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Comparative study of the analysis of seized samples by GC-MS, 1H NMR and FT-IR spectroscopy within a night-time economy (NTE) setting

Comparative study of the analysis of seized samples by GC-MS, 1H NMR and FT-IR spectroscopy within a night-time economy (NTE) setting
Comparative study of the analysis of seized samples by GC-MS, 1H NMR and FT-IR spectroscopy within a night-time economy (NTE) setting
Rapid analysis of surrendered or seized drug samples provides important intelligence for health (e.g. treatment or harm reduction), and custodial services. Herein, three in-situ techniques, GC-MS, 1H NMR and FT-IR spectroscopy, with searchable libraries, are used to analyse 318 samples qualitatively, using technique specific library-based searches, obtained over the period 24th – 29th August 2019. 259 samples were identified as consisting of a single component, of which cocaine was the most prevalent (n = 158). Median match scores for all three techniques were ≥0.84 and showed agreement except for metformin (n = 1), oxandrolone (identified as vitamin K by IR (n = 4)), diazepam (identified as zolpidem by FT-IR (n = 2)) and 2-Br-4,5-DMPEA (n = 1) a structural isomer of 2C-B identified as a polymer of cellulose (cardboard) by FT-IR. 51 samples were found to consist of two or more components, of which 49 were adulterated cocaine samples (45 binary and 4 tertiary samples). GC-MS identified all components present in the 49 adulterated cocaine samples, whereas IR identified only cocaine in 88% of cases (adulterant only = 12%). The breakdown for 1H NMR spectroscopy was all components identified (51%), cocaine only (33%), adulterant only (10%), cocaine and one adulterant (tertiary mixtures only, 6%).
Drug detection, FT-IR, GC-MS, Harm reduction, NMR
0731-7085
Dixon, David
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Antonides, Lysbeth
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Costello, Andrew
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Crane, Benjamin
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Embleton, Arran
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Fletcher, Mark
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Gilbert, Nicolas
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Hulme, Matthew
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James, Molly
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Lever, Michael
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Maccallum, Conner
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Millea, Molly
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Pimlott, Jessica
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Robertson, Thomas
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Rudge, Nathan
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Schofield, Christopher
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Zukowicz, Filip
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Kemsley, Kate
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Sutcliffe, Oliver
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Mewis, Ryan
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Dixon, David
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Antonides, Lysbeth
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Costello, Andrew
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Crane, Benjamin
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Embleton, Arran
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Fletcher, Mark
abb6726d-f92b-4391-8c21-dde03dc3545d
Gilbert, Nicolas
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Hulme, Matthew
1391c27e-7780-4297-bf21-ecf0f9285cac
James, Molly
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Lever, Michael
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Maccallum, Conner
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Millea, Molly
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Pimlott, Jessica
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Robertson, Thomas
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Rudge, Nathan
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Schofield, Christopher
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Zukowicz, Filip
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Kemsley, Kate
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Sutcliffe, Oliver
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Mewis, Ryan
ceb23383-2caa-42a1-99bc-d63540058b29

Dixon, David, Antonides, Lysbeth, Costello, Andrew, Crane, Benjamin, Embleton, Arran, Fletcher, Mark, Gilbert, Nicolas, Hulme, Matthew, James, Molly, Lever, Michael, Maccallum, Conner, Millea, Molly, Pimlott, Jessica, Robertson, Thomas, Rudge, Nathan, Schofield, Christopher, Zukowicz, Filip, Kemsley, Kate, Sutcliffe, Oliver and Mewis, Ryan (2022) Comparative study of the analysis of seized samples by GC-MS, 1H NMR and FT-IR spectroscopy within a night-time economy (NTE) setting. Journal of Pharmaceutical and Biomedical Analysis, 219, [114950]. (doi:10.1016/j.jpba.2022.114950).

Record type: Article

Abstract

Rapid analysis of surrendered or seized drug samples provides important intelligence for health (e.g. treatment or harm reduction), and custodial services. Herein, three in-situ techniques, GC-MS, 1H NMR and FT-IR spectroscopy, with searchable libraries, are used to analyse 318 samples qualitatively, using technique specific library-based searches, obtained over the period 24th – 29th August 2019. 259 samples were identified as consisting of a single component, of which cocaine was the most prevalent (n = 158). Median match scores for all three techniques were ≥0.84 and showed agreement except for metformin (n = 1), oxandrolone (identified as vitamin K by IR (n = 4)), diazepam (identified as zolpidem by FT-IR (n = 2)) and 2-Br-4,5-DMPEA (n = 1) a structural isomer of 2C-B identified as a polymer of cellulose (cardboard) by FT-IR. 51 samples were found to consist of two or more components, of which 49 were adulterated cocaine samples (45 binary and 4 tertiary samples). GC-MS identified all components present in the 49 adulterated cocaine samples, whereas IR identified only cocaine in 88% of cases (adulterant only = 12%). The breakdown for 1H NMR spectroscopy was all components identified (51%), cocaine only (33%), adulterant only (10%), cocaine and one adulterant (tertiary mixtures only, 6%).

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Accepted/In Press date: 15 July 2022
e-pub ahead of print date: 19 July 2022
Published date: 30 July 2022
Additional Information: Funding Information: O.B.S. and R.E.M. wish to thank Manchester Metropolitan University and Oxford Instruments for the provision of a match funded studentship for M.C.H. Manchester Metropolitan University is also thanked for a Vice-Chancellor Studentship for T.B.R.R. The Natural Sciences and Engineering Research Council of Canada ( 396154510 ) and Fonds de Recherche du queuébec - Nature et Technologie ( 206375 ) are thanked for funding N.G. Publisher Copyright: © 2022 The Authors
Keywords: Drug detection, FT-IR, GC-MS, Harm reduction, NMR

Identifiers

Local EPrints ID: 468669
URI: http://eprints.soton.ac.uk/id/eprint/468669
ISSN: 0731-7085
PURE UUID: 75ce9743-8d9b-407b-92f6-be1bb0580783
ORCID for Thomas Robertson: ORCID iD orcid.org/0000-0001-9394-6185

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Date deposited: 19 Aug 2022 17:21
Last modified: 20 Aug 2022 02:00

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Contributors

Author: David Dixon
Author: Lysbeth Antonides
Author: Andrew Costello
Author: Benjamin Crane
Author: Arran Embleton
Author: Mark Fletcher
Author: Nicolas Gilbert
Author: Matthew Hulme
Author: Molly James
Author: Michael Lever
Author: Conner Maccallum
Author: Molly Millea
Author: Jessica Pimlott
Author: Nathan Rudge
Author: Christopher Schofield
Author: Filip Zukowicz
Author: Kate Kemsley
Author: Oliver Sutcliffe
Author: Ryan Mewis

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