Dataset for Elucidating the Metabolism of Chiral PCB95 in Wildtype and Transgenic Mouse Models with Altered Cytochrome P450 Enzymes Using Intestinal Content Screening

This dataset summarizes a study investigating the metabolic pathways of 2,2’,3,5,5’-pentachlorinated biphenyl (PCB 95) in the intestinal contents of wild-type (WT), Cyp2abfgs-null (KO), and CYP2A6-transgenic/Cyp2abfgs-null (KI) mice. These mice were exposed to racemic PCB 95 (1 mg/kg body weight) using stripped corn oil as the vehicle in a single gavage dose. PCB 95 and its hydroxylated metabolites (as methoxylated derivatives) were analyzed using gas chromatography-tandem mass spectrometry (GC-MS/MS) in multiple reaction monitoring (MRM) mode. Additionally, more complex PCB 95 metabolites, including various hydroxylated PCB and PCB sulfate metabolites, were analyzed using liquid chromatography-high-resolution mass spectrometry (LC-HRMS). The dataset includes the weight of intestinal contents, mass and concentration of PCB 95 and its metabolites in the samples, and recovery rates for ongoing precision and recovery (OPR) samples as well as surrogate standards, values of enantiomeric fraction (EF) of chiral PCB95, relevant levels of untargeted PCB metabolites, and raw data of GC-MS/MS and LC-HRMS with open mzML files.