Utilization of Machine Learning for the Differentiation of Positional NPS Isomers with Direct Analysis in Real Time Mass Spectrometry-Reference-Cited by-同舟云学术

Utilization of Machine Learning for the Differentiation of Positional NPS Isomers with Direct Analysis in Real Time Mass Spectrometry

Published:2022-03-17 Issue:12 Volume:94 Page:5029-5040
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Bonetti Jennifer L.¹²^ORCID,Samanipour Saer¹^ORCID,van Asten Arian C.¹³

Affiliation:

1. Van’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, Amsterdam 1090 GD, The Netherlands

2. Virginia Department of Forensic Science, Norfolk, Virginia 23606, United States

3. Co van Ledden Hulsebosch Center (CLHC), Amsterdam Center for Forensic Science and Medicine, 1098 XH Amsterdam, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.1c04985

Reference46 articles.

1. Regional diversity and the impact of scheduling on NPS trends. https://www.unodc.org/documents/scientific/GlobalSMART_25_web.pdf (accessed: Oct 15, 2021).

2. Ministry of Health, Wellbeing and Sports, Decree of 25 October 2021, amending lists I and II, belonging to the Opium Act, in connection with the placement on list II of 3-MMC, as well as placement on lists I and II of a number of other substances. https://zoek.officielebekendmakingen.nl/stb-2021-504.html (accessed: Oct 15, 2021).

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

4. Resolution of isomeric new designer stimulants using gas chromatography – Vacuum ultraviolet spectroscopy and theoretical computations

5. Distinguishing drug isomers in the forensic laboratory: GC–VUV in addition to GC–MS for orthogonal selectivity and the use of library match scores as a new source of information

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