In silico prediction, LC-HRMS/MS analysis, and targeted/untargeted data-mining workflow for the profiling of phenylfentanyl in vitro metabolites
Annagiulia Di Trana, Pietro Brunetti, Raffaele Giorgetti, Enrico Marinelli, Simona Zaami, Francesco Paolo Busardò, Jérémy Carlier
Topics & Concepts
ChemistryIn silicoDrug metabolismComputational biologyIn vitroWorkflowTandem mass spectrometryChromatographyPharmacologyMetabolismMass spectrometryBiochemistryDatabaseMedicineComputer scienceBiologyGeneForensic Toxicology and Drug AnalysisMetabolomics and Mass Spectrometry StudiesPharmacogenetics and Drug Metabolism