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Identification of ten new designer drugs by GC‐MS, UPLC‐QTOF‐MS, and NMR as part of a police investigation of a Danish Internet company
Author(s) -
Reitzel Lotte A.,
Dalsgaard Petur W.,
Müller Irene B.,
Cornett Claus
Publication year - 2012
Publication title -
drug testing and analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.065
H-Index - 54
eISSN - 1942-7611
pISSN - 1942-7603
DOI - 10.1002/dta.358
Subject(s) - mephedrone , designer drug , chemistry , electron ionization , mass spectrometry , chromatography , synthetic cannabinoids , gas chromatography–mass spectrometry , mass spectrum , retention time , pharmacology , drug , organic chemistry , medicine , cannabinoid , biochemistry , ion , receptor , ionization
The ability of forensic laboratories to detect and identify unknown compounds is highly important since new, non‐controlled designer drugs are appearing on the market with increasing frequency. In this study, the combined use of gas chromatography‐mass spectrometry (GC‐MS) and ultra performance liquid chromatography‐quadrupole time of flight‐mass spectrometry (UPLC‐QTOF‐MS) was used for screening of new unknowns. In one large seizure from a Danish Internet company, ten different drugs were identified. Several of the compounds were seized for the first time in Denmark. The GC‐MS and UPLC‐QTOF‐MS analyses were supplemented by nuclear magnetic resonance (NMR) spectra for the structural elucidation of p ‐fluoroamphetamine, mephedrone (4‐methylmethcathinone), flephedrone (4‐fluoromethcathinone), PPP (α‐pyrrolidinopropiophenone), MDPV (3,4‐methylenedioxypyrovalerone), Bk‐MBDB (2‐methylamino‐1‐(3,4‐methylenedioxyphenyl)butan‐1‐one), p FBT (3‐(pfluorobenzoyl)‐tropane), and JWH‐073 (1‐butyl‐3‐(1‐naphthoyl)indol), whereas methylone (3,4‐methylenedioxymethcathinone) and N‐ethylcathinone matched electron impact‐mass spectrometry (EI‐MS) library spectra and therefore the screenings were considered sufficient. EI‐MS spectra and the proposed main fragmentation patterns are presented as well as QTOF‐MS exact masses and fragments and NMR chemical shifts. For the β‐ketophenylethylamines (mephedrone, flephedrone, PPP, MDPV, Bk‐MBDB, methylone, and N‐ethylcathinone) some general fragmentation patterns observed in the EI‐MS and QTOF‐MS spectra are further discussed and compared to other β‐ketophenylethylamines. Copyright © 2011 John Wiley & Sons, Ltd.