title: Structure elucidation of nanogram quantities of unknown designer drugs based on phenylalkylamine derivates by ion trap multiple mass spectrometry.
abstract: Multiple mass spectra (MS(1) to MS(6)) 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-MS(n) structure elucidation of unknowns.
authors.affiliation: Organic Analytical Chemistry, University of Basel, Neuhausstr. 31, 4057, Basel, Switzerland.
authors.forename: Stephan
authors.initials: S
authors.lastname: Kölliker
authors.forename: Michael
authors.initials: M
authors.lastname: Oehme
mesh_terms: D015198:Designer Drugs / Q000032:analysis / Q000737:chemistry*; D015394:Molecular Structure; D010627:Phenethylamines / Q000138:chemical synthesis / Q000737:chemistry*; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D015198:Designer Drugs; D010627:Phenethylamines