{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001875","ANALYSIS_ID":"AN003037","VERSION":"1","CREATED_ON":"July 19, 2021, 11:19 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 2","STUDY_SUMMARY":"Metabolomics analysis of multiple samples from mouse, 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":"Mammal","SUBJECT_SPECIES":"Mus musculus"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Mouse faeces-15V",
"Factors":{"Source":"Mouse feces","MS2 CE":"15V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Feces-15V"}
},
{
"Subject ID":"-",
"Sample ID":"Mouse faeces-30V",
"Factors":{"Source":"Mouse feces","MS2 CE":"30V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Feces-30V"}
},
{
"Subject ID":"-",
"Sample ID":"Mouse faeces-45V",
"Factors":{"Source":"Mouse feces","MS2 CE":"45V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Feces-45V"}
},
{
"Subject ID":"-",
"Sample ID":"Mouse liver tissue-15V",
"Factors":{"Source":"Mouse liver","MS2 CE":"15V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Liver-15V"}
},
{
"Subject ID":"-",
"Sample ID":"Mouse liver tissue-30V",
"Factors":{"Source":"Mouse liver","MS2 CE":"30V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Liver-30V"}
},
{
"Subject ID":"-",
"Sample ID":"Mouse liver tissue-45V",
"Factors":{"Source":"Mouse liver","MS2 CE":"45V"},
"Additional sample data":{"batch":"1","RAW_FILE_NAME":"Liver-45V"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Faecal samples and liver tissue were collected and immediately stored at -80 °C for further analysis.","SAMPLE_TYPE":"Mouse feces and liver","STORAGE_CONDITIONS":"-80℃"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Mouse liver tissue: 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 were collected and immediately stored at -80 °C for further analysis. After the mice were sacrificed, liver tissue was sampled, immediately frozen in liquid nitrogen, and then stored at -80 °C. The study was approved by the Animal Ethics Committee of Saiye Biology (ACU20-A027). Mouse liver tissue (20 mg) and 600 μL CH3OH/H2O (8:2, vol/vol) solvent were combined in a centrifuge tube and then homogenized (28 Hz, 60 s and 30 s) in a frozen mixed ball grinding machine (MM400, Retsch Technology, Han, Germany). The mixture was centrifuged for 10 min at 15,000 g and 4 °C, 500 μL of supernatant was transferred to a new centrifuge tube for lyophilization, and the residue was reconstituted with 100 μL of Mix-IS-MeOH.Mouse faeces: A 60 mg sample of mouse faeces and 600 μL CH3OH/H2O (8:2, vol/vol) solvent were combined in a centrifuge tube and then homogenized (28 Hz, 60 s and 30 s) in a frozen mixed ball grinding machine (MM400, Retsch Technology, Han, Germany). The mixture was centrifuged for 10 min at 15,000 g and 4 °C; then, 500 μL of supernatant was transferred to a new centrifuge tube for lyophilization, and the residue was reconstituted with 100 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","Mouse faeces-15V":"44791","Mouse faeces-30V":"48659","Mouse faeces-45V":"49203","Mouse liver tissue-15V":"68729","Mouse liver tissue-30V":"67406","Mouse liver tissue-45V":"63775"},{"Metabolite":"Pyrrolidine","Mouse faeces-15V":"36796","Mouse faeces-30V":"32558","Mouse faeces-45V":"34465","Mouse liver tissue-15V":"8214","Mouse liver tissue-30V":"8712","Mouse liver tissue-45V":"9139"},{"Metabolite":"BUTANAL","Mouse faeces-15V":"12562","Mouse faeces-30V":"12366","Mouse faeces-45V":"10995","Mouse liver tissue-15V":"25968","Mouse liver tissue-30V":"22956","Mouse liver tissue-45V":"20909"},{"Metabolite":"N,N-Dimethylformamide","Mouse faeces-15V":"180802","Mouse faeces-30V":"149529","Mouse faeces-45V":"147958","Mouse liver tissue-15V":"183693","Mouse liver tissue-30V":"151574","Mouse liver tissue-45V":"156729"},{"Metabolite":"GLYCINE","Mouse faeces-15V":"986","Mouse faeces-30V":"328","Mouse faeces-45V":"2108","Mouse liver tissue-15V":"1024","Mouse liver tissue-30V":"4351","Mouse liver tissue-45V":"3928"},{"Metabolite":"TRIMETHYLAMINE N-OXIDE","Mouse faeces-15V":"572","Mouse faeces-30V":"223","Mouse faeces-45V":"417","Mouse liver tissue-15V":"2","Mouse liver tissue-30V":"343","Mouse liver tissue-45V":"206"},{"Metabolite":"2-Aminoethanethiol","Mouse faeces-15V":"802","Mouse faeces-30V":"670","Mouse faeces-45V":"780","Mouse liver tissue-15V":"2077","Mouse liver tissue-30V":"2387","Mouse liver tissue-45V":"314"},{"Metabolite":"Dimethyl??sulfoxide","Mouse faeces-15V":"10020","Mouse faeces-30V":"11008","Mouse faeces-45V":"10052","Mouse liver tissue-15V":"8138","Mouse liver tissue-30V":"16573","Mouse liver tissue-45V":"6439"},{"Metabolite":"Dimethyl sulfoxide","Mouse faeces-15V":"15069","Mouse faeces-30V":"9131","Mouse faeces-45V":"11997","Mouse liver tissue-15V":"8690","Mouse liver tissue-30V":"4756","Mouse liver tissue-45V":"4326"},{"Metabolite":"Pyridine","Mouse faeces-15V":"63441","Mouse faeces-30V":"70892","Mouse faeces-45V":"52347","Mouse liver tissue-15V":"186181","Mouse liver tissue-30V":"189785","Mouse liver tissue-45V":"193720"},{"Metabolite":"Pyrimidine","Mouse faeces-15V":"59862","Mouse faeces-30V":"53939","Mouse faeces-45V":"58216","Mouse liver tissue-15V":"6090","Mouse liver tissue-30V":"3598","Mouse liver tissue-45V":"2892"},{"Metabolite":"2-Pyrrolidinone; AIF; CE10; CorrDec","Mouse faeces-15V":"36979","Mouse faeces-30V":"24458","Mouse faeces-45V":"25653","Mouse liver tissue-15V":"3826","Mouse liver tissue-30V":"4201","Mouse liver tissue-45V":"8427"},{"Metabolite":"2-Methylpyrrolidine","Mouse faeces-15V":"8295","Mouse faeces-30V":"6454","Mouse faeces-45V":"7474","Mouse liver tissue-15V":"4267","Mouse liver tissue-30V":"3539","Mouse liver tissue-45V":"4389"},{"Metabolite":"SARCOSINE","Mouse faeces-15V":"39694","Mouse faeces-30V":"41180","Mouse faeces-45V":"38513","Mouse liver tissue-15V":"122582","Mouse liver tissue-30V":"131901","Mouse liver tissue-45V":"130362"},{"Metabolite":"beta-Alanine","Mouse faeces-15V":"3371","Mouse faeces-30V":"2413","Mouse faeces-45V":"2469","Mouse liver tissue-15V":"1111","Mouse liver tissue-30V":"10666","Mouse liver tissue-45V":"9875"},{"Metabolite":"Aniline","Mouse faeces-15V":"377","Mouse faeces-30V":"1298","Mouse faeces-45V":"2305","Mouse liver tissue-15V":"2949","Mouse liver tissue-30V":"38457","Mouse liver tissue-45V":"38294"},{"Metabolite":"Aniline; AIF; CE30; CorrDec","Mouse faeces-15V":"1222","Mouse faeces-30V":"1538","Mouse faeces-45V":"2359","Mouse liver tissue-15V":"43460","Mouse liver tissue-30V":"39098","Mouse liver tissue-45V":"39480"},{"Metabolite":"4-Methylpyrimidine","Mouse faeces-15V":"44075","Mouse faeces-30V":"40824","Mouse faeces-45V":"38826","Mouse liver tissue-15V":"4928","Mouse liver tissue-30V":"6688","Mouse liver tissue-45V":"6629"},{"Metabolite":"2-HYDROXYPYRIDINE","Mouse faeces-15V":"7821","Mouse faeces-30V":"10260","Mouse faeces-45V":"6932","Mouse liver tissue-15V":"17257","Mouse liver tissue-30V":"22607","Mouse liver tissue-45V":"14395"},{"Metabolite":"Ortophosphate","Mouse faeces-15V":"1694","Mouse faeces-30V":"3044","Mouse faeces-45V":"2717","Mouse liver tissue-15V":"175024","Mouse liver tissue-30V":"152110","Mouse liver tissue-45V":"154932"},{"Metabolite":"2-Piperidone","Mouse faeces-15V":"80368","Mouse faeces-30V":"64451","Mouse faeces-45V":"71703","Mouse liver tissue-15V":"2192","Mouse liver tissue-30V":"4240","Mouse liver tissue-45V":"3534"},{"Metabolite":"5-VALEROLACTONE","Mouse faeces-15V":"319349","Mouse faeces-30V":"279601","Mouse faeces-45V":"299112","Mouse liver tissue-15V":"2321","Mouse liver tissue-30V":"4884","Mouse liver tissue-45V":"4088"},{"Metabolite":"Hexylamine","Mouse faeces-15V":"355579","Mouse faeces-30V":"57604","Mouse faeces-45V":"20034","Mouse liver tissue-15V":"136215","Mouse liver tissue-30V":"173836","Mouse liver tissue-45V":"111398"},{"Metabolite":"4-AMINOBUTANOIC ACID","Mouse faeces-15V":"14643","Mouse faeces-30V":"13501","Mouse faeces-45V":"13191","Mouse liver tissue-15V":"52418","Mouse liver tissue-30V":"66378","Mouse liver tissue-45V":"66076"},{"Metabolite":"CHOLINE","Mouse faeces-15V":"593814","Mouse faeces-30V":"646237","Mouse faeces-45V":"604262","Mouse liver tissue-15V":"1370325","Mouse liver tissue-30V":"1354792","Mouse liver tissue-45V":"1373832"},{"Metabolite":"BENZALDEHYDE","Mouse faeces-15V":"37844","Mouse faeces-30V":"7250","Mouse faeces-45V":"30630","Mouse liver tissue-15V":"4171","Mouse liver tissue-30V":"182496","Mouse liver tissue-45V":"175938"},{"Metabolite":"Catechol","Mouse faeces-15V":"4","Mouse faeces-30V":"69","Mouse faeces-45V":"165","Mouse liver tissue-15V":"142","Mouse liver tissue-30V":"99","Mouse liver tissue-45V":"352"},{"Metabolite":"3-Aminophenol; LC-tDDA; CE10","Mouse faeces-15V":"438","Mouse faeces-30V":"1269","Mouse faeces-45V":"704","Mouse liver tissue-15V":"277","Mouse liver tissue-30V":"338","Mouse liver tissue-45V":"1431"},{"Metabolite":"CYTOSINE","Mouse faeces-15V":"9993","Mouse faeces-30V":"7562","Mouse faeces-45V":"12384","Mouse liver tissue-15V":"5803","Mouse liver tissue-30V":"5064","Mouse liver tissue-45V":"8249"},{"Metabolite":"URACIL","Mouse faeces-15V":"434884","Mouse faeces-30V":"269593","Mouse faeces-45V":"295050","Mouse liver tissue-15V":"94028","Mouse liver tissue-30V":"184580","Mouse liver tissue-45V":"60905"},{"Metabolite":"CREATININE","Mouse faeces-15V":"62","Mouse faeces-30V":"892","Mouse faeces-45V":"482","Mouse liver tissue-15V":"85","Mouse liver tissue-30V":"160","Mouse liver tissue-45V":"179"},{"Metabolite":"GAMMA-CAPROLACTONE","Mouse faeces-15V":"1120","Mouse faeces-30V":"859","Mouse faeces-45V":"387","Mouse liver tissue-15V":"1564","Mouse liver tissue-30V":"1272","Mouse liver tissue-45V":"1794"},{"Metabolite":"L-Proline","Mouse faeces-15V":"3152","Mouse faeces-30V":"2714","Mouse faeces-45V":"2044","Mouse liver tissue-15V":"163075","Mouse liver tissue-30V":"180738","Mouse liver tissue-45V":"129249"},{"Metabolite":"Proline","Mouse faeces-15V":"13148","Mouse faeces-30V":"14735","Mouse faeces-45V":"7202","Mouse liver tissue-15V":"6082","Mouse liver tissue-30V":"5586","Mouse liver tissue-45V":"4420"},{"Metabolite":"3-METHYL-2-OXOBUTANOIC ACID","Mouse faeces-15V":"675","Mouse faeces-30V":"817","Mouse faeces-45V":"654","Mouse liver tissue-15V":"34453","Mouse liver tissue-30V":"4448","Mouse liver tissue-45V":"4441"},{"Metabolite":"Glycocyamine","Mouse faeces-15V":"3295","Mouse faeces-30V":"6651","Mouse faeces-45V":"6642","Mouse liver tissue-15V":"15987","Mouse liver tissue-30V":"14952","Mouse liver tissue-45V":"6969"},{"Metabolite":"INDOLE","Mouse faeces-15V":"3272","Mouse faeces-30V":"14321","Mouse faeces-45V":"2173","Mouse liver tissue-15V":"138512","Mouse liver tissue-30V":"24417","Mouse liver tissue-45V":"123453"},{"Metabolite":"Norvaline","Mouse faeces-15V":"17870","Mouse faeces-30V":"15109","Mouse faeces-45V":"13148","Mouse liver tissue-15V":"141203","Mouse liver tissue-30V":"132032","Mouse liver tissue-45V":"126437"},{"Metabolite":"BETAINE","Mouse faeces-15V":"45548","Mouse faeces-30V":"34837","Mouse faeces-45V":"41932","Mouse liver tissue-15V":"48735","Mouse liver tissue-30V":"95814","Mouse liver tissue-45V":"84227"},{"Metabolite":"Betaine; CE30","Mouse faeces-15V":"16391","Mouse faeces-30V":"53949","Mouse faeces-45V":"34029","Mouse liver tissue-15V":"66879","Mouse liver tissue-30V":"52843","Mouse liver tissue-45V":"76388"},{"Metabolite":"Valine","Mouse faeces-15V":"16684","Mouse faeces-30V":"26117","Mouse faeces-45V":"14075","Mouse liver tissue-15V":"49874","Mouse liver tissue-30V":"14609","Mouse liver tissue-45V":"71806"},{"Metabolite":"ANTHRANILATE","Mouse faeces-15V":"195","Mouse faeces-30V":"910","Mouse faeces-45V":"402","Mouse liver tissue-15V":"1694","Mouse liver tissue-30V":"5550","Mouse liver tissue-45V":"1144"},{"Metabolite":"2-Hydroxybenzonitrile","Mouse faeces-15V":"2498","Mouse faeces-30V":"2893","Mouse faeces-45V":"2511","Mouse liver tissue-15V":"77772","Mouse liver tissue-30V":"72120","Mouse liver tissue-45V":"74315"},{"Metabolite":"Threonine","Mouse faeces-15V":"8929","Mouse faeces-30V":"8958","Mouse faeces-45V":"8543","Mouse liver tissue-15V":"31766","Mouse liver tissue-30V":"31275","Mouse liver tissue-45V":"28136"},{"Metabolite":"Indoline","Mouse faeces-15V":"14306","Mouse faeces-30V":"11844","Mouse faeces-45V":"12162","Mouse liver tissue-15V":"21666","Mouse liver tissue-30V":"20064","Mouse liver tissue-45V":"20622"},{"Metabolite":"PHENYLETHANOLAMINE","Mouse faeces-15V":"2989200","Mouse faeces-30V":"2482436","Mouse faeces-45V":"2352700","Mouse liver tissue-15V":"765410","Mouse liver tissue-30V":"13441768","Mouse liver tissue-45V":"12917381"},{"Metabolite":"Benzoic acid","Mouse faeces-15V":"37407","Mouse faeces-30V":"36777","Mouse faeces-45V":"33353","Mouse liver tissue-15V":"40891","Mouse liver tissue-30V":"37547","Mouse liver tissue-45V":"37329"},{"Metabolite":"4-hydroxybenzaldehyde","Mouse faeces-15V":"96","Mouse faeces-30V":"53","Mouse faeces-45V":"645","Mouse liver tissue-15V":"264","Mouse liver tissue-30V":"0","Mouse liver tissue-45V":"0"},{"Metabolite":"Tyramine","Mouse faeces-15V":"338","Mouse faeces-30V":"1288","Mouse faeces-45V":"1757","Mouse liver tissue-15V":"142","Mouse liver tissue-30V":"100","Mouse liver tissue-45V":"25"},{"Metabolite":"Cysteine","Mouse faeces-15V":"172","Mouse faeces-30V":"267","Mouse faeces-45V":"129","Mouse liver tissue-15V":"77","Mouse liver tissue-30V":"204","Mouse liver tissue-45V":"140"},{"Metabolite":"2,4,6-Trimethylpyridine","Mouse faeces-15V":"4333","Mouse faeces-30V":"5672","Mouse faeces-45V":"4660","Mouse liver tissue-15V":"2398","Mouse liver tissue-30V":"678","Mouse liver tissue-45V":"414"},{"Metabolite":"2,6-Xylidine","Mouse faeces-15V":"5888","Mouse faeces-30V":"3007","Mouse faeces-45V":"1729","Mouse liver tissue-15V":"4131","Mouse liver tissue-30V":"2391","Mouse liver tissue-45V":"1852"},{"Metabolite":"Nicotinamide","Mouse faeces-15V":"82872","Mouse faeces-30V":"90200","Mouse faeces-45V":"95486","Mouse liver tissue-15V":"7110062","Mouse liver tissue-30V":"6679771","Mouse liver tissue-45V":"5675765"},{"Metabolite":"2-Acetylpyrazine","Mouse faeces-15V":"329660","Mouse faeces-30V":"297712","Mouse faeces-45V":"293042","Mouse liver tissue-15V":"5893","Mouse liver tissue-30V":"3473","Mouse liver tissue-45V":"3723"},{"Metabolite":"Picolinic acid","Mouse faeces-15V":"1564","Mouse faeces-30V":"656","Mouse faeces-45V":"1787","Mouse liver tissue-15V":"335","Mouse liver tissue-30V":"80","Mouse liver tissue-45V":"211"},{"Metabolite":"NICOTINIC ACID","Mouse faeces-15V":"2516150","Mouse faeces-30V":"2162411","Mouse faeces-45V":"2212184","Mouse liver tissue-15V":"78536","Mouse liver tissue-30V":"77366","Mouse liver tissue-45V":"75933"},{"Metabolite":"4-Methoxyaniline","Mouse faeces-15V":"2759","Mouse faeces-30V":"2915","Mouse faeces-45V":"7177","Mouse liver tissue-15V":"2138","Mouse liver tissue-30V":"1096","Mouse liver tissue-45V":"839"},{"Metabolite":"Taurine; LC-tDDA; CE40","Mouse faeces-15V":"7201","Mouse faeces-30V":"18321","Mouse faeces-45V":"19428","Mouse liver tissue-15V":"95690","Mouse liver tissue-30V":"128728","Mouse liver tissue-45V":"310601"},{"Metabolite":"Taurine; LC-tDDA; CE10","Mouse faeces-15V":"1287","Mouse faeces-30V":"4088","Mouse faeces-45V":"5600","Mouse liver tissue-15V":"289649","Mouse liver tissue-30V":"290862","Mouse liver tissue-45V":"97192"},{"Metabolite":"5-Methylcytosine","Mouse faeces-15V":"35000","Mouse faeces-30V":"39281","Mouse faeces-45V":"32679","Mouse liver tissue-15V":"9732","Mouse liver tissue-30V":"12972","Mouse liver tissue-45V":"19126"},{"Metabolite":"3-METHYLHISTAMINE","Mouse faeces-15V":"8369","Mouse faeces-30V":"8221","Mouse faeces-45V":"6996","Mouse liver tissue-15V":"1081","Mouse liver tissue-30V":"1383","Mouse liver tissue-45V":"1582"},{"Metabolite":"4-Hydroxy-6-methyl-2-pyrone","Mouse faeces-15V":"7871","Mouse faeces-30V":"10034","Mouse faeces-45V":"6614","Mouse liver tissue-15V":"2624","Mouse liver tissue-30V":"2136","Mouse liver tissue-45V":"7804"},{"Metabolite":"Maltol","Mouse faeces-15V":"25288","Mouse faeces-30V":"20478","Mouse faeces-45V":"23219","Mouse liver tissue-15V":"6070","Mouse liver tissue-30V":"6891","Mouse liver tissue-45V":"4359"},{"Metabolite":"3-HYDROXY-2-METHYL-4-PYRONE","Mouse faeces-15V":"12996","Mouse faeces-30V":"8799","Mouse faeces-45V":"7485","Mouse liver tissue-15V":"2549","Mouse liver tissue-30V":"7184","Mouse liver tissue-45V":"7448"},{"Metabolite":"THYMINE","Mouse faeces-15V":"231134","Mouse faeces-30V":"197151","Mouse faeces-45V":"167548","Mouse liver tissue-15V":"16346","Mouse liver tissue-30V":"17094","Mouse liver tissue-45V":"16187"},{"Metabolite":"Naphthalene","Mouse faeces-15V":"25295","Mouse faeces-30V":"16160","Mouse faeces-45V":"21120","Mouse liver tissue-15V":"969","Mouse liver tissue-30V":"667","Mouse liver tissue-45V":"704"},{"Metabolite":"DL-Coniine","Mouse faeces-15V":"747","Mouse faeces-30V":"836","Mouse faeces-45V":"488","Mouse liver tissue-15V":"6734","Mouse liver tissue-30V":"980","Mouse liver tissue-45V":"1367"},{"Metabolite":"Pyroglutamate","Mouse faeces-15V":"46036","Mouse faeces-30V":"37914","Mouse faeces-45V":"43022","Mouse liver tissue-15V":"216066","Mouse liver tissue-30V":"204833","Mouse liver tissue-45V":"203682"},{"Metabolite":"5-OXO-D-PROLINE","Mouse faeces-15V":"1338","Mouse faeces-30V":"555","Mouse faeces-45V":"642","Mouse liver tissue-15V":"4411","Mouse liver tissue-30V":"2350","Mouse liver tissue-45V":"3051"},{"Metabolite":"PYROGLUTAMIC ACID","Mouse faeces-15V":"827","Mouse faeces-30V":"1719","Mouse faeces-45V":"1790","Mouse liver tissue-15V":"5836","Mouse liver tissue-30V":"4338","Mouse liver tissue-45V":"2607"},{"Metabolite":"delta-Aminolevulinic acid","Mouse faeces-15V":"461","Mouse faeces-30V":"210","Mouse faeces-45V":"1101","Mouse liver tissue-15V":"330","Mouse liver tissue-30V":"142","Mouse liver tissue-45V":"815"},{"Metabolite":"Quinoline; LC-tDDA; CE30","Mouse faeces-15V":"3477","Mouse faeces-30V":"6038","Mouse faeces-45V":"2952","Mouse liver tissue-15V":"6271","Mouse liver tissue-30V":"4639","Mouse liver tissue-45V":"4378"},{"Metabolite":"Indole-3-carbinol","Mouse faeces-15V":"17968","Mouse faeces-30V":"19117","Mouse faeces-45V":"16176","Mouse liver tissue-15V":"2115","Mouse liver tissue-30V":"1290","Mouse liver tissue-45V":"4486"},{"Metabolite":"Quinoline; LC-tDDA; CE20","Mouse faeces-15V":"3137","Mouse faeces-30V":"10980","Mouse faeces-45V":"2784","Mouse liver tissue-15V":"93391","Mouse liver tissue-30V":"18301","Mouse liver tissue-45V":"63988"},{"Metabolite":"PIPECOLIC ACID","Mouse faeces-15V":"55927","Mouse faeces-30V":"50333","Mouse faeces-45V":"47950","Mouse liver tissue-15V":"323477","Mouse liver tissue-30V":"283363","Mouse liver tissue-45V":"285664"},{"Metabolite":"PIPECOLINIC ACID","Mouse faeces-15V":"450103","Mouse faeces-30V":"367561","Mouse faeces-45V":"377718","Mouse liver tissue-15V":"93736","Mouse liver tissue-30V":"75790","Mouse liver tissue-45V":"46138"},{"Metabolite":"N-acetyl putrescine","Mouse faeces-15V":"77161","Mouse faeces-30V":"73465","Mouse faeces-45V":"74445","Mouse liver tissue-15V":"806","Mouse liver tissue-30V":"629","Mouse liver tissue-45V":"256"},{"Metabolite":"5-HYDROXYINDOLE","Mouse faeces-15V":"2193","Mouse faeces-30V":"2140","Mouse faeces-45V":"1273","Mouse liver tissue-15V":"738","Mouse liver tissue-30V":"422","Mouse liver tissue-45V":"808"},{"Metabolite":"CREATINE","Mouse faeces-15V":"76848","Mouse faeces-30V":"92955","Mouse faeces-45V":"82267","Mouse liver tissue-15V":"614162","Mouse liver tissue-30V":"568278","Mouse liver tissue-45V":"564140"},{"Metabolite":"2-Methylindole","Mouse faeces-15V":"3032","Mouse faeces-30V":"1844","Mouse faeces-45V":"2331","Mouse liver tissue-15V":"1300","Mouse liver tissue-30V":"11403","Mouse liver tissue-45V":"7567"},{"Metabolite":"Isoleucine","Mouse faeces-15V":"9282","Mouse faeces-30V":"8569","Mouse faeces-45V":"7509","Mouse liver tissue-15V":"5121","Mouse liver tissue-30V":"75158","Mouse liver tissue-45V":"59590"},{"Metabolite":"Leucine","Mouse faeces-15V":"2401016","Mouse faeces-30V":"1909966","Mouse faeces-45V":"1945767","Mouse liver tissue-15V":"9228433","Mouse liver tissue-30V":"8729948","Mouse liver tissue-45V":"8734075"},{"Metabolite":"Aspartate","Mouse faeces-15V":"8953","Mouse faeces-30V":"7420","Mouse faeces-45V":"7386","Mouse liver tissue-15V":"30404","Mouse liver tissue-30V":"35076","Mouse liver tissue-45V":"31721"},{"Metabolite":"2-Oxindole; LC-tDDA; CE20","Mouse faeces-15V":"106395","Mouse faeces-30V":"87457","Mouse faeces-45V":"84374","Mouse liver tissue-15V":"427","Mouse liver tissue-30V":"6403","Mouse liver tissue-45V":"6672"},{"Metabolite":"2-Oxindole; LC-tDDA; CE10","Mouse faeces-15V":"1645","Mouse faeces-30V":"1570","Mouse faeces-45V":"1061","Mouse liver 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tissue-45V":"4470"},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL","Mouse faeces-15V":"31887","Mouse faeces-30V":"22099","Mouse faeces-45V":"18344","Mouse liver tissue-15V":"2257","Mouse liver tissue-30V":"2010","Mouse liver tissue-45V":"2956"},{"Metabolite":"??-Gentiobiose","Mouse faeces-15V":"23625","Mouse faeces-30V":"88112","Mouse faeces-45V":"88625","Mouse liver tissue-15V":"82210","Mouse liver tissue-30V":"67220","Mouse liver tissue-45V":"76776"},{"Metabolite":"LACTULOSE","Mouse faeces-15V":"82553","Mouse faeces-30V":"27314","Mouse faeces-45V":"83359","Mouse liver tissue-15V":"138102","Mouse liver tissue-30V":"132295","Mouse liver tissue-45V":"134984"},{"Metabolite":"Cortisone","Mouse faeces-15V":"8263","Mouse faeces-30V":"2650","Mouse faeces-45V":"3091","Mouse liver tissue-15V":"99","Mouse liver tissue-30V":"233","Mouse liver tissue-45V":"261"},{"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","Mouse faeces-15V":"5496","Mouse faeces-30V":"23329","Mouse faeces-45V":"21722","Mouse liver tissue-15V":"197","Mouse liver tissue-30V":"154","Mouse liver tissue-45V":"1311"},{"Metabolite":"2-methoxy-4-pentadecylbenzoic acid","Mouse faeces-15V":"18952","Mouse faeces-30V":"17113","Mouse faeces-45V":"15655","Mouse liver tissue-15V":"248","Mouse liver tissue-30V":"439","Mouse liver tissue-45V":"59"},{"Metabolite":"TREHALOSE","Mouse faeces-15V":"558171","Mouse faeces-30V":"583880","Mouse faeces-45V":"531474","Mouse liver tissue-15V":"1164071","Mouse liver tissue-30V":"1169367","Mouse liver tissue-45V":"1206481"},{"Metabolite":"NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid [IIN-based on: CCMSLIB00000847643]","Mouse faeces-15V":"8695","Mouse faeces-30V":"2163","Mouse faeces-45V":"3980","Mouse liver tissue-15V":"629","Mouse liver tissue-30V":"363","Mouse liver tissue-45V":"389"},{"Metabolite":"THE","Mouse faeces-15V":"2738","Mouse faeces-30V":"2846","Mouse faeces-45V":"1885","Mouse liver tissue-15V":"2","Mouse liver tissue-30V":"90","Mouse liver tissue-45V":"81"},{"Metabolite":"Dehydrocorydaline","Mouse faeces-15V":"12569","Mouse faeces-30V":"11676","Mouse faeces-45V":"10824","Mouse liver tissue-15V":"249","Mouse liver tissue-30V":"100","Mouse liver tissue-45V":"105"},{"Metabolite":"Cholesterol","Mouse faeces-15V":"451","Mouse faeces-30V":"83","Mouse faeces-45V":"718","Mouse liver tissue-15V":"358","Mouse liver tissue-30V":"199","Mouse liver tissue-45V":"1414"},{"Metabolite":"(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Mouse faeces-15V":"186157","Mouse faeces-30V":"144583","Mouse faeces-45V":"166351","Mouse liver tissue-15V":"12034","Mouse liver tissue-30V":"11755","Mouse liver tissue-45V":"11670"},{"Metabolite":"(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Mouse faeces-15V":"578603","Mouse faeces-30V":"471076","Mouse faeces-45V":"474592","Mouse liver tissue-15V":"1868","Mouse liver tissue-30V":"742","Mouse liver tissue-45V":"2744"},{"Metabolite":"Myristamidopropyl betaine","Mouse faeces-15V":"12827","Mouse faeces-30V":"9736","Mouse faeces-45V":"11096","Mouse liver tissue-15V":"14364","Mouse liver tissue-30V":"13749","Mouse liver tissue-45V":"12088"},{"Metabolite":"Trazodone","Mouse faeces-15V":"836","Mouse faeces-30V":"1933","Mouse faeces-45V":"968","Mouse liver tissue-15V":"167","Mouse liver tissue-30V":"8","Mouse liver tissue-45V":"95"},{"Metabolite":"Crystal violet","Mouse faeces-15V":"182514","Mouse faeces-30V":"145938","Mouse faeces-45V":"144039","Mouse liver tissue-15V":"460","Mouse liver tissue-30V":"256","Mouse liver tissue-45V":"464"},{"Metabolite":"Myristoyl-carnitine; LC-tDDA; CE30","Mouse faeces-15V":"118450","Mouse faeces-30V":"83836","Mouse faeces-45V":"90086","Mouse liver tissue-15V":"37349","Mouse liver tissue-30V":"33239","Mouse liver tissue-45V":"29558"},{"Metabolite":"Myristoyl-carnitine; LC-tDDA; CE20","Mouse faeces-15V":"5757","Mouse faeces-30V":"3354","Mouse faeces-45V":"2490","Mouse liver tissue-15V":"1889","Mouse liver tissue-30V":"1160","Mouse liver tissue-45V":"910"},{"Metabolite":"(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid","Mouse faeces-15V":"3503807","Mouse faeces-30V":"2774400","Mouse faeces-45V":"2970539","Mouse liver tissue-15V":"4667","Mouse liver tissue-30V":"4471","Mouse liver tissue-45V":"3660"},{"Metabolite":"(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Mouse faeces-15V":"73860","Mouse faeces-30V":"68535","Mouse faeces-45V":"112938","Mouse liver tissue-15V":"14691","Mouse liver tissue-30V":"9536","Mouse liver tissue-45V":"15368"},{"Metabolite":"hyocholic acid","Mouse faeces-15V":"9538512","Mouse faeces-30V":"9001926","Mouse faeces-45V":"8765993","Mouse liver tissue-15V":"464160","Mouse liver tissue-30V":"461108","Mouse liver tissue-45V":"445873"},{"Metabolite":"(R)-4-((3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,6,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Mouse faeces-15V":"1393672","Mouse faeces-30V":"2108441","Mouse faeces-45V":"1530460","Mouse liver tissue-15V":"617536","Mouse liver tissue-30V":"561434","Mouse liver tissue-45V":"571145"},{"Metabolite":"CHOLATE","Mouse faeces-15V":"86161","Mouse faeces-30V":"67767","Mouse faeces-45V":"70476","Mouse liver tissue-15V":"934","Mouse liver tissue-30V":"519","Mouse liver tissue-45V":"456"},{"Metabolite":"(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Mouse faeces-15V":"4361265","Mouse faeces-30V":"3609011","Mouse faeces-45V":"3763632","Mouse liver tissue-15V":"4250","Mouse liver tissue-30V":"4242","Mouse liver tissue-45V":"4011"},{"Metabolite":"Hetisine","Mouse faeces-15V":"29993","Mouse faeces-30V":"25552","Mouse faeces-45V":"22570","Mouse liver tissue-15V":"14517","Mouse liver tissue-30V":"12606","Mouse liver tissue-45V":"14455"},{"Metabolite":"Hydroxyzine","Mouse faeces-15V":"1800","Mouse faeces-30V":"4562","Mouse faeces-45V":"2771","Mouse liver tissue-15V":"196","Mouse liver tissue-30V":"229","Mouse liver tissue-45V":"0"},{"Metabolite":"3-Ketocholanic Acid","Mouse faeces-15V":"100391","Mouse faeces-30V":"84823","Mouse faeces-45V":"98788","Mouse liver tissue-15V":"12856","Mouse liver tissue-30V":"8215","Mouse liver tissue-45V":"8660"},{"Metabolite":"deoxycholic acid","Mouse faeces-15V":"846100","Mouse faeces-30V":"673119","Mouse faeces-45V":"670172","Mouse liver tissue-15V":"11114","Mouse liver tissue-30V":"10198","Mouse liver tissue-45V":"10480"},{"Metabolite":"PharmaGSID_48507","Mouse faeces-15V":"3232","Mouse faeces-30V":"5684","Mouse faeces-45V":"4740","Mouse liver tissue-15V":"2440","Mouse liver tissue-30V":"1700","Mouse liver tissue-45V":"1836"},{"Metabolite":"RIBOFLAVIN","Mouse faeces-15V":"122956","Mouse faeces-30V":"93491","Mouse faeces-45V":"102760","Mouse liver tissue-15V":"667388","Mouse liver tissue-30V":"514332","Mouse liver tissue-45V":"513169"},{"Metabolite":"NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymethyl)-14-methoxy-3,5,7-trimethyl-14-oxotetradeca-2,4-dienoic acid","Mouse faeces-15V":"1271","Mouse faeces-30V":"3545","Mouse faeces-45V":"439","Mouse liver tissue-15V":"0","Mouse liver tissue-30V":"111","Mouse liver tissue-45V":"0"},{"Metabolite":"6-beta-Hydroxycortisol","Mouse faeces-15V":"7861","Mouse faeces-30V":"5191","Mouse faeces-45V":"3408","Mouse liver tissue-15V":"268","Mouse liver tissue-30V":"357","Mouse liver tissue-45V":"36"},{"Metabolite":"MAG","Mouse faeces-15V":"47335","Mouse faeces-30V":"39338","Mouse faeces-45V":"39652","Mouse liver tissue-15V":"29030","Mouse liver tissue-30V":"19403","Mouse liver tissue-45V":"18388"},{"Metabolite":"(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide","Mouse faeces-15V":"58975","Mouse faeces-30V":"49178","Mouse faeces-45V":"49455","Mouse liver tissue-15V":"41","Mouse liver tissue-30V":"0","Mouse liver tissue-45V":"6"},{"Metabolite":"NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid [IIN-based on: CCMSLIB00000847074]","Mouse faeces-15V":"2045","Mouse faeces-30V":"830","Mouse faeces-45V":"2988","Mouse liver tissue-15V":"712","Mouse liver tissue-30V":"478","Mouse liver tissue-45V":"484"},{"Metabolite":"Isorhynchophylline","Mouse faeces-15V":"2215","Mouse faeces-30V":"2504","Mouse faeces-45V":"1369","Mouse liver tissue-15V":"1786","Mouse liver tissue-30V":"1653","Mouse liver tissue-45V":"1390"},{"Metabolite":"Cholest-4,6-Dien-3-One","Mouse faeces-15V":"3063","Mouse faeces-30V":"2786","Mouse faeces-45V":"4890","Mouse liver tissue-15V":"1639","Mouse liver tissue-30V":"1667","Mouse liver tissue-45V":"1413"},{"Metabolite":"N6-Succinyladenosine; AIF; CE30; MS2Dec","Mouse faeces-15V":"5804","Mouse faeces-30V":"2736","Mouse faeces-45V":"2964","Mouse liver tissue-15V":"658","Mouse liver tissue-30V":"768411","Mouse liver tissue-45V":"692279"},{"Metabolite":"N6-Succinyladenosine; AIF; CE0; MS2Dec","Mouse faeces-15V":"9526","Mouse faeces-30V":"5423","Mouse faeces-45V":"7698","Mouse liver tissue-15V":"769194","Mouse liver tissue-30V":"143363","Mouse liver tissue-45V":"147429"},{"Metabolite":"Quetiapine","Mouse faeces-15V":"2796","Mouse faeces-30V":"1981","Mouse faeces-45V":"3165","Mouse liver tissue-15V":"63","Mouse liver tissue-30V":"51","Mouse liver tissue-45V":"15"},{"Metabolite":"S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30","Mouse faeces-15V":"12896","Mouse faeces-30V":"9642","Mouse faeces-45V":"11349","Mouse liver tissue-15V":"171271","Mouse liver tissue-30V":"159261","Mouse liver tissue-45V":"150394"},{"Metabolite":"S-Adenosylhomocysteine (SAH)","Mouse faeces-15V":"4175","Mouse faeces-30V":"1645","Mouse faeces-45V":"2033","Mouse liver tissue-15V":"90299","Mouse liver tissue-30V":"46945","Mouse liver tissue-45V":"75233"},{"Metabolite":"Resibufogenin","Mouse faeces-15V":"70278","Mouse faeces-30V":"56574","Mouse faeces-45V":"58004","Mouse liver tissue-15V":"11","Mouse liver tissue-30V":"103","Mouse liver tissue-45V":"82"},{"Metabolite":"4-Cholesten-3-one","Mouse faeces-15V":"1238520","Mouse faeces-30V":"884091","Mouse faeces-45V":"1043584","Mouse liver tissue-15V":"4457","Mouse liver tissue-30V":"4948","Mouse liver tissue-45V":"5002"},{"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","Mouse faeces-15V":"14195","Mouse faeces-30V":"10092","Mouse faeces-45V":"11671","Mouse liver tissue-15V":"95746","Mouse liver tissue-30V":"66883","Mouse liver tissue-45V":"76980"},{"Metabolite":"Buspirone","Mouse faeces-15V":"9430","Mouse faeces-30V":"10347","Mouse faeces-45V":"6185","Mouse liver tissue-15V":"542","Mouse liver tissue-30V":"370","Mouse liver tissue-45V":"716"},{"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","Mouse faeces-15V":"2418","Mouse faeces-30V":"3662","Mouse faeces-45V":"5171","Mouse liver tissue-15V":"63033","Mouse liver tissue-30V":"52569","Mouse liver tissue-45V":"51132"},{"Metabolite":"Cetirizine","Mouse faeces-15V":"241","Mouse faeces-30V":"151","Mouse faeces-45V":"241","Mouse liver tissue-15V":"15","Mouse liver tissue-30V":"7","Mouse liver tissue-45V":"0"},{"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","Mouse faeces-15V":"217808","Mouse faeces-30V":"191712","Mouse faeces-45V":"180494","Mouse liver tissue-15V":"2781","Mouse liver tissue-30V":"2676","Mouse liver tissue-45V":"2652"},{"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","Mouse faeces-15V":"319130","Mouse faeces-30V":"252852","Mouse faeces-45V":"280885","Mouse liver tissue-15V":"2477","Mouse liver tissue-30V":"2112","Mouse liver tissue-45V":"628"},{"Metabolite":"3?-Hydroxy-12 Ketolithocholic Acid","Mouse faeces-15V":"588969","Mouse faeces-30V":"1229900","Mouse faeces-45V":"1123142","Mouse liver tissue-15V":"1674","Mouse liver tissue-30V":"1681","Mouse liver tissue-45V":"1681"},{"Metabolite":"Dioctyl Phthalate","Mouse faeces-15V":"5707","Mouse faeces-30V":"7134","Mouse faeces-45V":"6351","Mouse liver tissue-15V":"1341","Mouse liver tissue-30V":"2151","Mouse liver tissue-45V":"3079"},{"Metabolite":"3?-Hydroxy-7 Ketolithocholic Acid","Mouse faeces-15V":"3894002","Mouse faeces-30V":"3397260","Mouse faeces-45V":"3293550","Mouse liver tissue-15V":"88337","Mouse liver tissue-30V":"87069","Mouse liver tissue-45V":"74811"},{"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","Mouse faeces-15V":"2000969","Mouse faeces-30V":"1871779","Mouse faeces-45V":"1875168","Mouse liver tissue-15V":"102013","Mouse liver tissue-30V":"100000","Mouse liver tissue-45V":"96862"},{"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","Mouse faeces-15V":"1442962","Mouse faeces-30V":"1277842","Mouse faeces-45V":"1211565","Mouse liver tissue-15V":"91962","Mouse liver tissue-30V":"95331","Mouse liver tissue-45V":"92352"},{"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","Mouse faeces-15V":"56438","Mouse faeces-30V":"50149","Mouse faeces-45V":"57001","Mouse liver tissue-15V":"558","Mouse liver tissue-30V":"1861","Mouse liver tissue-45V":"1438"},{"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","Mouse faeces-15V":"5577006","Mouse faeces-30V":"5250905","Mouse faeces-45V":"5122796","Mouse liver tissue-15V":"2707962","Mouse liver tissue-30V":"2702514","Mouse liver tissue-45V":"2698779"},{"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","Mouse faeces-15V":"3924978","Mouse faeces-30V":"3475548","Mouse faeces-45V":"3547088","Mouse liver tissue-15V":"2217","Mouse liver tissue-30V":"1770","Mouse liver tissue-45V":"2132"},{"Metabolite":"Trospium","Mouse faeces-15V":"5182","Mouse faeces-30V":"1499","Mouse faeces-45V":"2014","Mouse liver tissue-15V":"15","Mouse liver tissue-30V":"21","Mouse liver tissue-45V":"48"},{"Metabolite":"dG-C8-4-CA","Mouse faeces-15V":"152","Mouse faeces-30V":"804","Mouse faeces-45V":"472","Mouse liver tissue-15V":"72143","Mouse liver tissue-30V":"57772","Mouse liver tissue-45V":"51812"},{"Metabolite":"Octaethylene glycol","Mouse faeces-15V":"23545","Mouse faeces-30V":"11023","Mouse faeces-45V":"11504","Mouse liver tissue-15V":"6385","Mouse liver tissue-30V":"7063","Mouse liver tissue-45V":"6118"},{"Metabolite":"N-Oleyl-Leucine","Mouse faeces-15V":"72550","Mouse faeces-30V":"57962","Mouse faeces-45V":"71121","Mouse liver tissue-15V":"866","Mouse liver tissue-30V":"185","Mouse liver tissue-45V":"88"},{"Metabolite":"Ethylrhoeagenine","Mouse faeces-15V":"1266","Mouse faeces-30V":"1958","Mouse faeces-45V":"1668","Mouse liver tissue-15V":"1704","Mouse liver tissue-30V":"1093","Mouse liver tissue-45V":"1140"},{"Metabolite":"S-(5'-Adenosyl)-L-methionine","Mouse faeces-15V":"3198","Mouse faeces-30V":"983","Mouse faeces-45V":"2517","Mouse liver tissue-15V":"5786","Mouse liver tissue-30V":"7785","Mouse liver tissue-45V":"6540"},{"Metabolite":"Tri(butoxyethyl) phosphate","Mouse faeces-15V":"35955","Mouse faeces-30V":"28905","Mouse faeces-45V":"23850","Mouse liver tissue-15V":"79722","Mouse liver tissue-30V":"65880","Mouse liver tissue-45V":"65861"},{"Metabolite":"Tri(butoxyethyl)phosphate","Mouse faeces-15V":"3881","Mouse faeces-30V":"1080","Mouse faeces-45V":"2693","Mouse liver tissue-15V":"1727","Mouse liver tissue-30V":"1330","Mouse liver tissue-45V":"2230"},{"Metabolite":"Palmitoyl-carnitine; LC-tDDA; CE20","Mouse faeces-15V":"5231","Mouse faeces-30V":"5743","Mouse faeces-45V":"3833","Mouse liver tissue-15V":"9143","Mouse liver tissue-30V":"13269","Mouse liver tissue-45V":"8571"},{"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]","Mouse faeces-15V":"1210","Mouse faeces-30V":"1242","Mouse faeces-45V":"57","Mouse liver tissue-15V":"0","Mouse liver tissue-30V":"875","Mouse liver tissue-45V":"0"},{"Metabolite":"7-Oxocholesterol","Mouse faeces-15V":"58505","Mouse faeces-30V":"53591","Mouse faeces-45V":"51175","Mouse liver tissue-15V":"6424","Mouse liver tissue-30V":"5240","Mouse liver tissue-45V":"4783"},{"Metabolite":"Acetyl tributyl citrate","Mouse faeces-15V":"198953","Mouse faeces-30V":"196171","Mouse faeces-45V":"192936","Mouse liver tissue-15V":"158338","Mouse liver tissue-30V":"133490","Mouse liver tissue-45V":"139449"},{"Metabolite":"5-Cholesten-3-beta-7-alpha-diol","Mouse faeces-15V":"105758","Mouse faeces-30V":"56222","Mouse faeces-45V":"59525","Mouse liver tissue-15V":"98787","Mouse liver tissue-30V":"135498","Mouse liver tissue-45V":"189061"},{"Metabolite":"NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based: Match]","Mouse faeces-15V":"50379","Mouse faeces-30V":"38228","Mouse faeces-45V":"40235","Mouse liver tissue-15V":"212829","Mouse liver tissue-30V":"184552","Mouse liver tissue-45V":"169606"},{"Metabolite":"5?-CHOLANIC ACID-3?-OL-6_7-DIONE","Mouse faeces-15V":"96391","Mouse faeces-30V":"86730","Mouse faeces-45V":"77126","Mouse liver tissue-15V":"233","Mouse liver tissue-30V":"159","Mouse liver tissue-45V":"800"},{"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","Mouse faeces-15V":"11266","Mouse faeces-30V":"6826","Mouse faeces-45V":"8481","Mouse liver tissue-15V":"354107","Mouse liver tissue-30V":"290706","Mouse liver tissue-45V":"319833"},{"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","Mouse faeces-15V":"1443695","Mouse faeces-30V":"1168711","Mouse faeces-45V":"1187850","Mouse liver tissue-15V":"414737","Mouse liver tissue-30V":"382085","Mouse liver tissue-45V":"381874"},{"Metabolite":"MMV688990","Mouse faeces-15V":"4664","Mouse faeces-30V":"2017","Mouse faeces-45V":"2760","Mouse liver tissue-15V":"7836","Mouse liver tissue-30V":"6619","Mouse liver tissue-45V":"6704"},{"Metabolite":"NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-","Mouse faeces-15V":"10316","Mouse faeces-30V":"15871","Mouse faeces-45V":"14943","Mouse liver tissue-15V":"11839","Mouse liver tissue-30V":"10050","Mouse liver tissue-45V":"8645"},{"Metabolite":"5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL","Mouse faeces-15V":"249247","Mouse faeces-30V":"209018","Mouse faeces-45V":"229297","Mouse liver tissue-15V":"13271","Mouse liver tissue-30V":"13603","Mouse liver tissue-45V":"15185"},{"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","Mouse faeces-15V":"147908","Mouse faeces-30V":"157848","Mouse faeces-45V":"183262","Mouse liver tissue-15V":"12506","Mouse liver tissue-30V":"7158","Mouse liver tissue-45V":"11686"},{"Metabolite":"STIGMASTA-4,22-DIEN-3-ONE","Mouse faeces-15V":"602701","Mouse faeces-30V":"494344","Mouse faeces-45V":"443999","Mouse liver tissue-15V":"348","Mouse liver tissue-30V":"0","Mouse liver tissue-45V":"564"},{"Metabolite":"N6-Threonylcarbamoyladenosine","Mouse faeces-15V":"16288","Mouse faeces-30V":"14549","Mouse faeces-45V":"15495","Mouse liver tissue-15V":"4678","Mouse liver tissue-30V":"51701","Mouse liver tissue-45V":"49988"},{"Metabolite":"2-acetoxy-4-pentadecylbenzoic acid","Mouse faeces-15V":"932","Mouse faeces-30V":"2161","Mouse faeces-45V":"304","Mouse liver tissue-15V":"294","Mouse liver tissue-30V":"58","Mouse liver tissue-45V":"100"},{"Metabolite":"delta4-Dafachronic acid","Mouse faeces-15V":"71420","Mouse faeces-30V":"60803","Mouse faeces-45V":"69543","Mouse liver tissue-15V":"1592","Mouse liver tissue-30V":"555","Mouse liver tissue-45V":"348"},{"Metabolite":"GLYCOCHENODEOXYCHOLATE","Mouse faeces-15V":"30292","Mouse faeces-30V":"12814","Mouse faeces-45V":"27197","Mouse liver tissue-15V":"377","Mouse liver tissue-30V":"298","Mouse liver tissue-45V":"1653"},{"Metabolite":"glycoursodeoxycholic acid","Mouse faeces-15V":"12873","Mouse faeces-30V":"16682","Mouse faeces-45V":"16069","Mouse liver tissue-15V":"233","Mouse liver tissue-30V":"287","Mouse liver tissue-45V":"829"},{"Metabolite":"Solasodin","Mouse faeces-15V":"5079","Mouse faeces-30V":"1251","Mouse faeces-45V":"1415","Mouse liver tissue-15V":"503","Mouse liver tissue-30V":"536","Mouse liver tissue-45V":"520"},{"Metabolite":"7-Hydroxymitragynine","Mouse faeces-15V":"591398","Mouse faeces-30V":"503160","Mouse faeces-45V":"519560","Mouse liver tissue-15V":"67","Mouse liver tissue-30V":"11","Mouse liver tissue-45V":"39"},{"Metabolite":"Tentoxin","Mouse faeces-15V":"217","Mouse faeces-30V":"328","Mouse faeces-45V":"166","Mouse liver tissue-15V":"50","Mouse liver tissue-30V":"77","Mouse liver tissue-45V":"155"},{"Metabolite":"Diosgenin","Mouse faeces-15V":"75612","Mouse faeces-30V":"34559","Mouse faeces-45V":"53313","Mouse liver tissue-15V":"1696","Mouse liver tissue-30V":"1143","Mouse liver tissue-45V":"1622"},{"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","Mouse faeces-15V":"151087","Mouse faeces-30V":"118938","Mouse faeces-45V":"122389","Mouse liver tissue-15V":"322887","Mouse liver tissue-30V":"263618","Mouse liver tissue-45V":"285127"},{"Metabolite":"Linoleyl-carnitine; LC-tDDA; CE20","Mouse faeces-15V":"3473","Mouse faeces-30V":"4240","Mouse faeces-45V":"4074","Mouse liver tissue-15V":"8621","Mouse liver tissue-30V":"10660","Mouse liver tissue-45V":"6967"},{"Metabolite":"Linoleyl-carnitine; AIF; CE30; CorrDec","Mouse faeces-15V":"11880","Mouse faeces-30V":"9269","Mouse faeces-45V":"11298","Mouse liver tissue-15V":"1638","Mouse liver tissue-30V":"809","Mouse liver tissue-45V":"1532"},{"Metabolite":"NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-phenylpropanoic acid [IIN-based on: CCMSLIB00000845077]","Mouse faeces-15V":"9421","Mouse faeces-30V":"8947","Mouse faeces-45V":"10770","Mouse liver tissue-15V":"13186","Mouse liver tissue-30V":"9960","Mouse liver tissue-45V":"8362"},{"Metabolite":"URSOCHOLIC ACID","Mouse faeces-15V":"37214","Mouse faeces-30V":"32881","Mouse faeces-45V":"30382","Mouse liver tissue-15V":"2598","Mouse liver tissue-30V":"2672","Mouse liver tissue-45V":"1906"},{"Metabolite":"Oleoyl-carnitine; LC-tDDA; CE20","Mouse faeces-15V":"5832","Mouse faeces-30V":"6887","Mouse faeces-45V":"6262","Mouse liver tissue-15V":"2396","Mouse liver tissue-30V":"1928","Mouse liver tissue-45V":"940"},{"Metabolite":"Adenosine_Diphosphate","Mouse faeces-15V":"521","Mouse faeces-30V":"702","Mouse faeces-45V":"225","Mouse liver tissue-15V":"1395","Mouse liver tissue-30V":"4448","Mouse liver tissue-45V":"1979"},{"Metabolite":"Stearoyl-carnitine; LC-tDDA; CE20","Mouse faeces-15V":"337446","Mouse faeces-30V":"267075","Mouse faeces-45V":"252530","Mouse liver tissue-15V":"114756","Mouse liver tissue-30V":"115018","Mouse liver tissue-45V":"104287"},{"Metabolite":"N-Oleoyl-Phenylalanine","Mouse faeces-15V":"122497","Mouse faeces-30V":"87374","Mouse faeces-45V":"98122","Mouse liver tissue-15V":"101782","Mouse liver tissue-30V":"86386","Mouse liver tissue-45V":"85047"},{"Metabolite":"(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid","Mouse faeces-15V":"1174","Mouse faeces-30V":"2","Mouse faeces-45V":"71","Mouse liver tissue-15V":"58","Mouse liver tissue-30V":"10","Mouse liver tissue-45V":"86"},{"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","Mouse faeces-15V":"90","Mouse faeces-30V":"1665","Mouse faeces-45V":"1629","Mouse liver tissue-15V":"15","Mouse liver tissue-30V":"1212","Mouse liver tissue-45V":"3234"},{"Metabolite":"Bufalin","Mouse faeces-15V":"5877","Mouse faeces-30V":"3678","Mouse faeces-45V":"5016","Mouse liver tissue-15V":"2382","Mouse liver tissue-30V":"679","Mouse liver tissue-45V":"1466"},{"Metabolite":"isochromophilone VI","Mouse faeces-15V":"574","Mouse faeces-30V":"473","Mouse faeces-45V":"2405","Mouse liver tissue-15V":"18987","Mouse liver tissue-30V":"1277","Mouse liver tissue-45V":"1784"},{"Metabolite":"Glycolithocholic acid","Mouse faeces-15V":"733","Mouse faeces-30V":"1034","Mouse faeces-45V":"1435","Mouse liver tissue-15V":"391","Mouse liver tissue-30V":"179","Mouse liver tissue-45V":"348"},{"Metabolite":"Bis[2-(2-butoxyethoxy)ethyl] hexandioate","Mouse faeces-15V":"2480","Mouse faeces-30V":"743","Mouse faeces-45V":"770","Mouse liver tissue-15V":"0","Mouse liver tissue-30V":"0","Mouse liver tissue-45V":"10"},{"Metabolite":"Nonaethylene glycol","Mouse faeces-15V":"19432","Mouse faeces-30V":"5975","Mouse faeces-45V":"7340","Mouse liver tissue-15V":"4742","Mouse liver tissue-30V":"4697","Mouse liver tissue-45V":"4352"},{"Metabolite":"4-OHE2-1-N7Gua","Mouse faeces-15V":"48320","Mouse faeces-30V":"46552","Mouse faeces-45V":"48470","Mouse liver tissue-15V":"1212","Mouse liver tissue-30V":"531","Mouse liver tissue-45V":"524"},{"Metabolite":"Daidzin","Mouse faeces-15V":"178","Mouse faeces-30V":"105","Mouse faeces-45V":"208","Mouse liver 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faeces-30V":"40","Mouse faeces-45V":"3","Mouse liver tissue-15V":"0","Mouse liver tissue-30V":"55","Mouse liver tissue-45V":"50"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID","Mouse faeces-15V":"4046","Mouse faeces-30V":"5699","Mouse faeces-45V":"3190","Mouse liver tissue-15V":"352","Mouse liver tissue-30V":"321","Mouse liver tissue-45V":"616"},{"Metabolite":"Arachidonoyl-carnitine; LC-tDDA; CE30","Mouse faeces-15V":"53754","Mouse faeces-30V":"40737","Mouse faeces-45V":"41186","Mouse liver tissue-15V":"385890","Mouse liver tissue-30V":"258135","Mouse liver tissue-45V":"303422"},{"Metabolite":"Glycodeoxycholic acid","Mouse faeces-15V":"30473","Mouse faeces-30V":"26427","Mouse faeces-45V":"28239","Mouse liver tissue-15V":"1785","Mouse liver tissue-30V":"1415","Mouse liver tissue-45V":"996"},{"Metabolite":"Glycochenodeoxycholic acid; LC-tDDA; CE40","Mouse faeces-15V":"17173","Mouse faeces-30V":"15544","Mouse faeces-45V":"18726","Mouse liver tissue-15V":"763","Mouse liver 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faeces-15V":"13868","Mouse faeces-30V":"11311","Mouse faeces-45V":"10552","Mouse liver tissue-15V":"2","Mouse liver tissue-30V":"3","Mouse liver tissue-45V":"10"},{"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","Mouse faeces-15V":"588446","Mouse faeces-30V":"459282","Mouse faeces-45V":"466691","Mouse liver tissue-15V":"5713","Mouse liver tissue-30V":"3838","Mouse liver tissue-45V":"5225"},{"Metabolite":"alpha-TOCHOPHERYL ACETATE","Mouse faeces-15V":"1461446","Mouse faeces-30V":"1565132","Mouse faeces-45V":"1631636","Mouse liver tissue-15V":"644","Mouse liver tissue-30V":"1210","Mouse liver tissue-45V":"3874"},{"Metabolite":"Raloxifene","Mouse faeces-15V":"2315","Mouse faeces-30V":"2297","Mouse faeces-45V":"873","Mouse liver tissue-15V":"32508","Mouse liver tissue-30V":"28936","Mouse liver tissue-45V":"24170"},{"Metabolite":"LPE 18:3","Mouse faeces-15V":"3145","Mouse faeces-30V":"3025","Mouse faeces-45V":"2016","Mouse liver tissue-15V":"5584","Mouse liver tissue-30V":"3404","Mouse liver tissue-45V":"5055"},{"Metabolite":"LPE 18:2","Mouse faeces-15V":"1791345","Mouse faeces-30V":"1503997","Mouse faeces-45V":"1514710","Mouse liver tissue-15V":"5856273","Mouse liver tissue-30V":"5230223","Mouse liver tissue-45V":"4817736"},{"Metabolite":"NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","Mouse faeces-15V":"2486986","Mouse faeces-30V":"2010850","Mouse faeces-45V":"2171102","Mouse liver tissue-15V":"1493792","Mouse liver tissue-30V":"1256927","Mouse liver tissue-45V":"1218458"},{"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","Mouse faeces-15V":"365071","Mouse faeces-30V":"278553","Mouse faeces-45V":"293247","Mouse liver tissue-15V":"1287405","Mouse liver tissue-30V":"1113156","Mouse liver tissue-45V":"1130837"},{"Metabolite":"LPE 18:1","Mouse faeces-15V":"676259","Mouse faeces-30V":"521290","Mouse faeces-45V":"557709","Mouse liver tissue-15V":"770236","Mouse liver tissue-30V":"686774","Mouse liver tissue-45V":"685350"},{"Metabolite":"Decaethylene glycol","Mouse faeces-15V":"14546","Mouse faeces-30V":"10456","Mouse faeces-45V":"12057","Mouse liver tissue-15V":"4592","Mouse liver tissue-30V":"3495","Mouse liver tissue-45V":"3517"},{"Metabolite":"tauroursodeoxycholic acid","Mouse faeces-15V":"30443","Mouse faeces-30V":"33641","Mouse faeces-45V":"32722","Mouse liver tissue-15V":"179644","Mouse liver tissue-30V":"141423","Mouse liver tissue-45V":"158231"},{"Metabolite":"1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","Mouse faeces-15V":"136400","Mouse faeces-30V":"37532","Mouse faeces-45V":"45605","Mouse liver tissue-15V":"1365","Mouse liver tissue-30V":"678","Mouse liver tissue-45V":"1338"},{"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]","Mouse faeces-15V":"106818","Mouse faeces-30V":"84958","Mouse faeces-45V":"74489","Mouse liver tissue-15V":"2625","Mouse liver tissue-30V":"2644","Mouse liver tissue-45V":"2794"},{"Metabolite":"PC(16:0/0:0)","Mouse faeces-15V":"3267","Mouse faeces-30V":"2491","Mouse faeces-45V":"531","Mouse liver tissue-15V":"16436","Mouse liver tissue-30V":"2849","Mouse liver tissue-45V":"3716"},{"Metabolite":"LPC 16:0","Mouse faeces-15V":"1284142","Mouse faeces-30V":"941210","Mouse faeces-45V":"927596","Mouse liver tissue-15V":"6481412","Mouse liver tissue-30V":"6568496","Mouse liver tissue-45V":"6246016"},{"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","Mouse faeces-15V":"176487","Mouse faeces-30V":"161091","Mouse faeces-45V":"163116","Mouse liver tissue-15V":"405325","Mouse liver tissue-30V":"342916","Mouse liver tissue-45V":"364543"},{"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","Mouse faeces-15V":"198051","Mouse faeces-30V":"159733","Mouse faeces-45V":"168765","Mouse liver tissue-15V":"702992","Mouse liver tissue-30V":"600577","Mouse liver tissue-45V":"605754"},{"Metabolite":"taurodeoxycholic acid","Mouse faeces-15V":"72450","Mouse faeces-30V":"72067","Mouse faeces-45V":"59308","Mouse liver tissue-15V":"776606","Mouse liver tissue-30V":"719925","Mouse liver tissue-45V":"734337"},{"Metabolite":"Taurodeoxycholate","Mouse faeces-15V":"66029","Mouse faeces-30V":"50855","Mouse faeces-45V":"56969","Mouse liver tissue-15V":"164813","Mouse liver tissue-30V":"134393","Mouse liver tissue-45V":"149172"},{"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","Mouse faeces-15V":"33645","Mouse faeces-30V":"24876","Mouse faeces-45V":"26417","Mouse liver tissue-15V":"82036","Mouse liver tissue-30V":"64212","Mouse liver tissue-45V":"68564"},{"Metabolite":"hypericin","Mouse faeces-15V":"6537","Mouse faeces-30V":"7271","Mouse faeces-45V":"5506","Mouse liver tissue-15V":"8538","Mouse liver tissue-30V":"7154","Mouse liver tissue-45V":"4214"},{"Metabolite":"MALTOTRIOSE","Mouse faeces-15V":"9230","Mouse faeces-30V":"5621","Mouse faeces-45V":"5909","Mouse liver tissue-15V":"132289","Mouse liver tissue-30V":"134612","Mouse liver tissue-45V":"165712"},{"Metabolite":"1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","Mouse faeces-15V":"68416","Mouse faeces-30V":"86823","Mouse faeces-45V":"108933","Mouse liver tissue-15V":"812264","Mouse liver tissue-30V":"605832","Mouse liver tissue-45V":"659212"},{"Metabolite":"Cucurbitacin I","Mouse faeces-15V":"56001","Mouse faeces-30V":"49793","Mouse faeces-45V":"50766","Mouse liver tissue-15V":"0","Mouse liver tissue-30V":"312","Mouse liver tissue-45V":"111"},{"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","Mouse faeces-15V":"108660","Mouse faeces-30V":"78615","Mouse faeces-45V":"92172","Mouse liver tissue-15V":"955841","Mouse liver tissue-30V":"838922","Mouse liver tissue-45V":"867314"},{"Metabolite":"Taurocholate","Mouse faeces-15V":"839","Mouse faeces-30V":"2062","Mouse faeces-45V":"1712","Mouse liver tissue-15V":"7613","Mouse liver 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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"}]
}

}