{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000577","ANALYSIS_ID":"AN000887","VERSION":"1","CREATED_ON":"April 3, 2017, 10:25 am"},

"PROJECT":{"PROJECT_TITLE":"Effects of the Kinase Inhibitor Sorafenib on Heart, Muscle, Liver, and Serum Metabolism In Vivo using Non-targeted Metabolomics Analysis Mice","PROJECT_TYPE":"GC-MS non targeted analysis","PROJECT_SUMMARY":"Non targeted metabolomic analysis on samples from rats expressing human amylin.","INSTITUTE":"University of North Carolina","DEPARTMENT":"McAllister heart Institute, Department of Internal medicine","LABORATORY":"Multiple Centers","LAST_NAME":"Willis","FIRST_NAME":"Monte","ADDRESS":"111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA","EMAIL":"monte_willis@med.unc.edu","PHONE":"919-360-7599","FUNDING_SOURCE":"NIH, Fondation Leducq"},

"STUDY":{"STUDY_TITLE":"Effects of the Kinase Inhibitor Sorafenib on Liver Metabolism In Vivo using Non-targeted Metabolomics Analysis tissue).","STUDY_SUMMARY":"The human kinome consists of ~500 kinases, including 150 proposed as therapeutic targets. progression, cell death, differentiation, and survival. It is not surprising, then, that new tyrosine kinase inhibitors (TKIs) developed to treat cancer also exhibit cardiotoxicity, including sorafenib. We hypothesized that sorafenib cardiotoxicity is related to its deleterious effects on specific cardiac metabolic pathways given the critical role of TKs in cardiac metabolism. FVB/N mice (10/group) were challenged with sorafenib or vehicle control daily for two weeks. Echocardiographic assessment of the heart identified systolic dysfunction consistent with cardiotoxicity compared to vehicle treated controls. Cardiac, skeletal muscle, liver, and serum were flash frozen and prepped for non-targeted GC-MS metabolomics analysis. Compared to vehicle treated controls, sorafenib-treated hearts exhibited significant alterations in 11 metabolites, including markedly altered taurine/hypotaurine metabolism by pathway enrichment analysis (25-fold enrichment). These studies identify sorafenib-induced alterations in cardiac alanine and taurine/hypotaurine metabolic. Interventions to rescue or prevent sorafenib-related cardiotoxicity warrant consideration of therapies targeting the taurine/hypotaurine deficiency identified in the current study.","INSTITUTE":"University of North Carolina","DEPARTMENT":"McAllister heart Institute, Department of Internal medicine","LABORATORY":"Multiple Centers","LAST_NAME":"Willis","FIRST_NAME":"Monte","ADDRESS":"111 Mason Farm road, Chapel Hill, North Carolina, 27599-7126, USA","EMAIL":"monte_willis@med.unc.edu","PHONE":"919-360-7599","STUDY_COMMENTS":"Heart, Liver, Skeletal Muscle (Gastrocnemius), Serum"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 1",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 2",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 3",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 4",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 5",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 6",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 7",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 8",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 9",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"PBS Ctl 10",
"Factors":{"Vehicle (PBS) Control Treatment":"Vehicle (PBS) Control Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 1",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 2",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 3",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 4",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 5",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 6",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 7",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 8",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 9",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
},
{
"Subject ID":"-",
"Sample ID":"30mg/kg Sor 10",
"Factors":{"Vehicle (PBS) Control Treatment":"30 mg/kg Sorafenib Treatment"},
"Additional sample data":{"FVB Strain Mus musculus":"FVB Strain Mus musculus"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Liver was harvested and flash frozen in a liquid nitrogen cooled biopress"},

"TREATMENT":{"TREATMENT_SUMMARY":"None"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The samples were crash deprotonized by methanol precipitation and spiked with D27-deuterated myristic acid (D27-C14:0) as an internal standard for retention-time locking and dried. The trimethylsilyl-D27-C14:0 standard retention time (RT) was set at 16.727 min. Reactive carbonyls were stabilized at 50C with methoxyamine hydrochloride in dry pyridine. Metabolites were made volatile with TMS groups using N-methyl-N-(trimethylsilyl) trifluoroacetamide or MSTFA with catalytic trimethylchlorosilane at 50C."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"GC/MS methods follow previous studies using a 6890 N GC connected to a 5975 Inert single quadrupole MS (Agilent Technologies, Santa Clara, CA) (Bonikos et al. 1975; Fiehn 2008; Kind et al. 2009). The two wall-coated, open-tubular GC columns connected in series are both from J&W/Agilent (part 122äóñ5512), DB5-MS, 15 meters in length, 0.25 mm in diameter, with an 0.25-l m luminal film. Positive ions generated with conventional electron-ionization at 70 eV are scanned broadly from 600 to 50 m/z in the detector throughout the 45 min cycle time.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"Agilent DB5-MS (15m × 0.25mm, 0.25um)"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 5975","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"Peak values (Log transformed)",

"Data":[{"Metabolite":"2-Aminoadipic acid","PBS Ctl 1":"17.68","PBS Ctl 2":"16.2","PBS Ctl 3":"15.59","PBS Ctl 4":"16.03","PBS Ctl 5":"16.89","PBS Ctl 6":"16.18","PBS Ctl 7":"15.13","PBS Ctl 8":"14.58","PBS Ctl 9":"16.7","PBS Ctl 10":"15.78","30mg/kg Sor 1":"16.22","30mg/kg Sor 2":"","30mg/kg Sor 3":"17.05","30mg/kg Sor 4":"16.74","30mg/kg Sor 5":"17.28","30mg/kg Sor 6":"16.94","30mg/kg Sor 7":"","30mg/kg Sor 8":"","30mg/kg Sor 9":"17.36","30mg/kg Sor 10":"16.36"},{"Metabolite":"2-Hydroxypyridine","PBS Ctl 1":"18.88","PBS Ctl 2":"18.8","PBS Ctl 3":"19.57","PBS Ctl 4":"18.76","PBS Ctl 5":"19.31","PBS Ctl 6":"18.61","PBS Ctl 7":"19.19","PBS Ctl 8":"19.1","PBS Ctl 9":"19.41","PBS Ctl 10":"19.37","30mg/kg Sor 1":"18.89","30mg/kg Sor 2":"19.33","30mg/kg Sor 3":"19.12","30mg/kg Sor 4":"19.34","30mg/kg Sor 5":"18.86","30mg/kg Sor 6":"18.92","30mg/kg Sor 7":"19.68","30mg/kg Sor 8":"18.85","30mg/kg Sor 9":"19.19","30mg/kg Sor 10":"19.29"},{"Metabolite":"3-Phosphoglyceric acid","PBS Ctl 1":"22.96","PBS Ctl 2":"22.68","PBS Ctl 3":"22.52","PBS Ctl 4":"22.62","PBS Ctl 5":"22.83","PBS Ctl 6":"22.38","PBS Ctl 7":"22.42","PBS Ctl 8":"22.34","PBS Ctl 9":"22.5","PBS Ctl 10":"22.68","30mg/kg Sor 1":"22.73","30mg/kg Sor 2":"23.14","30mg/kg Sor 3":"22.57","30mg/kg Sor 4":"22.99","30mg/kg Sor 5":"23.02","30mg/kg Sor 6":"22.78","30mg/kg Sor 7":"22.52","30mg/kg Sor 8":"22.47","30mg/kg Sor 9":"22.69","30mg/kg Sor 10":"22.61"},{"Metabolite":"Acetoacetate/2-Aminoisobutanoic acid","PBS Ctl 1":"21.61","PBS Ctl 2":"21.37","PBS Ctl 3":"21.4","PBS Ctl 4":"21.77","PBS Ctl 5":"21.74","PBS Ctl 6":"21.34","PBS Ctl 7":"20.64","PBS Ctl 8":"21.4","PBS Ctl 9":"21.31","PBS Ctl 10":"21.06","30mg/kg Sor 1":"20.82","30mg/kg Sor 2":"20.47","30mg/kg Sor 3":"20.18","30mg/kg Sor 4":"21.14","30mg/kg Sor 5":"21.29","30mg/kg Sor 6":"21.11","30mg/kg Sor 7":"20.79","30mg/kg Sor 8":"20.86","30mg/kg Sor 9":"21.61","30mg/kg Sor 10":"20.85"},{"Metabolite":"Adenosine/Inosine","PBS Ctl 1":"25.53","PBS Ctl 2":"25.09","PBS Ctl 3":"24.7","PBS Ctl 4":"25.06","PBS Ctl 5":"24.95","PBS Ctl 6":"24.93","PBS Ctl 7":"25.07","PBS Ctl 8":"24.6","PBS Ctl 9":"24.77","PBS Ctl 10":"24.88","30mg/kg Sor 1":"24.39","30mg/kg Sor 2":"24.56","30mg/kg Sor 3":"24.62","30mg/kg Sor 4":"24.65","30mg/kg Sor 5":"25.02","30mg/kg Sor 6":"24.43","30mg/kg Sor 7":"24.52","30mg/kg Sor 8":"25.19","30mg/kg Sor 9":"24.65","30mg/kg Sor 10":"24.31"},{"Metabolite":"Aldopentoses","PBS Ctl 1":"22.86","PBS Ctl 2":"22.47","PBS Ctl 3":"23.04","PBS Ctl 4":"21.99","PBS Ctl 5":"22.25","PBS Ctl 6":"21.78","PBS Ctl 7":"23.35","PBS Ctl 8":"22.93","PBS Ctl 9":"22.51","PBS Ctl 10":"22.95","30mg/kg Sor 1":"23.22","30mg/kg Sor 2":"24.15","30mg/kg Sor 3":"22.07","30mg/kg Sor 4":"22.37","30mg/kg Sor 5":"22.21","30mg/kg Sor 6":"22.27","30mg/kg Sor 7":"22.91","30mg/kg Sor 8":"23.09","30mg/kg Sor 9":"22.53","30mg/kg Sor 10":"22.35"},{"Metabolite":"alpha Ketoglutaric acid","PBS Ctl 1":"21.48","PBS Ctl 2":"20.63","PBS Ctl 3":"21.39","PBS Ctl 4":"20.86","PBS Ctl 5":"20.97","PBS Ctl 6":"20.6","PBS Ctl 7":"21.69","PBS Ctl 8":"20.69","PBS Ctl 9":"20.75","PBS Ctl 10":"21.15","30mg/kg Sor 1":"21.21","30mg/kg Sor 2":"21.82","30mg/kg Sor 3":"20.7","30mg/kg Sor 4":"21.18","30mg/kg Sor 5":"20.74","30mg/kg Sor 6":"21.3","30mg/kg Sor 7":"21.37","30mg/kg Sor 8":"21.77","30mg/kg Sor 9":"21.03","30mg/kg Sor 10":"21.51"},{"Metabolite":"alpha-Monopalmitin","PBS Ctl 1":"19.57","PBS Ctl 2":"16.52","PBS Ctl 3":"17.68","PBS Ctl 4":"19.48","PBS Ctl 5":"18.64","PBS Ctl 6":"20.37","PBS Ctl 7":"19.5","PBS Ctl 8":"20","PBS Ctl 9":"19.38","PBS Ctl 10":"19.3","30mg/kg Sor 1":"21.28","30mg/kg Sor 2":"17.29","30mg/kg Sor 3":"18.15","30mg/kg Sor 4":"17.87","30mg/kg Sor 5":"18.02","30mg/kg Sor 6":"18.96","30mg/kg Sor 7":"18.87","30mg/kg Sor 8":"19.62","30mg/kg Sor 9":"19.48","30mg/kg Sor 10":"19"},{"Metabolite":"alpha-Monostearin","PBS Ctl 1":"20.05","PBS Ctl 2":"19.02","PBS Ctl 3":"19.32","PBS Ctl 4":"19.33","PBS Ctl 5":"19.71","PBS Ctl 6":"20.09","PBS Ctl 7":"20.03","PBS Ctl 8":"19.09","PBS Ctl 9":"18.53","PBS Ctl 10":"19.18","30mg/kg Sor 1":"17.65","30mg/kg Sor 2":"18.13","30mg/kg Sor 3":"16.66","30mg/kg Sor 4":"18.96","30mg/kg Sor 5":"18.7","30mg/kg Sor 6":"18.48","30mg/kg Sor 7":"19.53","30mg/kg Sor 8":"20.23","30mg/kg Sor 9":"18.99","30mg/kg Sor 10":"17.39"},{"Metabolite":"alpha-Tocopherol","PBS Ctl 1":"18.93","PBS Ctl 2":"18.81","PBS Ctl 3":"18.74","PBS Ctl 4":"18.17","PBS Ctl 5":"18.76","PBS Ctl 6":"17.75","PBS Ctl 7":"18.23","PBS Ctl 8":"18.01","PBS Ctl 9":"18.29","PBS Ctl 10":"18.43","30mg/kg Sor 1":"17.78","30mg/kg Sor 2":"18.63","30mg/kg Sor 3":"18.11","30mg/kg Sor 4":"18.05","30mg/kg Sor 5":"17.91","30mg/kg Sor 6":"18.09","30mg/kg Sor 7":"18.29","30mg/kg Sor 8":"18.47","30mg/kg Sor 9":"18.42","30mg/kg Sor 10":"17.63"},{"Metabolite":"Aminomalonic acid","PBS Ctl 1":"18.39","PBS Ctl 2":"18.83","PBS Ctl 3":"19.69","PBS Ctl 4":"18.12","PBS Ctl 5":"18.53","PBS Ctl 6":"17.17","PBS Ctl 7":"17.35","PBS Ctl 8":"18.28","PBS Ctl 9":"18.44","PBS Ctl 10":"18.3","30mg/kg Sor 1":"17.99","30mg/kg Sor 2":"17.95","30mg/kg Sor 3":"16.59","30mg/kg Sor 4":"17.4","30mg/kg Sor 5":"17.14","30mg/kg Sor 6":"17.92","30mg/kg Sor 7":"17.41","30mg/kg Sor 8":"16.7","30mg/kg Sor 9":"16.38","30mg/kg Sor 10":""},{"Metabolite":"Arachidic acid/ 1-Heneicosanol","PBS Ctl 1":"16.42","PBS Ctl 2":"","PBS Ctl 3":"16.97","PBS Ctl 4":"13.81","PBS Ctl 5":"","PBS Ctl 6":"16.72","PBS Ctl 7":"15.7","PBS Ctl 8":"16.23","PBS Ctl 9":"16.52","PBS Ctl 10":"16.04","30mg/kg Sor 1":"","30mg/kg Sor 2":"","30mg/kg Sor 3":"","30mg/kg Sor 4":"16.29","30mg/kg Sor 5":"16.84","30mg/kg Sor 6":"17.39","30mg/kg Sor 7":"16.01","30mg/kg Sor 8":"16.56","30mg/kg Sor 9":"14.49","30mg/kg Sor 10":"16.47"},{"Metabolite":"Arachidonic acid (also Eicosapentaenoic acid)","PBS Ctl 1":"23.69","PBS Ctl 2":"24.01","PBS Ctl 3":"24.39","PBS Ctl 4":"23.36","PBS Ctl 5":"23.62","PBS Ctl 6":"23.21","PBS Ctl 7":"23.54","PBS Ctl 8":"23.26","PBS Ctl 9":"23.75","PBS Ctl 10":"23.99","30mg/kg Sor 1":"22.08","30mg/kg Sor 2":"24.69","30mg/kg Sor 3":"24.45","30mg/kg Sor 4":"23.43","30mg/kg Sor 5":"23.51","30mg/kg Sor 6":"23.48","30mg/kg Sor 7":"23.77","30mg/kg Sor 8":"23.72","30mg/kg Sor 9":"23.3","30mg/kg Sor 10":"23.81"},{"Metabolite":"Ascorbic acid/Isoascorbic acid","PBS Ctl 1":"23.39","PBS Ctl 2":"23.18","PBS Ctl 3":"23.79","PBS Ctl 4":"22.82","PBS Ctl 5":"23.53","PBS Ctl 6":"22.76","PBS Ctl 7":"23.14","PBS Ctl 8":"23.08","PBS Ctl 9":"23.25","PBS Ctl 10":"23.79","30mg/kg Sor 1":"22.5","30mg/kg Sor 2":"23.66","30mg/kg Sor 3":"23.13","30mg/kg Sor 4":"23.32","30mg/kg Sor 5":"22.89","30mg/kg Sor 6":"23.28","30mg/kg Sor 7":"23.3","30mg/kg Sor 8":"23.15","30mg/kg Sor 9":"23.03","30mg/kg Sor 10":"23.33"},{"Metabolite":"Asparagine","PBS Ctl 1":"18.29","PBS Ctl 2":"22.37","PBS Ctl 3":"22.75","PBS Ctl 4":"19.99","PBS Ctl 5":"19.38","PBS Ctl 6":"17.72","PBS Ctl 7":"19.17","PBS Ctl 8":"20.26","PBS Ctl 9":"22.8","PBS Ctl 10":"22.46","30mg/kg Sor 1":"","30mg/kg Sor 2":"20.01","30mg/kg Sor 3":"19.49","30mg/kg Sor 4":"17.83","30mg/kg Sor 5":"17.75","30mg/kg Sor 6":"16.23","30mg/kg Sor 7":"17.47","30mg/kg Sor 8":"19.2","30mg/kg Sor 9":"19.15","30mg/kg Sor 10":"20.11"},{"Metabolite":"Aspartic acid","PBS Ctl 1":"22.69","PBS Ctl 2":"22.5","PBS Ctl 3":"21.99","PBS Ctl 4":"22.39","PBS Ctl 5":"21.99","PBS Ctl 6":"22.11","PBS Ctl 7":"23.35","PBS Ctl 8":"22.88","PBS Ctl 9":"22.86","PBS Ctl 10":"22.73","30mg/kg Sor 1":"22.86","30mg/kg Sor 2":"22.82","30mg/kg Sor 3":"22.2","30mg/kg Sor 4":"22.02","30mg/kg Sor 5":"22.35","30mg/kg Sor 6":"22.26","30mg/kg Sor 7":"22.14","30mg/kg Sor 8":"23.02","30mg/kg Sor 9":"22.57","30mg/kg Sor 10":"22.87"},{"Metabolite":"Benzoic acid","PBS Ctl 1":"14.78","PBS Ctl 2":"15.4","PBS Ctl 3":"17.05","PBS Ctl 4":"15.01","PBS Ctl 5":"15.54","PBS Ctl 6":"15.73","PBS Ctl 7":"15.05","PBS Ctl 8":"15.25","PBS Ctl 9":"16.87","PBS Ctl 10":"15.61","30mg/kg Sor 1":"15.84","30mg/kg Sor 2":"16.07","30mg/kg Sor 3":"","30mg/kg Sor 4":"14.92","30mg/kg Sor 5":"14.83","30mg/kg Sor 6":"16.02","30mg/kg Sor 7":"15.67","30mg/kg Sor 8":"","30mg/kg Sor 9":"","30mg/kg Sor 10":"14.69"},{"Metabolite":"beta-Hydroxybutyric acid","PBS Ctl 1":"14.95","PBS Ctl 2":"15.93","PBS Ctl 3":"17.33","PBS Ctl 4":"15.45","PBS Ctl 5":"14.97","PBS Ctl 6":"14.62","PBS Ctl 7":"14.64","PBS Ctl 8":"15.36","PBS Ctl 9":"15.84","PBS Ctl 10":"15.25","30mg/kg Sor 1":"15.44","30mg/kg Sor 2":"16.11","30mg/kg Sor 3":"16.09","30mg/kg Sor 4":"15.99","30mg/kg Sor 5":"15.2","30mg/kg Sor 6":"14.91","30mg/kg Sor 7":"16.15","30mg/kg Sor 8":"15.33","30mg/kg Sor 9":"16.57","30mg/kg Sor 10":"15.74"},{"Metabolite":"beta-Sitosterol","PBS Ctl 1":"25.24","PBS Ctl 2":"25.12","PBS Ctl 3":"25.31","PBS Ctl 4":"24.55","PBS Ctl 5":"24.79","PBS Ctl 6":"24.33","PBS Ctl 7":"25.06","PBS Ctl 8":"24.73","PBS Ctl 9":"24.8","PBS Ctl 10":"25.05","30mg/kg Sor 1":"24.99","30mg/kg Sor 2":"25.22","30mg/kg Sor 3":"24.7","30mg/kg Sor 4":"24.8","30mg/kg Sor 5":"24.44","30mg/kg Sor 6":"24.56","30mg/kg Sor 7":"24.87","30mg/kg Sor 8":"24.8","30mg/kg Sor 9":"25","30mg/kg Sor 10":"24.84"},{"Metabolite":"C10 hydrocarbon","PBS Ctl 1":"21.29","PBS Ctl 2":"20.51","PBS Ctl 3":"20.13","PBS Ctl 4":"18.57","PBS Ctl 5":"21.57","PBS Ctl 6":"20.07","PBS Ctl 7":"18.43","PBS Ctl 8":"15.52","PBS Ctl 9":"20.35","PBS Ctl 10":"17.58","30mg/kg Sor 1":"","30mg/kg Sor 2":"15.38","30mg/kg Sor 3":"","30mg/kg Sor 4":"20.37","30mg/kg Sor 5":"22.76","30mg/kg Sor 6":"19.99","30mg/kg Sor 7":"18.82","30mg/kg Sor 8":"20.64","30mg/kg Sor 9":"18.41","30mg/kg Sor 10":""},{"Metabolite":"C11 hydrocarbon","PBS Ctl 1":"22.79","PBS Ctl 2":"23.06","PBS Ctl 3":"23.12","PBS Ctl 4":"22.06","PBS Ctl 5":"22.75","PBS Ctl 6":"22.15","PBS Ctl 7":"22.6","PBS Ctl 8":"22.42","PBS Ctl 9":"22.2","PBS Ctl 10":"22.55","30mg/kg Sor 1":"22.29","30mg/kg Sor 2":"22.84","30mg/kg Sor 3":"22.82","30mg/kg Sor 4":"22.39","30mg/kg Sor 5":"22.27","30mg/kg Sor 6":"22.73","30mg/kg Sor 7":"22.81","30mg/kg Sor 8":"22.27","30mg/kg Sor 9":"21.83","30mg/kg Sor 10":"22.39"},{"Metabolite":"C12 hydrocarbon","PBS Ctl 1":"18.03","PBS Ctl 2":"17.74","PBS Ctl 3":"18","PBS Ctl 4":"17.49","PBS Ctl 5":"18.05","PBS Ctl 6":"17.11","PBS Ctl 7":"17.29","PBS Ctl 8":"17.58","PBS Ctl 9":"17.48","PBS Ctl 10":"17.31","30mg/kg Sor 1":"17.56","30mg/kg Sor 2":"18.06","30mg/kg Sor 3":"18.39","30mg/kg Sor 4":"17.62","30mg/kg Sor 5":"18.26","30mg/kg Sor 6":"17.55","30mg/kg Sor 7":"17.72","30mg/kg Sor 8":"17.29","30mg/kg Sor 9":"17.7","30mg/kg Sor 10":"17.74"},{"Metabolite":"C16 Hydrocarbon","PBS Ctl 1":"12.81","PBS Ctl 2":"14.01","PBS Ctl 3":"14.22","PBS Ctl 4":"","PBS Ctl 5":"13.11","PBS Ctl 6":"13.14","PBS Ctl 7":"","PBS Ctl 8":"","PBS Ctl 9":"14.51","PBS Ctl 10":"13.68","30mg/kg Sor 1":"12.78","30mg/kg Sor 2":"14.35","30mg/kg Sor 3":"","30mg/kg Sor 4":"13.02","30mg/kg Sor 5":"13.78","30mg/kg Sor 6":"12.92","30mg/kg Sor 7":"13.31","30mg/kg Sor 8":"","30mg/kg Sor 9":"","30mg/kg Sor 10":"12.29"},{"Metabolite":"C17 hydrocarbon","PBS Ctl 1":"20.86","PBS Ctl 2":"19.62","PBS Ctl 3":"20.27","PBS Ctl 4":"20.14","PBS Ctl 5":"21.6","PBS Ctl 6":"19.3","PBS Ctl 7":"20.84","PBS Ctl 8":"20.2","PBS Ctl 9":"19.62","PBS Ctl 10":"20.38","30mg/kg Sor 1":"20.58","30mg/kg Sor 2":"20.75","30mg/kg Sor 3":"19.01","30mg/kg Sor 4":"20.25","30mg/kg Sor 5":"20.32","30mg/kg Sor 6":"20.2","30mg/kg Sor 7":"","30mg/kg Sor 8":"19.94","30mg/kg Sor 9":"19.15","30mg/kg Sor 10":"19.1"},{"Metabolite":"C25 hydrocarbon","PBS Ctl 1":"20.82","PBS Ctl 2":"20.47","PBS Ctl 3":"20.39","PBS Ctl 4":"20.18","PBS Ctl 5":"20.4","PBS Ctl 6":"20.18","PBS Ctl 7":"20.2","PBS Ctl 8":"19.73","PBS Ctl 9":"19.82","PBS Ctl 10":"19.92","30mg/kg Sor 1":"20.09","30mg/kg Sor 2":"20.2","30mg/kg Sor 3":"20.47","30mg/kg Sor 4":"20.36","30mg/kg Sor 5":"20.43","30mg/kg Sor 6":"19.95","30mg/kg Sor 7":"20.16","30mg/kg Sor 8":"20.36","30mg/kg Sor 9":"20.11","30mg/kg Sor 10":"19.64"},{"Metabolite":"Campesterol","PBS Ctl 1":"20.44","PBS Ctl 2":"","PBS Ctl 3":"18.17","PBS Ctl 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3":"22.41","PBS Ctl 4":"22.15","PBS Ctl 5":"21.84","PBS Ctl 6":"21.45","PBS Ctl 7":"21.87","PBS Ctl 8":"22.28","PBS Ctl 9":"21.56","PBS Ctl 10":"21.81","30mg/kg Sor 1":"20.67","30mg/kg Sor 2":"21.26","30mg/kg Sor 3":"20.07","30mg/kg Sor 4":"22.16","30mg/kg Sor 5":"21.77","30mg/kg Sor 6":"21.83","30mg/kg Sor 7":"22.17","30mg/kg Sor 8":"21.63","30mg/kg Sor 9":"20.26","30mg/kg Sor 10":"20.65"},{"Metabolite":"Uracil","PBS Ctl 1":"24.03","PBS Ctl 2":"23.77","PBS Ctl 3":"24.26","PBS Ctl 4":"23.58","PBS Ctl 5":"23.61","PBS Ctl 6":"22.93","PBS Ctl 7":"23.43","PBS Ctl 8":"23.3","PBS Ctl 9":"23.73","PBS Ctl 10":"23.74","30mg/kg Sor 1":"23.27","30mg/kg Sor 2":"24.07","30mg/kg Sor 3":"23.79","30mg/kg Sor 4":"23.67","30mg/kg Sor 5":"23.07","30mg/kg Sor 6":"23.1","30mg/kg Sor 7":"23.6","30mg/kg Sor 8":"23.32","30mg/kg Sor 9":"23.64","30mg/kg Sor 10":"22.93"},{"Metabolite":"Urea","PBS Ctl 1":"20.84","PBS Ctl 2":"20.61","PBS Ctl 3":"20.92","PBS Ctl 4":"20.45","PBS Ctl 5":"20.94","PBS Ctl 6":"20.23","PBS Ctl 7":"20.35","PBS Ctl 8":"20.47","PBS Ctl 9":"20.19","PBS Ctl 10":"20.47","30mg/kg Sor 1":"20.87","30mg/kg Sor 2":"20.85","30mg/kg Sor 3":"20.45","30mg/kg Sor 4":"20.79","30mg/kg Sor 5":"20.85","30mg/kg Sor 6":"20.79","30mg/kg Sor 7":"20.53","30mg/kg Sor 8":"20.39","30mg/kg Sor 9":"20.59","30mg/kg Sor 10":"20.47"}],

"Metabolites":[{"metabolite_name":"2-Aminoadipic acid"},{"metabolite_name":"2-Hydroxypyridine"},{"metabolite_name":"3-Phosphoglyceric acid"},{"metabolite_name":"Acetoacetate/2-Aminoisobutanoic acid"},{"metabolite_name":"Adenosine/Inosine"},{"metabolite_name":"Aldopentoses"},{"metabolite_name":"alpha Ketoglutaric acid"},{"metabolite_name":"alpha-Monopalmitin"},{"metabolite_name":"alpha-Monostearin"},{"metabolite_name":"alpha-Tocopherol"},{"metabolite_name":"Aminomalonic acid"},{"metabolite_name":"Arachidic acid/ 1-Heneicosanol"},{"metabolite_name":"Arachidonic acid (also Eicosapentaenoic acid)"},{"metabolite_name":"Ascorbic acid/Isoascorbic acid"},{"metabolite_name":"Asparagine"},{"metabolite_name":"Aspartic acid"},{"metabolite_name":"Benzoic acid"},{"metabolite_name":"beta-Hydroxybutyric acid"},{"metabolite_name":"beta-Sitosterol"},{"metabolite_name":"C10 hydrocarbon"},{"metabolite_name":"C11 hydrocarbon"},{"metabolite_name":"C12 hydrocarbon"},{"metabolite_name":"C16 Hydrocarbon"},{"metabolite_name":"C17 hydrocarbon"},{"metabolite_name":"C25 hydrocarbon"},{"metabolite_name":"Campesterol"},{"metabolite_name":"Creatinine"},{"metabolite_name":"Decanoic acid"},{"metabolite_name":"Dehydroalanine (possibly from cysteine)"},{"metabolite_name":"Dehydroascorbic acid (possibly alpha-ketoglutarate)"},{"metabolite_name":"deuterated Myristic Acid (RTL std)"},{"metabolite_name":"Dihydroxyacetone phosphate"},{"metabolite_name":"Docosahexaenoic acid"},{"metabolite_name":"Docosanoic acid"},{"metabolite_name":"Erythritol/Theitol"},{"metabolite_name":"Ethanolamine"},{"metabolite_name":"Fructose or similar ketohexose"},{"metabolite_name":"Fumaric acid"},{"metabolite_name":"gamma-Hydroxybutyric acid"},{"metabolite_name":"gamma-Tocopherol"},{"metabolite_name":"Glutathione (reduced)"},{"metabolite_name":"Gly-Pro"},{"metabolite_name":"Glycerol 1-phosphate"},{"metabolite_name":"Glyoxylic acid"},{"metabolite_name":"Heptadecanoic acid/Octadecanol"},{"metabolite_name":"Hexanoic acid (and/or Glycolic acid)"},{"metabolite_name":"Hydroxyprolines"},{"metabolite_name":"Inosine/Adenosine"},{"metabolite_name":"Isoleucine/Leucine"},{"metabolite_name":"Lactic acid"},{"metabolite_name":"Lauric acid"},{"metabolite_name":"Malonic acid"},{"metabolite_name":"Methionine"},{"metabolite_name":"Methionine sulfoxide"},{"metabolite_name":"Myoinositol"},{"metabolite_name":"Myoinositol-2-phosphate"},{"metabolite_name":"Myristic acid or Pentadecanol"},{"metabolite_name":"N-Methylalanine/2-Aminobutanoic acid/N-Ethylglycine"},{"metabolite_name":"Nonadecanoic acid"},{"metabolite_name":"Nonanoic acid"},{"metabolite_name":"O-Methylphosphate"},{"metabolite_name":"O-Phosphocolamine"},{"metabolite_name":"Pantothenic acid"},{"metabolite_name":"Pentadecanoic acid/Hexadecanol"},{"metabolite_name":"Pentitols"},{"metabolite_name":"Phenol"},{"metabolite_name":"Phenylalanine"},{"metabolite_name":"Phosphoenolpyruvic acid"},{"metabolite_name":"Proline"},{"metabolite_name":"Pseudouridine"},{"metabolite_name":"Pyruvic acid"},{"metabolite_name":"Serine"},{"metabolite_name":"Siloxanes"},{"metabolite_name":"Spermidine"},{"metabolite_name":"Squalene"},{"metabolite_name":"Stearamide"},{"metabolite_name":"Stearic acid"},{"metabolite_name":"Succinic acid"},{"metabolite_name":"Sucrose and similar disaccharides"},{"metabolite_name":"Taurine"},{"metabolite_name":"Tetradecanedioic acid"},{"metabolite_name":"Threonic acid/erythronic acid"},{"metabolite_name":"Threonine"},{"metabolite_name":"Tiglic acid"},{"metabolite_name":"Trisaccharide"},{"metabolite_name":"Tryptamine/Norepinephrine"},{"metabolite_name":"Tyrosine"},{"metabolite_name":"Uracil"},{"metabolite_name":"Urea"}]
}

}