title: LC-Q/TOF mass spectrometry data driven identification and spectroscopic characterisation of a new 3,4-methylenedioxy-N-benzyl cathinone (BMDP).
abstract: The recent increase in the sell and abuse of substituted cathinones has developed the requirement for fast and reliable screening methods for these compounds in legal high products. This paper shows an example of the successful application of liquid chromatography-high resolution quadrupole time-of-flight mass spectrometry to detection and identification of a new synthetic cathinone 3,4-methylenedioxy-N-benzylcathinone (BMDP) in legal high samples. It discusses the mass spectrometric, the nuclear resonance spectroscopic and infrared spectroscopic data of BMDP. BMDP was first seized in United Kingdom in 2010, it was also seized in Poland in winter of 2010. The structure elucidation of the drug was carried out by high resolution product ion spectrometry after collision induced dissociation, and the product ion spectrometry after electron ionisation and one and two-dimensional (1)H NMR and (13)C NMR spectroscopy supported the findings.
authors.affiliation: Chemistry Department, The John Paul II Catholic University of Lublin, al. Krasnicka 102, 20-718 Lublin, Poland. efornal@kul.lublin.pl
authors.forename: Emilia
authors.initials: E
authors.lastname: Fornal
authors.forename: Anna
authors.initials: A
authors.lastname: Stachniuk
authors.forename: Andrzej
authors.initials: A
authors.lastname: Wojtyla
mesh_terms: D000470:Alkaloids / Q000737:chemistry*; D002853:Chromatography, Liquid / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D013058:Mass Spectrometry / Q000379:methods*
chemical_list: D000470:Alkaloids; C023665:cathinone