Quantification of MDMA in seized tablets using benchtop H-1 NMR spectroscopy in the absence of internal standards

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Hussain, J. Hena, Gilbert, Nicolas, Costello, Andrew, Schofield, Christopher J., Kemsley, Kate ORCID: https://orcid.org/0000-0003-0669-3883, Sutcliffe, Oliver B. and Mewis, Ryan E. (2020) Quantification of MDMA in seized tablets using benchtop H-1 NMR spectroscopy in the absence of internal standards. Forensic Chemistry, 20. ISSN 2468-1709

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Abstract

Recreational MDMA use is a worldwide problem. Tablet dosage varies, thus entailing a requirement for quan titative analysis. The quantification of MDMA in tablets using benchtop H-1 NMR spectroscopy via either linear regression ('manual' method) or partial least square regression ('automated' method) approaches are reported, without the need for an internal standard, and compared against contemporaneously obtained GC-MS data. Twenty samples were evaluated of which 15 were proven to contain MDMA, via qualitative NMR (hit score >= 0.97) and GC-MS (R-t = 5.6 min) analysis. Quantitative NMR analysis showed that the mean value of MDMA content was 42.6% w/w by the manual method and 45.9% w/w by the automated method. The mean value obtained from GC analysis was 44.0% w/w. A substantial proportion (n = 9) of the tablets tested possessed > 190 mg of MDMA (range 133-223 mg, average of all techniques' calculations for each tablet). This value is higher than the reported average MDMA content of tablets by the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA), which was ca. 125 mg of MDMA per tablet in 2016.

Item Type:	Article
Uncontrolled Keywords:	nmr,gc-ms,quantification,mdma,performance liquid-chromatography,mass-spectrometry,3,4-methylenedioxymethamphetamine mdma,ecstasy tablets,drugs,paramethoxyamphetamine,amphetamines,netherlands,purity,sdg 3 - good health and well-being ,/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_being
Faculty \ School:	Faculty of Science > School of Chemistry
Related URLs:	http://www.scopus.com/inward/record.url?...
Depositing User:	LivePure Connector
Date Deposited:	12 Jan 2021 00:54
Last Modified:	13 Feb 2023 01:26
URI:	https://ueaeprints.uea.ac.uk/id/eprint/78146
DOI:	10.1016/j.forc.2020.100263

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