{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001873","ANALYSIS_ID":"AN003035","VERSION":"1","CREATED_ON":"July 19, 2021, 11:14 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics analysis of multiple samples","PROJECT_SUMMARY":"Liquid chromatography–high resolution mass spectrometry (LC-HRMS) is the most popular platform for untargeted metabolomics methods, but annotating LC-HRMS data is a long-standing bottleneck that we are facing since years ago in metabolomics research. A wide variety of methods have been established to deal with the annotation issue. To date, however, there is a scarcity of efficient, systematic, and easy-to-handle tools that are tailored for metabolomics and exposome community. Herein, we developed a user-friendly and powerful stand-alone software, MetEx, to enable implementation of classical peak detection-based annotation and a brand-new annotation method based on targeted extraction algorithms. Especially the newly proposed annotation method of targeted extraction can identify more than 2 times more metabolites than traditional peak detection-based annotation methods because it reduces the loss of metabolite signal in the data preprocessing process.","INSTITUTE":"Dalian Institute of Chemical Physics","LABORATORY":"Laboratory of High Resolution Separation/Analysis and Metabonomics","LAST_NAME":"Zheng","FIRST_NAME":"Fujian","ADDRESS":"457 Zhongshan Road Dalian, China 116023, Dalian, Liaoning, 116021, China","EMAIL":"zhengfj@dicp.ac.cn","PHONE":"18698730176"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of multiple samples on AB 5600-Part 1","STUDY_SUMMARY":"Metabolomics analysis of multiple samples from human, trying to annotate the metabolites in them. AB SCIEX 5600+ was used for metabolomics detection.","INSTITUTE":"Dalian Institute Of Chemical Physics","LABORATORY":"Laboratory of High Resolution Separation/Analysis and Metabonomics","LAST_NAME":"Zheng","FIRST_NAME":"Fujian","ADDRESS":"No. 457 Zhongshan Road, Shahekou District, Dalian, Liaoning Province, China","EMAIL":"zhengfj@dicp.ac.cn","STUDY_TYPE":"Metabolomics","PHONE":"18698730176"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Blank-15V",
"Factors":{"Source":"Blank","MS2 CE":"15V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Blank-15V"}
},
{
"Subject ID":"-",
"Sample ID":"Blank-30V",
"Factors":{"Source":"Blank","MS2 CE":"30V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Blank-30V"}
},
{
"Subject ID":"-",
"Sample ID":"Blank-45V",
"Factors":{"Source":"Blank","MS2 CE":"45V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Blank-45V"}
},
{
"Subject ID":"-",
"Sample ID":"NIST SRM 1950-15V",
"Factors":{"Source":"Blood","MS2 CE":"15V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Blood-15V"}
},
{
"Subject ID":"-",
"Sample ID":"NIST SRM 1950-30V",
"Factors":{"Source":"Blood","MS2 CE":"30V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Blood-30V"}
},
{
"Subject ID":"-",
"Sample ID":"NIST SRM 1950-45V",
"Factors":{"Source":"Blood","MS2 CE":"45V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Blood-45V"}
},
{
"Subject ID":"-",
"Sample ID":"HepG2 cells-15V",
"Factors":{"Source":"Hep G2 cells","MS2 CE":"15V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"HepG2-15V"}
},
{
"Subject ID":"-",
"Sample ID":"HepG2 cells-30V",
"Factors":{"Source":"Hep G2 cells","MS2 CE":"30V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"HepG2-30V"}
},
{
"Subject ID":"-",
"Sample ID":"HepG2 cells-45V",
"Factors":{"Source":"Hep G2 cells","MS2 CE":"45V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"HepG2-45V"}
},
{
"Subject ID":"-",
"Sample ID":"Human urine-15V",
"Factors":{"Source":"Urine","MS2 CE":"15V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Urine-15V"}
},
{
"Subject ID":"-",
"Sample ID":"Human urine-30V",
"Factors":{"Source":"Urine","MS2 CE":"30V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Urine-30V"}
},
{
"Subject ID":"-",
"Sample ID":"Human urine-45V",
"Factors":{"Source":"Urine","MS2 CE":"45V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Urine-45V"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"NIST SRM 1950 was purchased from NIST, and HepG2 cells were purchased from the Chinese Tissue Culture Collections (CTCC, Shanghai, China). Urine was collected from volunteers. Six- to eight-week-old male C57BL/6 mice were fed a regular standard breeding diet and housed under standard pathogen-free (SPF) conditions. Faecal samples and liver tissue were collected and immediately stored at -80 °C for further analysis.","SAMPLE_TYPE":"Blood (plasma), Urine, HepG2 cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma (NIST SRM 1950): A 240 μL volume of Mix-IS-ACN was added to 60 μL of NIST SRM 1950 for protein precipitation. Then, the sample was vortexed for 60 s and centrifuged for 10 min at 15,000 g and 4 °C. Then, 250 μL of supernatant was transferred to a new centrifuge tube for lyophilization. The residue was reconstituted with 60 μL of 90% H2O/CH3OH (v/v). Urine: A 60 μL sample of urine was centrifuged for 10 min at 15,000 g and 4 °C, and the supernatant was transferred to a new centrifuge tube. Then, 30 μL Mix-IS-MeOH was added to the same centrifuge tube, and the mixture was thoroughly combined on a vortex mixer for 60 s. HepG2: HepG2 cells were purchased from the Chinese Tissue Culture Collections (CTCC, Shanghai, China) and cultured in Dulbecco’s modified Eagle’s medium (DMEM, Gibco) supplemented with 10% fetal bovine serum (FBS, Gibco), 100 IU/ml penicillin and 100 µg/ml streptomycin (Gibco). These cells were cultured at 37 °C in a humidified 5% CO2 atmosphere and treated within 24 hours after the confluence of cells reached 80%. The culture media of the cells was removed, and the cells were washed three times in phosphate-buffered saline (PBS). Then, the cells were quickly frozen in liquid nitrogen and stored at -80 °C before extraction. Then, 1 mL 80% CH3OH/H2O (v/v) was added to the cells, and the cells were scraped with extraction solvent. Both the extract and cell/debris suspension were transferred to a clean tube and thoroughly mixed on a vortex mixer for 120 s. Ultrasonication at 30 Hz for 2 × 10 s was performed. After being allowed to settle for 10 min, the cell extraction solution was centrifuged for 15 min at 15,000 g and 4 °C. Then, 800 μL of supernatant was transferred to a new centrifuge tube for lyophilization. The residue was reconstituted with 40 μL of Mix-IS-MeOH."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)","FLOW_RATE":"0.35 mL/min","COLUMN_TEMPERATURE":"50"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600+ TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The spray voltage was 5.5 kV and the source temperature was 550 °C, Curtain gas, gas 1 and gas 2 were set at 35, 55, and 55 psi, respectively. The data was processed by XCMS, MS-DIAL, MZmine 2 and MetEx."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"TRIMETHYLAMINE","Blank-15V":"1240","Blank-30V":"7093","Blank-45V":"7302","NIST SRM 1950-15V":"32570","NIST SRM 1950-30V":"38688","NIST SRM 1950-45V":"30786","HepG2 cells-15V":"39033","HepG2 cells-30V":"36077","HepG2 cells-45V":"34238","Human urine-15V":"3542","Human urine-30V":"3715","Human urine-45V":"2930"},{"Metabolite":"Pyrrolidine","Blank-15V":"9701","Blank-30V":"3571","Blank-45V":"3579","NIST SRM 1950-15V":"1179","NIST SRM 1950-30V":"4806","NIST SRM 1950-45V":"4069","HepG2 cells-15V":"66933","HepG2 cells-30V":"63635","HepG2 cells-45V":"64471","Human urine-15V":"5335","Human urine-30V":"4685","Human urine-45V":"6593"},{"Metabolite":"BUTANAL","Blank-15V":"3358","Blank-30V":"1468","Blank-45V":"1715","NIST SRM 1950-15V":"1090","NIST SRM 1950-30V":"5890","NIST SRM 1950-45V":"3061","HepG2 cells-15V":"954","HepG2 cells-30V":"1407","HepG2 cells-45V":"3761","Human urine-15V":"1337","Human urine-30V":"981","Human urine-45V":"2004"},{"Metabolite":"N,N-Dimethylformamide","Blank-15V":"3347","Blank-30V":"10561","Blank-45V":"8206","NIST SRM 1950-15V":"5249","NIST SRM 1950-30V":"5463","NIST SRM 1950-45V":"1854","HepG2 cells-15V":"5081","HepG2 cells-30V":"8116","HepG2 cells-45V":"6491","Human urine-15V":"6167","Human urine-30V":"6816","Human urine-45V":"6104"},{"Metabolite":"GLYCINE","Blank-15V":"325","Blank-30V":"162","Blank-45V":"199","NIST SRM 1950-15V":"2050","NIST SRM 1950-30V":"1417","NIST SRM 1950-45V":"1180","HepG2 cells-15V":"366","HepG2 cells-30V":"4774","HepG2 cells-45V":"1479","Human urine-15V":"15001","Human urine-30V":"18074","Human urine-45V":"15268"},{"Metabolite":"TRIMETHYLAMINE N-OXIDE","Blank-15V":"21","Blank-30V":"40","Blank-45V":"27","NIST SRM 1950-15V":"8324","NIST SRM 1950-30V":"10238","NIST SRM 1950-45V":"7973","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"259656","Human urine-30V":"246898","Human urine-45V":"254506"},{"Metabolite":"2-Aminoethanethiol","Blank-15V":"198","Blank-30V":"174","Blank-45V":"163","NIST SRM 1950-15V":"1575","NIST SRM 1950-30V":"1414","NIST SRM 1950-45V":"707","HepG2 cells-15V":"783","HepG2 cells-30V":"375","HepG2 cells-45V":"269","Human urine-15V":"97732","Human urine-30V":"97787","Human urine-45V":"89914"},{"Metabolite":"Dimethyl??sulfoxide","Blank-15V":"805","Blank-30V":"3012","Blank-45V":"6280","NIST SRM 1950-15V":"822","NIST SRM 1950-30V":"1880","NIST SRM 1950-45V":"2424","HepG2 cells-15V":"27093","HepG2 cells-30V":"26008","HepG2 cells-45V":"24351","Human urine-15V":"6180","Human urine-30V":"4188","Human urine-45V":"7621"},{"Metabolite":"Dimethyl sulfoxide","Blank-15V":"3725","Blank-30V":"15380","Blank-45V":"3697","NIST SRM 1950-15V":"692","NIST SRM 1950-30V":"1880","NIST SRM 1950-45V":"1317","HepG2 cells-15V":"14240","HepG2 cells-30V":"7598","HepG2 cells-45V":"7583","Human urine-15V":"659","Human urine-30V":"4318","Human urine-45V":"7621"},{"Metabolite":"Pyridine","Blank-15V":"12387","Blank-30V":"7359","Blank-45V":"5696","NIST SRM 1950-15V":"62782","NIST SRM 1950-30V":"53444","NIST SRM 1950-45V":"41940","HepG2 cells-15V":"4479","HepG2 cells-30V":"32277","HepG2 cells-45V":"6800","Human urine-15V":"44612","Human urine-30V":"5390","Human urine-45V":"4090"},{"Metabolite":"Pyrimidine","Blank-15V":"1573","Blank-30V":"1341","Blank-45V":"2040","NIST SRM 1950-15V":"41","NIST SRM 1950-30V":"390","NIST SRM 1950-45V":"1133","HepG2 cells-15V":"3078","HepG2 cells-30V":"905","HepG2 cells-45V":"4136","Human urine-15V":"550","Human urine-30V":"1804","Human urine-45V":"639"},{"Metabolite":"2-Pyrrolidinone; AIF; CE10; CorrDec","Blank-15V":"414","Blank-30V":"560","Blank-45V":"786","NIST SRM 1950-15V":"10877","NIST SRM 1950-30V":"13267","NIST SRM 1950-45V":"13598","HepG2 cells-15V":"8106","HepG2 cells-30V":"6473","HepG2 cells-45V":"11976","Human urine-15V":"246533","Human urine-30V":"250649","Human urine-45V":"265996"},{"Metabolite":"2-Methylpyrrolidine","Blank-15V":"146","Blank-30V":"159","Blank-45V":"127","NIST SRM 1950-15V":"880","NIST SRM 1950-30V":"649","NIST SRM 1950-45V":"420","HepG2 cells-15V":"2490","HepG2 cells-30V":"2382","HepG2 cells-45V":"2503","Human urine-15V":"31891","Human urine-30V":"31578","Human urine-45V":"27765"},{"Metabolite":"SARCOSINE","Blank-15V":"1257","Blank-30V":"1216","Blank-45V":"1390","NIST SRM 1950-15V":"3377","NIST SRM 1950-30V":"3756","NIST SRM 1950-45V":"3063","HepG2 cells-15V":"4257","HepG2 cells-30V":"2915","HepG2 cells-45V":"3420","Human urine-15V":"375","Human urine-30V":"911","Human urine-45V":"2111"},{"Metabolite":"beta-Alanine","Blank-15V":"21","Blank-30V":"33","Blank-45V":"17","NIST SRM 1950-15V":"317","NIST SRM 1950-30V":"36","NIST SRM 1950-45V":"17","HepG2 cells-15V":"19287","HepG2 cells-30V":"17166","HepG2 cells-45V":"17902","Human urine-15V":"882","Human urine-30V":"748","Human urine-45V":"1064"},{"Metabolite":"Aniline","Blank-15V":"596","Blank-30V":"215","Blank-45V":"416","NIST SRM 1950-15V":"12013","NIST SRM 1950-30V":"10441","NIST SRM 1950-45V":"11418","HepG2 cells-15V":"844","HepG2 cells-30V":"940","HepG2 cells-45V":"337","Human urine-15V":"19629","Human urine-30V":"21138","Human urine-45V":"19782"},{"Metabolite":"Aniline; AIF; CE30; CorrDec","Blank-15V":"271","Blank-30V":"678","Blank-45V":"407","NIST SRM 1950-15V":"3037","NIST SRM 1950-30V":"10738","NIST SRM 1950-45V":"11418","HepG2 cells-15V":"1681","HepG2 cells-30V":"3701","HepG2 cells-45V":"1962","Human urine-15V":"19539","Human urine-30V":"5464","Human urine-45V":"20322"},{"Metabolite":"4-Methylpyrimidine","Blank-15V":"235","Blank-30V":"253","Blank-45V":"226","NIST SRM 1950-15V":"407","NIST SRM 1950-30V":"858","NIST SRM 1950-45V":"1060","HepG2 cells-15V":"184","HepG2 cells-30V":"93","HepG2 cells-45V":"15","Human urine-15V":"13868","Human urine-30V":"15518","Human urine-45V":"14111"},{"Metabolite":"2-HYDROXYPYRIDINE","Blank-15V":"267","Blank-30V":"230","Blank-45V":"535","NIST SRM 1950-15V":"2061","NIST SRM 1950-30V":"2267","NIST SRM 1950-45V":"2194","HepG2 cells-15V":"1251","HepG2 cells-30V":"647","HepG2 cells-45V":"1463","Human urine-15V":"441","Human urine-30V":"2399","Human urine-45V":"731"},{"Metabolite":"Ortophosphate","Blank-15V":"15118","Blank-30V":"25617","Blank-45V":"28439","NIST SRM 1950-15V":"23","NIST SRM 1950-30V":"239","NIST SRM 1950-45V":"152","HepG2 cells-15V":"348654","HepG2 cells-30V":"351133","HepG2 cells-45V":"351344","Human urine-15V":"451","Human urine-30V":"336","Human urine-45V":"628"},{"Metabolite":"2-Piperidone","Blank-15V":"328","Blank-30V":"87","Blank-45V":"107","NIST SRM 1950-15V":"47478","NIST SRM 1950-30V":"45387","NIST SRM 1950-45V":"41567","HepG2 cells-15V":"2166","HepG2 cells-30V":"3299","HepG2 cells-45V":"492","Human urine-15V":"191877","Human urine-30V":"181568","Human urine-45V":"970560"},{"Metabolite":"5-VALEROLACTONE","Blank-15V":"546","Blank-30V":"374","Blank-45V":"731","NIST SRM 1950-15V":"110","NIST SRM 1950-30V":"71","NIST SRM 1950-45V":"662","HepG2 cells-15V":"306","HepG2 cells-30V":"104","HepG2 cells-45V":"24","Human urine-15V":"0","Human urine-30V":"442","Human urine-45V":"56"},{"Metabolite":"Hexylamine","Blank-15V":"24716","Blank-30V":"177378","Blank-45V":"176896","NIST SRM 1950-15V":"7368","NIST SRM 1950-30V":"4275","NIST SRM 1950-45V":"5715","HepG2 cells-15V":"31978","HepG2 cells-30V":"63460","HepG2 cells-45V":"32129","Human urine-15V":"3089","Human urine-30V":"11241","Human urine-45V":"7306"},{"Metabolite":"4-AMINOBUTANOIC ACID","Blank-15V":"119","Blank-30V":"61","Blank-45V":"169","NIST SRM 1950-15V":"471","NIST SRM 1950-30V":"2733","NIST SRM 1950-45V":"2468","HepG2 cells-15V":"2420","HepG2 cells-30V":"1130","HepG2 cells-45V":"2116","Human urine-15V":"75258","Human urine-30V":"107861","Human urine-45V":"106313"},{"Metabolite":"CHOLINE","Blank-15V":"1392","Blank-30V":"1453","Blank-45V":"10615","NIST SRM 1950-15V":"1521270","NIST SRM 1950-30V":"1568311","NIST SRM 1950-45V":"1471374","HepG2 cells-15V":"706264","HepG2 cells-30V":"673492","HepG2 cells-45V":"632074","Human urine-15V":"66301","Human urine-30V":"101330","Human urine-45V":"73017"},{"Metabolite":"BENZALDEHYDE","Blank-15V":"27","Blank-30V":"16","Blank-45V":"36","NIST SRM 1950-15V":"70037","NIST SRM 1950-30V":"69562","NIST SRM 1950-45V":"70992","HepG2 cells-15V":"11540","HepG2 cells-30V":"683","HepG2 cells-45V":"8947","Human urine-15V":"81637","Human urine-30V":"79157","Human urine-45V":"73694"},{"Metabolite":"Catechol","Blank-15V":"9","Blank-30V":"43","Blank-45V":"26","NIST SRM 1950-15V":"584","NIST SRM 1950-30V":"165","NIST SRM 1950-45V":"130","HepG2 cells-15V":"27","HepG2 cells-30V":"280","HepG2 cells-45V":"50","Human urine-15V":"22824","Human urine-30V":"22035","Human urine-45V":"20450"},{"Metabolite":"3-Aminophenol; LC-tDDA; CE10","Blank-15V":"212","Blank-30V":"118","Blank-45V":"173","NIST SRM 1950-15V":"32108","NIST SRM 1950-30V":"30684","NIST SRM 1950-45V":"32684","HepG2 cells-15V":"1243","HepG2 cells-30V":"136","HepG2 cells-45V":"624","Human urine-15V":"490","Human urine-30V":"4865","Human urine-45V":"2534"},{"Metabolite":"CYTOSINE","Blank-15V":"220","Blank-30V":"392","Blank-45V":"334","NIST SRM 1950-15V":"551","NIST SRM 1950-30V":"194","NIST SRM 1950-45V":"228","HepG2 cells-15V":"1647","HepG2 cells-30V":"316","HepG2 cells-45V":"181","Human urine-15V":"57524","Human urine-30V":"55542","Human urine-45V":"69076"},{"Metabolite":"URACIL","Blank-15V":"179","Blank-30V":"555","Blank-45V":"492","NIST SRM 1950-15V":"1955","NIST SRM 1950-30V":"2100","NIST SRM 1950-45V":"1004","HepG2 cells-15V":"4719","HepG2 cells-30V":"671","HepG2 cells-45V":"1149","Human urine-15V":"2513","Human urine-30V":"539","Human urine-45V":"2528"},{"Metabolite":"CREATININE","Blank-15V":"31","Blank-30V":"306","Blank-45V":"229","NIST SRM 1950-15V":"2772","NIST SRM 1950-30V":"6184","NIST SRM 1950-45V":"8220","HepG2 cells-15V":"76","HepG2 cells-30V":"3","HepG2 cells-45V":"54","Human urine-15V":"132090","Human urine-30V":"136811","Human urine-45V":"130468"},{"Metabolite":"GAMMA-CAPROLACTONE","Blank-15V":"46","Blank-30V":"55","Blank-45V":"81","NIST SRM 1950-15V":"935","NIST SRM 1950-30V":"1931","NIST SRM 1950-45V":"1144","HepG2 cells-15V":"404","HepG2 cells-30V":"239","HepG2 cells-45V":"575","Human urine-15V":"105554","Human urine-30V":"115529","Human urine-45V":"114440"},{"Metabolite":"L-Proline","Blank-15V":"70","Blank-30V":"78","Blank-45V":"164","NIST SRM 1950-15V":"4179","NIST SRM 1950-30V":"4815","NIST SRM 1950-45V":"4554","HepG2 cells-15V":"231","HepG2 cells-30V":"407","HepG2 cells-45V":"523","Human urine-15V":"875","Human urine-30V":"941","Human urine-45V":"1049"},{"Metabolite":"Proline","Blank-15V":"87","Blank-30V":"90","Blank-45V":"45","NIST SRM 1950-15V":"1183","NIST SRM 1950-30V":"436","NIST SRM 1950-45V":"2374","HepG2 cells-15V":"1756","HepG2 cells-30V":"1591","HepG2 cells-45V":"1471","Human urine-15V":"80306","Human urine-30V":"84923","Human urine-45V":"82206"},{"Metabolite":"3-METHYL-2-OXOBUTANOIC ACID","Blank-15V":"274","Blank-30V":"45","Blank-45V":"79","NIST SRM 1950-15V":"2042","NIST SRM 1950-30V":"1970","NIST SRM 1950-45V":"2987","HepG2 cells-15V":"5379","HepG2 cells-30V":"25229","HepG2 cells-45V":"18949","Human urine-15V":"8972","Human urine-30V":"5072","Human urine-45V":"6234"},{"Metabolite":"Glycocyamine","Blank-15V":"303","Blank-30V":"395","Blank-45V":"18","NIST SRM 1950-15V":"257","NIST SRM 1950-30V":"509","NIST SRM 1950-45V":"1817","HepG2 cells-15V":"1668","HepG2 cells-30V":"1429","HepG2 cells-45V":"2057","Human urine-15V":"167368","Human urine-30V":"141020","Human urine-45V":"153229"},{"Metabolite":"INDOLE","Blank-15V":"197","Blank-30V":"84","Blank-45V":"92","NIST SRM 1950-15V":"7865","NIST SRM 1950-30V":"10699","NIST SRM 1950-45V":"8721","HepG2 cells-15V":"115336","HepG2 cells-30V":"108526","HepG2 cells-45V":"92405","Human urine-15V":"50208","Human urine-30V":"27285","Human urine-45V":"32932"},{"Metabolite":"Norvaline","Blank-15V":"158","Blank-30V":"248","Blank-45V":"191","NIST SRM 1950-15V":"26759","NIST SRM 1950-30V":"23276","NIST SRM 1950-45V":"23498","HepG2 cells-15V":"117271","HepG2 cells-30V":"5765","HepG2 cells-45V":"92405","Human urine-15V":"84155","Human urine-30V":"264772","Human urine-45V":"223503"},{"Metabolite":"BETAINE","Blank-15V":"22470","Blank-30V":"24257","Blank-45V":"18443","NIST SRM 1950-15V":"34359","NIST SRM 1950-30V":"29995","NIST SRM 1950-45V":"19833","HepG2 cells-15V":"87106","HepG2 cells-30V":"67629","HepG2 cells-45V":"86798","Human urine-15V":"31126","Human urine-30V":"5149","Human urine-45V":"27729"},{"Metabolite":"Betaine; CE30","Blank-15V":"24276","Blank-30V":"16530","Blank-45V":"28612","NIST SRM 1950-15V":"8978","NIST SRM 1950-30V":"19898","NIST SRM 1950-45V":"26648","HepG2 cells-15V":"38365","HepG2 cells-30V":"28295","HepG2 cells-45V":"61119","Human urine-15V":"10697","Human urine-30V":"7999","Human urine-45V":"25527"},{"Metabolite":"Valine","Blank-15V":"10884","Blank-30V":"8760","Blank-45V":"9654","NIST SRM 1950-15V":"9382","NIST SRM 1950-30V":"14747","NIST SRM 1950-45V":"21502","HepG2 cells-15V":"6598","HepG2 cells-30V":"22678","HepG2 cells-45V":"30673","Human urine-15V":"53682","Human urine-30V":"52981","Human urine-45V":"56426"},{"Metabolite":"ANTHRANILATE","Blank-15V":"108","Blank-30V":"94","Blank-45V":"50","NIST SRM 1950-15V":"2340","NIST SRM 1950-30V":"2559","NIST SRM 1950-45V":"2854","HepG2 cells-15V":"288","HepG2 cells-30V":"208","HepG2 cells-45V":"162","Human urine-15V":"871550","Human urine-30V":"836112","Human 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urine-45V":"23137"},{"Metabolite":"N2_N2-Dimethylguanosine","Blank-15V":"24","Blank-30V":"3","Blank-45V":"6","NIST SRM 1950-15V":"368","NIST SRM 1950-30V":"326","NIST SRM 1950-45V":"170","HepG2 cells-15V":"1862","HepG2 cells-30V":"806","HepG2 cells-45V":"320","Human urine-15V":"70599","Human urine-30V":"71429","Human urine-45V":"73768"},{"Metabolite":"N2,N2-Dimethylguanosine","Blank-15V":"2","Blank-30V":"6","Blank-45V":"16","NIST SRM 1950-15V":"930","NIST SRM 1950-30V":"810","NIST SRM 1950-45V":"877","HepG2 cells-15V":"2505","HepG2 cells-30V":"6497","HepG2 cells-45V":"1134","Human urine-15V":"306382","Human urine-30V":"274759","Human urine-45V":"219293"},{"Metabolite":"N,N-Dimethylguanosine; LC-tDDA; CE40","Blank-15V":"2","Blank-30V":"2","Blank-45V":"18","NIST SRM 1950-15V":"9657","NIST SRM 1950-30V":"7480","NIST SRM 1950-45V":"8042","HepG2 cells-15V":"5539","HepG2 cells-30V":"6464","HepG2 cells-45V":"6264","Human urine-15V":"1674652","Human urine-30V":"1733170","Human urine-45V":"1705160"},{"Metabolite":"Benzyl-butyl-phthalate","Blank-15V":"22710","Blank-30V":"3005","Blank-45V":"4437","NIST SRM 1950-15V":"304","NIST SRM 1950-30V":"846","NIST SRM 1950-45V":"941","HepG2 cells-15V":"9453","HepG2 cells-30V":"7223","HepG2 cells-45V":"3048","Human urine-15V":"178","Human urine-30V":"197","Human urine-45V":"187"},{"Metabolite":"Phenylalanylphenylalanine; LC-tDDA; CE40","Blank-15V":"67","Blank-30V":"32","Blank-45V":"22","NIST SRM 1950-15V":"32884","NIST SRM 1950-30V":"31359","NIST SRM 1950-45V":"31085","HepG2 cells-15V":"49","HepG2 cells-30V":"51","HepG2 cells-45V":"36","Human urine-15V":"9031","Human urine-30V":"12945","Human urine-45V":"11054"},{"Metabolite":"Heptadecanoyl Ethanolamide","Blank-15V":"177","Blank-30V":"179","Blank-45V":"72","NIST SRM 1950-15V":"369","NIST SRM 1950-30V":"290","NIST SRM 1950-45V":"58","HepG2 cells-15V":"919","HepG2 cells-30V":"1103","HepG2 cells-45V":"1073","Human urine-15V":"48","Human urine-30V":"56","Human urine-45V":"294"},{"Metabolite":"Intermedine N-oxide","Blank-15V":"28","Blank-30V":"8","Blank-45V":"6","NIST SRM 1950-15V":"118","NIST SRM 1950-30V":"273","NIST SRM 1950-45V":"261","HepG2 cells-15V":"13","HepG2 cells-30V":"333","HepG2 cells-45V":"62","Human urine-15V":"610207","Human urine-30V":"695768","Human urine-45V":"628183"},{"Metabolite":"DECANOYLCARNITINE","Blank-15V":"9","Blank-30V":"5","Blank-45V":"40","NIST SRM 1950-15V":"2527","NIST SRM 1950-30V":"2314","NIST SRM 1950-45V":"2792","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"1049128","Human urine-30V":"1070755","Human urine-45V":"937039"},{"Metabolite":"Dehydrophytosphingosine (not validated, isomer of 1679)","Blank-15V":"63","Blank-30V":"34","Blank-45V":"65","NIST SRM 1950-15V":"80","NIST SRM 1950-30V":"7","NIST SRM 1950-45V":"134","HepG2 cells-15V":"282","HepG2 cells-30V":"226","HepG2 cells-45V":"96","Human urine-15V":"90","Human urine-30V":"1","Human 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urine-30V":"229","Human urine-45V":"46"},{"Metabolite":"h_315_oxymetholone_m2","Blank-15V":"5","Blank-30V":"9","Blank-45V":"117","NIST SRM 1950-15V":"112","NIST SRM 1950-30V":"85","NIST SRM 1950-45V":"350","HepG2 cells-15V":"2277","HepG2 cells-30V":"1756","HepG2 cells-45V":"1676","Human urine-15V":"53","Human urine-30V":"43","Human urine-45V":"18"},{"Metabolite":"2-(3-Hydroxycyclohexyl)-5-(2-methyl-2-octanyl)phenol","Blank-15V":"13","Blank-30V":"7","Blank-45V":"7","NIST SRM 1950-15V":"1468","NIST SRM 1950-30V":"1314","NIST SRM 1950-45V":"1586","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"48405","Human urine-30V":"52803","Human urine-45V":"47557"},{"Metabolite":"Phytosphingosine (not validated, isomer of 1696)","Blank-15V":"18","Blank-30V":"84","Blank-45V":"8","NIST SRM 1950-15V":"92","NIST SRM 1950-30V":"30","NIST SRM 1950-45V":"39","HepG2 cells-15V":"30153","HepG2 cells-30V":"24652","HepG2 cells-45V":"24587","Human urine-15V":"39","Human urine-30V":"21","Human urine-45V":"45"},{"Metabolite":"D-ribo-Phytosphingosine","Blank-15V":"1286","Blank-30V":"339","Blank-45V":"173","NIST SRM 1950-15V":"52","NIST SRM 1950-30V":"40","NIST SRM 1950-45V":"518","HepG2 cells-15V":"373","HepG2 cells-30V":"3789","HepG2 cells-45V":"3735","Human urine-15V":"284","Human urine-30V":"19","Human urine-45V":"7"},{"Metabolite":"Exemestane","Blank-15V":"9","Blank-30V":"2","Blank-45V":"6","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"24","NIST SRM 1950-45V":"12","HepG2 cells-15V":"7","HepG2 cells-30V":"126","HepG2 cells-45V":"85","Human urine-15V":"1306","Human urine-30V":"566","Human urine-45V":"1324"},{"Metabolite":"Decanoyl-L-carnitine D3","Blank-15V":"2221","Blank-30V":"2190","Blank-45V":"2176","NIST SRM 1950-15V":"158323","NIST SRM 1950-30V":"166216","NIST SRM 1950-45V":"143084","HepG2 cells-15V":"2232184","HepG2 cells-30V":"2176779","HepG2 cells-45V":"1978015","Human urine-15V":"4054616","Human urine-30V":"576960","Human urine-45V":"533900"},{"Metabolite":"alpha-Linolenoyl Ethanolamide","Blank-15V":"78","Blank-30V":"56","Blank-45V":"53","NIST SRM 1950-15V":"8","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"85","HepG2 cells-15V":"788","HepG2 cells-30V":"955","HepG2 cells-45V":"140","Human urine-15V":"74","Human urine-30V":"41","Human urine-45V":"11"},{"Metabolite":"Bis(2-ethylhexyl)phosphate","Blank-15V":"272","Blank-30V":"15","Blank-45V":"13","NIST SRM 1950-15V":"47982","NIST SRM 1950-30V":"38902","NIST SRM 1950-45V":"45172","HepG2 cells-15V":"139","HepG2 cells-30V":"0","HepG2 cells-45V":"309","Human urine-15V":"10","Human urine-30V":"211","Human urine-45V":"17"},{"Metabolite":"Linoleoyl Ethanolamide","Blank-15V":"323","Blank-30V":"52","Blank-45V":"29","NIST SRM 1950-15V":"164","NIST SRM 1950-30V":"454","NIST SRM 1950-45V":"291","HepG2 cells-15V":"3005","HepG2 cells-30V":"3439","HepG2 cells-45V":"2902","Human urine-15V":"0","Human urine-30V":"0","Human urine-45V":"5"},{"Metabolite":"SSR180711","Blank-15V":"10","Blank-30V":"14","Blank-45V":"32","NIST SRM 1950-15V":"86","NIST SRM 1950-30V":"108","NIST SRM 1950-45V":"205","HepG2 cells-15V":"273000","HepG2 cells-30V":"292564","HepG2 cells-45V":"252447","Human urine-15V":"42351","Human urine-30V":"51213","Human urine-45V":"38920"},{"Metabolite":"Citalopram","Blank-15V":"25","Blank-30V":"0","Blank-45V":"3","NIST SRM 1950-15V":"6441","NIST SRM 1950-30V":"5578","NIST SRM 1950-45V":"4657","HepG2 cells-15V":"11","HepG2 cells-30V":"30","HepG2 cells-45V":"21","Human urine-15V":"6890","Human urine-30V":"7557","Human urine-45V":"6485"},{"Metabolite":"Heneicosanoic acid","Blank-15V":"57","Blank-30V":"22","Blank-45V":"31","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"76","NIST SRM 1950-45V":"0","HepG2 cells-15V":"245","HepG2 cells-30V":"8","HepG2 cells-45V":"1","Human urine-15V":"14","Human urine-30V":"17","Human urine-45V":"0"},{"Metabolite":"N-Oleoylethanolamine","Blank-15V":"2653","Blank-30V":"683","Blank-45V":"650","NIST SRM 1950-15V":"2127","NIST SRM 1950-30V":"2446","NIST SRM 1950-45V":"1145","HepG2 cells-15V":"11748","HepG2 cells-30V":"12064","HepG2 cells-45V":"8167","Human urine-15V":"120","Human urine-30V":"0","Human urine-45V":"103"},{"Metabolite":"Triphenyl phosphate (TPP)","Blank-15V":"27498","Blank-30V":"5786","Blank-45V":"6193","NIST SRM 1950-15V":"539","NIST SRM 1950-30V":"1079","NIST SRM 1950-45V":"304","HepG2 cells-15V":"4737","HepG2 cells-30V":"6554","HepG2 cells-45V":"6071","Human urine-15V":"358","Human urine-30V":"248","Human urine-45V":"431"},{"Metabolite":"Acetaminophen glucuronide","Blank-15V":"7","Blank-30V":"13","Blank-45V":"16","NIST SRM 1950-15V":"11402","NIST SRM 1950-30V":"12862","NIST SRM 1950-45V":"12615","HepG2 cells-15V":"305","HepG2 cells-30V":"0","HepG2 cells-45V":"119","Human urine-15V":"219","Human urine-30V":"156","Human urine-45V":"1619"},{"Metabolite":"NALOXONE","Blank-15V":"9","Blank-30V":"5","Blank-45V":"11","NIST SRM 1950-15V":"8","NIST SRM 1950-30V":"12","NIST SRM 1950-45V":"54","HepG2 cells-15V":"44","HepG2 cells-30V":"32","HepG2 cells-45V":"82","Human urine-15V":"2396","Human urine-30V":"3548","Human urine-45V":"1012"},{"Metabolite":"Trilostane","Blank-15V":"67","Blank-30V":"16","Blank-45V":"44","NIST SRM 1950-15V":"47","NIST SRM 1950-30V":"34","NIST SRM 1950-45V":"88","HepG2 cells-15V":"19","HepG2 cells-30V":"104","HepG2 cells-45V":"17","Human urine-15V":"7355","Human urine-30V":"12008","Human urine-45V":"9573"},{"Metabolite":"Stearoyl Ethanolamide","Blank-15V":"1272","Blank-30V":"214","Blank-45V":"293","NIST SRM 1950-15V":"198","NIST SRM 1950-30V":"66","NIST SRM 1950-45V":"122","HepG2 cells-15V":"15377","HepG2 cells-30V":"18673","HepG2 cells-45V":"15089","Human urine-15V":"16","Human urine-30V":"8","Human urine-45V":"2"},{"Metabolite":"Docosahexaenoic 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urine-45V":"26870"},{"Metabolite":"AM580","Blank-15V":"34","Blank-30V":"18","Blank-45V":"65","NIST SRM 1950-15V":"197","NIST SRM 1950-30V":"18","NIST SRM 1950-45V":"266","HepG2 cells-15V":"4","HepG2 cells-30V":"1","HepG2 cells-45V":"21","Human urine-15V":"32","Human urine-30V":"1","Human urine-45V":"75"},{"Metabolite":"Oleyl sarcosine","Blank-15V":"151","Blank-30V":"120","Blank-45V":"149","NIST SRM 1950-15V":"209","NIST SRM 1950-30V":"127","NIST SRM 1950-45V":"257","HepG2 cells-15V":"664","HepG2 cells-30V":"375","HepG2 cells-45V":"606","Human urine-15V":"158","Human urine-30V":"54","Human urine-45V":"102"},{"Metabolite":"Cholic acid","Blank-15V":"26","Blank-30V":"9","Blank-45V":"12","NIST SRM 1950-15V":"857","NIST SRM 1950-30V":"1936","NIST SRM 1950-45V":"176","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"265","Human urine-15V":"64795","Human urine-30V":"48219","Human urine-45V":"43623"},{"Metabolite":"(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"26","Blank-30V":"14","Blank-45V":"5","NIST SRM 1950-15V":"321","NIST SRM 1950-30V":"577","NIST SRM 1950-45V":"404","HepG2 cells-15V":"214","HepG2 cells-30V":"366","HepG2 cells-45V":"269","Human urine-15V":"327","Human urine-30V":"24","Human urine-45V":"37"},{"Metabolite":"DEOXYCHOLATE","Blank-15V":"72","Blank-30V":"10","Blank-45V":"18","NIST SRM 1950-15V":"3899","NIST SRM 1950-30V":"1347","NIST SRM 1950-45V":"1163","HepG2 cells-15V":"5811","HepG2 cells-30V":"5239","HepG2 cells-45V":"5366","Human urine-15V":"126","Human urine-30V":"348","Human urine-45V":"160"},{"Metabolite":"URSODEOXYCHOLATE","Blank-15V":"109","Blank-30V":"203","Blank-45V":"152","NIST SRM 1950-15V":"60","NIST SRM 1950-30V":"151","NIST SRM 1950-45V":"197","HepG2 cells-15V":"5940","HepG2 cells-30V":"3681","HepG2 cells-45V":"4855","Human urine-15V":"3","Human urine-30V":"50","Human urine-45V":"13"},{"Metabolite":"Monoolein","Blank-15V":"137","Blank-30V":"139","Blank-45V":"151","NIST SRM 1950-15V":"67349","NIST SRM 1950-30V":"59241","NIST SRM 1950-45V":"54867","HepG2 cells-15V":"2870","HepG2 cells-30V":"4232","HepG2 cells-45V":"3394","Human urine-15V":"79","Human urine-30V":"55","Human urine-45V":"97"},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL","Blank-15V":"90","Blank-30V":"229","Blank-45V":"40","NIST SRM 1950-15V":"483675","NIST SRM 1950-30V":"484444","NIST SRM 1950-45V":"528650","HepG2 cells-15V":"1045","HepG2 cells-30V":"884","HepG2 cells-45V":"756","Human urine-15V":"141","Human urine-30V":"21","Human urine-45V":"71"},{"Metabolite":"??-Gentiobiose","Blank-15V":"5","Blank-30V":"127","Blank-45V":"67","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"102","NIST SRM 1950-45V":"0","HepG2 cells-15V":"0","HepG2 cells-30V":"341","HepG2 cells-45V":"125","Human urine-15V":"1481","Human urine-30V":"155","Human urine-45V":"2729"},{"Metabolite":"LACTULOSE","Blank-15V":"28","Blank-30V":"18","Blank-45V":"53","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"20","HepG2 cells-30V":"170","HepG2 cells-45V":"52","Human urine-15V":"1178","Human urine-30V":"2821","Human urine-45V":"312"},{"Metabolite":"Cortisone","Blank-15V":"16","Blank-30V":"64","Blank-45V":"11","NIST SRM 1950-15V":"23359","NIST SRM 1950-30V":"23225","NIST SRM 1950-45V":"24064","HepG2 cells-15V":"43","HepG2 cells-30V":"121","HepG2 cells-45V":"63","Human urine-15V":"164978","Human urine-30V":"166280","Human urine-45V":"149532"},{"Metabolite":"(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one","Blank-15V":"78","Blank-30V":"5","Blank-45V":"7","NIST SRM 1950-15V":"1719","NIST SRM 1950-30V":"1322","NIST SRM 1950-45V":"1222","HepG2 cells-15V":"0","HepG2 cells-30V":"38","HepG2 cells-45V":"0","Human 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SRM 1950-45V":"289","HepG2 cells-15V":"2805","HepG2 cells-30V":"12458","HepG2 cells-45V":"2162","Human urine-15V":"74448","Human urine-30V":"66907","Human urine-45V":"61808"},{"Metabolite":"Quetiapine","Blank-15V":"58","Blank-30V":"4","Blank-45V":"4","NIST SRM 1950-15V":"195236","NIST SRM 1950-30V":"170188","NIST SRM 1950-45V":"182993","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"3449","Human urine-30V":"259","Human urine-45V":"372"},{"Metabolite":"S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30","Blank-15V":"40","Blank-30V":"0","Blank-45V":"26","NIST SRM 1950-15V":"2892","NIST SRM 1950-30V":"2836","NIST SRM 1950-45V":"3061","HepG2 cells-15V":"27473","HepG2 cells-30V":"33051","HepG2 cells-45V":"27604","Human urine-15V":"9107","Human urine-30V":"18942","Human urine-45V":"17099"},{"Metabolite":"S-Adenosylhomocysteine (SAH)","Blank-15V":"29","Blank-30V":"8","Blank-45V":"8","NIST SRM 1950-15V":"197","NIST SRM 1950-30V":"671","NIST SRM 1950-45V":"317","HepG2 cells-15V":"611","HepG2 cells-30V":"153","HepG2 cells-45V":"747","Human urine-15V":"1812","Human urine-30V":"2564","Human urine-45V":"2617"},{"Metabolite":"Resibufogenin","Blank-15V":"24","Blank-30V":"7","Blank-45V":"4","NIST SRM 1950-15V":"99","NIST SRM 1950-30V":"194","NIST SRM 1950-45V":"302","HepG2 cells-15V":"0","HepG2 cells-30V":"12","HepG2 cells-45V":"10","Human urine-15V":"710","Human urine-30V":"4421","Human urine-45V":"3282"},{"Metabolite":"4-Cholesten-3-one","Blank-15V":"23424","Blank-30V":"18915","Blank-45V":"30157","NIST SRM 1950-15V":"6651","NIST SRM 1950-30V":"4872","NIST SRM 1950-45V":"7314","HepG2 cells-15V":"43005","HepG2 cells-30V":"47204","HepG2 cells-45V":"45798","Human urine-15V":"3352","Human urine-30V":"1398","Human urine-45V":"4812"},{"Metabolite":"(3S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","Blank-15V":"3868","Blank-30V":"999","Blank-45V":"1034","NIST SRM 1950-15V":"248","NIST SRM 1950-30V":"1013","NIST SRM 1950-45V":"1381","HepG2 cells-15V":"278097","HepG2 cells-30V":"306394","HepG2 cells-45V":"257897","Human urine-15V":"440","Human urine-30V":"904","Human urine-45V":"344"},{"Metabolite":"Buspirone","Blank-15V":"124","Blank-30V":"2","Blank-45V":"18","NIST SRM 1950-15V":"308","NIST SRM 1950-30V":"263","NIST SRM 1950-45V":"417","HepG2 cells-15V":"9","HepG2 cells-30V":"0","HepG2 cells-45V":"6","Human urine-15V":"69201","Human urine-30V":"70226","Human urine-45V":"71287"},{"Metabolite":"methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate","Blank-15V":"85","Blank-30V":"9","Blank-45V":"18","NIST SRM 1950-15V":"202","NIST SRM 1950-30V":"3","NIST SRM 1950-45V":"230","HepG2 cells-15V":"19","HepG2 cells-30V":"0","HepG2 cells-45V":"6","Human urine-15V":"28","Human urine-30V":"24","Human urine-45V":"19"},{"Metabolite":"Cetirizine","Blank-15V":"17","Blank-30V":"5","Blank-45V":"30","NIST SRM 1950-15V":"32655","NIST SRM 1950-30V":"30446","NIST SRM 1950-45V":"31325","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"113","Human urine-30V":"2496","Human urine-45V":"1234"},{"Metabolite":"(R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"40","Blank-30V":"2","Blank-45V":"22","NIST SRM 1950-15V":"139","NIST SRM 1950-30V":"135","NIST SRM 1950-45V":"97","HepG2 cells-15V":"132","HepG2 cells-30V":"64","HepG2 cells-45V":"5","Human urine-15V":"12794","Human urine-30V":"1391","Human urine-45V":"2976"},{"Metabolite":"(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"36","Blank-30V":"61","Blank-45V":"0","NIST SRM 1950-15V":"489","NIST SRM 1950-30V":"40","NIST SRM 1950-45V":"42","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"1721","Human urine-30V":"2332","Human urine-45V":"1342"},{"Metabolite":"3?-Hydroxy-12 Ketolithocholic Acid","Blank-15V":"1528","Blank-30V":"1201","Blank-45V":"1224","NIST SRM 1950-15V":"13144","NIST SRM 1950-30V":"12691","NIST SRM 1950-45V":"13277","HepG2 cells-15V":"245","HepG2 cells-30V":"67","HepG2 cells-45V":"135","Human urine-15V":"5061","Human urine-30V":"4460","Human urine-45V":"3812"},{"Metabolite":"Dioctyl Phthalate","Blank-15V":"2722","Blank-30V":"4427","Blank-45V":"6818","NIST SRM 1950-15V":"100640","NIST SRM 1950-30V":"143405","NIST SRM 1950-45V":"164584","HepG2 cells-15V":"1921","HepG2 cells-30V":"2695","HepG2 cells-45V":"4272","Human urine-15V":"78457","Human urine-30V":"19391","Human urine-45V":"110802"},{"Metabolite":"3?-Hydroxy-7 Ketolithocholic Acid","Blank-15V":"1578","Blank-30V":"1171","Blank-45V":"1236","NIST SRM 1950-15V":"1921","NIST SRM 1950-30V":"687","NIST SRM 1950-45V":"1301","HepG2 cells-15V":"822","HepG2 cells-30V":"1249","HepG2 cells-45V":"1421","Human urine-15V":"2061","Human urine-30V":"1974","Human urine-45V":"2812"},{"Metabolite":"(4R)-4-((1R,3S,5S,7R,9S,10S,13R,14S,17R)-1,3,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"832","Blank-30V":"949","Blank-45V":"467","NIST SRM 1950-15V":"1106","NIST SRM 1950-30V":"264","NIST SRM 1950-45V":"504","HepG2 cells-15V":"119","HepG2 cells-30V":"79","HepG2 cells-45V":"138","Human urine-15V":"1858","Human urine-30V":"2459","Human urine-45V":"2577"},{"Metabolite":"(R)-4-((3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"347","Blank-30V":"1814","Blank-45V":"1988","NIST SRM 1950-15V":"473","NIST SRM 1950-30V":"362","NIST SRM 1950-45V":"1405","HepG2 cells-15V":"692","HepG2 cells-30V":"182","HepG2 cells-45V":"32","Human urine-15V":"2288","Human urine-30V":"1091","Human urine-45V":"1144"},{"Metabolite":"(4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"681","Blank-30V":"584","Blank-45V":"1069","NIST SRM 1950-15V":"1696","NIST SRM 1950-30V":"1096","NIST SRM 1950-45V":"1729","HepG2 cells-15V":"3395","HepG2 cells-30V":"643","HepG2 cells-45V":"1475","Human urine-15V":"925","Human urine-30V":"3880","Human urine-45V":"3827"},{"Metabolite":"(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"1915","Blank-30V":"1626","Blank-45V":"1155","NIST SRM 1950-15V":"872","NIST SRM 1950-30V":"692","NIST SRM 1950-45V":"426","HepG2 cells-15V":"2192","HepG2 cells-30V":"2066","HepG2 cells-45V":"1448","Human urine-15V":"30337","Human urine-30V":"28355","Human urine-45V":"31718"},{"Metabolite":"(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"452","Blank-30V":"745","Blank-45V":"433","NIST SRM 1950-15V":"5960","NIST SRM 1950-30V":"1322","NIST SRM 1950-45V":"5479","HepG2 cells-15V":"78","HepG2 cells-30V":"80","HepG2 cells-45V":"190","Human urine-15V":"4679","Human urine-30V":"2978","Human urine-45V":"4337"},{"Metabolite":"Trospium","Blank-15V":"8","Blank-30V":"0","Blank-45V":"28","NIST SRM 1950-15V":"216","NIST SRM 1950-30V":"38","NIST SRM 1950-45V":"182","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"7471","Human urine-30V":"13691","Human urine-45V":"9541"},{"Metabolite":"dG-C8-4-CA","Blank-15V":"2","Blank-30V":"6","Blank-45V":"3","NIST SRM 1950-15V":"46","NIST SRM 1950-30V":"11","NIST SRM 1950-45V":"38","HepG2 cells-15V":"34","HepG2 cells-30V":"0","HepG2 cells-45V":"5","Human urine-15V":"21326","Human urine-30V":"14072","Human urine-45V":"14614"},{"Metabolite":"Octaethylene glycol","Blank-15V":"35","Blank-30V":"6","Blank-45V":"10","NIST SRM 1950-15V":"8379","NIST SRM 1950-30V":"7295","NIST SRM 1950-45V":"8425","HepG2 cells-15V":"1813","HepG2 cells-30V":"2314","HepG2 cells-45V":"1211","Human urine-15V":"38438","Human urine-30V":"40689","Human urine-45V":"32041"},{"Metabolite":"N-Oleyl-Leucine","Blank-15V":"39","Blank-30V":"54","Blank-45V":"174","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"349","NIST SRM 1950-45V":"614","HepG2 cells-15V":"228","HepG2 cells-30V":"111","HepG2 cells-45V":"1163","Human urine-15V":"37","Human urine-30V":"49","Human urine-45V":"114"},{"Metabolite":"Ethylrhoeagenine","Blank-15V":"12464","Blank-30V":"1649","Blank-45V":"1659","NIST SRM 1950-15V":"278","NIST SRM 1950-30V":"47","NIST SRM 1950-45V":"167","HepG2 cells-15V":"2","HepG2 cells-30V":"0","HepG2 cells-45V":"2","Human urine-15V":"76","Human urine-30V":"214","Human urine-45V":"112"},{"Metabolite":"S-(5'-Adenosyl)-L-methionine","Blank-15V":"3120","Blank-30V":"505","Blank-45V":"247","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"11","NIST SRM 1950-45V":"24","HepG2 cells-15V":"4997","HepG2 cells-30V":"2565","HepG2 cells-45V":"6057","Human urine-15V":"16853","Human urine-30V":"16024","Human urine-45V":"22187"},{"Metabolite":"Tri(butoxyethyl) phosphate","Blank-15V":"52501","Blank-30V":"9099","Blank-45V":"9278","NIST SRM 1950-15V":"656","NIST SRM 1950-30V":"209","NIST SRM 1950-45V":"238","HepG2 cells-15V":"61494","HepG2 cells-30V":"63588","HepG2 cells-45V":"64383","Human urine-15V":"106","Human urine-30V":"190","Human urine-45V":"441"},{"Metabolite":"Tri(butoxyethyl)phosphate","Blank-15V":"1803","Blank-30V":"985","Blank-45V":"1179","NIST SRM 1950-15V":"37857","NIST SRM 1950-30V":"24358","NIST SRM 1950-45V":"35633","HepG2 cells-15V":"1952","HepG2 cells-30V":"2170","HepG2 cells-45V":"1326","Human urine-15V":"24350","Human urine-30V":"18768","Human urine-45V":"16469"},{"Metabolite":"Palmitoyl-carnitine; LC-tDDA; CE20","Blank-15V":"106","Blank-30V":"97","Blank-45V":"7","NIST SRM 1950-15V":"1251","NIST SRM 1950-30V":"4003","NIST SRM 1950-45V":"5269","HepG2 cells-15V":"2660239","HepG2 cells-30V":"2996651","HepG2 cells-45V":"2610792","Human urine-15V":"157","Human urine-30V":"109","Human urine-45V":"146"},{"Metabolite":"NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid [IIN-based on: CCMSLIB00000847365]","Blank-15V":"211","Blank-30V":"39","Blank-45V":"45","NIST SRM 1950-15V":"276","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"293","HepG2 cells-15V":"49793","HepG2 cells-30V":"56779","HepG2 cells-45V":"36444","Human urine-15V":"9","Human urine-30V":"120","Human urine-45V":"74"},{"Metabolite":"7-Oxocholesterol","Blank-15V":"607","Blank-30V":"568","Blank-45V":"488","NIST SRM 1950-15V":"42991","NIST SRM 1950-30V":"38411","NIST SRM 1950-45V":"41136","HepG2 cells-15V":"5187","HepG2 cells-30V":"3747","HepG2 cells-45V":"4765","Human urine-15V":"32","Human urine-30V":"3","Human urine-45V":"75"},{"Metabolite":"Acetyl tributyl citrate","Blank-15V":"756830","Blank-30V":"97813","Blank-45V":"90249","NIST SRM 1950-15V":"695","NIST SRM 1950-30V":"795","NIST SRM 1950-45V":"941","HepG2 cells-15V":"1174547","HepG2 cells-30V":"1222341","HepG2 cells-45V":"1118643","Human urine-15V":"178","Human urine-30V":"99","Human urine-45V":"231"},{"Metabolite":"5-Cholesten-3-beta-7-alpha-diol","Blank-15V":"26","Blank-30V":"17","Blank-45V":"35","NIST SRM 1950-15V":"39071","NIST SRM 1950-30V":"36486","NIST SRM 1950-45V":"31370","HepG2 cells-15V":"3047445","HepG2 cells-30V":"3396822","HepG2 cells-45V":"3019197","Human urine-15V":"3686","Human urine-30V":"3589","Human urine-45V":"2443"},{"Metabolite":"NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based: Match]","Blank-15V":"300","Blank-30V":"1079","Blank-45V":"303","NIST SRM 1950-15V":"392","NIST SRM 1950-30V":"404","NIST SRM 1950-45V":"320","HepG2 cells-15V":"4244","HepG2 cells-30V":"4968","HepG2 cells-45V":"3771","Human urine-15V":"1860","Human urine-30V":"2015","Human urine-45V":"1942"},{"Metabolite":"5?-CHOLANIC ACID-3?-OL-6_7-DIONE","Blank-15V":"98","Blank-30V":"15","Blank-45V":"11","NIST SRM 1950-15V":"168","NIST SRM 1950-30V":"19","NIST SRM 1950-45V":"64","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"131","Human urine-15V":"2914","Human urine-30V":"390","Human urine-45V":"5342"},{"Metabolite":"methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)-3,7,15-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate","Blank-15V":"91","Blank-30V":"12","Blank-45V":"15","NIST SRM 1950-15V":"122","NIST SRM 1950-30V":"284","NIST SRM 1950-45V":"24","HepG2 cells-15V":"2","HepG2 cells-30V":"15","HepG2 cells-45V":"0","Human urine-15V":"105","Human urine-30V":"21","Human urine-45V":"147"},{"Metabolite":"(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"37","Blank-30V":"5","Blank-45V":"8","NIST SRM 1950-15V":"28","NIST SRM 1950-30V":"142","NIST SRM 1950-45V":"95","HepG2 cells-15V":"0","HepG2 cells-30V":"25","HepG2 cells-45V":"12","Human urine-15V":"4151","Human urine-30V":"3784","Human urine-45V":"3487"},{"Metabolite":"MMV688990","Blank-15V":"47","Blank-30V":"96","Blank-45V":"50","NIST SRM 1950-15V":"9","NIST SRM 1950-30V":"188","NIST SRM 1950-45V":"19","HepG2 cells-15V":"66735","HepG2 cells-30V":"75015","HepG2 cells-45V":"56765","Human urine-15V":"186","Human urine-30V":"281","Human urine-45V":"149"},{"Metabolite":"NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","Blank-15V":"11","Blank-30V":"9","Blank-45V":"15","NIST SRM 1950-15V":"592","NIST SRM 1950-30V":"939","NIST SRM 1950-45V":"740","HepG2 cells-15V":"213","HepG2 cells-30V":"214","HepG2 cells-45V":"185","Human urine-15V":"17551","Human urine-30V":"20084","Human urine-45V":"18183"},{"Metabolite":"5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL","Blank-15V":"25","Blank-30V":"4","Blank-45V":"25","NIST SRM 1950-15V":"50","NIST SRM 1950-30V":"67","NIST SRM 1950-45V":"44","HepG2 cells-15V":"16","HepG2 cells-30V":"7","HepG2 cells-45V":"7","Human urine-15V":"777","Human urine-30V":"1946","Human urine-45V":"271"},{"Metabolite":"(R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"32","Blank-30V":"20","Blank-45V":"9","NIST SRM 1950-15V":"90","NIST SRM 1950-30V":"5","NIST SRM 1950-45V":"12","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"1421","Human urine-30V":"1379","Human urine-45V":"1484"},{"Metabolite":"STIGMASTA-4,22-DIEN-3-ONE","Blank-15V":"278","Blank-30V":"495","Blank-45V":"577","NIST SRM 1950-15V":"738","NIST SRM 1950-30V":"251","NIST SRM 1950-45V":"448","HepG2 cells-15V":"602","HepG2 cells-30V":"301","HepG2 cells-45V":"528","Human urine-15V":"1340","Human urine-30V":"698","Human urine-45V":"238"},{"Metabolite":"N6-Threonylcarbamoyladenosine","Blank-15V":"2","Blank-30V":"7","Blank-45V":"4","NIST SRM 1950-15V":"8469","NIST SRM 1950-30V":"8790","NIST SRM 1950-45V":"7794","HepG2 cells-15V":"12037","HepG2 cells-30V":"1066","HepG2 cells-45V":"10818","Human urine-15V":"1748552","Human urine-30V":"1881500","Human urine-45V":"1638740"},{"Metabolite":"2-acetoxy-4-pentadecylbenzoic acid","Blank-15V":"1963","Blank-30V":"2947","Blank-45V":"848","NIST SRM 1950-15V":"112912","NIST SRM 1950-30V":"99990","NIST SRM 1950-45V":"107325","HepG2 cells-15V":"4469","HepG2 cells-30V":"3290","HepG2 cells-45V":"2488","Human urine-15V":"94269","Human urine-30V":"188981","Human urine-45V":"93797"},{"Metabolite":"delta4-Dafachronic acid","Blank-15V":"247","Blank-30V":"33","Blank-45V":"76","NIST SRM 1950-15V":"634","NIST SRM 1950-30V":"806","NIST SRM 1950-45V":"548","HepG2 cells-15V":"2498","HepG2 cells-30V":"2184","HepG2 cells-45V":"1641","Human urine-15V":"47","Human urine-30V":"1","Human urine-45V":"28"},{"Metabolite":"GLYCOCHENODEOXYCHOLATE","Blank-15V":"48","Blank-30V":"6","Blank-45V":"6","NIST SRM 1950-15V":"119009","NIST SRM 1950-30V":"108392","NIST SRM 1950-45V":"113869","HepG2 cells-15V":"66","HepG2 cells-30V":"82","HepG2 cells-45V":"45","Human urine-15V":"244692","Human urine-30V":"283561","Human urine-45V":"262466"},{"Metabolite":"glycoursodeoxycholic acid","Blank-15V":"35","Blank-30V":"0","Blank-45V":"31","NIST SRM 1950-15V":"351657","NIST SRM 1950-30V":"343344","NIST SRM 1950-45V":"304948","HepG2 cells-15V":"39","HepG2 cells-30V":"32","HepG2 cells-45V":"36","Human urine-15V":"14453","Human urine-30V":"12198","Human urine-45V":"10619"},{"Metabolite":"Solasodin","Blank-15V":"50","Blank-30V":"11","Blank-45V":"14","NIST SRM 1950-15V":"101","NIST SRM 1950-30V":"176","NIST SRM 1950-45V":"247","HepG2 cells-15V":"23765","HepG2 cells-30V":"19878","HepG2 cells-45V":"20843","Human urine-15V":"126","Human urine-30V":"44","Human urine-45V":"72"},{"Metabolite":"7-Hydroxymitragynine","Blank-15V":"25","Blank-30V":"7","Blank-45V":"3","NIST SRM 1950-15V":"1","NIST SRM 1950-30V":"14","NIST SRM 1950-45V":"207","HepG2 cells-15V":"56","HepG2 cells-30V":"14","HepG2 cells-45V":"30","Human urine-15V":"4423","Human urine-30V":"4370","Human urine-45V":"3492"},{"Metabolite":"Tentoxin","Blank-15V":"91","Blank-30V":"93","Blank-45V":"106","NIST SRM 1950-15V":"13821","NIST SRM 1950-30V":"11479","NIST SRM 1950-45V":"12251","HepG2 cells-15V":"435","HepG2 cells-30V":"98","HepG2 cells-45V":"91","Human urine-15V":"394","Human urine-30V":"219","Human urine-45V":"205"},{"Metabolite":"Diosgenin","Blank-15V":"28","Blank-30V":"7","Blank-45V":"4","NIST SRM 1950-15V":"14000","NIST SRM 1950-30V":"12942","NIST SRM 1950-45V":"14241","HepG2 cells-15V":"1639","HepG2 cells-30V":"927","HepG2 cells-45V":"1008","Human urine-15V":"245","Human urine-30V":"185","Human urine-45V":"208"},{"Metabolite":"(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol","Blank-15V":"0","Blank-30V":"16","Blank-45V":"7","NIST SRM 1950-15V":"11172","NIST SRM 1950-30V":"6462","NIST SRM 1950-45V":"6565","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"43","Human urine-15V":"19406","Human urine-30V":"22583","Human urine-45V":"18069"},{"Metabolite":"Linoleyl-carnitine; LC-tDDA; CE20","Blank-15V":"32","Blank-30V":"114","Blank-45V":"60","NIST SRM 1950-15V":"48829","NIST SRM 1950-30V":"41201","NIST SRM 1950-45V":"38472","HepG2 cells-15V":"97577","HepG2 cells-30V":"102620","HepG2 cells-45V":"86473","Human urine-15V":"16","Human urine-30V":"45","Human urine-45V":"64"},{"Metabolite":"Linoleyl-carnitine; AIF; CE30; CorrDec","Blank-15V":"64","Blank-30V":"61","Blank-45V":"43","NIST SRM 1950-15V":"271606","NIST SRM 1950-30V":"259565","NIST SRM 1950-45V":"248653","HepG2 cells-15V":"1051","HepG2 cells-30V":"147","HepG2 cells-45V":"3","Human urine-15V":"60","Human urine-30V":"31","Human urine-45V":"40"},{"Metabolite":"NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000845077]","Blank-15V":"186","Blank-30V":"229","Blank-45V":"100","NIST SRM 1950-15V":"262","NIST SRM 1950-30V":"34","NIST SRM 1950-45V":"107","HepG2 cells-15V":"541","HepG2 cells-30V":"572","HepG2 cells-45V":"543","Human urine-15V":"87","Human urine-30V":"76","Human urine-45V":"117"},{"Metabolite":"URSOCHOLIC ACID","Blank-15V":"33","Blank-30V":"11","Blank-45V":"19","NIST SRM 1950-15V":"131","NIST SRM 1950-30V":"379","NIST SRM 1950-45V":"198","HepG2 cells-15V":"0","HepG2 cells-30V":"9","HepG2 cells-45V":"4","Human urine-15V":"247","Human urine-30V":"2392","Human urine-45V":"3497"},{"Metabolite":"Oleoyl-carnitine; LC-tDDA; CE20","Blank-15V":"249","Blank-30V":"116","Blank-45V":"27","NIST SRM 1950-15V":"855650","NIST SRM 1950-30V":"829592","NIST SRM 1950-45V":"824663","HepG2 cells-15V":"527","HepG2 cells-30V":"185","HepG2 cells-45V":"261","Human urine-15V":"16","Human urine-30V":"109","Human urine-45V":"39"},{"Metabolite":"Adenosine_Diphosphate","Blank-15V":"419","Blank-30V":"363","Blank-45V":"343","NIST SRM 1950-15V":"67","NIST SRM 1950-30V":"82","NIST SRM 1950-45V":"17","HepG2 cells-15V":"37847","HepG2 cells-30V":"50991","HepG2 cells-45V":"28373","Human urine-15V":"145","Human urine-30V":"3264","Human urine-45V":"1612"},{"Metabolite":"Stearoyl-carnitine; LC-tDDA; CE20","Blank-15V":"171","Blank-30V":"368","Blank-45V":"246","NIST SRM 1950-15V":"2146","NIST SRM 1950-30V":"1809","NIST SRM 1950-45V":"2208","HepG2 cells-15V":"4023","HepG2 cells-30V":"11843","HepG2 cells-45V":"14488","Human urine-15V":"39","Human urine-30V":"69","Human urine-45V":"13"},{"Metabolite":"N-Oleoyl-Phenylalanine","Blank-15V":"37","Blank-30V":"154","Blank-45V":"174","NIST SRM 1950-15V":"848","NIST SRM 1950-30V":"878","NIST SRM 1950-45V":"396","HepG2 cells-15V":"4101","HepG2 cells-30V":"4444","HepG2 cells-45V":"3570","Human urine-15V":"393","Human urine-30V":"423","Human urine-45V":"202"},{"Metabolite":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","Blank-15V":"65","Blank-30V":"39","Blank-45V":"26","NIST SRM 1950-15V":"113","NIST SRM 1950-30V":"116","NIST SRM 1950-45V":"23","HepG2 cells-15V":"10","HepG2 cells-30V":"43","HepG2 cells-45V":"59","Human urine-15V":"116738","Human urine-30V":"126777","Human urine-45V":"119079"},{"Metabolite":"NCGC00178486-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","Blank-15V":"903","Blank-30V":"957","Blank-45V":"1153","NIST SRM 1950-15V":"67","NIST SRM 1950-30V":"114","NIST SRM 1950-45V":"158","HepG2 cells-15V":"1165471","HepG2 cells-30V":"1231586","HepG2 cells-45V":"1297937","Human urine-15V":"63","Human urine-30V":"406","Human urine-45V":"69"},{"Metabolite":"Bufalin","Blank-15V":"12","Blank-30V":"21","Blank-45V":"6","NIST SRM 1950-15V":"5580","NIST SRM 1950-30V":"6067","NIST SRM 1950-45V":"4726","HepG2 cells-15V":"0","HepG2 cells-30V":"41","HepG2 cells-45V":"0","Human urine-15V":"865108","Human urine-30V":"838828","Human urine-45V":"749784"},{"Metabolite":"isochromophilone VI","Blank-15V":"13","Blank-30V":"2","Blank-45V":"6","NIST SRM 1950-15V":"20","NIST SRM 1950-30V":"1","NIST SRM 1950-45V":"10","HepG2 cells-15V":"17","HepG2 cells-30V":"25","HepG2 cells-45V":"81","Human urine-15V":"339","Human urine-30V":"871","Human urine-45V":"952"},{"Metabolite":"Glycolithocholic acid","Blank-15V":"564","Blank-30V":"116","Blank-45V":"66","NIST SRM 1950-15V":"15889","NIST SRM 1950-30V":"17400","NIST SRM 1950-45V":"12417","HepG2 cells-15V":"237","HepG2 cells-30V":"391","HepG2 cells-45V":"722","Human urine-15V":"63","Human urine-30V":"42","Human urine-45V":"25"},{"Metabolite":"Bis[2-(2-butoxyethoxy)ethyl] hexandioate","Blank-15V":"6","Blank-30V":"32","Blank-45V":"20","NIST SRM 1950-15V":"5972","NIST SRM 1950-30V":"6142","NIST SRM 1950-45V":"8352","HepG2 cells-15V":"15","HepG2 cells-30V":"46","HepG2 cells-45V":"483","Human urine-15V":"39247","Human urine-30V":"33269","Human urine-45V":"30757"},{"Metabolite":"Nonaethylene glycol","Blank-15V":"22","Blank-30V":"50","Blank-45V":"21","NIST SRM 1950-15V":"5303","NIST SRM 1950-30V":"5052","NIST SRM 1950-45V":"5512","HepG2 cells-15V":"1021","HepG2 cells-30V":"1575","HepG2 cells-45V":"1195","Human urine-15V":"33027","Human urine-30V":"42226","Human urine-45V":"30522"},{"Metabolite":"4-OHE2-1-N7Gua","Blank-15V":"47","Blank-30V":"2","Blank-45V":"8","NIST SRM 1950-15V":"14","NIST SRM 1950-30V":"4","NIST SRM 1950-45V":"73","HepG2 cells-15V":"5","HepG2 cells-30V":"0","HepG2 cells-45V":"35","Human urine-15V":"482","Human urine-30V":"981","Human urine-45V":"645"},{"Metabolite":"Daidzin","Blank-15V":"2","Blank-30V":"4","Blank-45V":"3","NIST SRM 1950-15V":"1","NIST SRM 1950-30V":"9","NIST SRM 1950-45V":"43","HepG2 cells-15V":"334279","HepG2 cells-30V":"29698","HepG2 cells-45V":"317076","Human urine-15V":"108","Human urine-30V":"740","Human urine-45V":"597"},{"Metabolite":"1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine","Blank-15V":"185","Blank-30V":"51","Blank-45V":"25","NIST SRM 1950-15V":"12420","NIST SRM 1950-30V":"12554","NIST SRM 1950-45V":"13562","HepG2 cells-15V":"13","HepG2 cells-30V":"18","HepG2 cells-45V":"7","Human urine-15V":"204","Human urine-30V":"376","Human urine-45V":"171"},{"Metabolite":"Oleanane -4H, + 2O","Blank-15V":"24","Blank-30V":"16","Blank-45V":"78","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"9","HepG2 cells-15V":"39","HepG2 cells-30V":"34","HepG2 cells-45V":"30","Human urine-15V":"71","Human urine-30V":"25","Human urine-45V":"37"},{"Metabolite":"Folic acid","Blank-15V":"2","Blank-30V":"10","Blank-45V":"17","NIST SRM 1950-15V":"5","NIST SRM 1950-30V":"72","NIST SRM 1950-45V":"0","HepG2 cells-15V":"5","HepG2 cells-30V":"59","HepG2 cells-45V":"1","Human urine-15V":"1194","Human urine-30V":"1282","Human urine-45V":"389"},{"Metabolite":"Baicalin","Blank-15V":"20","Blank-30V":"49","Blank-45V":"16","NIST SRM 1950-15V":"48","NIST SRM 1950-30V":"103","NIST SRM 1950-45V":"97","HepG2 cells-15V":"71","HepG2 cells-30V":"1","HepG2 cells-45V":"52","Human urine-15V":"208722","Human urine-30V":"196978","Human urine-45V":"178093"},{"Metabolite":"Luteolin-7-O-glucoside","Blank-15V":"19","Blank-30V":"24","Blank-45V":"50","NIST SRM 1950-15V":"199","NIST SRM 1950-30V":"213","NIST SRM 1950-45V":"5","HepG2 cells-15V":"7458","HepG2 cells-30V":"8075","HepG2 cells-45V":"7024","Human urine-15V":"38","Human urine-30V":"14","Human urine-45V":"44"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID","Blank-15V":"45","Blank-30V":"3","Blank-45V":"37","NIST SRM 1950-15V":"86932","NIST SRM 1950-30V":"78565","NIST SRM 1950-45V":"79530","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"20","Human urine-15V":"1875134","Human urine-30V":"2076762","Human urine-45V":"1865036"},{"Metabolite":"Arachidonoyl-carnitine; LC-tDDA; CE30","Blank-15V":"11","Blank-30V":"87","Blank-45V":"16","NIST SRM 1950-15V":"2565","NIST SRM 1950-30V":"1826","NIST SRM 1950-45V":"2305","HepG2 cells-15V":"462","HepG2 cells-30V":"187","HepG2 cells-45V":"552","Human urine-15V":"7","Human urine-30V":"12","Human urine-45V":"9"},{"Metabolite":"Glycodeoxycholic acid","Blank-15V":"76","Blank-30V":"96","Blank-45V":"61","NIST SRM 1950-15V":"30108","NIST SRM 1950-30V":"11017","NIST SRM 1950-45V":"9369","HepG2 cells-15V":"4155","HepG2 cells-30V":"3638","HepG2 cells-45V":"2916","Human urine-15V":"580","Human urine-30V":"633","Human urine-45V":"468"},{"Metabolite":"Glycochenodeoxycholic acid; LC-tDDA; CE40","Blank-15V":"30","Blank-30V":"10","Blank-45V":"11","NIST SRM 1950-15V":"82571","NIST SRM 1950-30V":"79842","NIST SRM 1950-45V":"82659","HepG2 cells-15V":"2","HepG2 cells-30V":"9","HepG2 cells-45V":"4","Human urine-15V":"26516","Human urine-30V":"27835","Human urine-45V":"20328"},{"Metabolite":"Glycochenodeoxycholic acid; LC-tDDA; CE20","Blank-15V":"85","Blank-30V":"41","Blank-45V":"11","NIST SRM 1950-15V":"473102","NIST SRM 1950-30V":"469125","NIST SRM 1950-45V":"446874","HepG2 cells-15V":"4989","HepG2 cells-30V":"74","HepG2 cells-45V":"62","Human urine-15V":"13041","Human urine-30V":"11568","Human urine-45V":"10050"},{"Metabolite":"NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-D-glucopyranosyloxy)-4,5,6,7,8,8a-hexahydro-5-hydroxy-5-(1-hydroxy-1-methylethyl)-3,8-dimethyl-","Blank-15V":"5","Blank-30V":"16","Blank-45V":"21","NIST SRM 1950-15V":"296","NIST SRM 1950-30V":"81","NIST SRM 1950-45V":"179","HepG2 cells-15V":"308","HepG2 cells-30V":"11","HepG2 cells-45V":"240","Human urine-15V":"13770","Human urine-30V":"12024","Human urine-45V":"10671"},{"Metabolite":"1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine","Blank-15V":"3759","Blank-30V":"525","Blank-45V":"421","NIST SRM 1950-15V":"1518","NIST SRM 1950-30V":"2059","NIST SRM 1950-45V":"963","HepG2 cells-15V":"231314","HepG2 cells-30V":"272672","HepG2 cells-45V":"218895","Human urine-15V":"10","Human urine-30V":"25","Human urine-45V":"10"},{"Metabolite":"oroxindin","Blank-15V":"8","Blank-30V":"2","Blank-45V":"4","NIST SRM 1950-15V":"109","NIST SRM 1950-30V":"114","NIST SRM 1950-45V":"73","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"17","Human urine-15V":"661886","Human urine-30V":"694289","Human urine-45V":"622678"},{"Metabolite":"Morphine_3_Glucuronide","Blank-15V":"12","Blank-30V":"56","Blank-45V":"24","NIST SRM 1950-15V":"1","NIST SRM 1950-30V":"33","NIST SRM 1950-45V":"7","HepG2 cells-15V":"48","HepG2 cells-30V":"369","HepG2 cells-45V":"11","Human urine-15V":"68","Human urine-30V":"575","Human urine-45V":"468"},{"Metabolite":"taurocholic acid","Blank-15V":"7","Blank-30V":"0","Blank-45V":"8","NIST SRM 1950-15V":"231","NIST SRM 1950-30V":"356","NIST SRM 1950-45V":"172","HepG2 cells-15V":"137","HepG2 cells-30V":"86","HepG2 cells-45V":"40","Human urine-15V":"4289","Human urine-30V":"3896","Human urine-45V":"2088"},{"Metabolite":"taurohyodeoxycholic acid","Blank-15V":"99","Blank-30V":"56","Blank-45V":"6","NIST SRM 1950-15V":"185","NIST SRM 1950-30V":"40","NIST SRM 1950-45V":"178","HepG2 cells-15V":"9","HepG2 cells-30V":"12","HepG2 cells-45V":"0","Human urine-15V":"853","Human urine-30V":"783","Human urine-45V":"4077"},{"Metabolite":"Glycocholic Acid","Blank-15V":"19","Blank-30V":"0","Blank-45V":"4","NIST SRM 1950-15V":"7730","NIST SRM 1950-30V":"8157","NIST SRM 1950-45V":"8391","HepG2 cells-15V":"0","HepG2 cells-30V":"306","HepG2 cells-45V":"84","Human urine-15V":"183884","Human urine-30V":"169217","Human urine-45V":"170019"},{"Metabolite":"Glycohyocholic acid","Blank-15V":"20","Blank-30V":"3","Blank-45V":"24","NIST SRM 1950-15V":"10647","NIST SRM 1950-30V":"10354","NIST SRM 1950-45V":"10433","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"22647","Human urine-30V":"27851","Human urine-45V":"27975"},{"Metabolite":"(E,6S)-7-hydroxy-2-methyl-6-[(10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid","Blank-15V":"72","Blank-30V":"4","Blank-45V":"23","NIST SRM 1950-15V":"153","NIST SRM 1950-30V":"360","NIST SRM 1950-45V":"191","HepG2 cells-15V":"2","HepG2 cells-30V":"260","HepG2 cells-45V":"84","Human urine-15V":"119","Human urine-30V":"743","Human urine-45V":"811"},{"Metabolite":"alpha-TOCHOPHERYL ACETATE","Blank-15V":"11258","Blank-30V":"8564","Blank-45V":"8125","NIST SRM 1950-15V":"97","NIST SRM 1950-30V":"69","NIST SRM 1950-45V":"279","HepG2 cells-15V":"3716","HepG2 cells-30V":"3204","HepG2 cells-45V":"2835","Human urine-15V":"479","Human urine-30V":"226","Human urine-45V":"56"},{"Metabolite":"Raloxifene","Blank-15V":"2","Blank-30V":"2","Blank-45V":"4","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"59","HepG2 cells-30V":"32","HepG2 cells-45V":"94","Human urine-15V":"1014","Human urine-30V":"227","Human urine-45V":"3340"},{"Metabolite":"LPE 18:3","Blank-15V":"39","Blank-30V":"14","Blank-45V":"11","NIST SRM 1950-15V":"40042","NIST SRM 1950-30V":"41461","NIST SRM 1950-45V":"39147","HepG2 cells-15V":"659","HepG2 cells-30V":"723","HepG2 cells-45V":"875","Human urine-15V":"31","Human urine-30V":"181","Human urine-45V":"198"},{"Metabolite":"LPE 18:2","Blank-15V":"1593","Blank-30V":"392","Blank-45V":"346","NIST SRM 1950-15V":"2769","NIST SRM 1950-30V":"1944","NIST SRM 1950-45V":"1204","HepG2 cells-15V":"20222","HepG2 cells-30V":"21131","HepG2 cells-45V":"14923","Human urine-15V":"70","Human urine-30V":"130","Human urine-45V":"43"},{"Metabolite":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","Blank-15V":"1211","Blank-30V":"233","Blank-45V":"179","NIST SRM 1950-15V":"25697","NIST SRM 1950-30V":"32438","NIST SRM 1950-45V":"40078","HepG2 cells-15V":"49534","HepG2 cells-30V":"58785","HepG2 cells-45V":"37097","Human urine-15V":"35","Human urine-30V":"104","Human urine-45V":"51"},{"Metabolite":"2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","Blank-15V":"125","Blank-30V":"23","Blank-45V":"19","NIST SRM 1950-15V":"564","NIST SRM 1950-30V":"336","NIST SRM 1950-45V":"541","HepG2 cells-15V":"107","HepG2 cells-30V":"15","HepG2 cells-45V":"47","Human urine-15V":"6872","Human urine-30V":"7390","Human urine-45V":"8839"},{"Metabolite":"LPE 18:1","Blank-15V":"10577","Blank-30V":"1951","Blank-45V":"1487","NIST SRM 1950-15V":"9671","NIST SRM 1950-30V":"5010","NIST SRM 1950-45V":"5571","HepG2 cells-15V":"223262","HepG2 cells-30V":"213243","HepG2 cells-45V":"188162","Human urine-15V":"85","Human urine-30V":"81","Human urine-45V":"115"},{"Metabolite":"Decaethylene glycol","Blank-15V":"33","Blank-30V":"4","Blank-45V":"3","NIST SRM 1950-15V":"4641","NIST SRM 1950-30V":"4176","NIST SRM 1950-45V":"3716","HepG2 cells-15V":"670","HepG2 cells-30V":"642","HepG2 cells-45V":"640","Human urine-15V":"69965","Human urine-30V":"70441","Human urine-45V":"65825"},{"Metabolite":"tauroursodeoxycholic acid","Blank-15V":"43","Blank-30V":"8","Blank-45V":"8","NIST SRM 1950-15V":"1166","NIST SRM 1950-30V":"583","NIST SRM 1950-45V":"799","HepG2 cells-15V":"90","HepG2 cells-30V":"272","HepG2 cells-45V":"495","Human urine-15V":"17746","Human urine-30V":"2351","Human urine-45V":"10832"},{"Metabolite":"1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","Blank-15V":"212","Blank-30V":"7","Blank-45V":"76","NIST SRM 1950-15V":"329018","NIST SRM 1950-30V":"319276","NIST SRM 1950-45V":"285761","HepG2 cells-15V":"6907","HepG2 cells-30V":"14072","HepG2 cells-45V":"9921","Human urine-15V":"82","Human urine-30V":"281","Human urine-45V":"300"},{"Metabolite":"NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one [IIN-based on: CCMSLIB00000845083]","Blank-15V":"13","Blank-30V":"0","Blank-45V":"0","NIST SRM 1950-15V":"18","NIST SRM 1950-30V":"143","NIST SRM 1950-45V":"76","HepG2 cells-15V":"0","HepG2 cells-30V":"1","HepG2 cells-45V":"0","Human urine-15V":"303","Human urine-30V":"442","Human urine-45V":"3020"},{"Metabolite":"PC(16:0/0:0)","Blank-15V":"462","Blank-30V":"227","Blank-45V":"44","NIST SRM 1950-15V":"55759","NIST SRM 1950-30V":"64077","NIST SRM 1950-45V":"62024","HepG2 cells-15V":"501","HepG2 cells-30V":"1157","HepG2 cells-45V":"881","Human urine-15V":"42","Human urine-30V":"25","Human urine-45V":"11"},{"Metabolite":"LPC 16:0","Blank-15V":"23977","Blank-30V":"3144","Blank-45V":"2967","NIST SRM 1950-15V":"77909","NIST SRM 1950-30V":"239579","NIST SRM 1950-45V":"302468","HepG2 cells-15V":"4842140","HepG2 cells-30V":"6033993","HepG2 cells-45V":"4787528","Human urine-15V":"47","Human urine-30V":"64","Human urine-45V":"51"},{"Metabolite":"(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate","Blank-15V":"19","Blank-30V":"9","Blank-45V":"11","NIST SRM 1950-15V":"86","NIST SRM 1950-30V":"166","NIST SRM 1950-45V":"201","HepG2 cells-15V":"0","HepG2 cells-30V":"13","HepG2 cells-45V":"0","Human urine-15V":"2929","Human urine-30V":"2624","Human urine-45V":"3036"},{"Metabolite":"2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","Blank-15V":"157","Blank-30V":"79","Blank-45V":"17","NIST SRM 1950-15V":"417","NIST SRM 1950-30V":"467","NIST SRM 1950-45V":"243","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"4467","Human urine-30V":"1749","Human urine-45V":"1832"},{"Metabolite":"taurodeoxycholic acid","Blank-15V":"13","Blank-30V":"8","Blank-45V":"42","NIST SRM 1950-15V":"164","NIST SRM 1950-30V":"323","NIST SRM 1950-45V":"319","HepG2 cells-15V":"34","HepG2 cells-30V":"203","HepG2 cells-45V":"324","Human urine-15V":"76","Human urine-30V":"44","Human urine-45V":"896"},{"Metabolite":"Taurodeoxycholate","Blank-15V":"14","Blank-30V":"9","Blank-45V":"4","NIST SRM 1950-15V":"55","NIST SRM 1950-30V":"141","NIST SRM 1950-45V":"75","HepG2 cells-15V":"817","HepG2 cells-30V":"1727","HepG2 cells-45V":"1298","Human urine-15V":"1061","Human urine-30V":"976","Human urine-45V":"1064"},{"Metabolite":"2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","Blank-15V":"21","Blank-30V":"7","Blank-45V":"14","NIST SRM 1950-15V":"18246","NIST SRM 1950-30V":"17627","NIST SRM 1950-45V":"16759","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"3202","Human urine-30V":"2418","Human urine-45V":"2207"},{"Metabolite":"hypericin","Blank-15V":"6","Blank-30V":"6","Blank-45V":"11","NIST SRM 1950-15V":"17374","NIST SRM 1950-30V":"27195","NIST SRM 1950-45V":"19149","HepG2 cells-15V":"2002","HepG2 cells-30V":"1026","HepG2 cells-45V":"1213","Human urine-15V":"8875","Human urine-30V":"8490","Human urine-45V":"8338"},{"Metabolite":"MALTOTRIOSE","Blank-15V":"3","Blank-30V":"0","Blank-45V":"12","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"0","Human urine-30V":"0","Human urine-45V":"252"},{"Metabolite":"1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","Blank-15V":"322","Blank-30V":"71","Blank-45V":"89","NIST SRM 1950-15V":"456939","NIST SRM 1950-30V":"281587","NIST SRM 1950-45V":"295562","HepG2 cells-15V":"119128","HepG2 cells-30V":"151671","HepG2 cells-45V":"119432","Human urine-15V":"124","Human urine-30V":"22","Human urine-45V":"12"},{"Metabolite":"Cucurbitacin I","Blank-15V":"2","Blank-30V":"0","Blank-45V":"3","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"78","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"1103","Human urine-30V":"597","Human urine-45V":"105"},{"Metabolite":"2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","Blank-15V":"37","Blank-30V":"13","Blank-45V":"29","NIST SRM 1950-15V":"669","NIST SRM 1950-30V":"450","NIST SRM 1950-45V":"370","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"615","Human urine-30V":"4371","Human urine-45V":"4566"},{"Metabolite":"Taurocholate","Blank-15V":"87","Blank-30V":"21","Blank-45V":"11","NIST SRM 1950-15V":"17","NIST SRM 1950-30V":"44","NIST SRM 1950-45V":"12","HepG2 cells-15V":"124","HepG2 cells-30V":"57","HepG2 cells-45V":"48","Human urine-15V":"2297","Human urine-30V":"1806","Human urine-45V":"926"},{"Metabolite":"?-Tauromuricholic acid","Blank-15V":"22","Blank-30V":"15","Blank-45V":"9","NIST SRM 1950-15V":"2524","NIST SRM 1950-30V":"2347","NIST SRM 1950-45V":"2397","HepG2 cells-15V":"208","HepG2 cells-30V":"268","HepG2 cells-45V":"102","Human urine-15V":"10254","Human urine-30V":"6963","Human urine-45V":"8229"},{"Metabolite":"LPC 18:3","Blank-15V":"60","Blank-30V":"57","Blank-45V":"36","NIST SRM 1950-15V":"756969","NIST SRM 1950-30V":"766777","NIST SRM 1950-45V":"692634","HepG2 cells-15V":"2333","HepG2 cells-30V":"336","HepG2 cells-45V":"376","Human urine-15V":"43","Human urine-30V":"123","Human urine-45V":"26"},{"Metabolite":"LPC 18:2","Blank-15V":"142","Blank-30V":"63","Blank-45V":"18","NIST SRM 1950-15V":"453706","NIST SRM 1950-30V":"431180","NIST SRM 1950-45V":"451396","HepG2 cells-15V":"36256","HepG2 cells-30V":"43746","HepG2 cells-45V":"40322","Human urine-15V":"69","Human urine-30V":"43","Human urine-45V":"148"},{"Metabolite":"Melezitose","Blank-15V":"31","Blank-30V":"8","Blank-45V":"13","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"67","HepG2 cells-30V":"0","HepG2 cells-45V":"64","Human urine-15V":"11","Human urine-30V":"67","Human urine-45V":"0"},{"Metabolite":"LPC 18:1","Blank-15V":"7514","Blank-30V":"896","Blank-45V":"654","NIST SRM 1950-15V":"1108402","NIST SRM 1950-30V":"783850","NIST SRM 1950-45V":"818405","HepG2 cells-15V":"1246298","HepG2 cells-30V":"1300194","HepG2 cells-45V":"1088166","Human urine-15V":"16","Human urine-30V":"33","Human urine-45V":"42"},{"Metabolite":"1-Stearoyl-sn-glycero-3-phosphocholine","Blank-15V":"585","Blank-30V":"195","Blank-45V":"155","NIST SRM 1950-15V":"134368","NIST SRM 1950-30V":"102671","NIST SRM 1950-45V":"88384","HepG2 cells-15V":"449","HepG2 cells-30V":"606","HepG2 cells-45V":"374","Human urine-15V":"632","Human urine-30V":"465","Human urine-45V":"410"},{"Metabolite":"LysoPC(0:0/18:0)","Blank-15V":"2092","Blank-30V":"718","Blank-45V":"345","NIST SRM 1950-15V":"30814022","NIST SRM 1950-30V":"28701236","NIST SRM 1950-45V":"26859450","HepG2 cells-15V":"13663","HepG2 cells-30V":"19992","HepG2 cells-45V":"19195","Human urine-15V":"3830","Human urine-30V":"3593","Human urine-45V":"3547"},{"Metabolite":"Flavone base + 3O, 2MeO, O-guaiacylglycerol","Blank-15V":"11","Blank-30V":"0","Blank-45V":"0","NIST SRM 1950-15V":"71","NIST SRM 1950-30V":"81","NIST SRM 1950-45V":"151","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"57","Human urine-30V":"1430","Human urine-45V":"856"},{"Metabolite":"Ceramide (d18:1/16:0)","Blank-15V":"4259","Blank-30V":"1826","Blank-45V":"2296","NIST SRM 1950-15V":"212","NIST SRM 1950-30V":"4621","NIST SRM 1950-45V":"98","HepG2 cells-15V":"349322","HepG2 cells-30V":"337389","HepG2 cells-45V":"304067","Human urine-15V":"92","Human urine-30V":"25","Human urine-45V":"164"},{"Metabolite":"18:1(2S-OH) Ceramide","Blank-15V":"7600","Blank-30V":"4995","Blank-45V":"4649","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"8","HepG2 cells-15V":"244863","HepG2 cells-30V":"287229","HepG2 cells-45V":"265042","Human urine-15V":"41","Human urine-30V":"268","Human urine-45V":"12"},{"Metabolite":"Leucine_Enkephalin","Blank-15V":"1255","Blank-30V":"1153","Blank-45V":"1055","NIST SRM 1950-15V":"5362974","NIST SRM 1950-30V":"5075062","NIST SRM 1950-45V":"5059566","HepG2 cells-15V":"927227","HepG2 cells-30V":"963927","HepG2 cells-45V":"736103","Human urine-15V":"4614490","Human urine-30V":"4125274","Human urine-45V":"4495642"},{"Metabolite":"Ceramide (d18:1/18:0)","Blank-15V":"3673","Blank-30V":"2109","Blank-45V":"2326","NIST SRM 1950-15V":"57","NIST SRM 1950-30V":"29","NIST SRM 1950-45V":"75","HepG2 cells-15V":"176405","HepG2 cells-30V":"160762","HepG2 cells-45V":"150625","Human urine-15V":"10","Human urine-30V":"36","Human urine-45V":"39"},{"Metabolite":"(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid","Blank-15V":"15","Blank-30V":"8","Blank-45V":"14","NIST SRM 1950-15V":"298","NIST SRM 1950-30V":"87","NIST SRM 1950-45V":"237","HepG2 cells-15V":"0","HepG2 cells-30V":"1","HepG2 cells-45V":"8","Human urine-15V":"96431","Human urine-30V":"90838","Human urine-45V":"92222"},{"Metabolite":"Biliverdin","Blank-15V":"55","Blank-30V":"28","Blank-45V":"0","NIST SRM 1950-15V":"51146","NIST SRM 1950-30V":"48548","NIST SRM 1950-45V":"47663","HepG2 cells-15V":"225","HepG2 cells-30V":"84","HepG2 cells-45V":"47","Human urine-15V":"13","Human urine-30V":"30","Human urine-45V":"14"},{"Metabolite":"N-C18:0 Phytoceramide","Blank-15V":"1576","Blank-30V":"438","Blank-45V":"721","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"639","HepG2 cells-30V":"1487","HepG2 cells-45V":"914","Human urine-15V":"40","Human urine-30V":"41","Human urine-45V":"0"},{"Metabolite":"Bilirubin","Blank-15V":"20","Blank-30V":"2","Blank-45V":"0","NIST SRM 1950-15V":"41011","NIST SRM 1950-30V":"48571","NIST SRM 1950-45V":"28886","HepG2 cells-15V":"8413","HepG2 cells-30V":"9504","HepG2 cells-45V":"7825","Human urine-15V":"24","Human urine-30V":"0","Human urine-45V":"9"},{"Metabolite":"(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid","Blank-15V":"0","Blank-30V":"12","Blank-45V":"14","NIST SRM 1950-15V":"1568","NIST SRM 1950-30V":"1197","NIST SRM 1950-45V":"1192","HepG2 cells-15V":"0","HepG2 cells-30V":"0","HepG2 cells-45V":"0","Human urine-15V":"147445","Human urine-30V":"135138","Human urine-45V":"136062"},{"Metabolite":"Deoxykhivorin","Blank-15V":"2","Blank-30V":"22","Blank-45V":"37","NIST SRM 1950-15V":"100","NIST SRM 1950-30V":"561","NIST SRM 1950-45V":"313","HepG2 cells-15V":"34","HepG2 cells-30V":"21","HepG2 cells-45V":"32","Human urine-15V":"0","Human urine-30V":"0","Human urine-45V":"45"},{"Metabolite":"Stercobilin","Blank-15V":"4","Blank-30V":"8","Blank-45V":"6","NIST SRM 1950-15V":"19971","NIST SRM 1950-30V":"20518","NIST SRM 1950-45V":"17872","HepG2 cells-15V":"1","HepG2 cells-30V":"31","HepG2 cells-45V":"0","Human urine-15V":"744093","Human urine-30V":"710965","Human urine-45V":"628469"},{"Metabolite":"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one","Blank-15V":"24","Blank-30V":"3","Blank-45V":"9","NIST SRM 1950-15V":"11","NIST SRM 1950-30V":"18","NIST SRM 1950-45V":"7","HepG2 cells-15V":"171","HepG2 cells-30V":"0","HepG2 cells-45V":"144","Human urine-15V":"91","Human urine-30V":"192","Human urine-45V":"339"},{"Metabolite":"5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one","Blank-15V":"21","Blank-30V":"7","Blank-45V":"11","NIST SRM 1950-15V":"33896","NIST SRM 1950-30V":"28369","NIST SRM 1950-45V":"22031","HepG2 cells-15V":"3544","HepG2 cells-30V":"4253","HepG2 cells-45V":"1960","Human urine-15V":"14843","Human urine-30V":"10741","Human urine-45V":"10823"},{"Metabolite":"Reserpine","Blank-15V":"0","Blank-30V":"123","Blank-45V":"0","NIST SRM 1950-15V":"5470","NIST SRM 1950-30V":"5438","NIST SRM 1950-45V":"6862","HepG2 cells-15V":"3451","HepG2 cells-30V":"1958","HepG2 cells-45V":"3558","Human urine-15V":"12","Human urine-30V":"10","Human urine-45V":"23"},{"Metabolite":"Glutathione oxidized","Blank-15V":"4490","Blank-30V":"2087","Blank-45V":"2332","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"177","HepG2 cells-15V":"644","HepG2 cells-30V":"587","HepG2 cells-45V":"2175","Human urine-15V":"0","Human urine-30V":"306","Human urine-45V":"283"},{"Metabolite":"N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide","Blank-15V":"3185","Blank-30V":"1311","Blank-45V":"790","NIST SRM 1950-15V":"199","NIST SRM 1950-30V":"40","NIST SRM 1950-45V":"54","HepG2 cells-15V":"469814","HepG2 cells-30V":"367341","HepG2 cells-45V":"384971","Human urine-15V":"0","Human urine-30V":"10","Human urine-45V":"0"},{"Metabolite":"3'-Dephosphocoenzyme A","Blank-15V":"0","Blank-30V":"0","Blank-45V":"0","NIST SRM 1950-15V":"429","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"210","HepG2 cells-15V":"512","HepG2 cells-30V":"822","HepG2 cells-45V":"303","Human urine-15V":"453","Human urine-30V":"316","Human urine-45V":"178"},{"Metabolite":"DG(20:5/0:0/20:5) (d5)","Blank-15V":"4056","Blank-30V":"2828","Blank-45V":"2046","NIST SRM 1950-15V":"268","NIST SRM 1950-30V":"24","NIST SRM 1950-45V":"506","HepG2 cells-15V":"4555","HepG2 cells-30V":"8737","HepG2 cells-45V":"4315","Human urine-15V":"12","Human urine-30V":"9","Human urine-45V":"66"},{"Metabolite":"DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d5)","Blank-15V":"1298","Blank-30V":"920","Blank-45V":"947","NIST SRM 1950-15V":"1738","NIST SRM 1950-30V":"2980","NIST SRM 1950-45V":"1822","HepG2 cells-15V":"1526367","HepG2 cells-30V":"1501604","HepG2 cells-45V":"1372929","Human urine-15V":"46","Human urine-30V":"62","Human urine-45V":"28"},{"Metabolite":"SPHINGOMYELIN","Blank-15V":"1931","Blank-30V":"979","Blank-45V":"888","NIST SRM 1950-15V":"14075","NIST SRM 1950-30V":"15078","NIST SRM 1950-45V":"16541","HepG2 cells-15V":"1385321","HepG2 cells-30V":"1402966","HepG2 cells-45V":"1212024","Human urine-15V":"117","Human urine-30V":"35","Human urine-45V":"31"},{"Metabolite":"alpha-Hederin","Blank-15V":"30","Blank-30V":"10","Blank-45V":"14","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"1","NIST SRM 1950-45V":"0","HepG2 cells-15V":"12355","HepG2 cells-30V":"18208","HepG2 cells-45V":"11438","Human urine-15V":"4","Human urine-30V":"26","Human urine-45V":"34"},{"Metabolite":"PC(16:0/18:1(9Z))","Blank-15V":"94866","Blank-30V":"47406","Blank-45V":"44205","NIST SRM 1950-15V":"962879","NIST SRM 1950-30V":"593526","NIST SRM 1950-45V":"606376","HepG2 cells-15V":"66904888","HepG2 cells-30V":"63221852","HepG2 cells-45V":"58779308","Human urine-15V":"232","Human urine-30V":"451","Human urine-45V":"255"},{"Metabolite":"[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate","Blank-15V":"2310","Blank-30V":"841","Blank-45V":"1639","NIST SRM 1950-15V":"4723","NIST SRM 1950-30V":"5285","NIST SRM 1950-45V":"3757","HepG2 cells-15V":"23770314","HepG2 cells-30V":"24828974","HepG2 cells-45V":"22895518","Human urine-15V":"40","Human urine-30V":"0","Human urine-45V":"49"},{"Metabolite":"L-Thyroxine","Blank-15V":"163","Blank-30V":"19","Blank-45V":"13","NIST SRM 1950-15V":"37884","NIST SRM 1950-30V":"32354","NIST SRM 1950-45V":"31522","HepG2 cells-15V":"224","HepG2 cells-30V":"259","HepG2 cells-45V":"267","Human urine-15V":"230","Human urine-30V":"305","Human urine-45V":"172"},{"Metabolite":"Saikosaponin a","Blank-15V":"20","Blank-30V":"58","Blank-45V":"24","NIST SRM 1950-15V":"256","NIST SRM 1950-30V":"265","NIST SRM 1950-45V":"294","HepG2 cells-15V":"87516","HepG2 cells-30V":"103306","HepG2 cells-45V":"77378","Human urine-15V":"0","Human urine-30V":"15","Human urine-45V":"0"},{"Metabolite":"(R)-4-((3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"198","Blank-30V":"98","Blank-45V":"31","NIST SRM 1950-15V":"338","NIST SRM 1950-30V":"60","NIST SRM 1950-45V":"170","HepG2 cells-15V":"195","HepG2 cells-30V":"334","HepG2 cells-45V":"132","Human urine-15V":"735","Human urine-30V":"150","Human urine-45V":"275"},{"Metabolite":"(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"269","Blank-30V":"17","Blank-45V":"247","NIST SRM 1950-15V":"9","NIST SRM 1950-30V":"391","NIST SRM 1950-45V":"89","HepG2 cells-15V":"58","HepG2 cells-30V":"305","HepG2 cells-45V":"501","Human urine-15V":"0","Human urine-30V":"0","Human urine-45V":"24"},{"Metabolite":"Flavin??adenine??dinucleotide","Blank-15V":"0","Blank-30V":"2","Blank-45V":"4","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"11","NIST SRM 1950-45V":"0","HepG2 cells-15V":"56416","HepG2 cells-30V":"372816","HepG2 cells-45V":"59601","Human urine-15V":"74","Human urine-30V":"407","Human urine-45V":"432"},{"Metabolite":"PC 17:0-20:3-d5_ISTD","Blank-15V":"732","Blank-30V":"733","Blank-45V":"130","NIST SRM 1950-15V":"58","NIST SRM 1950-30V":"64","NIST SRM 1950-45V":"0","HepG2 cells-15V":"265969","HepG2 cells-30V":"315818","HepG2 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urine-45V":"60"},{"Metabolite":"(4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"129","Blank-30V":"25","Blank-45V":"8","NIST SRM 1950-15V":"15","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"441","HepG2 cells-30V":"357","HepG2 cells-45V":"702","Human urine-15V":"54","Human urine-30V":"128","Human urine-45V":"0"},{"Metabolite":"Tripalmitin","Blank-15V":"54502","Blank-30V":"14365","Blank-45V":"1331","NIST SRM 1950-15V":"30","NIST SRM 1950-30V":"17","NIST SRM 1950-45V":"0","HepG2 cells-15V":"63124","HepG2 cells-30V":"59727","HepG2 cells-45V":"61923","Human urine-15V":"13","Human urine-30V":"15","Human urine-45V":"7"},{"Metabolite":"(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Blank-15V":"229","Blank-30V":"62","Blank-45V":"54","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"1","NIST SRM 1950-45V":"250","HepG2 cells-15V":"750","HepG2 cells-30V":"897","HepG2 cells-45V":"1006","Human urine-15V":"37","Human urine-30V":"750","Human urine-45V":"99"},{"Metabolite":"Cerebroside","Blank-15V":"1023","Blank-30V":"1508","Blank-45V":"891","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"26219","HepG2 cells-30V":"24063","HepG2 cells-45V":"20036","Human urine-15V":"0","Human urine-30V":"0","Human urine-45V":"0"},{"Metabolite":"TAG(50:1)","Blank-15V":"413574","Blank-30V":"12647","Blank-45V":"8174","NIST SRM 1950-15V":"25","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"0","HepG2 cells-15V":"590478","HepG2 cells-30V":"417977","HepG2 cells-45V":"447511","Human urine-15V":"46","Human urine-30V":"4","Human urine-45V":"9"},{"Metabolite":"C16 Lactosyl Ceramide (d18:1/16:0)","Blank-15V":"248","Blank-30V":"416","Blank-45V":"76","NIST SRM 1950-15V":"58585","NIST SRM 1950-30V":"60878","NIST SRM 1950-45V":"55525","HepG2 cells-15V":"897","HepG2 cells-30V":"646","HepG2 cells-45V":"1274","Human urine-15V":"154","Human urine-30V":"164","Human urine-45V":"113"},{"Metabolite":"Triacylglycerol 16:0-18:1-18:1","Blank-15V":"1126342","Blank-30V":"11414","Blank-45V":"6998","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"10","NIST SRM 1950-45V":"6","HepG2 cells-15V":"1198505","HepG2 cells-30V":"1099763","HepG2 cells-45V":"1149945","Human urine-15V":"15","Human urine-30V":"21","Human urine-45V":"23"},{"Metabolite":"Glyceryl trioleate","Blank-15V":"58540","Blank-30V":"719","Blank-45V":"458","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"16","NIST SRM 1950-45V":"0","HepG2 cells-15V":"50025","HepG2 cells-30V":"64911","HepG2 cells-45V":"71547","Human urine-15V":"38","Human urine-30V":"13","Human urine-45V":"16"},{"Metabolite":"Saikosaponin C","Blank-15V":"1349","Blank-30V":"186","Blank-45V":"0","NIST SRM 1950-15V":"129","NIST SRM 1950-30V":"430","NIST SRM 1950-45V":"297","HepG2 cells-15V":"14199","HepG2 cells-30V":"18458","HepG2 cells-45V":"10633","Human urine-15V":"118","Human urine-30V":"70","Human urine-45V":"144"},{"Metabolite":"(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid","Blank-15V":"21","Blank-30V":"23","Blank-45V":"48","NIST SRM 1950-15V":"41","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"9","HepG2 cells-15V":"289","HepG2 cells-30V":"32","HepG2 cells-45V":"174","Human urine-15V":"32","Human urine-30V":"38","Human urine-45V":"12"},{"Metabolite":"2-((4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","Blank-15V":"42","Blank-30V":"13","Blank-45V":"4","NIST SRM 1950-15V":"0","NIST SRM 1950-30V":"0","NIST SRM 1950-45V":"12","HepG2 cells-15V":"19","HepG2 cells-30V":"40","HepG2 cells-45V":"51","Human urine-15V":"306","Human urine-30V":"544","Human urine-45V":"38"}],

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acid","retention index":"10.474","quantified m/z":"943.5235","PubChem ID":"NA","KEGG ID":"NA"},{"Metabolite":"2-((4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","retention index":"9.098","quantified m/z":"1031.59033","PubChem ID":"NA","KEGG ID":"NA"}]
}

}