Proscaline and methallylescaline are two phenylethylamine derivatives of the classic hallucinogen mescaline, classified as new psychoactive substances (NPS) not controlled by international drug conventions. Limited toxicity information has hindered their identification. Using high-resolution mass spectrometry with three complementary models—computational prediction, zebrafish (in vivo), and human liver microsomes (in vitro)—the study identified 7 proscaline metabolites and 11 methallylescaline metabolites for the first time. Hydroxylated and N-acetylated products were the major metabolites, enabling their selection as biomarkers for detecting intake of these two NPS over a relatively wide detection window.
A new high-throughput screening method using gas chromatography–high-resolution mass spectrometry (GC-HRMS) identifies 30 phencyclidine analogs in human blood and urine. After a simple extraction with ethyl ether and buffer, analytes are identified using a self-built library and reference spectra; isomers are differentiated by exact molecular mass and retention time. The method shows no interferences, recovery ranges from 30% to 123%, and detection limits from 0.05 to 5 ng/mL. Applied to 800 authentic forensic cases, it detected four analogs—2-F-2-oxo-PCE, 3-MeO-PCE, O-PCE, and 2-FDCK—demonstrating suitability for sensitive, fast high-throughput drug screening.