Simulation of the Metabolism of New Psychoactive Substances Using Electrochemistry-Mass Spectrometry: Introducing an Innovative Software Tool for Rapid Data Evaluation.

ABSTRACT: An innovative software tool for the rapid and efficient simulation of the metabolism of new psychoactive substances (NPS) was developed, based on the open-source project mzmine, and applied. NPS are compounds designed to mimic the psychotropic effects of established illicit drugs while circumventing drug legislation. These compounds are developed solely regarding their desired effects, thus possibly leading to harmful side effects including the formation of toxic metabolites. Analytical reference standards, needed to carry out metabolic studies, are not immediately available because emerging NPS are primarily discovered subsequent to drug confiscations. Using these confiscated substances in traditional metabolic in vivo or in vitro studies is often not possible due to the substances being

SUBMITTER: Wesner M 

PROVIDER: S-EPMC12861597 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature