Tentative identification of in vitro metabolites of 5 APDB, a synthetic benzofuran, by LC Q/TOF MS.
5 (2 Aminopropyl) 2,3 dihydrobenzofuran (5 APDB) is a designer drug of phenethylamine and amphetamine class. In this study, the in vitro metabolism of 5 APDB was investigated in rat and human liver microsomes and human hepatocytes to characterize its metabolites. 5 APDB was incubated with microsomes or hepatocytes, and the reaction mixture was analyzed using liquid chromatography quadrupole time of flight with tandem mass spectrometry (LC Q/TOF MS) 5 APDB was metabolized to yield three metabolites (M1, M2 and M3) These metabolites were structurally characterized on the basis of accurate mass analysis and MS/MS fragmentation patterns. Metabolite M1 and M2 were identified as hydroxylated metabolites in the benzofuran moiety; M3 was a reduced metabolite which may be generated from M1 or M2 via dehydration. These results provide evidence for the in vivo 5 APDB metabolism, and would be forensically useful for the detection of 5 APDB and its metabolites in biological samples.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences