Identification of closely related new psychoactive substances (NPS) using solid deposition gas-chromatography infra-red detection (GC–IRD) spectroscopy

•Advantages of GC–IRD over GC–MS in the differentiation of isomers of synthetic cannabinoids and synthetic cathinones.•Using instrument generated quality match factors as objective criteria in determining the correctness of a spectrum. The challenges associated with the identification of new NPS hav...

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Bibliographic Details
Published in:Forensic science international 2019-06, Vol.299, p.21-33
Main Authors: Shirley Lee, Hui Zhi, Koh, Hui Boon, Tan, Sylvia, Goh, Ben Justin, Lim, Rachael, Lim, Jong Lee Wendy, Angeline Yap, Tiong Whei
Format: Article
Language:English
Subjects:
Algorithm based criteria
Algorithms
Chromatography
Deposition
Forensic sciences
Gas chromatography
GC–IRD
Identification
Infrared spectroscopy
Isomers
Laboratories
Legislation
NMR
NPS
Nuclear magnetic resonance
Quality match factor
Rings (mathematics)
Spectroscopy
Temperature
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Summary:•Advantages of GC–IRD over GC–MS in the differentiation of isomers of synthetic cannabinoids and synthetic cathinones.•Using instrument generated quality match factors as objective criteria in determining the correctness of a spectrum. The challenges associated with the identification of new NPS have become more apparent with the increasing number of new drugs in the market and the need to identify the specific isomer due to legislation concomitant with the lack of reference standards for comparison. A recent new tandem technique, solid deposition gas chromatography–infra red detection spectroscopy (GC–IRD), which incorporates the GC for the separation of the different components in the sample matrix and infrared red (IR) spectroscopy which provides unique IR spectra of each component, has provided the necessary discrimination for the identification of isomers. This paper presents the identification and the application of an algorithm-based criteria (ABC) for the evaluation of the quality match factor (QMF) as an objective critical criteria in determining the correctness of an identification of close analogues in four classes of compounds; namely the JWH-018 and its structural isomers, AM-2201 and its fluoro positional isomers in the pentyl group, methylmethcathinone (MMC) and its methyl positional isomers in the phenyl ring, and dibutylone and its close analogues.
ISSN:0379-0738
1872-6283
DOI:10.1016/j.forsciint.2019.03.025