title: Identification of a new tert-leucinate class synthetic cannabinoid in powder and "spice-like" herbal incenses: Methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethyl-butanoate (5F-MDMB-PICA).
abstract: A brown powder and different product packages of "spice-like" herbal incenses were analyzed using a systematic identification approach based on liquid chromatography with diode array detector (HPLC-PDA) and gas chromatography mass spectrometry (GC-MS) with computer based library search against spectral libraries. However, the most predominant compound in the methanolic sample solutions could not be identified. In order to elucidate the chemical structure, a more extensive analysis of the material was initiated using liquid chromatography mass spectrometry (LC-MS), electrospray high resolution mass spectrometry (ESI-HRMS) and1H,13C and19F nuclear magnetic resonance spectroscopy (NMR), which allowed the identification and characterization of the major compound as methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethyl-butanoate (5F-MDMB-PICA). The goal of this study is to provide analytical information for the identification of this new tert-leucinate class synthetic cannabinoid by various analytical methods.
authors.affiliation: Laboratory for Medicinal Chemistry, Ghent University, Ottergemsesteenweg 460, 9000 Gent, Belgium.
authors.forename: Martijn D P
authors.initials: MDP
authors.lastname: Risseeuw
authors.affiliation: Belgian Early Warning System Drugs, Scientific Institute of Public Health, Juliette Wytsmanstraat 14, 1050 Brussel, Belgium.
authors.forename: Peter
authors.initials: P
authors.lastname: Blanckaert
authors.affiliation: Eurofins Forensics Belgium, Lieven Bauwensstraat 6, 8200 Brugge, Belgium.
authors.forename: Vera
authors.initials: V
authors.lastname: Coopman
authors.affiliation: Eurofins Forensics Belgium, Lieven Bauwensstraat 6, 8200 Brugge, Belgium.
authors.forename: Stijn
authors.initials: S
authors.lastname: Van Quekelberghe
authors.affiliation: Laboratory for Medicinal Chemistry, Ghent University, Ottergemsesteenweg 460, 9000 Gent, Belgium.
authors.forename: Serge
authors.initials: S
authors.lastname: Van Calenbergh
authors.affiliation: Eurofins Forensics Belgium, Lieven Bauwensstraat 6, 8200 Brugge, Belgium. Electronic address: jancordonnier@eurofins.be.
authors.forename: Jan
authors.initials: J
authors.lastname: Cordonnier
keywords: 5F-MDMB-PICA; ESI-HRMS; GC–MS; HPLC–PDA; LC–MS; NMR; Synthetic cannabinoid