Structure elucidation of nanogram quantities of unknown designer drugs based on phenylalkylamine derivates by ion trap multiple mass spectrometry

Multiple mass spectra (MS1 to MS6) of 55 phenylalkylamine derivatives were recorded with ion-trap mass spectrometry employing electrospray (ESI) and atmospheric pressure chemical ionization (APCI). Fragmentation patterns were studied in detail and a generally applicable scheme was established for elucidation of the structures of phenylalkylamine derivatives. HPLC combined with ion-trap multiple mass spectrometry was used to identify the structure of reaction by-products in ecstasy samples from the black market. Low nanogram amounts were sufficient for on-line HPLC-MSn structure elucidation of unknowns.