The potential for complementary targeted/non-targeted screening of novel psychoactive substances in equine urine using liquid chromatography-high resolution accurate mass spectrometry

Cawley, A; Pasin, D; Ganbat, N; Ennis, L; Smart, C; Greer, C; Keledjian, J; Fu, S; Chen, A

The potential for complementary targeted/non-targeted screening of novel psychoactive substances in equine urine using liquid chromatography-high resolution accurate mass spectrometry

Cawley, A Pasin, D

Ganbat, N Ennis, L Smart, C Greer, C Keledjian, J Fu, S

Chen, A

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Publication Type:: Journal Article
Citation:: Analytical Methods, 2016, 8 (8), pp. 1789 - 1797
Issue Date:: 2016-02-28

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Field	Value	Language
dc.contributor.author	Cawley, A	en_US
dc.contributor.author	Pasin, D https://orcid.org/0000-0002-5037-7290	en_US
dc.contributor.author	Ganbat, N	en_US
dc.contributor.author	Ennis, L	en_US
dc.contributor.author	Smart, C	en_US
dc.contributor.author	Greer, C	en_US
dc.contributor.author	Keledjian, J	en_US
dc.contributor.author	Fu, S https://orcid.org/0000-0002-6238-3612	en_US
dc.contributor.author	Chen, A	en_US
dc.date.issued	2016-02-28	en_US
dc.identifier.citation	Analytical Methods, 2016, 8 (8), pp. 1789 - 1797	en_US
dc.identifier.issn	1759-9660	en_US
dc.identifier.uri	http://hdl.handle.net/10453/122675
dc.description.abstract	© The Royal Society of Chemistry 2016. The potential for liquid chromatography-high resolution accurate mass (LC-HRAM) spectrometry to identify 'unknown' compounds using non-targeted screening methods provides a potential advantage in the fight against doping in sport. This innovation comes with the requirement for assessment to support its use in the medico-legal context. A method for the LC-HRAM detection of 2,5-dimethoxy-N-(2-methoxybenzyl)phenethylamine (NBOMe) compounds in equine urine was validated in order to assess the capabilities of a workflow developed for non-targeted analysis using the SIEVE® differential analysis software platform. Six NBOMe compounds (25B, 25C, 25D, 25E, 25H and 25I) were studied to develop and optimize the proposed non-targeted screening workflow before two additional candidates (25N and 25T2) were used as blind controls for verification. Chromatographic alignment and the integration threshold were found to be the most critical parameters for successful identification of 'unknown' responses. The proposed workflow serves as an example for anti-doping laboratories to implement fit-for-purpose non-targeted screening methods.	en_US
dc.relation.ispartof	Analytical Methods	en_US
dc.relation.isbasedon	10.1039/c6ay00156d	en_US
dc.title	The potential for complementary targeted/non-targeted screening of novel psychoactive substances in equine urine using liquid chromatography-high resolution accurate mass spectrometry	en_US
dc.type	Journal Article
utslib.citation.volume	8	en_US
utslib.for	0301 Analytical Chemistry	en_US
utslib.for	0399 Other Chemical Sciences	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CCET - Centre for Clean Energy Technology
pubs.organisational-group	/University of Technology Sydney/Strength - CFS - Centre for Forensic Science
utslib.copyright.status	open_access
pubs.issue	8	en_US
pubs.publication-status	Published	en_US
pubs.volume	8	en_US

Abstract:

© The Royal Society of Chemistry 2016. The potential for liquid chromatography-high resolution accurate mass (LC-HRAM) spectrometry to identify 'unknown' compounds using non-targeted screening methods provides a potential advantage in the fight against doping in sport. This innovation comes with the requirement for assessment to support its use in the medico-legal context. A method for the LC-HRAM detection of 2,5-dimethoxy-N-(2-methoxybenzyl)phenethylamine (NBOMe) compounds in equine urine was validated in order to assess the capabilities of a workflow developed for non-targeted analysis using the SIEVE® differential analysis software platform. Six NBOMe compounds (25B, 25C, 25D, 25E, 25H and 25I) were studied to develop and optimize the proposed non-targeted screening workflow before two additional candidates (25N and 25T2) were used as blind controls for verification. Chromatographic alignment and the integration threshold were found to be the most critical parameters for successful identification of 'unknown' responses. The proposed workflow serves as an example for anti-doping laboratories to implement fit-for-purpose non-targeted screening methods.

Please use this identifier to cite or link to this item:

http://hdl.handle.net/10453/122675