","U251_Pimozide_4_NEG":"46381947.28"},{"Metabolite":"alpha-Ketoglutarate(13C_5)","U251_Control_1_NEG":"6511893.02","U251_Control_2_NEG":"6763379.545","U251_Control_3_NEG":"3246638.349","U251_Control_4_NEG":"9572471.977","U251_Pimozide_1_NEG":"11206864.85","U251_Pimozide_2_NEG":"6626297.216","U251_Pimozide_3_NEG":"6045090.711","U251_Pimozide_4_NEG":"7560310.143"},{"Metabolite":"4-Oxoproline(None)","U251_Control_1_NEG":"67677092.31","U251_Control_2_NEG":"67080932.91","U251_Control_3_NEG":"36633914.05","U251_Control_4_NEG":"64765589.27","U251_Pimozide_1_NEG":"49275986.15","U251_Pimozide_2_NEG":"46612913.88","U251_Pimozide_3_NEG":"22710931.48","U251_Pimozide_4_NEG":"61818305.59"},{"Metabolite":"L-Pyroglutamic acid(None)","U251_Control_1_NEG":"15201671.28","U251_Control_2_NEG":"12621945.4","U251_Control_3_NEG":"15042860.37","U251_Control_4_NEG":"15272972.5","U251_Pimozide_1_NEG":"13229714.54","U251_Pimozide_2_NEG":"18008553.8","U251_Pimozide_3_NEG":"18368737.72","U251_Pimozide_4_NEG":"20249816.3"},{"Metabolite":"4-Oxoproline(13C_1)","U251_Control_1_NEG":"156733.0014","U251_Control_2_NEG":"0","U251_Control_3_NEG":"1439670.39","U251_Control_4_NEG":"396073.1616","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"68723.79838","U251_Pimozide_4_NEG":"0"},{"Metabolite":"L-Pyroglutamic acid(13C_1)","U251_Control_1_NEG":"6941.716934","U251_Control_2_NEG":"85040.48814","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"140486.2298","U251_Pimozide_2_NEG":"65845.90351","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"259262.0496"},{"Metabolite":"4-Oxoproline(13C_2)","U251_Control_1_NEG":"273509.0937","U251_Control_2_NEG":"270797.2567","U251_Control_3_NEG":"220310.6253","U251_Control_4_NEG":"436225.6342","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"292484.8057","U251_Pimozide_4_NEG":"357775.018"},{"Metabolite":"L-Pyroglutamic acid(13C_2)","U251_Control_1_NEG":"26468.46711","U251_Control_2_NEG":"33638.46937","U251_Control_3_NEG":"36212.89322","U251_Control_4_NEG":"77424.67282","U251_Pimozide_1_NEG":"108109.4533","U251_Pimozide_2_NEG":"71342.12087","U251_Pimozide_3_NEG":"185221.1674","U251_Pimozide_4_NEG":"227556.1489"},{"Metabolite":"L-Pyroglutamic acid(13C_3)","U251_Control_1_NEG":"684092.0176","U251_Control_2_NEG":"560581.866","U251_Control_3_NEG":"475411.827","U251_Control_4_NEG":"673785.3683","U251_Pimozide_1_NEG":"776396.1686","U251_Pimozide_2_NEG":"1082178.61","U251_Pimozide_3_NEG":"1248681.854","U251_Pimozide_4_NEG":"1356238.212"},{"Metabolite":"4-Oxoproline(13C_3)","U251_Control_1_NEG":"11692154.53","U251_Control_2_NEG":"7453845","U251_Control_3_NEG":"4447224.259","U251_Control_4_NEG":"4595479.951","U251_Pimozide_1_NEG":"8409807.309","U251_Pimozide_2_NEG":"9397320.182","U251_Pimozide_3_NEG":"4404375.607","U251_Pimozide_4_NEG":"9078491.484"},{"Metabolite":"L-Pyroglutamic acid(13C_4)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"1008853.818","U251_Control_3_NEG":"1079750.031","U251_Control_4_NEG":"1223357.022","U251_Pimozide_1_NEG":"952473.2179","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"2101515.907"},{"Metabolite":"4-Oxoproline(13C_4)","U251_Control_1_NEG":"1686654.118","U251_Control_2_NEG":"2518426.145","U251_Control_3_NEG":"1278014.537","U251_Control_4_NEG":"2110166.202","U251_Pimozide_1_NEG":"3245320.035","U251_Pimozide_2_NEG":"3367233.127","U251_Pimozide_3_NEG":"1566415.592","U251_Pimozide_4_NEG":"3858344.302"},{"Metabolite":"4-Oxoproline(13C_5)","U251_Control_1_NEG":"77873125.32","U251_Control_2_NEG":"35269025.97","U251_Control_3_NEG":"35641790.61","U251_Control_4_NEG":"42573981.25","U251_Pimozide_1_NEG":"117328966.2","U251_Pimozide_2_NEG":"119533986.5","U251_Pimozide_3_NEG":"54796368.56","U251_Pimozide_4_NEG":"126561317.2"},{"Metabolite":"L-Pyroglutamic acid(13C_5)","U251_Control_1_NEG":"30742186.53","U251_Control_2_NEG":"32605454.96","U251_Control_3_NEG":"34913565.42","U251_Control_4_NEG":"41043382.91","U251_Pimozide_1_NEG":"50060552.64","U251_Pimozide_2_NEG":"55561885.37","U251_Pimozide_3_NEG":"69483179.75","U251_Pimozide_4_NEG":"61744509.4"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(None)","U251_Control_1_NEG":"4367837.522","U251_Control_2_NEG":"4469899.682","U251_Control_3_NEG":"4287329.648","U251_Control_4_NEG":"4216451.042","U251_Pimozide_1_NEG":"3144319.142","U251_Pimozide_2_NEG":"2787275.16","U251_Pimozide_3_NEG":"3456827.417","U251_Pimozide_4_NEG":"3637629.734"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"156270.9692","U251_Control_3_NEG":"176732.6928","U251_Control_4_NEG":"149321.0989","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"64205.37687","U251_Pimozide_4_NEG":"68947.06655"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_3)","U251_Control_1_NEG":"3408955.45","U251_Control_2_NEG":"4314443.562","U251_Control_3_NEG":"3021436.95","U251_Control_4_NEG":"3975658.291","U251_Pimozide_1_NEG":"5306137.356","U251_Pimozide_2_NEG":"6076796.087","U251_Pimozide_3_NEG":"4739042.042","U251_Pimozide_4_NEG":"4236067.034"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_4)","U251_Control_1_NEG":"202651.3297","U251_Control_2_NEG":"317386.5442","U251_Control_3_NEG":"196032.2993","U251_Control_4_NEG":"350450.5624","U251_Pimozide_1_NEG":"499082.3755","U251_Pimozide_2_NEG":"583855.433","U251_Pimozide_3_NEG":"360597.9994","U251_Pimozide_4_NEG":"229948.8918"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_5)","U251_Control_1_NEG":"5413062.359","U251_Control_2_NEG":"6173926.076","U251_Control_3_NEG":"4740774.734","U251_Control_4_NEG":"6465375.807","U251_Pimozide_1_NEG":"8460693.54","U251_Pimozide_2_NEG":"8607816.452","U251_Pimozide_3_NEG":"8780665.077","U251_Pimozide_4_NEG":"8934919.527"},{"Metabolite":"Ureidosuccinic acid(None)","U251_Control_1_NEG":"4584893.127","U251_Control_2_NEG":"5110057.251","U251_Control_3_NEG":"5767308.711","U251_Control_4_NEG":"4492254.644","U251_Pimozide_1_NEG":"5711108.327","U251_Pimozide_2_NEG":"4690395.041","U251_Pimozide_3_NEG":"10299082.46","U251_Pimozide_4_NEG":"12904083.11"},{"Metabolite":"Ureidosuccinic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"13548.83063","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"34344.7139","U251_Pimozide_4_NEG":"79097.83675"},{"Metabolite":"Ureidosuccinic acid(13C_3)","U251_Control_1_NEG":"546871.0283","U251_Control_2_NEG":"1001656.963","U251_Control_3_NEG":"932773.823","U251_Control_4_NEG":"817585.3552","U251_Pimozide_1_NEG":"1473404.576","U251_Pimozide_2_NEG":"1188720.599","U251_Pimozide_3_NEG":"2312461.409","U251_Pimozide_4_NEG":"2890068.704"},{"Metabolite":"Ureidosuccinic acid(13C_4)","U251_Control_1_NEG":"2947366.284","U251_Control_2_NEG":"3505454.233","U251_Control_3_NEG":"3933679.092","U251_Control_4_NEG":"3123764.505","U251_Pimozide_1_NEG":"4901364.9","U251_Pimozide_2_NEG":"5552800.382","U251_Pimozide_3_NEG":"9407002.936","U251_Pimozide_4_NEG":"13279055.44"},{"Metabolite":"Ureidosuccinic acid(13C_5)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"47033.8883","U251_Pimozide_4_NEG":"73608.75565"},{"Metabolite":"Methyl acetoacetate*,*Levulinic acid(None)","U251_Control_1_NEG":"1752022.698","U251_Control_2_NEG":"2046712.758","U251_Control_3_NEG":"1269055.308","U251_Control_4_NEG":"1915402.325","U251_Pimozide_1_NEG":"3563017.309","U251_Pimozide_2_NEG":"3280960.128","U251_Pimozide_3_NEG":"2675414.939","U251_Pimozide_4_NEG":"3975124.86"},{"Metabolite":"Methyl acetoacetate*,*Levulinic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"188812.2071","U251_Pimozide_2_NEG":"1393.906307","U251_Pimozide_3_NEG":"69.48290622","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Glutaric acid(None)","U251_Control_1_NEG":"6889984.062","U251_Control_2_NEG":"254931.8513","U251_Control_3_NEG":"6954154.353","U251_Control_4_NEG":"7642793.092","U251_Pimozide_1_NEG":"4670070.872","U251_Pimozide_2_NEG":"4010183.597","U251_Pimozide_3_NEG":"10386905.73","U251_Pimozide_4_NEG":"3207500.831"},{"Metabolite":"Glutaric acid(13C_1)","U251_Control_1_NEG":"129963.0756","U251_Control_2_NEG":"133275.0247","U251_Control_3_NEG":"73593.8344","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"139763.981","U251_Pimozide_2_NEG":"167259.6272","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"140930.703"},{"Metabolite":"Glutaric acid(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"91727.00053","U251_Pimozide_2_NEG":"62367.43201","U251_Pimozide_3_NEG":"150473.3212","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2-Hydroxy glutaric acid(None)","U251_Control_1_NEG":"47923346.54","U251_Control_2_NEG":"53667695","U251_Control_3_NEG":"40072304.5","U251_Control_4_NEG":"56611714.6","U251_Pimozide_1_NEG":"34870778.75","U251_Pimozide_2_NEG":"26647627.56","U251_Pimozide_3_NEG":"36999937.37","U251_Pimozide_4_NEG":"58387254.58"},{"Metabolite":"2-Hydroxy glutaric acid(13C_1)","U251_Control_1_NEG":"12857.1238","U251_Control_2_NEG":"0","U251_Control_3_NEG":"93771.84395","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"376712.9624","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2-Hydroxy glutaric acid(13C_3)","U251_Control_1_NEG":"120153.823","U251_Control_2_NEG":"236872.5835","U251_Control_3_NEG":"163281.5576","U251_Control_4_NEG":"156622.0405","U251_Pimozide_1_NEG":"165830.3971","U251_Pimozide_2_NEG":"493802.1305","U251_Pimozide_3_NEG":"289391.3999","U251_Pimozide_4_NEG":"624446.675"},{"Metabolite":"2-Hydroxy glutaric acid(13C_4)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"5746.643212","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"215255.5501","U251_Pimozide_2_NEG":"132565.3434","U251_Pimozide_3_NEG":"232971.4225","U251_Pimozide_4_NEG":"310473.7931"},{"Metabolite":"2-Hydroxy glutaric acid(13C_5)","U251_Control_1_NEG":"4269053.911","U251_Control_2_NEG":"5178425.824","U251_Control_3_NEG":"3608462.302","U251_Control_4_NEG":"7165469.74","U251_Pimozide_1_NEG":"10636839.46","U251_Pimozide_2_NEG":"10076813.43","U251_Pimozide_3_NEG":"12516176.2","U251_Pimozide_4_NEG":"14473097.8"},{"Metabolite":"(2Z)-2-[(Sulfooxy)methyl]-2-butenoic acid(None)","U251_Control_1_NEG":"288501.6047","U251_Control_2_NEG":"566650.5891","U251_Control_3_NEG":"515049.5952","U251_Control_4_NEG":"538541.3269","U251_Pimozide_1_NEG":"771092.8604","U251_Pimozide_2_NEG":"625523.1288","U251_Pimozide_3_NEG":"944380.025","U251_Pimozide_4_NEG":"3530504.923"},{"Metabolite":"L-Proline(None)","U251_Control_1_NEG":"5136085.937","U251_Control_2_NEG":"5755560.557","U251_Control_3_NEG":"4042629.029","U251_Control_4_NEG":"3016596.093","U251_Pimozide_1_NEG":"1300044.367","U251_Pimozide_2_NEG":"6107432.622","U251_Pimozide_3_NEG":"5775901.809","U251_Pimozide_4_NEG":"7027967.899"},{"Metabolite":"L-Proline(13C_5)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"431292.5174","U251_Control_3_NEG":"211426.7419","U251_Control_4_NEG":"546804.9463","U251_Pimozide_1_NEG":"772132.1269","U251_Pimozide_2_NEG":"933856.048","U251_Pimozide_3_NEG":"847820.7198","U251_Pimozide_4_NEG":"1032814.521"},{"Metabolite":"Aminolevulinic acid(None)","U251_Control_1_NEG":"1987678.289","U251_Control_2_NEG":"2163194.499","U251_Control_3_NEG":"2555046.724","U251_Control_4_NEG":"1077531.179","U251_Pimozide_1_NEG":"2565746.665","U251_Pimozide_2_NEG":"2749027.768","U251_Pimozide_3_NEG":"2411803.114","U251_Pimozide_4_NEG":"3252787.449"},{"Metabolite":"trans-4-Hydroxy-L-Proline(None)","U251_Control_1_NEG":"3302869.207","U251_Control_2_NEG":"2904806.086","U251_Control_3_NEG":"1942320.153","U251_Control_4_NEG":"3137522.091","U251_Pimozide_1_NEG":"4344072.44","U251_Pimozide_2_NEG":"4575489.38","U251_Pimozide_3_NEG":"1579754.787","U251_Pimozide_4_NEG":"4322178.357"},{"Metabolite":"N-Acetylalanine(None)","U251_Control_1_NEG":"4614463.443","U251_Control_2_NEG":"5059238.697","U251_Control_3_NEG":"4293280.875","U251_Control_4_NEG":"4901020.138","U251_Pimozide_1_NEG":"4645833.149","U251_Pimozide_2_NEG":"5266157.946","U251_Pimozide_3_NEG":"5196573.686","U251_Pimozide_4_NEG":"5529436.083"},{"Metabolite":"N-Acetylalanine(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"246319.5111","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"N-Acetylalanine(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"13569.82435","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"102387.648","U251_Pimozide_2_NEG":"81019.85481","U251_Pimozide_3_NEG":"82017.33048","U251_Pimozide_4_NEG":"99266.32845"},{"Metabolite":"N-Acetyl-L-cysteine(None)","U251_Control_1_NEG":"6013586.135","U251_Control_2_NEG":"5591491.036","U251_Control_3_NEG":"3014096.098","U251_Control_4_NEG":"5651649.616","U251_Pimozide_1_NEG":"6187384.259","U251_Pimozide_2_NEG":"5177192.197","U251_Pimozide_3_NEG":"3469587.566","U251_Pimozide_4_NEG":"4892115.919"},{"Metabolite":"N-Acetyl-L-cysteine(13C_1)","U251_Control_1_NEG":"232236.205","U251_Control_2_NEG":"352700.1763","U251_Control_3_NEG":"141800.8334","U251_Control_4_NEG":"340310.7668","U251_Pimozide_1_NEG":"303846.7125","U251_Pimozide_2_NEG":"253884.4341","U251_Pimozide_3_NEG":"169627.3717","U251_Pimozide_4_NEG":"240608.1306"},{"Metabolite":"N-Acetyl-L-cysteine(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"28512.32747","U251_Pimozide_3_NEG":"50657.11838","U251_Pimozide_4_NEG":"0"},{"Metabolite":"O-Acetylserine(None)","U251_Control_1_NEG":"84483330.98","U251_Control_2_NEG":"0","U251_Control_3_NEG":"40288349.32","U251_Control_4_NEG":"61237972.49","U251_Pimozide_1_NEG":"90603762.3","U251_Pimozide_2_NEG":"97941369.71","U251_Pimozide_3_NEG":"95720415.64","U251_Pimozide_4_NEG":"58831936.89"},{"Metabolite":"O-Acetylserine(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"1731392.068","U251_Control_3_NEG":"348629.5844","U251_Control_4_NEG":"119120.9435","U251_Pimozide_1_NEG":"982224.1499","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"4-Methyl-2-oxovaleric acid(None)","U251_Control_1_NEG":"1572234.512","U251_Control_2_NEG":"3614536.125","U251_Control_3_NEG":"14826695.09","U251_Control_4_NEG":"16666620.51","U251_Pimozide_1_NEG":"28216867.4","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"5862147.126","U251_Pimozide_4_NEG":"27717736.06"},{"Metabolite":"(Hydroxyethyl)methacrylate*,*6-Oxohexanoic acid*,*4-Methyl-2-oxovaleric acid(None)","U251_Control_1_NEG":"4788039.851","U251_Control_2_NEG":"14726229.2","U251_Control_3_NEG":"12155702.67","U251_Control_4_NEG":"9146398.466","U251_Pimozide_1_NEG":"25861597.36","U251_Pimozide_2_NEG":"24332038.66","U251_Pimozide_3_NEG":"20476679.12","U251_Pimozide_4_NEG":"5877689.306"},{"Metabolite":"6-Oxohexanoic acid(None)","U251_Control_1_NEG":"7354359.705","U251_Control_2_NEG":"7469165.945","U251_Control_3_NEG":"5754042.877","U251_Control_4_NEG":"7192064.58","U251_Pimozide_1_NEG":"4362431.048","U251_Pimozide_2_NEG":"25766405.58","U251_Pimozide_3_NEG":"5476385.307","U251_Pimozide_4_NEG":"13840133"},{"Metabolite":"4-Methyl-2-oxovaleric acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"179005.4723","U251_Control_3_NEG":"39074.08664","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"483665.5867","U251_Pimozide_3_NEG":"176261.1686","U251_Pimozide_4_NEG":"0"},{"Metabolite":"6-Oxohexanoic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"18902.97889","U251_Control_3_NEG":"0","U251_Control_4_NEG":"54472.11631","U251_Pimozide_1_NEG":"470836.7401","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"331227.648","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Adipic acid(None)","U251_Control_1_NEG":"6937311.919","U251_Control_2_NEG":"8489938.433","U251_Control_3_NEG":"7056555.899","U251_Control_4_NEG":"7429595.925","U251_Pimozide_1_NEG":"6677072.058","U251_Pimozide_2_NEG":"4272574.199","U251_Pimozide_3_NEG":"6056879.357","U251_Pimozide_4_NEG":"7635866.445"},{"Metabolite":"Adipic acid(13C_1)","U251_Control_1_NEG":"3202.038585","U251_Control_2_NEG":"100549.1527","U251_Control_3_NEG":"56960.75993","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"140244.2321","U251_Pimozide_2_NEG":"152290.0148","U251_Pimozide_3_NEG":"146855.9237","U251_Pimozide_4_NEG":"113597.6249"},{"Metabolite":"Diethylpyrocarbonate(None)","U251_Control_1_NEG":"760730.5329","U251_Control_2_NEG":"770762.7418","U251_Control_3_NEG":"615572.2756","U251_Control_4_NEG":"1098618.434","U251_Pimozide_1_NEG":"801815.9647","U251_Pimozide_2_NEG":"1085895.383","U251_Pimozide_3_NEG":"735079.587","U251_Pimozide_4_NEG":"589151.0782"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(None)","U251_Control_1_NEG":"20732825.74","U251_Control_2_NEG":"24160664.14","U251_Control_3_NEG":"14039389.26","U251_Control_4_NEG":"23429218.14","U251_Pimozide_1_NEG":"27952871.11","U251_Pimozide_2_NEG":"39562426.25","U251_Pimozide_3_NEG":"33863913.41","U251_Pimozide_4_NEG":"34382624.23"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"15508.90682","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(13C_2)","U251_Control_1_NEG":"312340.0703","U251_Control_2_NEG":"350983.7915","U251_Control_3_NEG":"369149.1475","U251_Control_4_NEG":"472380.7181","U251_Pimozide_1_NEG":"685368.6549","U251_Pimozide_2_NEG":"638741.1877","U251_Pimozide_3_NEG":"695321.4649","U251_Pimozide_4_NEG":"705673.112"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(13C_4)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"103212.835","U251_Pimozide_2_NEG":"81370.66021","U251_Pimozide_3_NEG":"50079.82196","U251_Pimozide_4_NEG":"85110.83982"},{"Metabolite":"fMet(None)","U251_Control_1_NEG":"1985200.683","U251_Control_2_NEG":"2178757.107","U251_Control_3_NEG":"1162127.747","U251_Control_4_NEG":"1707416.257","U251_Pimozide_1_NEG":"2162349.385","U251_Pimozide_2_NEG":"2949051.789","U251_Pimozide_3_NEG":"2170862.788","U251_Pimozide_4_NEG":"2692091.535"},{"Metabolite":"L-alpha-Aminoadipic acid(None)","U251_Control_1_NEG":"154875315.7","U251_Control_2_NEG":"120916577.7","U251_Control_3_NEG":"76099965.32","U251_Control_4_NEG":"91121631.62","U251_Pimozide_1_NEG":"61376602.47","U251_Pimozide_2_NEG":"97543150.85","U251_Pimozide_3_NEG":"68165638.3","U251_Pimozide_4_NEG":"52727212.45"},{"Metabolite":"L-alpha-Aminoadipic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"976442.6467","U251_Control_4_NEG":"907008.2093","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"2239052.404"},{"Metabolite":"Hexanoic acid(None)","U251_Control_1_NEG":"6220661.722","U251_Control_2_NEG":"2181936.992","U251_Control_3_NEG":"1752299.925","U251_Control_4_NEG":"3579655.086","U251_Pimozide_1_NEG":"2032190.096","U251_Pimozide_2_NEG":"1994044.47","U251_Pimozide_3_NEG":"2820986.201","U251_Pimozide_4_NEG":"3745990.299"},{"Metabolite":"Hexanoic acid(13C_1)","U251_Control_1_NEG":"140822.1001","U251_Control_2_NEG":"0","U251_Control_3_NEG":"4845.612176","U251_Control_4_NEG":"6531.154651","U251_Pimozide_1_NEG":"8988.228661","U251_Pimozide_2_NEG":"63554.76862","U251_Pimozide_3_NEG":"22425.61483","U251_Pimozide_4_NEG":"0"},{"Metabolite":"6-Hydroxycaproic acid(None)","U251_Control_1_NEG":"168513.9446","U251_Control_2_NEG":"0","U251_Control_3_NEG":"245442.4746","U251_Control_4_NEG":"390501.7207","U251_Pimozide_1_NEG":"591782.6325","U251_Pimozide_2_NEG":"1908252.788","U251_Pimozide_3_NEG":"210211.8571","U251_Pimozide_4_NEG":"1813431.743"},{"Metabolite":"Fructose(None)","U251_Control_1_NEG":"719481.1758","U251_Control_2_NEG":"945249.1016","U251_Control_3_NEG":"296254.7831","U251_Control_4_NEG":"611612.4873","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"1527062.36","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Glucose(None)","U251_Control_1_NEG":"3030335.669","U251_Control_2_NEG":"3758588.181","U251_Control_3_NEG":"3711436.854","U251_Control_4_NEG":"5747365.6","U251_Pimozide_1_NEG":"7995386.998","U251_Pimozide_2_NEG":"4604357.42","U251_Pimozide_3_NEG":"7224746.951","U251_Pimozide_4_NEG":"7936011.399"},{"Metabolite":"D-(-)-Fructose*,*Hexose(None)","U251_Control_1_NEG":"25934487.63","U251_Control_2_NEG":"22318311.53","U251_Control_3_NEG":"24071522.19","U251_Control_4_NEG":"28757168.41","U251_Pimozide_1_NEG":"28365550.24","U251_Pimozide_2_NEG":"27358979.99","U251_Pimozide_3_NEG":"24429122.31","U251_Pimozide_4_NEG":"22813249.7"},{"Metabolite":"D-(-)-Fructose*,*Hexose(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"77251.53897","U251_Control_4_NEG":"360529.8564","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"75520.31858","U251_Pimozide_4_NEG":"27760.43358"},{"Metabolite":"Gluconic acid(None)","U251_Control_1_NEG":"98821226.3","U251_Control_2_NEG":"66534008.31","U251_Control_3_NEG":"58082253.45","U251_Control_4_NEG":"37276892.62","U251_Pimozide_1_NEG":"50965699.27","U251_Pimozide_2_NEG":"64486053.93","U251_Pimozide_3_NEG":"97483601.81","U251_Pimozide_4_NEG":"93767135.48"},{"Metabolite":"Citrulline(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"244411.5501","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"1039387.196","U251_Pimozide_3_NEG":"1084518.984","U251_Pimozide_4_NEG":"1332786.239"},{"Metabolite":"6-Phosphogluconate(6PG)(None)","U251_Control_1_NEG":"31487868.36","U251_Control_2_NEG":"32559391.16","U251_Control_3_NEG":"33301668.62","U251_Control_4_NEG":"35048869.82","U251_Pimozide_1_NEG":"31130381.6","U251_Pimozide_2_NEG":"30819629.04","U251_Pimozide_3_NEG":"46769195.95","U251_Pimozide_4_NEG":"41607859.14"},{"Metabolite":"6-Phosphogluconate(6PG)(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"40115.89153","U251_Control_3_NEG":"45207.70885","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"154625.8948","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"346271.3752"},{"Metabolite":"D-Glucose-6-Phosphate(G6P)(None)","U251_Control_1_NEG":"1058564.269","U251_Control_2_NEG":"849218.1599","U251_Control_3_NEG":"899609.4306","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"2353396.099","U251_Pimozide_2_NEG":"3851639.429","U251_Pimozide_3_NEG":"1495685.409","U251_Pimozide_4_NEG":"1730781.136"},{"Metabolite":"D-Fructose-6-Phosphate(F6P)(None)","U251_Control_1_NEG":"1790206.929","U251_Control_2_NEG":"2235458.022","U251_Control_3_NEG":"1739021.636","U251_Control_4_NEG":"2246777.201","U251_Pimozide_1_NEG":"2634030.594","U251_Pimozide_2_NEG":"2657801.5","U251_Pimozide_3_NEG":"3162910.808","U251_Pimozide_4_NEG":"3128361.25"},{"Metabolite":"D-fructose-1,6-bisphosphate (F1, 6BP)(None)","U251_Control_1_NEG":"20077789.75","U251_Control_2_NEG":"22204771.68","U251_Control_3_NEG":"10709792.74","U251_Control_4_NEG":"26122768.09","U251_Pimozide_1_NEG":"28531800.93","U251_Pimozide_2_NEG":"37689365.79","U251_Pimozide_3_NEG":"25517179.71","U251_Pimozide_4_NEG":"28923168.93"},{"Metabolite":"D-fructose-1,6-bisphosphate (F1, 6BP)(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"421969.6922","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"760894.1032","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Sorbitol(None)","U251_Control_1_NEG":"689697.0539","U251_Control_2_NEG":"815516.9882","U251_Control_3_NEG":"812347.2255","U251_Control_4_NEG":"1216566.408","U251_Pimozide_1_NEG":"1335561.572","U251_Pimozide_2_NEG":"1193202.458","U251_Pimozide_3_NEG":"1084088.135","U251_Pimozide_4_NEG":"855308.1117"},{"Metabolite":"Glycerophosphoglycerol(None)","U251_Control_1_NEG":"21753169.52","U251_Control_2_NEG":"12146441.21","U251_Control_3_NEG":"16987829.1","U251_Control_4_NEG":"12188211.34","U251_Pimozide_1_NEG":"16534759.54","U251_Pimozide_2_NEG":"20610292.54","U251_Pimozide_3_NEG":"26233149.52","U251_Pimozide_4_NEG":"31951316.42"},{"Metabolite":"2,4-Dinitrophenol(None)","U251_Control_1_NEG":"815607.346","U251_Control_2_NEG":"1521125.201","U251_Control_3_NEG":"1738623.652","U251_Control_4_NEG":"1283438.319","U251_Pimozide_1_NEG":"906623.8392","U251_Pimozide_2_NEG":"1923305.349","U251_Pimozide_3_NEG":"1599798.669","U251_Pimozide_4_NEG":"1580021.246"},{"Metabolite":"3-Hydroxypicolinic acid(None)","U251_Control_1_NEG":"3191230.423","U251_Control_2_NEG":"2932631.791","U251_Control_3_NEG":"3014676.962","U251_Control_4_NEG":"6544415.486","U251_Pimozide_1_NEG":"1907729.93","U251_Pimozide_2_NEG":"2771327.242","U251_Pimozide_3_NEG":"3331402.695","U251_Pimozide_4_NEG":"1832924.551"},{"Metabolite":"3-Hydroxypicolinic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"65469.58588","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"63667.65649"},{"Metabolite":"4-nitrocatechol(None)","U251_Control_1_NEG":"758727.1888","U251_Control_2_NEG":"872385.2289","U251_Control_3_NEG":"2840211.439","U251_Control_4_NEG":"856665.4204","U251_Pimozide_1_NEG":"790840.0991","U251_Pimozide_2_NEG":"1540063.038","U251_Pimozide_3_NEG":"1688238.35","U251_Pimozide_4_NEG":"1000426.515"},{"Metabolite":"Benzenol(None)","U251_Control_1_NEG":"625568.8719","U251_Control_2_NEG":"974402.1831","U251_Control_3_NEG":"687265.0546","U251_Control_4_NEG":"600666.8798","U251_Pimozide_1_NEG":"1092311.636","U251_Pimozide_2_NEG":"1496184.98","U251_Pimozide_3_NEG":"1037338.006","U251_Pimozide_4_NEG":"843874.9496"},{"Metabolite":"cis-Aconitate(None)","U251_Control_1_NEG":"28269215.39","U251_Control_2_NEG":"22114212.57","U251_Control_3_NEG":"19697165.18","U251_Control_4_NEG":"16942451.57","U251_Pimozide_1_NEG":"17624277.29","U251_Pimozide_2_NEG":"12777852.51","U251_Pimozide_3_NEG":"12461912.97","U251_Pimozide_4_NEG":"17501606.55"},{"Metabolite":"cis-Aconitate(13C_1)","U251_Control_1_NEG":"110042.136","U251_Control_2_NEG":"621941.5643","U251_Control_3_NEG":"434492.6139","U251_Control_4_NEG":"254446.514","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"591115.3379","U251_Pimozide_3_NEG":"298052.2007","U251_Pimozide_4_NEG":"970905.1252"},{"Metabolite":"cis-Aconitate(13C_2)","U251_Control_1_NEG":"3258250.689","U251_Control_2_NEG":"1721203.24","U251_Control_3_NEG":"1425620.237","U251_Control_4_NEG":"1916123.484","U251_Pimozide_1_NEG":"1799907.276","U251_Pimozide_2_NEG":"1439578.762","U251_Pimozide_3_NEG":"1549358.98","U251_Pimozide_4_NEG":"3003298.39"},{"Metabolite":"cis-Aconitate(13C_3)","U251_Control_1_NEG":"2018352.477","U251_Control_2_NEG":"1928104.961","U251_Control_3_NEG":"1070420.276","U251_Control_4_NEG":"2088730.955","U251_Pimozide_1_NEG":"3828526.538","U251_Pimozide_2_NEG":"3811132.477","U251_Pimozide_3_NEG":"2680015.225","U251_Pimozide_4_NEG":"3637904.644"},{"Metabolite":"cis-Aconitate(13C_4)","U251_Control_1_NEG":"14629017.19","U251_Control_2_NEG":"9895413.302","U251_Control_3_NEG":"6829873.432","U251_Control_4_NEG":"10455791.66","U251_Pimozide_1_NEG":"10490401.68","U251_Pimozide_2_NEG":"13216940.83","U251_Pimozide_3_NEG":"10814208.24","U251_Pimozide_4_NEG":"12823561.48"},{"Metabolite":"cis-Aconitate(13C_5)","U251_Control_1_NEG":"1956367.299","U251_Control_2_NEG":"1759530.52","U251_Control_3_NEG":"1289779.2","U251_Control_4_NEG":"1822513.767","U251_Pimozide_1_NEG":"5782205.286","U251_Pimozide_2_NEG":"3609668.028","U251_Pimozide_3_NEG":"3497265.529","U251_Pimozide_4_NEG":"4845100.683"},{"Metabolite":"Glucuronolactone*,*Vitamin C(None)","U251_Control_1_NEG":"631835.8247","U251_Control_2_NEG":"3794310.38","U251_Control_3_NEG":"0","U251_Control_4_NEG":"1552412.209","U251_Pimozide_1_NEG":"3742368.501","U251_Pimozide_2_NEG":"5132692.434","U251_Pimozide_3_NEG":"1311695.645","U251_Pimozide_4_NEG":"8632874.228"},{"Metabolite":"Glucuronolactone*,*Vitamin C(13C_1)","U251_Control_1_NEG":"15336.16337","U251_Control_2_NEG":"15955.32026","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Citrate(None)","U251_Control_1_NEG":"547514628.4","U251_Control_2_NEG":"173280766.8","U251_Control_3_NEG":"336102975","U251_Control_4_NEG":"130354482.9","U251_Pimozide_1_NEG":"294202110.5","U251_Pimozide_2_NEG":"298291991.6","U251_Pimozide_3_NEG":"445433588","U251_Pimozide_4_NEG":"594465509.4"},{"Metabolite":"Isocitrate(None)","U251_Control_1_NEG":"10204483.37","U251_Control_2_NEG":"306623425.4","U251_Control_3_NEG":"251623987.2","U251_Control_4_NEG":"69260047.53","U251_Pimozide_1_NEG":"235081072.4","U251_Pimozide_2_NEG":"206583518.9","U251_Pimozide_3_NEG":"237837141.2","U251_Pimozide_4_NEG":"492793696.5"},{"Metabolite":"Citrate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"29872268.43","U251_Control_3_NEG":"41220588.87","U251_Control_4_NEG":"8071198.415","U251_Pimozide_1_NEG":"2536589.587","U251_Pimozide_2_NEG":"3184077.281","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"8262259.673"},{"Metabolite":"Isocitrate(13C_1)","U251_Control_1_NEG":"3096070.321","U251_Control_2_NEG":"5129404.964","U251_Control_3_NEG":"3360757.83","U251_Control_4_NEG":"17111041.47","U251_Pimozide_1_NEG":"1517741.007","U251_Pimozide_2_NEG":"2374801.723","U251_Pimozide_3_NEG":"540155.9128","U251_Pimozide_4_NEG":"6298035.937"},{"Metabolite":"Citrate(13C_2)","U251_Control_1_NEG":"53713672.74","U251_Control_2_NEG":"12505540.25","U251_Control_3_NEG":"49895584.41","U251_Control_4_NEG":"20605490.78","U251_Pimozide_1_NEG":"28505441.44","U251_Pimozide_2_NEG":"32441042.88","U251_Pimozide_3_NEG":"58565458.45","U251_Pimozide_4_NEG":"72628863.98"},{"Metabolite":"Isocitrate(13C_2)","U251_Control_1_NEG":"35230801.83","U251_Control_2_NEG":"34531723.4","U251_Control_3_NEG":"25538355.8","U251_Control_4_NEG":"28636715.74","U251_Pimozide_1_NEG":"13145771.6","U251_Pimozide_2_NEG":"18958006.89","U251_Pimozide_3_NEG":"30434385.03","U251_Pimozide_4_NEG":"58324471.38"},{"Metabolite":"Citrate(13C_3)","U251_Control_1_NEG":"18444569.44","U251_Control_2_NEG":"17298441.76","U251_Control_3_NEG":"18815868.15","U251_Control_4_NEG":"23196647.91","U251_Pimozide_1_NEG":"41261026.49","U251_Pimozide_2_NEG":"61454252.3","U251_Pimozide_3_NEG":"87870711.89","U251_Pimozide_4_NEG":"111101089.1"},{"Metabolite":"Isocitrate(13C_3)","U251_Control_1_NEG":"21176948.76","U251_Control_2_NEG":"31439006.6","U251_Control_3_NEG":"13411965.86","U251_Control_4_NEG":"21570430.24","U251_Pimozide_1_NEG":"48885980.37","U251_Pimozide_2_NEG":"36944265.32","U251_Pimozide_3_NEG":"43008485.41","U251_Pimozide_4_NEG":"89326780.59"},{"Metabolite":"Isocitrate(13C_4)","U251_Control_1_NEG":"144251719.3","U251_Control_2_NEG":"172799380.5","U251_Control_3_NEG":"122276159.8","U251_Control_4_NEG":"153592916.9","U251_Pimozide_1_NEG":"152453646.2","U251_Pimozide_2_NEG":"123780503.4","U251_Pimozide_3_NEG":"174266238.5","U251_Pimozide_4_NEG":"322420968.7"},{"Metabolite":"Citrate(13C_4)","U251_Control_1_NEG":"119096309.6","U251_Control_2_NEG":"89022302.04","U251_Control_3_NEG":"137539452","U251_Control_4_NEG":"58103214.85","U251_Pimozide_1_NEG":"140405239.3","U251_Pimozide_2_NEG":"211653354.9","U251_Pimozide_3_NEG":"354960583.2","U251_Pimozide_4_NEG":"416328364.5"},{"Metabolite":"Citrate(13C_5)","U251_Control_1_NEG":"38309120.61","U251_Control_2_NEG":"10566847.51","U251_Control_3_NEG":"7872753.885","U251_Control_4_NEG":"21169347.12","U251_Pimozide_1_NEG":"52562722.62","U251_Pimozide_2_NEG":"72968476.75","U251_Pimozide_3_NEG":"35021624.87","U251_Pimozide_4_NEG":"136122219.3"},{"Metabolite":"Isocitrate(13C_5)","U251_Control_1_NEG":"19637750.14","U251_Control_2_NEG":"30217222.54","U251_Control_3_NEG":"16248121.98","U251_Control_4_NEG":"9530635.179","U251_Pimozide_1_NEG":"65876134.75","U251_Pimozide_2_NEG":"50676361.28","U251_Pimozide_3_NEG":"44103287.01","U251_Pimozide_4_NEG":"108077609.5"},{"Metabolite":"2-(2-oxomorpholino)acetic acid(None)","U251_Control_1_NEG":"7350161.497","U251_Control_2_NEG":"6555149.868","U251_Control_3_NEG":"6188164.457","U251_Control_4_NEG":"7063401.845","U251_Pimozide_1_NEG":"6747374.747","U251_Pimozide_2_NEG":"8008077.038","U251_Pimozide_3_NEG":"8151852.21","U251_Pimozide_4_NEG":"9735517.276"},{"Metabolite":"N-Acetylaspartic acid(None)","U251_Control_1_NEG":"75959449.14","U251_Control_2_NEG":"50371136.91","U251_Control_3_NEG":"35473950.76","U251_Control_4_NEG":"29128278.91","U251_Pimozide_1_NEG":"78696085.2","U251_Pimozide_2_NEG":"85591778.26","U251_Pimozide_3_NEG":"65046347.7","U251_Pimozide_4_NEG":"105589761.8"},{"Metabolite":"N-Acetylaspartic acid(13C_3)","U251_Control_1_NEG":"72694.24561","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"41837.7452","U251_Pimozide_1_NEG":"683047.8826","U251_Pimozide_2_NEG":"589257.5113","U251_Pimozide_3_NEG":"416787.4812","U251_Pimozide_4_NEG":"594103.2285"},{"Metabolite":"N-Acetylaspartic acid(13C_4)","U251_Control_1_NEG":"969265.8991","U251_Control_2_NEG":"684052.6252","U251_Control_3_NEG":"379584.8343","U251_Control_4_NEG":"411040.3214","U251_Pimozide_1_NEG":"1460437.162","U251_Pimozide_2_NEG":"1710682.005","U251_Pimozide_3_NEG":"1439812.689","U251_Pimozide_4_NEG":"2799033.066"},{"Metabolite":"Histidine(None)","U251_Control_1_NEG":"105022766.8","U251_Control_2_NEG":"87838340.39","U251_Control_3_NEG":"89267310.36","U251_Control_4_NEG":"106671274.4","U251_Pimozide_1_NEG":"143856937.1","U251_Pimozide_2_NEG":"156384512.4","U251_Pimozide_3_NEG":"138160564.3","U251_Pimozide_4_NEG":"123992004"},{"Metabolite":"N-Acetyl-L-glutamic acid(None)","U251_Control_1_NEG":"34569966.88","U251_Control_2_NEG":"31961610.76","U251_Control_3_NEG":"22342366.45","U251_Control_4_NEG":"23962340.87","U251_Pimozide_1_NEG":"42737966.61","U251_Pimozide_2_NEG":"44101747.44","U251_Pimozide_3_NEG":"35258509.39","U251_Pimozide_4_NEG":"43026135.39"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_1)","U251_Control_1_NEG":"30749.56666","U251_Control_2_NEG":"0","U251_Control_3_NEG":"305252.0825","U251_Control_4_NEG":"317301.4989","U251_Pimozide_1_NEG":"77085.03821","U251_Pimozide_2_NEG":"100670.8321","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"439719.2837"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"6914.791437","U251_Pimozide_4_NEG":"0"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_5)","U251_Control_1_NEG":"597032.3575","U251_Control_2_NEG":"593597.1527","U251_Control_3_NEG":"432384.9502","U251_Control_4_NEG":"625060.8348","U251_Pimozide_1_NEG":"1613204.363","U251_Pimozide_2_NEG":"1616068.89","U251_Pimozide_3_NEG":"629130.2673","U251_Pimozide_4_NEG":"1698507.183"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_7)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"221757.3172","U251_Pimozide_2_NEG":"175795.9876","U251_Pimozide_3_NEG":"140117.0463","U251_Pimozide_4_NEG":"174387.376"},{"Metabolite":"2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(None)","U251_Control_1_NEG":"9124654.126","U251_Control_2_NEG":"8380146.978","U251_Control_3_NEG":"7774715.027","U251_Control_4_NEG":"9755075.809","U251_Pimozide_1_NEG":"10678295.43","U251_Pimozide_2_NEG":"7016114.616","U251_Pimozide_3_NEG":"11294918.85","U251_Pimozide_4_NEG":"11777094.92"},{"Metabolite":"2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"26330.8952","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"41389.07354"},{"Metabolite":"2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_4)","U251_Control_1_NEG":"491086.0359","U251_Control_2_NEG":"415076.1122","U251_Control_3_NEG":"25443.34459","U251_Control_4_NEG":"445206.3557","U251_Pimozide_1_NEG":"483936.1972","U251_Pimozide_2_NEG":"562342.6937","U251_Pimozide_3_NEG":"571685.117","U251_Pimozide_4_NEG":"755548.8387"},{"Metabolite":"Asp-Ala(None)","U251_Control_1_NEG":"13174673.63","U251_Control_2_NEG":"12239940.37","U251_Control_3_NEG":"8300117.206","U251_Control_4_NEG":"10432450.85","U251_Pimozide_1_NEG":"14767179.36","U251_Pimozide_2_NEG":"14329812.04","U251_Pimozide_3_NEG":"15249472.59","U251_Pimozide_4_NEG":"13035616.48"},{"Metabolite":"D-gamma-Glu-Gly(None)","U251_Control_1_NEG":"9391490.365","U251_Control_2_NEG":"10604726.33","U251_Control_3_NEG":"6828850.373","U251_Control_4_NEG":"10804018.56","U251_Pimozide_1_NEG":"8857448.355","U251_Pimozide_2_NEG":"10770890.62","U251_Pimozide_3_NEG":"13369765.19","U251_Pimozide_4_NEG":"7810325.753"},{"Metabolite":"D-gamma-Glu-Gly(13C_2)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"387718.5016","U251_Pimozide_2_NEG":"145850.677","U251_Pimozide_3_NEG":"303961.9141","U251_Pimozide_4_NEG":"124797.2483"},{"Metabolite":"Asp-Ala(13C_5)","U251_Control_1_NEG":"1048364.562","U251_Control_2_NEG":"1033970.96","U251_Control_3_NEG":"810741.0942","U251_Control_4_NEG":"1112805.727","U251_Pimozide_1_NEG":"1812029.457","U251_Pimozide_2_NEG":"1263224.309","U251_Pimozide_3_NEG":"1977579.028","U251_Pimozide_4_NEG":"1214603.655"},{"Metabolite":"3-Methyladipic acid(None)","U251_Control_1_NEG":"2336270.231","U251_Control_2_NEG":"2871655.697","U251_Control_3_NEG":"2361748.382","U251_Control_4_NEG":"3121771.263","U251_Pimozide_1_NEG":"3669634.809","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"2585001.39","U251_Pimozide_4_NEG":"3729166.988"},{"Metabolite":"2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(None)","U251_Control_1_NEG":"9556502.048","U251_Control_2_NEG":"10108626.45","U251_Control_3_NEG":"8202323.359","U251_Control_4_NEG":"11288747.32","U251_Pimozide_1_NEG":"10435082.01","U251_Pimozide_2_NEG":"15509623.72","U251_Pimozide_3_NEG":"13310260.33","U251_Pimozide_4_NEG":"10522505.62"},{"Metabolite":"2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(13C_2)","U251_Control_1_NEG":"173704.5766","U251_Control_2_NEG":"204544.7269","U251_Control_3_NEG":"122866.0659","U251_Control_4_NEG":"244504.4921","U251_Pimozide_1_NEG":"491476.4121","U251_Pimozide_2_NEG":"600186.7152","U251_Pimozide_3_NEG":"357028.4988","U251_Pimozide_4_NEG":"413691.0815"},{"Metabolite":"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(None)","U251_Control_1_NEG":"2670168.002","U251_Control_2_NEG":"1590887.849","U251_Control_3_NEG":"6839674.422","U251_Control_4_NEG":"5480368.524","U251_Pimozide_1_NEG":"5521605.081","U251_Pimozide_2_NEG":"8791355.706","U251_Pimozide_3_NEG":"4533573.597","U251_Pimozide_4_NEG":"10266240.65"},{"Metabolite":"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(13C_1)","U251_Control_1_NEG":"77996.07943","U251_Control_2_NEG":"180248.4227","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"49574.99435","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"3-Hydroxyheptanoic acid(None)","U251_Control_1_NEG":"1346512.026","U251_Control_2_NEG":"1448320.346","U251_Control_3_NEG":"1594323.719","U251_Control_4_NEG":"1925099.006","U251_Pimozide_1_NEG":"2053101.854","U251_Pimozide_2_NEG":"3534346.348","U251_Pimozide_3_NEG":"1537651.762","U251_Pimozide_4_NEG":"4703046.012"},{"Metabolite":"3-Hydroxyheptanoic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"36365.41008","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"33923.52274","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2,3,4,5,6,7-Hexahydroxyheptanoic acid(None)","U251_Control_1_NEG":"72979375.4","U251_Control_2_NEG":"74669467","U251_Control_3_NEG":"66485325.64","U251_Control_4_NEG":"92166419.69","U251_Pimozide_1_NEG":"82252219.78","U251_Pimozide_2_NEG":"79332345.32","U251_Pimozide_3_NEG":"98970010.88","U251_Pimozide_4_NEG":"76261317.7"},{"Metabolite":"2,3,4,5,6,7-Hexahydroxyheptanoic acid(13C_1)","U251_Control_1_NEG":"881067.8496","U251_Control_2_NEG":"965958.7698","U251_Control_3_NEG":"810624.3196","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"752017.3191","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"1-Deoxy-1-(methylamino)hexitol(None)","U251_Control_1_NEG":"4850694.88","U251_Control_2_NEG":"3232902.644","U251_Control_3_NEG":"6672028.119","U251_Control_4_NEG":"4272112.253","U251_Pimozide_1_NEG":"5179820.192","U251_Pimozide_2_NEG":"8264103.282","U251_Pimozide_3_NEG":"11211712.88","U251_Pimozide_4_NEG":"6557672.359"},{"Metabolite":"2,6-Dichloro-4-(trifluoromethyl)aniline(None)","U251_Control_1_NEG":"667356.8158","U251_Control_2_NEG":"675416.5486","U251_Control_3_NEG":"755766.2927","U251_Control_4_NEG":"745855.5424","U251_Pimozide_1_NEG":"565184.3604","U251_Pimozide_2_NEG":"743660.0997","U251_Pimozide_3_NEG":"662588.5159","U251_Pimozide_4_NEG":"866338.3197"},{"Metabolite":"2,6-Dichloro-4-(trifluoromethyl)aniline(13C_5)","U251_Control_1_NEG":"1349392.318","U251_Control_2_NEG":"1681223.321","U251_Control_3_NEG":"1840552.604","U251_Control_4_NEG":"1923717.116","U251_Pimozide_1_NEG":"1880716.254","U251_Pimozide_2_NEG":"2725025.443","U251_Pimozide_3_NEG":"2318378.495","U251_Pimozide_4_NEG":"2737381.651"},{"Metabolite":"Quinolinic Acid(None)","U251_Control_1_NEG":"2281391.901","U251_Control_2_NEG":"1871907.139","U251_Control_3_NEG":"2285755.141","U251_Control_4_NEG":"1961833.428","U251_Pimozide_1_NEG":"2057889.028","U251_Pimozide_2_NEG":"3314414.948","U251_Pimozide_3_NEG":"3320251.825","U251_Pimozide_4_NEG":"2919044.251"},{"Metabolite":"Quinolinic Acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"5530.417108","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"5-Hydroxy-2-nitrobenzoic acid(None)","U251_Control_1_NEG":"4173041.393","U251_Control_2_NEG":"4196941.395","U251_Control_3_NEG":"6495906.332","U251_Control_4_NEG":"3594650.139","U251_Pimozide_1_NEG":"3835530.881","U251_Pimozide_2_NEG":"7134797.55","U251_Pimozide_3_NEG":"7204314.67","U251_Pimozide_4_NEG":"6547856.188"},{"Metabolite":"Dinitro-ortho-cresol(None)","U251_Control_1_NEG":"604720.1609","U251_Control_2_NEG":"199242.1663","U251_Control_3_NEG":"83679.93848","U251_Control_4_NEG":"467148.2751","U251_Pimozide_1_NEG":"580870.7131","U251_Pimozide_2_NEG":"595571.3402","U251_Pimozide_3_NEG":"630206.7031","U251_Pimozide_4_NEG":"521436.7438"},{"Metabolite":"4-Hydroxybenzaldehyde(None)","U251_Control_1_NEG":"7342094.928","U251_Control_2_NEG":"15017258.49","U251_Control_3_NEG":"9443932.787","U251_Control_4_NEG":"14291026.22","U251_Pimozide_1_NEG":"7822368.674","U251_Pimozide_2_NEG":"5484053.356","U251_Pimozide_3_NEG":"13182306.59","U251_Pimozide_4_NEG":"7330219.833"},{"Metabolite":"4-Hydroxybenzaldehyde(13C_1)","U251_Control_1_NEG":"298679.8476","U251_Control_2_NEG":"162079.771","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"872718.4561","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Salicylic acid(None)","U251_Control_1_NEG":"6927838.372","U251_Control_2_NEG":"6690018.534","U251_Control_3_NEG":"7766916.307","U251_Control_4_NEG":"6767843.378","U251_Pimozide_1_NEG":"7371045.742","U251_Pimozide_2_NEG":"10151464.13","U251_Pimozide_3_NEG":"9754357.788","U251_Pimozide_4_NEG":"9167481.349"},{"Metabolite":"Salicylic acid(13C_1)","U251_Control_1_NEG":"155013.1006","U251_Control_2_NEG":"0","U251_Control_3_NEG":"9016.783942","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"211579.375","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"3-Hydroxyanthranilic acid(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"1499716.588","U251_Control_3_NEG":"798432.8532","U251_Control_4_NEG":"1014665.689","U251_Pimozide_1_NEG":"1270386.753","U251_Pimozide_2_NEG":"1459400.859","U251_Pimozide_3_NEG":"1181229.909","U251_Pimozide_4_NEG":"1872535.413"},{"Metabolite":"3-Hydroxyanthranilic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"4300.793306","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"1-Oxo-1,2,4-butanetricarboxylic acid(None)","U251_Control_1_NEG":"863925.1325","U251_Control_2_NEG":"606444.3346","U251_Control_3_NEG":"594364.4396","U251_Control_4_NEG":"111532.2701","U251_Pimozide_1_NEG":"191615.4721","U251_Pimozide_2_NEG":"355009.8464","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"265216.3517"},{"Metabolite":"1-Oxo-1,2,4-butanetricarboxylic acid(13C_4)","U251_Control_1_NEG":"244600.1908","U251_Control_2_NEG":"184310.7816","U251_Control_3_NEG":"66047.65015","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"252426.5192"},{"Metabolite":"1-Oxo-1,2,4-butanetricarboxylic acid(13C_5)","U251_Control_1_NEG":"20716085.95","U251_Control_2_NEG":"26635733.69","U251_Control_3_NEG":"25288638.17","U251_Control_4_NEG":"12039051.37","U251_Pimozide_1_NEG":"30420277.35","U251_Pimozide_2_NEG":"36320154.43","U251_Pimozide_3_NEG":"30037351.55","U251_Pimozide_4_NEG":"31302667.83"},{"Metabolite":"2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(None)","U251_Control_1_NEG":"417649.2972","U251_Control_2_NEG":"86945.32183","U251_Control_3_NEG":"0","U251_Control_4_NEG":"227611.4044","U251_Pimozide_1_NEG":"271977.3437","U251_Pimozide_2_NEG":"273314.5897","U251_Pimozide_3_NEG":"169776.4914","U251_Pimozide_4_NEG":"260484.6186"},{"Metabolite":"2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"14701.69639","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"23510.45707","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_5)","U251_Control_1_NEG":"439606.5918","U251_Control_2_NEG":"137005.6832","U251_Control_3_NEG":"0","U251_Control_4_NEG":"588249.1002","U251_Pimozide_1_NEG":"637430.0552","U251_Pimozide_2_NEG":"1417393.799","U251_Pimozide_3_NEG":"418079.0438","U251_Pimozide_4_NEG":"622532.4863"},{"Metabolite":"2-Acetamido-2-deoxy-D-gluconolactone(None)","U251_Control_1_NEG":"59841484.82","U251_Control_2_NEG":"63888756.63","U251_Control_3_NEG":"69123602.11","U251_Control_4_NEG":"97793376.18","U251_Pimozide_1_NEG":"53295630.74","U251_Pimozide_2_NEG":"44894433.64","U251_Pimozide_3_NEG":"46061162.74","U251_Pimozide_4_NEG":"24375139.91"},{"Metabolite":"2-Acetamido-2-deoxy-D-gluconolactone(13C_1)","U251_Control_1_NEG":"1038257.612","U251_Control_2_NEG":"29493.55054","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"176385.5814","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"2-Acetamido-2-deoxy-D-gluconolactone(13C_5)","U251_Control_1_NEG":"72415.23508","U251_Control_2_NEG":"250394.1032","U251_Control_3_NEG":"170236.1045","U251_Control_4_NEG":"198986.3562","U251_Pimozide_1_NEG":"113592.1693","U251_Pimozide_2_NEG":"209609.7702","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Suberic acid(None)","U251_Control_1_NEG":"6641540.426","U251_Control_2_NEG":"6078010.34","U251_Control_3_NEG":"5526677.478","U251_Control_4_NEG":"4368866.402","U251_Pimozide_1_NEG":"5681816.632","U251_Pimozide_2_NEG":"5364954.272","U251_Pimozide_3_NEG":"6206288.296","U251_Pimozide_4_NEG":"5048194.438"},{"Metabolite":"Suberic acid(13C_1)","U251_Control_1_NEG":"420356.9901","U251_Control_2_NEG":"0","U251_Control_3_NEG":"76249.95336","U251_Control_4_NEG":"457806.465","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"312279.6061","U251_Pimozide_3_NEG":"252037.1189","U251_Pimozide_4_NEG":"189188.2889"},{"Metabolite":"(2E)-4,5,7-Trihydroxy-2-octenoic acid(None)","U251_Control_1_NEG":"423655.5096","U251_Control_2_NEG":"211438.7178","U251_Control_3_NEG":"237443.4549","U251_Control_4_NEG":"327856.9669","U251_Pimozide_1_NEG":"659369.4989","U251_Pimozide_2_NEG":"1115466.565","U251_Pimozide_3_NEG":"424682.8026","U251_Pimozide_4_NEG":"1460220.749"},{"Metabolite":"3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(None)","U251_Control_1_NEG":"1106015.454","U251_Control_2_NEG":"588806.5876","U251_Control_3_NEG":"801971.1181","U251_Control_4_NEG":"623032.6602","U251_Pimozide_1_NEG":"1763010.745","U251_Pimozide_2_NEG":"1565455.329","U251_Pimozide_3_NEG":"900247.7575","U251_Pimozide_4_NEG":"2454996.875"},{"Metabolite":"3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"14497.85255","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"52475.25736","U251_Pimozide_2_NEG":"51770.32788","U251_Pimozide_3_NEG":"10054.90507","U251_Pimozide_4_NEG":"56031.57304"},{"Metabolite":"2,3,4,5,6,7,8-Heptahydroxyoctanal(None)","U251_Control_1_NEG":"13038506.94","U251_Control_2_NEG":"8768021.13","U251_Control_3_NEG":"10096870.55","U251_Control_4_NEG":"13313535.34","U251_Pimozide_1_NEG":"12361036.56","U251_Pimozide_2_NEG":"11983893.03","U251_Pimozide_3_NEG":"12440545.72","U251_Pimozide_4_NEG":"11424875.43"},{"Metabolite":"2,3,4,5,6,7,8-Heptahydroxyoctanal(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"222908.7103","U251_Control_4_NEG":"280539.0065","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Methyl 3,5-dinitrosalicylate(None)","U251_Control_1_NEG":"1649664.124","U251_Control_2_NEG":"872467.9746","U251_Control_3_NEG":"819208.6647","U251_Control_4_NEG":"2137129.449","U251_Pimozide_1_NEG":"934883.9922","U251_Pimozide_2_NEG":"977269.6475","U251_Pimozide_3_NEG":"1085794.727","U251_Pimozide_4_NEG":"2043531.104"},{"Metabolite":"3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(None)","U251_Control_1_NEG":"1020869.971","U251_Control_2_NEG":"953021.7102","U251_Control_3_NEG":"1245805.66","U251_Control_4_NEG":"1238780.014","U251_Pimozide_1_NEG":"889804.6518","U251_Pimozide_2_NEG":"987056.8528","U251_Pimozide_3_NEG":"1069775.142","U251_Pimozide_4_NEG":"980273.5178"},{"Metabolite":"Phthalic acid(None)","U251_Control_1_NEG":"671014.8956","U251_Control_2_NEG":"727844.0597","U251_Control_3_NEG":"861830.8977","U251_Control_4_NEG":"802975.9503","U251_Pimozide_1_NEG":"978747.2073","U251_Pimozide_2_NEG":"475766.8381","U251_Pimozide_3_NEG":"370630.5651","U251_Pimozide_4_NEG":"885934.1718"},{"Metabolite":"Terephthalic acid(None)","U251_Control_1_NEG":"1984855.418","U251_Control_2_NEG":"0","U251_Control_3_NEG":"2414407.084","U251_Control_4_NEG":"21589688.57","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"7814417.08","U251_Pimozide_4_NEG":"1780753.618"},{"Metabolite":"Terephthalic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"141717.4286","U251_Pimozide_3_NEG":"156534.8369","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Phthalic acid(13C_8)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"90303.29022","U251_Control_4_NEG":"66013.81705","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(13C_8)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"196401.5972","U251_Control_3_NEG":"172359.1136","U251_Control_4_NEG":"221340.638","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"150647.6649","U251_Pimozide_3_NEG":"203850.4939","U251_Pimozide_4_NEG":"174549.3723"},{"Metabolite":"2-Amino-6-methylsulfonylbenzothiazole(None)","U251_Control_1_NEG":"1083226.087","U251_Control_2_NEG":"1172199.341","U251_Control_3_NEG":"1214563.413","U251_Control_4_NEG":"1270596.732","U251_Pimozide_1_NEG":"1098061.256","U251_Pimozide_2_NEG":"1130797.648","U251_Pimozide_3_NEG":"1225683.294","U251_Pimozide_4_NEG":"1207609.701"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(None)","U251_Control_1_NEG":"101609.5291","U251_Control_2_NEG":"142243.3644","U251_Control_3_NEG":"105220.4991","U251_Control_4_NEG":"191453.4548","U251_Pimozide_1_NEG":"113779.6303","U251_Pimozide_2_NEG":"28354.22471","U251_Pimozide_3_NEG":"123433.8369","U251_Pimozide_4_NEG":"275114.3932"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"10736.93328","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"101401.5749"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_4)","U251_Control_1_NEG":"162666.9881","U251_Control_2_NEG":"213071.9522","U251_Control_3_NEG":"170507.7174","U251_Control_4_NEG":"302061.2072","U251_Pimozide_1_NEG":"284436.2885","U251_Pimozide_2_NEG":"136929.5481","U251_Pimozide_3_NEG":"361147.0389","U251_Pimozide_4_NEG":"575166.4184"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_5)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"18108.44375"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_7)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"103433.2193","U251_Pimozide_2_NEG":"39060.43939","U251_Pimozide_3_NEG":"112460.933","U251_Pimozide_4_NEG":"155571.3719"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_8)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"114111.1607","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"152943.7597","U251_Pimozide_4_NEG":"192844.3607"},{"Metabolite":"2,6-Dimethylbenzenesulfonyl Chloride(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"79166.67686","U251_Control_3_NEG":"260151.3112","U251_Control_4_NEG":"127145.8686","U251_Pimozide_1_NEG":"78102.75043","U251_Pimozide_2_NEG":"198017.8414","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"280592.0879"},{"Metabolite":"2,6-Dimethylbenzenesulfonyl Chloride(13C_4)","U251_Control_1_NEG":"62150.24765","U251_Control_2_NEG":"114178.7229","U251_Control_3_NEG":"105061.634","U251_Control_4_NEG":"135930.814","U251_Pimozide_1_NEG":"121023.4871","U251_Pimozide_2_NEG":"150743.3424","U251_Pimozide_3_NEG":"189508.152","U251_Pimozide_4_NEG":"0"},{"Metabolite":"4-Pyridoxic acid*,*5-pyridoxic acid(None)","U251_Control_1_NEG":"253983.1665","U251_Control_2_NEG":"222547.4888","U251_Control_3_NEG":"563475.6184","U251_Control_4_NEG":"346397.9175","U251_Pimozide_1_NEG":"346395.0988","U251_Pimozide_2_NEG":"415391.0036","U251_Pimozide_3_NEG":"660807.9206","U251_Pimozide_4_NEG":"322646.4639"},{"Metabolite":"DL-p-Hydroxyphenyllactic acid(None)","U251_Control_1_NEG":"871221.6382","U251_Control_2_NEG":"1019115.999","U251_Control_3_NEG":"651032.7371","U251_Control_4_NEG":"710099.2477","U251_Pimozide_1_NEG":"709643.7983","U251_Pimozide_2_NEG":"539926.9238","U251_Pimozide_3_NEG":"961797.7435","U251_Pimozide_4_NEG":"964260.1223"},{"Metabolite":"DL-p-Hydroxyphenyllactic acid(13C_8)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"44629.48473","U251_Control_4_NEG":"93345.32021","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"87558.75309","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Pseudouridine(None)","U251_Control_1_NEG":"899000.0167","U251_Control_2_NEG":"871673.8372","U251_Control_3_NEG":"1210530.372","U251_Control_4_NEG":"426234.8889","U251_Pimozide_1_NEG":"1389392.741","U251_Pimozide_2_NEG":"1494671.701","U251_Pimozide_3_NEG":"1920523.743","U251_Pimozide_4_NEG":"1872239.859"},{"Metabolite":"U,(Uridine)(None)","U251_Control_1_NEG":"3932382.447","U251_Control_2_NEG":"3504021.892","U251_Control_3_NEG":"7477146.202","U251_Control_4_NEG":"3531056.329","U251_Pimozide_1_NEG":"5448405.886","U251_Pimozide_2_NEG":"6801381.052","U251_Pimozide_3_NEG":"10519169.76","U251_Pimozide_4_NEG":"7257314.067"},{"Metabolite":"U,(Uridine)(13C_3)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"8376.02716","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"186818.9296","U251_Pimozide_4_NEG":"50034.94837"},{"Metabolite":"U,(Uridine)(13C_5)","U251_Control_1_NEG":"581181.2528","U251_Control_2_NEG":"273142.1027","U251_Control_3_NEG":"493692.581","U251_Control_4_NEG":"373336.8851","U251_Pimozide_1_NEG":"728148.2139","U251_Pimozide_2_NEG":"1372810.752","U251_Pimozide_3_NEG":"459159.9549","U251_Pimozide_4_NEG":"304650.1042"},{"Metabolite":"2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(None)","U251_Control_1_NEG":"1822161.459","U251_Control_2_NEG":"2015058.19","U251_Control_3_NEG":"2257059.964","U251_Control_4_NEG":"2039618.951","U251_Pimozide_1_NEG":"2123573.608","U251_Pimozide_2_NEG":"1908550.394","U251_Pimozide_3_NEG":"3088027.795","U251_Pimozide_4_NEG":"2111809.026"},{"Metabolite":"2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(13C_1)","U251_Control_1_NEG":"85174.68376","U251_Control_2_NEG":"84314.8364","U251_Control_3_NEG":"39031.45149","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"71468.80979","U251_Pimozide_2_NEG":"99190.82187","U251_Pimozide_3_NEG":"5836.314936","U251_Pimozide_4_NEG":"81875.29065"},{"Metabolite":"Uridine 5''-diphosphate (UDP)*,*UDP(None)","U251_Control_1_NEG":"2206323.387","U251_Control_2_NEG":"2966376.206","U251_Control_3_NEG":"1879972.418","U251_Control_4_NEG":"4453759.424","U251_Pimozide_1_NEG":"7021648.564","U251_Pimozide_2_NEG":"2853307.101","U251_Pimozide_3_NEG":"2611928.731","U251_Pimozide_4_NEG":"2523946.822"},{"Metabolite":"Uridine 5''-diphosphate (UDP)*,*UDP(13C_1)","U251_Control_1_NEG":"36546.39905","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"34514.22424","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Uridine 5''-diphosphate (UDP)*,*UDP(13C_3)","U251_Control_1_NEG":"16286.27356","U251_Control_2_NEG":"17353.3202","U251_Control_3_NEG":"0","U251_Control_4_NEG":"157754.2391","U251_Pimozide_1_NEG":"282253.6639","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"21053.34665"},{"Metabolite":"5-CMP*,*CMP(None)","U251_Control_1_NEG":"13041593.64","U251_Control_2_NEG":"12626788.9","U251_Control_3_NEG":"13765815.58","U251_Control_4_NEG":"13543434.76","U251_Pimozide_1_NEG":"23521772.96","U251_Pimozide_2_NEG":"17499935.78","U251_Pimozide_3_NEG":"20779420.15","U251_Pimozide_4_NEG":"28011638.81"},{"Metabolite":"5-CMP*,*CMP(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"90446.02828","U251_Control_4_NEG":"216377.4268","U251_Pimozide_1_NEG":"0","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"329658.2014","U251_Pimozide_4_NEG":"76141.21385"},{"Metabolite":"cis-2-Carboxycyclohexyl-acetic acid(None)","U251_Control_1_NEG":"348205.18","U251_Control_2_NEG":"605450.7279","U251_Control_3_NEG":"616254.2575","U251_Control_4_NEG":"195683.0253","U251_Pimozide_1_NEG":"379305.5276","U251_Pimozide_2_NEG":"839186.0742","U251_Pimozide_3_NEG":"571920.0257","U251_Pimozide_4_NEG":"1941947.341"},{"Metabolite":"1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(None)","U251_Control_1_NEG":"15342175.44","U251_Control_2_NEG":"25311514.5","U251_Control_3_NEG":"25327868.51","U251_Control_4_NEG":"26043777.69","U251_Pimozide_1_NEG":"27540437.49","U251_Pimozide_2_NEG":"22910141.57","U251_Pimozide_3_NEG":"33411026.38","U251_Pimozide_4_NEG":"46526741.64"},{"Metabolite":"1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_3)","U251_Control_1_NEG":"622087.3622","U251_Control_2_NEG":"1032612.254","U251_Control_3_NEG":"1323867.059","U251_Control_4_NEG":"1034635.825","U251_Pimozide_1_NEG":"1370229.919","U251_Pimozide_2_NEG":"1393710.375","U251_Pimozide_3_NEG":"2367014.122","U251_Pimozide_4_NEG":"2621931.834"},{"Metabolite":"1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_5)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"1848202.567","U251_Control_3_NEG":"0","U251_Control_4_NEG":"1533147.938","U251_Pimozide_1_NEG":"983143.7697","U251_Pimozide_2_NEG":"883309.0105","U251_Pimozide_3_NEG":"1409474.591","U251_Pimozide_4_NEG":"2375005.655"},{"Metabolite":"CDP(None)","U251_Control_1_NEG":"4306882.793","U251_Control_2_NEG":"4000167.41","U251_Control_3_NEG":"1790450.156","U251_Control_4_NEG":"7252920.518","U251_Pimozide_1_NEG":"10399465.06","U251_Pimozide_2_NEG":"3977504.473","U251_Pimozide_3_NEG":"2174218.572","U251_Pimozide_4_NEG":"5557772.305"},{"Metabolite":"CTP(None)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"18123006.23","U251_Control_3_NEG":"18986165.76","U251_Control_4_NEG":"17873959.43","U251_Pimozide_1_NEG":"4046412.878","U251_Pimozide_2_NEG":"9131142.862","U251_Pimozide_3_NEG":"11401396.3","U251_Pimozide_4_NEG":"22296078.34"},{"Metabolite":"9-Oxononanoic acid(None)","U251_Control_1_NEG":"1822413.605","U251_Control_2_NEG":"1526690.747","U251_Control_3_NEG":"1241519.761","U251_Control_4_NEG":"1643572.273","U251_Pimozide_1_NEG":"1036124.956","U251_Pimozide_2_NEG":"3359431.082","U251_Pimozide_3_NEG":"1599085.304","U251_Pimozide_4_NEG":"1600965.404"},{"Metabolite":"9-Oxononanoic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"17542.39261","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"40428.78666","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"0"},{"Metabolite":"Azelaic acid(None)","U251_Control_1_NEG":"22395368.46","U251_Control_2_NEG":"11850074.44","U251_Control_3_NEG":"12511398.41","U251_Control_4_NEG":"14675275.33","U251_Pimozide_1_NEG":"11752116.73","U251_Pimozide_2_NEG":"13992511.29","U251_Pimozide_3_NEG":"13809873.07","U251_Pimozide_4_NEG":"12709217.58"},{"Metabolite":"Azelaic acid(13C_1)","U251_Control_1_NEG":"0","U251_Control_2_NEG":"0","U251_Control_3_NEG":"0","U251_Control_4_NEG":"441175.7072","U251_Pimozide_1_NEG":"107141.1181","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"16825.32742"},{"Metabolite":"8-Amino-7-oxononanoic acid(None)","U251_Control_1_NEG":"3139626.984","U251_Control_2_NEG":"10108948.59","U251_Control_3_NEG":"58034254.27","U251_Control_4_NEG":"6224762.187","U251_Pimozide_1_NEG":"4691678.471","U251_Pimozide_2_NEG":"5725817.316","U251_Pimozide_3_NEG":"2733614.112","U251_Pimozide_4_NEG":"9582302.934"},{"Metabolite":"8-Amino-7-oxononanoic acid(13C_1)","U251_Control_1_NEG":"158657.7639","U251_Control_2_NEG":"32024.6308","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"165127.4448","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"0","U251_Pimozide_4_NEG":"53840.55265"},{"Metabolite":"N-[(2S)-2-Hydroxypropanoyl]-L-leucine(None)","U251_Control_1_NEG":"1009318.973","U251_Control_2_NEG":"823360.8027","U251_Control_3_NEG":"682273.0033","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"752617.8529","U251_Pimozide_2_NEG":"868187.4974","U251_Pimozide_3_NEG":"976834.5534","U251_Pimozide_4_NEG":"765431.3756"},{"Metabolite":"Pantothenic acid(None)","U251_Control_1_NEG":"252276927","U251_Control_2_NEG":"256008254.3","U251_Control_3_NEG":"235358042.4","U251_Control_4_NEG":"221937760.8","U251_Pimozide_1_NEG":"329533044.9","U251_Pimozide_2_NEG":"324814595.9","U251_Pimozide_3_NEG":"332603097.1","U251_Pimozide_4_NEG":"363672791.8"},{"Metabolite":"3-Hydroxy-3-propylhexanoic acid(None)","U251_Control_1_NEG":"1427500.211","U251_Control_2_NEG":"701742.2151","U251_Control_3_NEG":"1037968.618","U251_Control_4_NEG":"706462.279","U251_Pimozide_1_NEG":"1847998.955","U251_Pimozide_2_NEG":"3094978.148","U251_Pimozide_3_NEG":"868508.4538","U251_Pimozide_4_NEG":"3009731.378"},{"Metabolite":"3-Hydroxy-3-propylhexanoic acid(13C_1)","U251_Control_1_NEG":"13302.67482","U251_Control_2_NEG":"15260.40801","U251_Control_3_NEG":"0","U251_Control_4_NEG":"0","U251_Pimozide_1_NEG":"60107.88723","U251_Pimozide_2_NEG":"0","U251_Pimozide_3_NEG":"252.7949805","U251_Pimozide_4_NEG":"27734.6927"},{"Metabolite":"Methyl 2-(dimethoxymethyl)-3-methylbutanoate(None)","U251_Control_1_NEG":"141276.5606","U251_Control_2_NEG":"67652.90163","U251_Control_3_NEG":"366251.0281","U251_Control_4_NEG":"206198.4729","U251_Pimozide_1_NEG":"409025.503","U251_Pimozide_2_NEG":"440853.7106","U251_Pimozide_3_NEG":"285082.1191","U251_Pimozide_4_NEG":"528297.6271"},{"Metabolite":"Indole-3-aldehyde(None)","U251_Control_1_NEG":"401588.054","U251_Control_2_NEG":"495634.1885","U251_Control_3_NEG":"598696.9641","U251_Control_4_NEG":"368148.1659","U251_Pimozide_1_NEG":"434058.4196","U251_Pimozide_2_NEG":"581409.4215","U251_Pimozide_3_NEG":"698274.0868","U251_Pimozide_4_NEG":"551455.5762"},{"Metabolite":"4-Hydroxyphenylpyruvic acid(None)","U251_Control_1_NEG":"310452.0558","U251_Control_2_NEG":"261925.095","U251_Control_3_NEG":"363344.1903","U251_Control_4_NEG":"285948.0204","U251_Pimozide_1_NEG":"347338.7385","U251_Pimozide_2_NEG":"558913.0139","U251_Pimozide_3_NEG":"393461.9167","U251_Pimozide_4_NEG":"313729.4586"},{"Metabolite":"4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid(None)","U251_Control_1_NEG":"951167.5924","U251_Control_2_NEG":"999889.1207","U251_Control_3_NEG":"990259.9912","U251_Control_4_NEG":"1186056.089","U251_Pimozide_1_NEG":"1695003.836","U251_Pimozide_2_NEG":"1512674.664","U251_Pimozide_3_NEG":"1355453.388","U251_Pimozide_4_NEG":"2836088.861"},{"Metabolite":"Phosphoric acid(None)","U251_Control_1_NEG":"823929071.9","U251_Control_2_NEG":"858086574.7","U251_Control_3_NEG":"1043503667","U251_Control_4_NEG":"542247282","U251_Pimozide_1_NEG":"741545756.1","U251_Pimozide_2_NEG":"999397915.3","U251_Pimozide_3_NEG":"1171062924","U251_Pimozide_4_NEG":"1070341979"},{"Metabolite":"Pyrophosphoric Acid(None)","U251_Control_1_NEG":"154158762.1","U251_Control_2_NEG":"152332266.6","U251_Control_3_NEG":"196186712.6","U251_Control_4_NEG":"83170135.48","U251_Pimozide_1_NEG":"92744997.88","U251_Pimozide_2_NEG":"168829454.4","U251_Pimozide_3_NEG":"242845591.8","U251_Pimozide_4_NEG":"194986311.6"}],

"Metabolites":[{"Metabolite":"Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate(None)","Reference(m/z)":"209.0449441","Retention time":"13.655215","InHouse_CAS":"CD"},{"Metabolite":"Orotidine(None)","Reference(m/z)":"287.0515509","Retention time":"1.25623245","InHouse_CAS":"CD"},{"Metabolite":"Orotidine(13C_4)","Reference(m/z)":"291.0659285","Retention time":"1.3215882","InHouse_CAS":"CD"},{"Metabolite":"L-Tyrosine methyl ester(None)","Reference(m/z)":"194.0822423","Retention time":"19.122106","InHouse_CAS":"CD"},{"Metabolite":"Methyl tyrosinate(None)","Reference(m/z)":"194.0822723","Retention time":"18.90277947","InHouse_CAS":"CD"},{"Metabolite":"Guanosine 5''-diphosphate (GDP)*,*GDP(None)","Reference(m/z)":"442.0166937","Retention time":"1.668728276","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"5-ATP*,*ATP(None)","Reference(m/z)":"505.987992","Retention time":"1.393297969","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"5-ATP*,*ATP(13C_1)","Reference(m/z)":"506.9898572","Retention time":"1.388444125","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"5-ATP*,*ATP(13C_5)","Reference(m/z)":"511.0045474","Retention time":"1.392539929","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"5-ATP*,*ATP(13C_6)","Reference(m/z)":"512.0072498","Retention time":"1.38736183","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(None)","Reference(m/z)":"199.0974941","Retention time":"15.11660664","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"Decenedioic acid(None)","Reference(m/z)":"199.0975212","Retention time":"14.91591186","InHouse_CAS":"CD"},{"Metabolite":"Decenedioic acid(13C_1)","Reference(m/z)":"200.1009323","Retention time":"14.88614","InHouse_CAS":"CD"},{"Metabolite":"(5Z)-5-Decenedioic acid*,*cis-4-Decenedioic acid*,*Decenedioic acid(13C_1)","Reference(m/z)":"200.101022","Retention time":"15.113885","InHouse_CAS":"CD*,*CD*,*CD*,*CD*,*CD*,*CD"},{"Metabolite":"gamma-Glu-gln(None)","Reference(m/z)":"274.1040638","Retention time":"1.417163907","InHouse_CAS":"CD"},{"Metabolite":"gamma-Glu-gln(13C_10)","Reference(m/z)":"284.1376596","Retention time":"1.323328063","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"gamma-Glu-gln(13C_5)","Reference(m/z)":"279.1208567","Retention time":"1.3240321","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(None)","Reference(m/z)":"306.07614","Retention time":"1.68222382","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(13C_3)","Reference(m/z)":"309.0880989","Retention time":"1.68960924","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(13C_4)","Reference(m/z)":"310.0902107","Retention time":"1.689015638","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"L-Glutathione (reduced)*,*Glutathione(13C_5)","Reference(m/z)":"311.0927163","Retention time":"1.690488788","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"3-Methylazelaic acid(None)","Reference(m/z)":"201.113174","Retention time":"16.38743768","InHouse_CAS":"CD"},{"Metabolite":"3-Methylazelaic acid(13C_1)","Reference(m/z)":"202.1164928","Retention time":"16.39658438","InHouse_CAS":"CD"},{"Metabolite":"2-hydroxysebacic acid*,*3-Hydroxysebacic acid(None)","Reference(m/z)":"217.1079033","Retention time":"14.35466925","InHouse_CAS":"CD*,*CD"},{"Metabolite":"1-BOC-4-Mercaptopiperidine(None)","Reference(m/z)":"216.1062198","Retention time":"15.93679125","InHouse_CAS":"CD"},{"Metabolite":"Capryloylglycine(None)","Reference(m/z)":"200.1291574","Retention time":"14.82780345","InHouse_CAS":"CD"},{"Metabolite":"Capryloylglycine(13C_1)","Reference(m/z)":"201.1325111","Retention time":"14.883639","InHouse_CAS":"CD"},{"Metabolite":"1-Benzothiophen-3-ylacetonitrile(None)","Reference(m/z)":"172.022719","Retention time":"7.2566123","InHouse_CAS":"CD"},{"Metabolite":"1-Benzothiophen-3-ylacetonitrile(13C_1)","Reference(m/z)":"173.0265386","Retention time":"7.2629501","InHouse_CAS":"CD"},{"Metabolite":"2-[(Carboxymethoxy)carbonyl]benzoic acid(None)","Reference(m/z)":"223.0249799","Retention time":"13.90308616","InHouse_CAS":"CD"},{"Metabolite":"2-[(Carboxymethoxy)carbonyl]benzoic acid(13C_1)","Reference(m/z)":"224.0279997","Retention time":"13.895704","InHouse_CAS":"CD*,*CD"},{"Metabolite":"indole-3-lactic acid(None)","Reference(m/z)":"204.0664199","Retention time":"14.53689642","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"5-Hydroxy-DL-tryptophan(None)","Reference(m/z)":"219.0771714","Retention time":"6.26471","InHouse_CAS":"CD"},{"Metabolite":"5-Hydroxy-DL-tryptophan(13C_1)","Reference(m/z)":"220.0806221","Retention time":"6.2766134","InHouse_CAS":"CD"},{"Metabolite":"5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(None)","Reference(m/z)":"207.0662349","Retention time":"16.54270711","InHouse_CAS":"CD"},{"Metabolite":"(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid(None)","Reference(m/z)":"207.0661141","Retention time":"14.596617","InHouse_CAS":"CD"},{"Metabolite":"5-(3,4-Dihydroxybenzyl)dihydro-2(3H)-furanone(13C_1)","Reference(m/z)":"208.0705139","Retention time":"16.56526","InHouse_CAS":"CD"},{"Metabolite":"2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(None)","Reference(m/z)":"253.0827336","Retention time":"4.0491152","InHouse_CAS":"CD*,*CD"},{"Metabolite":"4-Tert-butyl-2,6-dinitroanisole(None)","Reference(m/z)":"253.0827518","Retention time":"19.31051144","InHouse_CAS":"CD"},{"Metabolite":"2-Hydroxyfelbamate*,*4-Tert-butyl-2,6-dinitroanisole(13C_1)","Reference(m/z)":"254.0863098","Retention time":"4.04195848","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Butylparaben(None)","Reference(m/z)":"193.086945","Retention time":"17.95245972","InHouse_CAS":"CD"},{"Metabolite":"Anhalamine*,*5-Methyl-4-(1-pyrrolidinylmethyl)-2-furoic acid(None)","Reference(m/z)":"208.0978173","Retention time":"19.13860438","InHouse_CAS":"CD*,*CD"},{"Metabolite":"(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(None)","Reference(m/z)":"224.0927216","Retention time":"18.79078525","InHouse_CAS":"CD"},{"Metabolite":"(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-(4-hydroxyphenyl)-3,4-pyrrolidinediol(13C_1)","Reference(m/z)":"225.0962207","Retention time":"18.797733","InHouse_CAS":"CD"},{"Metabolite":"2-Amino-N''-(2,4-dinitrophenyl)-5-hydroxypentanehydrazide(None)","Reference(m/z)":"312.0946155","Retention time":"5.308551654","InHouse_CAS":"CD"},{"Metabolite":"N-Acetyl-1-aspartylglutamic acid(None)","Reference(m/z)":"303.0829418","Retention time":"3.87029809","InHouse_CAS":"CD"},{"Metabolite":"N-Acetylneuraminic acid(None)","Reference(m/z)":"308.0984414","Retention time":"1.406593033","InHouse_CAS":"CD"},{"Metabolite":"N-Acetylneuraminic acid(13C_1)","Reference(m/z)":"309.1017451","Retention time":"1.4166609","InHouse_CAS":"CD*,*CD*,*CD*,*CD*,*CD*,*CD"},{"Metabolite":"Di-tert-butyl malonate(None)","Reference(m/z)":"215.1288598","Retention time":"4.121570738","InHouse_CAS":"CD"},{"Metabolite":"Dimethyl 2-hydroxy-7-methyloctanedioate(None)","Reference(m/z)":"231.1235269","Retention time":"15.73944161","InHouse_CAS":"CD"},{"Metabolite":"Dimethyl 2-hydroxy-7-methyloctanedioate(13C_1)","Reference(m/z)":"232.1271256","Retention time":"15.7653","InHouse_CAS":"CD"},{"Metabolite":"10-(Methylsulfonyl)decanenitrile(None)","Reference(m/z)":"230.1217819","Retention time":"16.72978208","InHouse_CAS":"CD"},{"Metabolite":"TIQ-A(None)","Reference(m/z)":"200.017475","Retention time":"7.4277071","InHouse_CAS":"CD"},{"Metabolite":"TIQ-A(13C_2)","Reference(m/z)":"202.0238732","Retention time":"7.4222925","InHouse_CAS":"CD"},{"Metabolite":"TIQ-A(13C_3)","Reference(m/z)":"203.027432","Retention time":"7.4277071","InHouse_CAS":"CD"},{"Metabolite":"TIQ-A(13C_4)","Reference(m/z)":"204.0307294","Retention time":"7.4263531","InHouse_CAS":"CD"},{"Metabolite":"2,2''-Bipyridine-4,4''-dicarboxamide(None)","Reference(m/z)":"241.072446","Retention time":"15.36277761","InHouse_CAS":"CD"},{"Metabolite":"(2Z)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-hydroxyacrylic acid*,*3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-oxiranecarboxylic acid(None)","Reference(m/z)":"267.0503196","Retention time":"14.63087386","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(None)","Reference(m/z)":"236.0928362","Retention time":"14.47878672","InHouse_CAS":"CD"},{"Metabolite":"3-(3,4-Dihydroxyphenyl)-N-(3-oxopropyl)propanamide(13C_1)","Reference(m/z)":"237.0960034","Retention time":"14.45835","InHouse_CAS":"CD"},{"Metabolite":"4-(4-Ethylphenyl)butanoic acid(None)","Reference(m/z)":"191.1077517","Retention time":"18.18142895","InHouse_CAS":"CD"},{"Metabolite":"4-(4-Ethylphenyl)butanoic acid(13C_1)","Reference(m/z)":"192.1111035","Retention time":"18.19937714","InHouse_CAS":"CD"},{"Metabolite":"CMPF*,*Isoamyl Gallate(None)","Reference(m/z)":"239.0923606","Retention time":"16.60499371","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(None)","Reference(m/z)":"239.0922742","Retention time":"16.88861529","InHouse_CAS":"CD"},{"Metabolite":"CMPF*,*Isoamyl Gallate(13C_1)","Reference(m/z)":"240.0959759","Retention time":"16.63682025","InHouse_CAS":"CD*,*CD*,*CD*,*CD*,*CD*,*CD"},{"Metabolite":"(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid(13C_1)","Reference(m/z)":"240.0957081","Retention time":"16.90249856","InHouse_CAS":"CD"},{"Metabolite":"4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid(None)","Reference(m/z)":"273.0974377","Retention time":"13.41911269","InHouse_CAS":"CD"},{"Metabolite":"6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid(None)","Reference(m/z)":"243.1234487","Retention time":"15.60578753","InHouse_CAS":"CD"},{"Metabolite":"Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(None)","Reference(m/z)":"243.1234392","Retention time":"16.02999271","InHouse_CAS":"CD"},{"Metabolite":"Diisopropyl 3-hydroxy-1,1-cyclobutanedicarboxylate(13C_1)","Reference(m/z)":"244.126919","Retention time":"16.0584166","InHouse_CAS":"CD"},{"Metabolite":"H-HIS-ARG-OH(None)","Reference(m/z)":"310.1632003","Retention time":"17.16018383","InHouse_CAS":"CD"},{"Metabolite":"H-HIS-ARG-OH(13C_1)","Reference(m/z)":"311.1670886","Retention time":"17.16647683","InHouse_CAS":"CD"},{"Metabolite":"5,8,12-Trihydroxy-2-oxododecanoic acid(None)","Reference(m/z)":"261.1339467","Retention time":"14.89517505","InHouse_CAS":"CD*,*CD"},{"Metabolite":"S-3-oxodecanoyl cysteamine(None)","Reference(m/z)":"244.1373691","Retention time":"17.35029025","InHouse_CAS":"CD"},{"Metabolite":"S-3-oxodecanoyl cysteamine(13C_1)","Reference(m/z)":"245.1401253","Retention time":"17.341575","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Benzoresorcinol(None)","Reference(m/z)":"213.0555875","Retention time":"15.80813192","InHouse_CAS":"CD"},{"Metabolite":"4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone(None)","Reference(m/z)":"233.0817904","Retention time":"16.81592533","InHouse_CAS":"CD"},{"Metabolite":"[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(None)","Reference(m/z)":"251.0921558","Retention time":"17.85009194","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_1)","Reference(m/z)":"252.0964153","Retention time":"17.855204","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"[2,4,6-Trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]acetic acid*,*Dimethyl (5R,6R)-1-oxo-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate*,*Eugenone*,*Methyl 4-(2,5-dimethoxyphenyl)-4-oxobutanoate(13C_2)","Reference(m/z)":"253.0996209","Retention time":"17.859918","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"Diethyl (2-oxocyclohexyl)malonate(None)","Reference(m/z)":"255.1233989","Retention time":"16.73384","InHouse_CAS":"CD"},{"Metabolite":"Brassylic acid(None)","Reference(m/z)":"243.1598656","Retention time":"17.95867935","InHouse_CAS":"CD"},{"Metabolite":"Brassylic acid(13C_1)","Reference(m/z)":"244.1631307","Retention time":"18.00814908","InHouse_CAS":"CD"},{"Metabolite":"N-(Adamantan-1-ylcarbonyl)alanine(None)","Reference(m/z)":"250.1443972","Retention time":"20.40989141","InHouse_CAS":"CD"},{"Metabolite":"N-(Adamantan-1-ylcarbonyl)alanine(13C_1)","Reference(m/z)":"251.1478931","Retention time":"20.496193","InHouse_CAS":"CD"},{"Metabolite":"Ethylene dodecanedioate(None)","Reference(m/z)":"255.1596899","Retention time":"18.0308","InHouse_CAS":"CD"},{"Metabolite":"1-Isopropyl-4-methyl-7,12-dithiaspiro[5.6]dodecane(None)","Reference(m/z)":"257.1391031","Retention time":"18.19468809","InHouse_CAS":"CD"},{"Metabolite":"Myristyl sulfate(None)","Reference(m/z)":"293.1782347","Retention time":"22.07833747","InHouse_CAS":"CD"},{"Metabolite":"[1-(3,5-Dimethoxybenzyl)-3-oxo-2-piperazinyl]acetic acid(None)","Reference(m/z)":"307.1295532","Retention time":"20.2322266","InHouse_CAS":"CD"},{"Metabolite":"udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(None)","Reference(m/z)":"579.0264486","Retention time":"1.175002306","InHouse_CAS":"CD*,*CD"},{"Metabolite":"udp-glucuronic acid*,*Uridine 5’-diphosphate-D-glucuronate(13C_1)","Reference(m/z)":"580.0296579","Retention time":"1.1560607","InHouse_CAS":"CD*,*CD"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(None)","Reference(m/z)":"565.047076","Retention time":"7.770391571","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_1)","Reference(m/z)":"566.0499461","Retention time":"7.788517275","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_2)","Reference(m/z)":"567.0518608","Retention time":"7.7660703","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"UDP-Glucose*,*UDP-GAL (UDP-Galactose)(13C_3)","Reference(m/z)":"568.0563415","Retention time":"7.7681886","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"Methyl N,S-dihexanoylcysteinate(None)","Reference(m/z)":"330.1740638","Retention time":"17.53032579","InHouse_CAS":"CD"},{"Metabolite":"Methyl N,S-dihexanoylcysteinate(13C_1)","Reference(m/z)":"331.1769105","Retention time":"17.501403","InHouse_CAS":"CD"},{"Metabolite":"Ethyl myristate(None)","Reference(m/z)":"255.2325548","Retention time":"21.99207661","InHouse_CAS":"CD"},{"Metabolite":"16-Hydroxyhexadecanoic acid(None)","Reference(m/z)":"271.2275023","Retention time":"19.60384508","InHouse_CAS":"CD"},{"Metabolite":"UDP-GALC NAC(None)","Reference(m/z)":"606.073252","Retention time":"7.677912704","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"UDP-GALC NAC(13C_2)","Reference(m/z)":"608.0790621","Retention time":"7.6362215","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"UDP-GALC NAC(13C_3)","Reference(m/z)":"609.0828816","Retention time":"7.6322832","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"5,4''-dihydroxy-3,3''-dimethoxy-6,7-methylenedioxyflavone(None)","Reference(m/z)":"357.0608737","Retention time":"17.23217235","InHouse_CAS":"CD"},{"Metabolite":"5,4''-dihydroxy-3,3''-dimethoxy-6,7-methylenedioxyflavone(13C_1)","Reference(m/z)":"358.0646836","Retention time":"17.24594509","InHouse_CAS":"CD"},{"Metabolite":"L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(None)","Reference(m/z)":"455.1237445","Retention time":"14.0429855","InHouse_CAS":"CD"},{"Metabolite":"L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_1)","Reference(m/z)":"456.1264069","Retention time":"14.03359122","InHouse_CAS":"CD"},{"Metabolite":"L-gamma-Glutamyl-S-(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)cysteinylglycine(13C_5)","Reference(m/z)":"460.1404376","Retention time":"14.0694545","InHouse_CAS":"CD"},{"Metabolite":"4-(4-Dodecanyl)benzenesulfonic acid(None)","Reference(m/z)":"325.1840928","Retention time":"22.06219467","InHouse_CAS":"CD"},{"Metabolite":"(+/-)9-HpODE(None)","Reference(m/z)":"311.2227608","Retention time":"19.233268","InHouse_CAS":"CD"},{"Metabolite":"(+/-)12(13)-DiHOME*,*(+/-)9,10-dihydroxy-12Z-octadecenoic acid(None)","Reference(m/z)":"313.2383232","Retention time":"18.89126235","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(None)","Reference(m/z)":"401.0872742","Retention time":"17.2934404","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxy-5,7,8-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one*,*Frangulin B(13C_1)","Reference(m/z)":"402.0907641","Retention time":"17.270769","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Glutathione oxidized(None)","Reference(m/z)":"611.1448671","Retention time":"7.999627247","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Glutathione oxidized(13C_1)","Reference(m/z)":"612.1475861","Retention time":"8.036589913","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Glutathione oxidized(13C_10)","Reference(m/z)":"621.1783718","Retention time":"7.9987164","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Glutathione oxidized(13C_11)","Reference(m/z)":"622.1803766","Retention time":"7.9909586","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Glutathione oxidized(13C_3)","Reference(m/z)":"614.1520674","Retention time":"8.0003877","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Glutathione oxidized(13C_4)","Reference(m/z)":"615.1552489","Retention time":"8.0059311","InHouse_CAS":"CD"},{"Metabolite":"L-Glutathione oxidized(13C_5)","Reference(m/z)":"616.161485","Retention time":"8.010435722","InHouse_CAS":"CD"},{"Metabolite":"L-Glutathione oxidized(13C_9)","Reference(m/z)":"620.1738028","Retention time":"8.0178042","InHouse_CAS":"CD"},{"Metabolite":"Dibutyl dodecanedioate(None)","Reference(m/z)":"341.2697058","Retention time":"20.86012515","InHouse_CAS":"CD"},{"Metabolite":"beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(None)","Reference(m/z)":"662.1010657","Retention time":"7.3374286","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"beta-NAD*,*Nicotinamide adenine dinucleotide (NAD)(13C_1)","Reference(m/z)":"663.1040747","Retention time":"7.3333278","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"NADH(None)","Reference(m/z)":"664.1169265","Retention time":"9.122461844","InHouse_CAS":"InHouse"},{"Metabolite":"Trifluoroacetic acid(None)","Reference(m/z)":"112.985706","Retention time":"6.997310315","InHouse_CAS":"CD"},{"Metabolite":"Trifluoroacetic acid(13C_1)","Reference(m/z)":"113.9887936","Retention time":"6.99296768","InHouse_CAS":"CD"},{"Metabolite":"Mesyl anhydride(None)","Reference(m/z)":"172.9577844","Retention time":"7.266843421","InHouse_CAS":"CD"},{"Metabolite":"Taurine(None)","Reference(m/z)":"124.0073273","Retention time":"6.88120877","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Taurine(13C_1)","Reference(m/z)":"125.0109291","Retention time":"6.9110874","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Pyruvate(None)","Reference(m/z)":"87.00864887","Retention time":"5.1510939","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Pyruvate(13C_2)","Reference(m/z)":"89.01549079","Retention time":"5.17201255","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Pyruvate(13C_3)","Reference(m/z)":"90.01870902","Retention time":"5.160541587","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Malonic acid(None)","Reference(m/z)":"103.0036016","Retention time":"5.125237041","InHouse_CAS":"InHouse"},{"Metabolite":"phosphoenolpyruvate (PEP)(None)","Reference(m/z)":"166.9747522","Retention time":"7.691598625","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Lactate(None)","Reference(m/z)":"89.02435415","Retention time":"4.6021308","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Lactate(13C_1)","Reference(m/z)":"90.02762423","Retention time":"4.6033379","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Lactate(13C_3)","Reference(m/z)":"92.0344593","Retention time":"4.6021308","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"DL-Glyceric acid(None)","Reference(m/z)":"105.0192442","Retention time":"1.433871047","InHouse_CAS":"CD"},{"Metabolite":"[(Methylsulfonyl)oxy]acetic acid(None)","Reference(m/z)":"152.9862369","Retention time":"1.379690041","InHouse_CAS":"CD"},{"Metabolite":"β-Alanine*,*Alanine(None)","Reference(m/z)":"88.04025915","Retention time":"7.426997887","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"β-Alanine*,*Alanine(13C_1)","Reference(m/z)":"89.04357329","Retention time":"7.4222925","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"β-Alanine*,*Alanine(13C_2)","Reference(m/z)":"90.04701883","Retention time":"7.4246488","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"β-Alanine*,*Alanine(13C_3)","Reference(m/z)":"91.05030504","Retention time":"7.4232468","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"glycerol 1,2-cyclic phosphate(None)","Reference(m/z)":"152.9957441","Retention time":"6.6598285","InHouse_CAS":"CD"},{"Metabolite":"glycerol 1,2-cyclic phosphate(13C_1)","Reference(m/z)":"153.999185","Retention time":"6.6556511","InHouse_CAS":"CD"},{"Metabolite":"D-Glyceraldehyde3-Phosphate(GADP)(None)","Reference(m/z)":"168.9913822","Retention time":"7.455881663","InHouse_CAS":"InHouse"},{"Metabolite":"Dihydroxyacetone Phosphate (DHAP)*,*DL-Glyceraldehyde 3-phosphate(None)","Reference(m/z)":"168.9905634","Retention time":"1.206834109","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"3-phosphoglycerate (3PG)(None)","Reference(m/z)":"184.9855045","Retention time":"7.869474762","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"2-Phosphoglycerate (2PG)(None)","Reference(m/z)":"184.985495","Retention time":"7.767571422","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"3-phosphoglycerate (3PG)(13C_1)","Reference(m/z)":"185.9889358","Retention time":"7.9870708","InHouse_CAS":"InHouse*,*InHouse*,*InHouse"},{"Metabolite":"3-phosphoglycerate (3PG)(13C_3)","Reference(m/z)":"187.9956665","Retention time":"7.864145575","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"2-Phosphoglycerate (2PG)(13C_3)","Reference(m/z)":"187.9956309","Retention time":"7.769311091","InHouse_CAS":"CD*,*InHouse*,*CD*,*InHouse"},{"Metabolite":"DL-alpha-Glycerol phosphate(None)","Reference(m/z)":"171.0062975","Retention time":"7.3501916","InHouse_CAS":"InHouse"},{"Metabolite":"O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphoryl}-L-serine(None)","Reference(m/z)":"776.543602","Retention time":"4.6188932","InHouse_CAS":"CD"},{"Metabolite":"O-{[(2R)-2-(Docosanoyloxy)-3-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine(None)","Reference(m/z)":"804.5748072","Retention time":"4.59506","InHouse_CAS":"CD"},{"Metabolite":"Phosphocreatine(None)","Reference(m/z)":"210.0283152","Retention time":"7.517233547","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Phosphocreatine(13C_1)","Reference(m/z)":"211.0318193","Retention time":"7.538043624","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Phosphocreatine(13C_3)","Reference(m/z)":"213.0378269","Retention time":"7.56113566","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"P-DMEA(None)","Reference(m/z)":"168.0429114","Retention time":"7.3400274","InHouse_CAS":"CD"},{"Metabolite":"3,6-Dibromopyridazine(None)","Reference(m/z)":"234.850534","Retention time":"5.874777327","InHouse_CAS":"CD"},{"Metabolite":"2-Aminothiazole-4-carboxylic acid(None)","Reference(m/z)":"142.9925349","Retention time":"4.190096118","InHouse_CAS":"CD"},{"Metabolite":"Maleic acid(None)","Reference(m/z)":"115.0036331","Retention time":"2.6429668","InHouse_CAS":"CD"},{"Metabolite":"Fumaric acid(None)","Reference(m/z)":"115.0036721","Retention time":"1.52708244","InHouse_CAS":"CD*,*CD*,*CD*,*InHouse"},{"Metabolite":"Maleic acid(13C_1)","Reference(m/z)":"116.006898","Retention time":"2.5798002","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Fumaric acid(13C_1)","Reference(m/z)":"116.006998","Retention time":"1.537382712","InHouse_CAS":"CD*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*CD*,*InHouse"},{"Metabolite":"Fumaric acid(13C_2)","Reference(m/z)":"117.0107072","Retention time":"1.539718717","InHouse_CAS":"CD*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*CD*,*InHouse"},{"Metabolite":"Maleic acid(13C_2)","Reference(m/z)":"117.0106222","Retention time":"2.6506615","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Fumaric acid(13C_3)","Reference(m/z)":"118.0135967","Retention time":"1.532411113","InHouse_CAS":"CD*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*CD*,*InHouse"},{"Metabolite":"Maleic acid(13C_3)","Reference(m/z)":"118.0136745","Retention time":"2.577424462","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"Fumaric acid(13C_4)","Reference(m/z)":"119.017009","Retention time":"1.54416381","InHouse_CAS":"CD*,*CD*,*CD*,*InHouse"},{"Metabolite":"Maleic acid(13C_4)","Reference(m/z)":"119.0170021","Retention time":"2.595627813","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Biacetyl(None)","Reference(m/z)":"85.02937055","Retention time":"5.429855589","InHouse_CAS":"CD"},{"Metabolite":"Biacetyl(13C_1)","Reference(m/z)":"86.03277304","Retention time":"5.42725778","InHouse_CAS":"CD"},{"Metabolite":"Biacetyl(13C_2)","Reference(m/z)":"87.03606014","Retention time":"5.4178964","InHouse_CAS":"CD"},{"Metabolite":"Biacetyl(13C_3)","Reference(m/z)":"88.03967682","Retention time":"5.437893175","InHouse_CAS":"CD"},{"Metabolite":"2-Ketobutyric acid(None)","Reference(m/z)":"101.0243308","Retention time":"1.672186939","InHouse_CAS":"CD"},{"Metabolite":"2-Ketobutyric acid(13C_1)","Reference(m/z)":"102.027749","Retention time":"1.6726466","InHouse_CAS":"CD"},{"Metabolite":"2-Ketobutyric acid(13C_2)","Reference(m/z)":"103.0309977","Retention time":"1.631948","InHouse_CAS":"CD"},{"Metabolite":"2-Ketobutyric acid(13C_4)","Reference(m/z)":"105.0377576","Retention time":"1.66904567","InHouse_CAS":"CD"},{"Metabolite":"Succinate(None)","Reference(m/z)":"117.0194526","Retention time":"4.8938705","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Succinate(13C_1)","Reference(m/z)":"118.022695","Retention time":"4.896525686","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Succinate(13C_2)","Reference(m/z)":"119.0261619","Retention time":"4.8938705","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Succinate(13C_3)","Reference(m/z)":"120.029487","Retention time":"4.8938705","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Succinate(13C_4)","Reference(m/z)":"121.0327673","Retention time":"4.8956436","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Malate(None)","Reference(m/z)":"133.0144459","Retention time":"1.523125519","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Malate(13C_1)","Reference(m/z)":"134.0174638","Retention time":"1.543798269","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Malate(13C_2)","Reference(m/z)":"135.0207688","Retention time":"1.545394326","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Malate(13C_3)","Reference(m/z)":"136.0242312","Retention time":"1.52802546","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Malate(13C_4)","Reference(m/z)":"137.0270124","Retention time":"1.52784456","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Timonacic(None)","Reference(m/z)":"132.0124787","Retention time":"6.148585244","InHouse_CAS":"CD"},{"Metabolite":"Aspartic acid(None)","Reference(m/z)":"132.0303457","Retention time":"7.4222925","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Aspartic acid(13C_1)","Reference(m/z)":"133.0333224","Retention time":"7.4266757","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Aspartic acid(13C_2)","Reference(m/z)":"134.0368644","Retention time":"7.4246488","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Aspartic acid(13C_3)","Reference(m/z)":"135.0401661","Retention time":"7.4222925","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Aspartic acid(13C_4)","Reference(m/z)":"136.0435242","Retention time":"7.427013563","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"(R)-2-Hydroxybutyric acid*,*3-Hydroxybutyric acid(None)","Reference(m/z)":"103.0399217","Retention time":"4.31529344","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"L-Threonic acid(None)","Reference(m/z)":"135.02995","Retention time":"1.115030927","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Threonic acid(13C_1)","Reference(m/z)":"136.033149","Retention time":"1.09797","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Methyl [(methylsulfonyl)oxy]acetate(None)","Reference(m/z)":"167.0020746","Retention time":"5.752370742","InHouse_CAS":"CD"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(None)","Reference(m/z)":"102.0559427","Retention time":"7.264352","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_2)","Reference(m/z)":"104.0628166","Retention time":"7.2750902","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_3)","Reference(m/z)":"105.0659749","Retention time":"7.2653063","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"DL-3-Aminoisobutyric acid*,*L-alpha-Amino-n-butyric acid(13C_4)","Reference(m/z)":"106.0692715","Retention time":"7.2653063","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Threonine(None)","Reference(m/z)":"118.0506746","Retention time":"6.916641572","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Erythrose, 4-phosphate(None)","Reference(m/z)":"199.0015136","Retention time":"4.1286222","InHouse_CAS":"CD"},{"Metabolite":"Valine(None)","Reference(m/z)":"116.0717171","Retention time":"1.667642544","InHouse_CAS":"CD"},{"Metabolite":"Glycerylphosphorylethanolamine(None)","Reference(m/z)":"214.0483515","Retention time":"7.3515721","InHouse_CAS":"CD"},{"Metabolite":"2,4-Dichloro-5-pyrimidinecarbonitrile(None)","Reference(m/z)":"171.9469841","Retention time":"4.61820575","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Orotic acid(None)","Reference(m/z)":"155.0098971","Retention time":"5.7516715","InHouse_CAS":"CD"},{"Metabolite":"Orotic acid(13C_1)","Reference(m/z)":"156.0133076","Retention time":"5.7542727","InHouse_CAS":"CD"},{"Metabolite":"Orotic acid(13C_2)","Reference(m/z)":"157.0159929","Retention time":"5.7498921","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Orotic acid(13C_3)","Reference(m/z)":"158.0197277","Retention time":"5.7441427","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Orotic acid(13C_4)","Reference(m/z)":"159.023159","Retention time":"5.7441427","InHouse_CAS":"CD"},{"Metabolite":"Xanthine(None)","Reference(m/z)":"151.026183","Retention time":"5.2510372","InHouse_CAS":"InHouse"},{"Metabolite":"Itaconic acid(None)","Reference(m/z)":"129.0193461","Retention time":"5.435964532","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Itaconic acid(13C_1)","Reference(m/z)":"130.0226313","Retention time":"5.423445767","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Itaconic acid(13C_2)","Reference(m/z)":"131.026143","Retention time":"5.432512305","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Itaconic acid(13C_3)","Reference(m/z)":"132.0296672","Retention time":"5.4156873","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Itaconic acid(13C_4)","Reference(m/z)":"133.0327686","Retention time":"5.43653242","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"alpha-Ketoglutarate(None)","Reference(m/z)":"145.0142105","Retention time":"6.57743497","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"alpha-ketoglutarate(None)","Reference(m/z)":"145.0142855","Retention time":"1.671033126","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"alpha-ketoglutarate(13C_1)","Reference(m/z)":"146.0175569","Retention time":"1.641377","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"alpha-ketoglutarate(13C_2)","Reference(m/z)":"147.0209439","Retention time":"1.661020125","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"alpha-Ketoglutarate(13C_3)","Reference(m/z)":"148.0242408","Retention time":"6.560351714","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"alpha-ketoglutarate(13C_3)","Reference(m/z)":"148.0241213","Retention time":"1.6422562","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"alpha-ketoglutarate(13C_4)","Reference(m/z)":"149.0275941","Retention time":"1.6343537","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"alpha-Ketoglutarate(13C_4)","Reference(m/z)":"149.0279311","Retention time":"6.5531732","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"alpha-ketoglutarate(13C_5)","Reference(m/z)":"150.0309121","Retention time":"1.67443335","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"alpha-Ketoglutarate(13C_5)","Reference(m/z)":"150.0309938","Retention time":"6.62828696","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"4-Oxoproline(None)","Reference(m/z)":"128.0353534","Retention time":"1.107720047","InHouse_CAS":"CD*,*CD"},{"Metabolite":"L-Pyroglutamic acid(None)","Reference(m/z)":"128.035381","Retention time":"5.041449753","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"4-Oxoproline(13C_1)","Reference(m/z)":"129.0385947","Retention time":"1.1088866","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"L-Pyroglutamic acid(13C_1)","Reference(m/z)":"129.0385197","Retention time":"5.077831","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"4-Oxoproline(13C_2)","Reference(m/z)":"130.0421226","Retention time":"1.106014613","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"L-Pyroglutamic acid(13C_2)","Reference(m/z)":"130.0417891","Retention time":"5.042957","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"L-Pyroglutamic acid(13C_3)","Reference(m/z)":"131.0452641","Retention time":"5.047732344","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"4-Oxoproline(13C_3)","Reference(m/z)":"131.045494","Retention time":"1.107395764","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"L-Pyroglutamic acid(13C_4)","Reference(m/z)":"132.048766","Retention time":"5.04246582","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"4-Oxoproline(13C_4)","Reference(m/z)":"132.0486394","Retention time":"1.108377756","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"4-Oxoproline(13C_5)","Reference(m/z)":"133.0522219","Retention time":"1.114218179","InHouse_CAS":"CD*,*CD*,*CD*,*CD*,*CD*,*CD*,*CD*,*CD*,*CD"},{"Metabolite":"L-Pyroglutamic acid(13C_5)","Reference(m/z)":"133.0520181","Retention time":"5.041182363","InHouse_CAS":"CD*,*CD*,*InHouse*,*InHouse*,*CD*,*CD*,*InHouse*,*InHouse"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(None)","Reference(m/z)":"228.048728","Retention time":"7.2619935","InHouse_CAS":"CD"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_1)","Reference(m/z)":"229.0520977","Retention time":"7.2667081","InHouse_CAS":"CD"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_3)","Reference(m/z)":"231.0592181","Retention time":"7.2653063","InHouse_CAS":"CD"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_4)","Reference(m/z)":"232.0623487","Retention time":"7.2653063","InHouse_CAS":"CD"},{"Metabolite":"4-Nitro-1H-pyrazole-3,5-dicarbohydrazide(13C_5)","Reference(m/z)":"233.0652881","Retention time":"7.2629501","InHouse_CAS":"CD"},{"Metabolite":"Ureidosuccinic acid(None)","Reference(m/z)":"175.0360642","Retention time":"1.506886618","InHouse_CAS":"CD"},{"Metabolite":"Ureidosuccinic acid(13C_1)","Reference(m/z)":"176.039423","Retention time":"1.4967523","InHouse_CAS":"CD"},{"Metabolite":"Ureidosuccinic acid(13C_3)","Reference(m/z)":"178.0458735","Retention time":"1.4967937","InHouse_CAS":"CD"},{"Metabolite":"Ureidosuccinic acid(13C_4)","Reference(m/z)":"179.0493009","Retention time":"1.51148365","InHouse_CAS":"CD"},{"Metabolite":"Ureidosuccinic acid(13C_5)","Reference(m/z)":"180.053194","Retention time":"1.4951415","InHouse_CAS":"CD"},{"Metabolite":"Methyl acetoacetate*,*Levulinic acid(None)","Reference(m/z)":"115.0400823","Retention time":"4.751076267","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Methyl acetoacetate*,*Levulinic acid(13C_1)","Reference(m/z)":"116.0433555","Retention time":"4.7357035","InHouse_CAS":"CD*,*InHouse*,*CD*,*InHouse"},{"Metabolite":"Glutaric acid(None)","Reference(m/z)":"131.0348983","Retention time":"9.49911961","InHouse_CAS":"CD"},{"Metabolite":"Glutaric acid(13C_1)","Reference(m/z)":"132.0384977","Retention time":"9.4887374","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Glutaric acid(13C_2)","Reference(m/z)":"133.0415966","Retention time":"9.5498957","InHouse_CAS":"CD"},{"Metabolite":"2-Hydroxy glutaric acid(None)","Reference(m/z)":"147.0298797","Retention time":"5.731729778","InHouse_CAS":"CD"},{"Metabolite":"2-Hydroxy glutaric acid(13C_1)","Reference(m/z)":"148.0332055","Retention time":"5.73794305","InHouse_CAS":"CD"},{"Metabolite":"2-Hydroxy glutaric acid(13C_3)","Reference(m/z)":"150.0398369","Retention time":"5.72452731","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-Hydroxy glutaric acid(13C_4)","Reference(m/z)":"151.0434432","Retention time":"5.7327959","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-Hydroxy glutaric acid(13C_5)","Reference(m/z)":"152.0465581","Retention time":"5.7064262","InHouse_CAS":"CD"},{"Metabolite":"(2Z)-2-[(Sulfooxy)methyl]-2-butenoic acid(None)","Reference(m/z)":"194.9968765","Retention time":"1.495349538","InHouse_CAS":"CD"},{"Metabolite":"L-Proline(None)","Reference(m/z)":"114.0559755","Retention time":"6.407806411","InHouse_CAS":"CD"},{"Metabolite":"L-Proline(13C_5)","Reference(m/z)":"119.0727806","Retention time":"6.4369468","InHouse_CAS":"CD"},{"Metabolite":"Aminolevulinic acid(None)","Reference(m/z)":"130.0509299","Retention time":"6.66081905","InHouse_CAS":"CD"},{"Metabolite":"trans-4-Hydroxy-L-Proline(None)","Reference(m/z)":"130.0509431","Retention time":"5.953892216","InHouse_CAS":"InHouse"},{"Metabolite":"N-Acetylalanine(None)","Reference(m/z)":"130.050987","Retention time":"4.726133764","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"N-Acetylalanine(13C_1)","Reference(m/z)":"131.054373","Retention time":"4.7273183","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"N-Acetylalanine(13C_2)","Reference(m/z)":"132.0577326","Retention time":"4.7223549","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"N-Acetyl-L-cysteine(None)","Reference(m/z)":"162.0233693","Retention time":"4.730769913","InHouse_CAS":"CD"},{"Metabolite":"N-Acetyl-L-cysteine(13C_1)","Reference(m/z)":"163.0265056","Retention time":"4.730842022","InHouse_CAS":"CD*,*CD"},{"Metabolite":"N-Acetyl-L-cysteine(13C_2)","Reference(m/z)":"164.0293732","Retention time":"4.732079","InHouse_CAS":"CD*,*CD"},{"Metabolite":"O-Acetylserine(None)","Reference(m/z)":"146.0459821","Retention time":"5.707830329","InHouse_CAS":"CD*,*CD"},{"Metabolite":"O-Acetylserine(13C_1)","Reference(m/z)":"147.0486389","Retention time":"5.7320715","InHouse_CAS":"CD*,*CD"},{"Metabolite":"4-Methyl-2-oxovaleric acid(None)","Reference(m/z)":"129.0556095","Retention time":"11.21051433","InHouse_CAS":"CD*,*CD"},{"Metabolite":"(Hydroxyethyl)methacrylate*,*6-Oxohexanoic acid*,*4-Methyl-2-oxovaleric acid(None)","Reference(m/z)":"129.0557392","Retention time":"11.897261","InHouse_CAS":"CD*,*CD*,*CD*,*InHouse"},{"Metabolite":"6-Oxohexanoic acid(None)","Reference(m/z)":"129.055738","Retention time":"4.507646633","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"4-Methyl-2-oxovaleric acid(13C_1)","Reference(m/z)":"130.0590366","Retention time":"11.289406","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"6-Oxohexanoic acid(13C_1)","Reference(m/z)":"130.0591511","Retention time":"4.5212167","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Adipic acid(None)","Reference(m/z)":"145.0506789","Retention time":"11.69328952","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Adipic acid(13C_1)","Reference(m/z)":"146.0540013","Retention time":"11.663536","InHouse_CAS":"CD*,*InHouse*,*CD*,*InHouse"},{"Metabolite":"Diethylpyrocarbonate(None)","Reference(m/z)":"161.0457993","Retention time":"7.19765127","InHouse_CAS":"CD"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(None)","Reference(m/z)":"161.0455714","Retention time":"5.008149081","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(13C_1)","Reference(m/z)":"162.048879","Retention time":"4.9850015","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(13C_2)","Reference(m/z)":"163.0522432","Retention time":"5.016815706","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxy-3-methylglutaric acid(13C_4)","Reference(m/z)":"165.058983","Retention time":"5.0032075","InHouse_CAS":"CD*,*CD"},{"Metabolite":"fMet(None)","Reference(m/z)":"176.0388927","Retention time":"10.5002516","InHouse_CAS":"CD"},{"Metabolite":"L-alpha-Aminoadipic acid(None)","Reference(m/z)":"160.0616598","Retention time":"1.303985294","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"L-alpha-Aminoadipic acid(13C_1)","Reference(m/z)":"161.0649858","Retention time":"1.3522749","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Hexanoic acid(None)","Reference(m/z)":"115.0764164","Retention time":"13.49117554","InHouse_CAS":"CD"},{"Metabolite":"Hexanoic acid(13C_1)","Reference(m/z)":"116.0797568","Retention time":"13.4527","InHouse_CAS":"CD*,*CD"},{"Metabolite":"6-Hydroxycaproic acid(None)","Reference(m/z)":"131.0713241","Retention time":"13.15988676","InHouse_CAS":"CD"},{"Metabolite":"Fructose(None)","Reference(m/z)":"179.0560541","Retention time":"6.66957052","InHouse_CAS":"InHouse"},{"Metabolite":"Glucose(None)","Reference(m/z)":"179.0560172","Retention time":"6.795258927","InHouse_CAS":"CD*,*InHouse*,*InHouse"},{"Metabolite":"D-(-)-Fructose*,*Hexose(None)","Reference(m/z)":"179.0560469","Retention time":"7.194700975","InHouse_CAS":"CD*,*CD"},{"Metabolite":"D-(-)-Fructose*,*Hexose(13C_1)","Reference(m/z)":"180.0595525","Retention time":"7.1851871","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Gluconic acid(None)","Reference(m/z)":"195.0510027","Retention time":"1.098382045","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Citrulline(None)","Reference(m/z)":"174.0884266","Retention time":"1.14463666","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"6-Phosphogluconate(6PG)(None)","Reference(m/z)":"275.0166722","Retention time":"8.004011747","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"6-Phosphogluconate(6PG)(13C_1)","Reference(m/z)":"276.0203151","Retention time":"8.01669118","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"D-Glucose-6-Phosphate(G6P)(None)","Reference(m/z)":"259.0216338","Retention time":"7.899470711","InHouse_CAS":"InHouse"},{"Metabolite":"D-Fructose-6-Phosphate(F6P)(None)","Reference(m/z)":"259.0218997","Retention time":"7.6267119","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"D-fructose-1,6-bisphosphate (F1, 6BP)(None)","Reference(m/z)":"338.9883164","Retention time":"8.38431434","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"D-fructose-1,6-bisphosphate (F1, 6BP)(13C_1)","Reference(m/z)":"339.9918359","Retention time":"8.38092546","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Sorbitol(None)","Reference(m/z)":"181.0716688","Retention time":"6.5147026","InHouse_CAS":"InHouse"},{"Metabolite":"Glycerophosphoglycerol(None)","Reference(m/z)":"245.0430109","Retention time":"1.098606505","InHouse_CAS":"CD"},{"Metabolite":"2,4-Dinitrophenol(None)","Reference(m/z)":"183.0046191","Retention time":"16.783395","InHouse_CAS":"CD"},{"Metabolite":"3-Hydroxypicolinic acid(None)","Reference(m/z)":"138.0196935","Retention time":"15.74394584","InHouse_CAS":"CD"},{"Metabolite":"3-Hydroxypicolinic acid(13C_1)","Reference(m/z)":"139.0231076","Retention time":"15.7187752","InHouse_CAS":"CD*,*CD"},{"Metabolite":"4-nitrocatechol(None)","Reference(m/z)":"154.0145236","Retention time":"13.80576613","InHouse_CAS":"CD"},{"Metabolite":"Benzenol(None)","Reference(m/z)":"93.03445382","Retention time":"15.59438928","InHouse_CAS":"CD"},{"Metabolite":"cis-Aconitate(None)","Reference(m/z)":"173.009153","Retention time":"5.433334214","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"cis-Aconitate(13C_1)","Reference(m/z)":"174.012478","Retention time":"5.435894789","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"cis-Aconitate(13C_2)","Reference(m/z)":"175.0157757","Retention time":"5.438862188","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"cis-Aconitate(13C_3)","Reference(m/z)":"176.019231","Retention time":"5.427172078","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"cis-Aconitate(13C_4)","Reference(m/z)":"177.0223842","Retention time":"5.436172405","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"cis-Aconitate(13C_5)","Reference(m/z)":"178.0259158","Retention time":"5.440027454","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Glucuronolactone*,*Vitamin C(None)","Reference(m/z)":"175.0247851","Retention time":"5.224999288","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Glucuronolactone*,*Vitamin C(13C_1)","Reference(m/z)":"176.0283011","Retention time":"5.2679768","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Citrate(None)","Reference(m/z)":"191.0197613","Retention time":"2.571618636","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Isocitrate(None)","Reference(m/z)":"191.0196363","Retention time":"1.86","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"Citrate(13C_1)","Reference(m/z)":"192.0230003","Retention time":"2.590609775","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Isocitrate(13C_1)","Reference(m/z)":"192.0229041","Retention time":"1.86","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"Citrate(13C_2)","Reference(m/z)":"193.0261323","Retention time":"2.5687978","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Isocitrate(13C_2)","Reference(m/z)":"193.0260045","Retention time":"1.86","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"Citrate(13C_3)","Reference(m/z)":"194.0293796","Retention time":"2.666618856","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Isocitrate(13C_3)","Reference(m/z)":"194.0295719","Retention time":"1.86","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"Isocitrate(13C_4)","Reference(m/z)":"195.0326784","Retention time":"1.86","InHouse_CAS":"InHouse*,*InHouse*,*InHouse*,*InHouse*,*InHouse"},{"Metabolite":"Citrate(13C_4)","Reference(m/z)":"195.0326752","Retention time":"2.67158176","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Citrate(13C_5)","Reference(m/z)":"196.0365121","Retention time":"2.668284367","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"Isocitrate(13C_5)","Reference(m/z)":"196.0364989","Retention time":"1.86","InHouse_CAS":"InHouse*,*InHouse"},{"Metabolite":"2-(2-oxomorpholino)acetic acid(None)","Reference(m/z)":"158.0458649","Retention time":"1.31906619","InHouse_CAS":"CD"},{"Metabolite":"N-Acetylaspartic acid(None)","Reference(m/z)":"174.0408145","Retention time":"6.661914067","InHouse_CAS":"CD*,*CD"},{"Metabolite":"N-Acetylaspartic acid(13C_3)","Reference(m/z)":"177.0504035","Retention time":"6.6544684","InHouse_CAS":"CD*,*CD"},{"Metabolite":"N-Acetylaspartic acid(13C_4)","Reference(m/z)":"178.0540046","Retention time":"6.6582558","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Histidine(None)","Reference(m/z)":"154.0622058","Retention time":"8.692412","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"N-Acetyl-L-glutamic acid(None)","Reference(m/z)":"188.05649","Retention time":"5.69918772","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_1)","Reference(m/z)":"189.059873","Retention time":"5.695097","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_3)","Reference(m/z)":"191.0657461","Retention time":"5.7222073","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_5)","Reference(m/z)":"193.0728893","Retention time":"5.708273889","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"N-Acetyl-L-glutamic acid(13C_7)","Reference(m/z)":"195.0795226","Retention time":"5.7064934","InHouse_CAS":"CD*,*CD*,*InHouse*,*CD*,*CD*,*InHouse"},{"Metabolite":"2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(None)","Reference(m/z)":"236.0235488","Retention time":"1.4040941","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_3)","Reference(m/z)":"239.0331446","Retention time":"1.3883154","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid(13C_4)","Reference(m/z)":"240.0365158","Retention time":"1.3930714","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"Asp-Ala(None)","Reference(m/z)":"203.0671382","Retention time":"1.312052883","InHouse_CAS":"CD"},{"Metabolite":"D-gamma-Glu-Gly(None)","Reference(m/z)":"203.0671637","Retention time":"6.24616275","InHouse_CAS":"CD"},{"Metabolite":"D-gamma-Glu-Gly(13C_2)","Reference(m/z)":"205.07323","Retention time":"6.254267","InHouse_CAS":"CD"},{"Metabolite":"Asp-Ala(13C_5)","Reference(m/z)":"208.0840466","Retention time":"1.2933866","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Methyladipic acid(None)","Reference(m/z)":"159.0663165","Retention time":"12.15024577","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(None)","Reference(m/z)":"190.0543679","Retention time":"4.463488438","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-(acetylamino)-4-(methylthio)butanoic acid*,*Acetyl-L-methionine(13C_2)","Reference(m/z)":"192.0606324","Retention time":"4.4625305","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(None)","Reference(m/z)":"190.0720049","Retention time":"5.42555208","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid*,*Calystegine C1(13C_1)","Reference(m/z)":"191.0753326","Retention time":"5.4221759","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxyheptanoic acid(None)","Reference(m/z)":"145.0870159","Retention time":"15.64274018","InHouse_CAS":"CD"},{"Metabolite":"3-Hydroxyheptanoic acid(13C_1)","Reference(m/z)":"146.0903431","Retention time":"15.60077013","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2,3,4,5,6,7-Hexahydroxyheptanoic acid(None)","Reference(m/z)":"225.061348","Retention time":"7.20334403","InHouse_CAS":"CD"},{"Metabolite":"2,3,4,5,6,7-Hexahydroxyheptanoic acid(13C_1)","Reference(m/z)":"226.0645617","Retention time":"7.1932117","InHouse_CAS":"CD"},{"Metabolite":"1-Deoxy-1-(methylamino)hexitol(None)","Reference(m/z)":"194.1034431","Retention time":"4.5117876","InHouse_CAS":"CD"},{"Metabolite":"2,6-Dichloro-4-(trifluoromethyl)aniline(None)","Reference(m/z)":"227.9603524","Retention time":"5.050535647","InHouse_CAS":"CD"},{"Metabolite":"2,6-Dichloro-4-(trifluoromethyl)aniline(13C_5)","Reference(m/z)":"232.9767806","Retention time":"5.051172811","InHouse_CAS":"CD"},{"Metabolite":"Quinolinic Acid(None)","Reference(m/z)":"166.0145377","Retention time":"15.7924974","InHouse_CAS":"CD"},{"Metabolite":"Quinolinic Acid(13C_1)","Reference(m/z)":"167.0180833","Retention time":"15.765807","InHouse_CAS":"CD*,*CD"},{"Metabolite":"5-Hydroxy-2-nitrobenzoic acid(None)","Reference(m/z)":"182.0095547","Retention time":"14.82651827","InHouse_CAS":"CD"},{"Metabolite":"Dinitro-ortho-cresol(None)","Reference(m/z)":"197.0200203","Retention time":"17.66595744","InHouse_CAS":"CD"},{"Metabolite":"4-Hydroxybenzaldehyde(None)","Reference(m/z)":"121.0295283","Retention time":"11.99691982","InHouse_CAS":"CD"},{"Metabolite":"4-Hydroxybenzaldehyde(13C_1)","Reference(m/z)":"122.0329093","Retention time":"11.978756","InHouse_CAS":"CD"},{"Metabolite":"Salicylic acid(None)","Reference(m/z)":"137.0243922","Retention time":"15.59389789","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Salicylic acid(13C_1)","Reference(m/z)":"138.0276477","Retention time":"15.677977","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"3-Hydroxyanthranilic acid(None)","Reference(m/z)":"152.0353148","Retention time":"17.14148647","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"3-Hydroxyanthranilic acid(13C_1)","Reference(m/z)":"153.0388052","Retention time":"17.10474675","InHouse_CAS":"CD*,*CD*,*CD"},{"Metabolite":"1-Oxo-1,2,4-butanetricarboxylic acid(None)","Reference(m/z)":"203.020493","Retention time":"1.0658254","InHouse_CAS":"CD"},{"Metabolite":"1-Oxo-1,2,4-butanetricarboxylic acid(13C_4)","Reference(m/z)":"207.0332471","Retention time":"1.0682566","InHouse_CAS":"CD"},{"Metabolite":"1-Oxo-1,2,4-butanetricarboxylic acid(13C_5)","Reference(m/z)":"208.0371118","Retention time":"1.070281933","InHouse_CAS":"CD"},{"Metabolite":"2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(None)","Reference(m/z)":"200.0562549","Retention time":"5.1228067","InHouse_CAS":"CD"},{"Metabolite":"2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_3)","Reference(m/z)":"203.0663973","Retention time":"5.1251651","InHouse_CAS":"CD"},{"Metabolite":"2-Methyl-2-propanyl 2,5-dioxo-1,3-oxazolidine-3-carboxylate(13C_5)","Reference(m/z)":"205.0725262","Retention time":"5.1228067","InHouse_CAS":"CD"},{"Metabolite":"2-Acetamido-2-deoxy-D-gluconolactone(None)","Reference(m/z)":"218.0668266","Retention time":"6.480184286","InHouse_CAS":"CD"},{"Metabolite":"2-Acetamido-2-deoxy-D-gluconolactone(13C_1)","Reference(m/z)":"219.0700236","Retention time":"6.4485432","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2-Acetamido-2-deoxy-D-gluconolactone(13C_5)","Reference(m/z)":"223.0833823","Retention time":"6.4574341","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Suberic acid(None)","Reference(m/z)":"173.0818935","Retention time":"13.85777641","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Suberic acid(13C_1)","Reference(m/z)":"174.0852646","Retention time":"13.8413638","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"(2E)-4,5,7-Trihydroxy-2-octenoic acid(None)","Reference(m/z)":"189.0767349","Retention time":"13.5999076","InHouse_CAS":"CD"},{"Metabolite":"3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(None)","Reference(m/z)":"159.1026421","Retention time":"16.26609511","InHouse_CAS":"CD*,*CD"},{"Metabolite":"3-Hydroxyoctanoic acid*,*Methyl 3-hydroxyheptanoate(13C_1)","Reference(m/z)":"160.1060379","Retention time":"16.250005","InHouse_CAS":"CD*,*CD"},{"Metabolite":"2,3,4,5,6,7,8-Heptahydroxyoctanal(None)","Reference(m/z)":"239.0768999","Retention time":"7.214069736","InHouse_CAS":"CD"},{"Metabolite":"2,3,4,5,6,7,8-Heptahydroxyoctanal(13C_1)","Reference(m/z)":"240.080255","Retention time":"7.1875433","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Methyl 3,5-dinitrosalicylate(None)","Reference(m/z)":"241.0103329","Retention time":"4.222437576","InHouse_CAS":"CD*;*CD"},{"Metabolite":"3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(None)","Reference(m/z)":"165.0191646","Retention time":"7.7955028","InHouse_CAS":"CD"},{"Metabolite":"Phthalic acid(None)","Reference(m/z)":"165.0192467","Retention time":"6.693780756","InHouse_CAS":"CD"},{"Metabolite":"Terephthalic acid(None)","Reference(m/z)":"165.0192868","Retention time":"12.21397343","InHouse_CAS":"CD"},{"Metabolite":"Terephthalic acid(13C_1)","Reference(m/z)":"166.0222221","Retention time":"12.240632","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Phthalic acid(13C_8)","Reference(m/z)":"173.0455818","Retention time":"6.6513131","InHouse_CAS":"CD"},{"Metabolite":"3-Methyl-4H-furo[3,2-c]pyran-4,6(7H)-dione(13C_8)","Reference(m/z)":"173.0454642","Retention time":"7.8002195","InHouse_CAS":"CD"},{"Metabolite":"2-Amino-6-methylsulfonylbenzothiazole(None)","Reference(m/z)":"226.9948469","Retention time":"4.73112795","InHouse_CAS":"CD"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(None)","Reference(m/z)":"231.0143741","Retention time":"2.5630235","InHouse_CAS":"CD"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_3)","Reference(m/z)":"234.0244946","Retention time":"2.5712707","InHouse_CAS":"CD"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_4)","Reference(m/z)":"235.0275194","Retention time":"2.6329138","InHouse_CAS":"CD"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_5)","Reference(m/z)":"236.0321703","Retention time":"2.5842229","InHouse_CAS":"CD"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_7)","Reference(m/z)":"238.0382877","Retention time":"2.5968311","InHouse_CAS":"CD"},{"Metabolite":"2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinate(13C_8)","Reference(m/z)":"239.0412873","Retention time":"2.6015457","InHouse_CAS":"CD"},{"Metabolite":"2,6-Dimethylbenzenesulfonyl Chloride(None)","Reference(m/z)":"202.9940951","Retention time":"4.22145945","InHouse_CAS":"CD"},{"Metabolite":"2,6-Dimethylbenzenesulfonyl Chloride(13C_4)","Reference(m/z)":"207.0080025","Retention time":"4.2419036","InHouse_CAS":"CD"},{"Metabolite":"4-Pyridoxic acid*,*5-pyridoxic acid(None)","Reference(m/z)":"182.0459113","Retention time":"15.39110943","InHouse_CAS":"CD*,*CD"},{"Metabolite":"DL-p-Hydroxyphenyllactic acid(None)","Reference(m/z)":"181.0505163","Retention time":"10.93365968","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"DL-p-Hydroxyphenyllactic acid(13C_8)","Reference(m/z)":"189.0765268","Retention time":"10.916095","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Pseudouridine(None)","Reference(m/z)":"243.0617056","Retention time":"5.9088811","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"U,(Uridine)(None)","Reference(m/z)":"243.0619167","Retention time":"5.317884968","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"U,(Uridine)(13C_3)","Reference(m/z)":"246.0721182","Retention time":"5.2821854","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"U,(Uridine)(13C_5)","Reference(m/z)":"248.0787966","Retention time":"5.323083289","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(None)","Reference(m/z)":"183.0661934","Retention time":"13.81836932","InHouse_CAS":"CD"},{"Metabolite":"2-(Hydroxymethyl)-5-methoxy-4-methyl-1,3-benzenediol(13C_1)","Reference(m/z)":"184.0695633","Retention time":"13.790291","InHouse_CAS":"CD*,*CD"},{"Metabolite":"Uridine 5''-diphosphate (UDP)*,*UDP(None)","Reference(m/z)":"402.9943291","Retention time":"7.7766447","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Uridine 5''-diphosphate (UDP)*,*UDP(13C_1)","Reference(m/z)":"403.998119","Retention time":"7.7875895","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"Uridine 5''-diphosphate (UDP)*,*UDP(13C_3)","Reference(m/z)":"406.0040081","Retention time":"7.7823323","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"5-CMP*,*CMP(None)","Reference(m/z)":"322.0443965","Retention time":"1.5906062","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"5-CMP*,*CMP(13C_1)","Reference(m/z)":"323.0472752","Retention time":"1.5534085","InHouse_CAS":"CD*,*InHouse*,*CD*,*InHouse"},{"Metabolite":"cis-2-Carboxycyclohexyl-acetic acid(None)","Reference(m/z)":"185.081913","Retention time":"13.29035367","InHouse_CAS":"CD"},{"Metabolite":"1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(None)","Reference(m/z)":"482.9605647","Retention time":"1.388371562","InHouse_CAS":"CD"},{"Metabolite":"1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_3)","Reference(m/z)":"485.9700784","Retention time":"1.385634044","InHouse_CAS":"CD"},{"Metabolite":"1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2,4(1H,3H)-pyrimidinedione(13C_5)","Reference(m/z)":"487.9776636","Retention time":"1.387863847","InHouse_CAS":"CD"},{"Metabolite":"CDP(None)","Reference(m/z)":"402.0105692","Retention time":"1.198309771","InHouse_CAS":"InHouse"},{"Metabolite":"CTP(None)","Reference(m/z)":"481.9763913","Retention time":"1.1512144","InHouse_CAS":"InHouse"},{"Metabolite":"9-Oxononanoic acid(None)","Reference(m/z)":"171.1026226","Retention time":"15.59027368","InHouse_CAS":"CD"},{"Metabolite":"9-Oxononanoic acid(13C_1)","Reference(m/z)":"172.1059638","Retention time":"15.61683788","InHouse_CAS":"CD"},{"Metabolite":"Azelaic acid(None)","Reference(m/z)":"187.0975351","Retention time":"15.46357496","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"Azelaic acid(13C_1)","Reference(m/z)":"188.1008994","Retention time":"15.50104","InHouse_CAS":"CD*,*CD*,*InHouse"},{"Metabolite":"8-Amino-7-oxononanoic acid(None)","Reference(m/z)":"186.1135139","Retention time":"13.30646987","InHouse_CAS":"CD*,*CD"},{"Metabolite":"8-Amino-7-oxononanoic acid(13C_1)","Reference(m/z)":"187.1168489","Retention time":"13.266417","InHouse_CAS":"CD*,*CD*,*CD*,*CD"},{"Metabolite":"N-[(2S)-2-Hydroxypropanoyl]-L-leucine(None)","Reference(m/z)":"202.1083383","Retention time":"13.65454654","InHouse_CAS":"CD"},{"Metabolite":"Pantothenic acid(None)","Reference(m/z)":"218.1031621","Retention time":"4.807033173","InHouse_CAS":"CD*,*InHouse"},{"Metabolite":"3-Hydroxy-3-propylhexanoic acid(None)","Reference(m/z)":"173.1183043","Retention time":"17.17695747","InHouse_CAS":"CD"},{"Metabolite":"3-Hydroxy-3-propylhexanoic acid(13C_1)","Reference(m/z)":"174.1215842","Retention time":"17.233878","InHouse_CAS":"CD"},{"Metabolite":"Methyl 2-(dimethoxymethyl)-3-methylbutanoate(None)","Reference(m/z)":"189.113244","Retention time":"15.08903847","InHouse_CAS":"CD"},{"Metabolite":"Indole-3-aldehyde(None)","Reference(m/z)":"144.045569","Retention time":"15.11472469","InHouse_CAS":"InHouse"},{"Metabolite":"4-Hydroxyphenylpyruvic acid(None)","Reference(m/z)":"179.0350023","Retention time":"16.07343718","InHouse_CAS":"CD*,*CD"},{"Metabolite":"4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid(None)","Reference(m/z)":"179.0350245","Retention time":"14.07724815","InHouse_CAS":"CD"},{"Metabolite":"Phosphoric acid(None)","Reference(m/z)":"96.96957397","Retention time":"7.747676","InHouse_CAS":"CD"},{"Metabolite":"Pyrophosphoric Acid(None)","Reference(m/z)":"176.9358793","Retention time":"7.7429616","InHouse_CAS":"CD*,*CD"}]
}

}