title: Headspace analysis of new psychoactive substances using a Selective Reagent Ionisation-Time of Flight-Mass Spectrometer.
abstract: The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required. A Selective Reagent Ionisation-Time of Flight-Mass Spectrometry (SRI-ToF-MS) instrument is capable of meeting all of these requirements. With its high mass resolution (up tom/Δmof 8000), the application of variations in reduced electric field strength (E/N) and use of different reagent ions, the ambiguity of a nominal (monoisotopic)m/zis reduced and hence the identification of chemicals in a complex chemical environment with a high level of confidence is enabled. In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O+, O2+, NO+and Kr+with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine. In particular, the dependence of product ion branching ratios on the reduced electric field strength for all reagent ions was investigated and is reported here. The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria ; Lancaster Environment Centre, Lancaster University, LA1 4YQ Lancaster, UK.
authors.forename: W Joe
authors.initials: WJ
authors.lastname: Acton
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria ; Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck, Austria.
authors.forename: Matteo
authors.initials: M
authors.lastname: Lanza
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Bishu
authors.initials: B
authors.lastname: Agarwal
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Simone
authors.initials: S
authors.lastname: Jürschik
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Philipp
authors.initials: P
authors.lastname: Sulzer
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria ; Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck, Austria.
authors.forename: Kostiantyn
authors.initials: K
authors.lastname: Breiev
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Alfons
authors.initials: A
authors.lastname: Jordan
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Eugen
authors.initials: E
authors.lastname: Hartungen
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Gernot
authors.initials: G
authors.lastname: Hanel
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria.
authors.forename: Lukas
authors.initials: L
authors.lastname: Märk
authors.affiliation: School of Physics and Astronomy, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK.
authors.forename: Chris A
authors.initials: CA
authors.lastname: Mayhew
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria ; Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstr. 25, 6020 Innsbruck, Austria.
authors.forename: Tilmann D
authors.initials: TD
authors.lastname: Märk
keywords: Branching ratios; Drug detection; New psychoactive substances; PTR-MS; SRI-TOF-MS
references.citation: Rapid Commun Mass Spectrom. 2009 Dec;23(23):3875-80
references.pmid: 19902419
references.citation: Forensic Sci Int. 2010 Jan 30;194(1-3):53-9
references.pmid: 19900772
references.citation: J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Mar 1;847(2):224-30
references.pmid: 17070118
references.citation: Forensic Sci Int. 2004 Jun 30;143(1):21-5
references.pmid: 15177627
references.citation: J Mass Spectrom. 2013 Sep;48(9):1015-8
references.pmid: 24078242
references.citation: Anal Bioanal Chem. 2010 Dec;398(7-8):2813-20
references.pmid: 20803004
references.citation: Drug Test Anal. 2013 Mar;5(3):145-9
references.pmid: 21770051
references.citation: J Forensic Sci. 1988 Mar;33(2):569-75
references.pmid: 3286815
references.citation: Anal Bioanal Chem. 2011 Jun;400(8):2631-9
references.pmid: 21475946
references.citation: Anal Chem. 2012 May 1;84(9):4161-6
references.pmid: 22482459
references.citation: Rapid Commun Mass Spectrom. 2013 Jan 30;27(2):325-32
references.pmid: 23239380
references.citation: Forensic Sci Int. 2005 Mar 10;148(2-3):143-56
references.pmid: 15639609
references.citation: Drug Test Anal. 2013 Mar;5(3):203-7
references.pmid: 22733704
references.citation: Rapid Commun Mass Spectrom. 2012 Apr 30;26(8):983-9
references.pmid: 22396036
references.citation: J Mass Spectrom. 2012 Sep;47(9):1092-7
references.pmid: 22972776