{"id":4491,"date":"2024-02-15T16:02:41","date_gmt":"2024-02-15T21:02:41","guid":{"rendered":"https:\/\/scienceweb.clemson.edu\/imms\/?p=4491"},"modified":"2024-04-12T13:42:53","modified_gmt":"2024-04-12T17:42:53","slug":"new-paper-separation-and-characterization-of-synthetic-cannabinoid-metabolite-isomers-using-slim-high-resolution-ion-mobility-tandem-mass-spectrometry-hrim-ms-ms","status":"publish","type":"post","link":"https:\/\/scienceweb.clemson.edu\/imms\/new-paper-separation-and-characterization-of-synthetic-cannabinoid-metabolite-isomers-using-slim-high-resolution-ion-mobility-tandem-mass-spectrometry-hrim-ms-ms\/","title":{"rendered":"Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS\/MS)"},"content":{"rendered":"

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS\/MS)<\/span><\/h1>\n

Ralph Aderorho<\/span>,\u00a0<\/span>Shadrack Wilson Lucas<\/span>, and <\/span>Christopher D. Chouinard<\/span>*<\/strong><\/p>\n

J. Am. Soc. Mass Spectrom.<\/i><\/span>\u00a02024<\/span>, 35<\/span>, 3<\/span>, 582\u2013589<\/span><\/div>\n
\n

Publication Date<\/span>: <\/span>February 15, 2024<\/span><\/p>\n

https:\/\/doi.org\/10.1021\/jasms.3c00419<\/a><\/div>\n<\/div>\n
<\/div>\n
Synthetic cannabinoids, a subclass of new psychoactive substances (NPS), are laboratory-made substances that are chemically similar to those found naturally in the cannabis plant. Many of these substances are illicitly manufactured and have been associated with severe health problems, prompting a need to develop analytical methods capable of characterizing both known and previously undetected compounds. This work focuses on a novel Structures for Lossless Ion Manipulations (SLIM) IM-MS approach to the differentiation and structural characterization of synthetic cannabinoid metabolites, specifically MDA-19\/BUTINACA, JWH-018, and JWH-250 isomer groups. These different compound classes are structurally very similar, differing only in the position of one or a few functional groups; this yielded similarity in measured collision cross section (CCS) values. However, the high resolution of SLIM IM provided adequate separation of many of these isomers, such as sodiated JWH-250 metabolites N-4-OH, N-5-OH, and 5-OH, which displayed CCS of 187.5, 182.5, and 202.3 \u00c52<\/sup>, respectively. In challenging cases where baseline separation was precluded due to nearly identical CCS, such as for JWH-018 isomers, simple derivatization by dansyl chloride selectively reacted with the 6-OH compound to provide differentiation of all isomers using a combination of CCS and\u00a0m<\/i>\/z<\/i>. Finally, the opportunity to use this method for structural elucidation of unknowns was demonstrated by using SLIM IM mobility-aligned MS\/MS fragmentation. Different MDA-19\/BUTINACA isomers were first mobility separated and could then be individually activated, yielding unique fragments for both targeted identification and structural determination. Overall, the described SLIM IM-MS\/MS workflow provides significant potential as a rapid screening tool for the characterization of emerging NPS such as synthetic cannabinoids and their metabolites.<\/div>\n","protected":false},"excerpt":{"rendered":"

Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS\/MS) Ralph Aderorho,\u00a0Shadrack Wilson Lucas, and Christopher D. Chouinard* J. Am. Soc. Mass Spectrom.\u00a02024, 35, 3, 582\u2013589 Publication Date: February 15, 2024 https:\/\/doi.org\/10.1021\/jasms.3c00419 Synthetic cannabinoids, a subclass of new psychoactive substances (NPS), are laboratory-made substances that are chemically similar to…<\/p>\n","protected":false},"author":42,"featured_media":4492,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":"","_links_to":"","_links_to_target":""},"categories":[98,115],"tags":[],"class_list":["post-4491","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-analytical-papers","category-news","category-98","category-115","description-off"],"_links":{"self":[{"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/posts\/4491","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/users\/42"}],"replies":[{"embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/comments?post=4491"}],"version-history":[{"count":0,"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/posts\/4491\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/media\/4492"}],"wp:attachment":[{"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/media?parent=4491"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/categories?post=4491"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/scienceweb.clemson.edu\/imms\/wp-json\/wp\/v2\/tags?post=4491"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}