Emerging Synthetic Cannabinoids: Development and Validation of a Novel Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Assay for Real-Time Detection.
Identifieur interne : 000291 ( Main/Corpus ); précédent : 000290; suivant : 000292Emerging Synthetic Cannabinoids: Development and Validation of a Novel Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Assay for Real-Time Detection.
Auteurs : Alex J. Krotulski ; Amanda L A. Mohr ; Barry K. LoganSource :
- Journal of analytical toxicology [ 1945-2403 ] ; 2020.
English descriptors
- KwdEn :
- Biological Assay (MeSH), Cannabinoids (analysis), Cannabinoids (chemistry), Chromatography, Liquid (MeSH), Forensic Toxicology (MeSH), Gas Chromatography-Mass Spectrometry (MeSH), Illicit Drugs (analysis), Illicit Drugs (chemistry), Indazoles (MeSH), Mass Spectrometry (MeSH), Synthetic Drugs (analysis), Synthetic Drugs (chemistry).
- MESH :
- chemical , analysis : Cannabinoids, Illicit Drugs, Synthetic Drugs.
- chemical , chemistry : Cannabinoids, Illicit Drugs, Synthetic Drugs.
- Biological Assay, Chromatography, Liquid, Forensic Toxicology, Gas Chromatography-Mass Spectrometry, Indazoles, Mass Spectrometry.
Abstract
Synthetic cannabinoids pose significant threats to public health and safety, as their implications in overdose and adverse events continue to arise in United States and around the world. Synthetic cannabinoids have seen several generations of chemically diverse structural elements, impacting potency and effects. These factors create new analytical challenges for forensic laboratories. This report describes an efficient liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) assay for the identification of synthetic cannabinoid parent compounds and metabolites, including real-time identification of emergent compounds, using a SCIEX TripleTOF® 5600+ with non-targeted SWATH® acquisition. Method validation evaluated precision/accuracy, limits of detection, interferences, processed sample stability and carryover, for which 19 parent compounds and 19 metabolites were tested. To demonstrate feasibility, de-identified blood sample extracts were acquired from a large forensic toxicology laboratory and analyzed using the validated LC-QTOF-MS assay. In mid-2018, 200 blood extracts were analyzed, demonstrating a 19% positivity rate with > 94% agreement rate with original testing. In addition, three newly discovered synthetic cannabinoids were identified, including 5F-MDMB-PICA, 4-cyano CUMYL-BUTINACA and 5F-EDMB-PINACA. These synthetic cannabinoids were previously unreported in forensic toxicology casework in the United States. 5F-MDMB-PICA has become the most prevalent synthetic cannabinoid in United States, as of early 2019. These results demonstrate the effectiveness of this assay and workflow in the identification and characterization of synthetic cannabinoids, as well as the usefulness of sample-mining using non-targeted mass acquisition by LC-QTOF-MS for the discovery of NPS. High resolution mass spectrometry should be considered when developing new or novel assays for synthetic cannabinoids.
DOI: 10.1093/jat/bkz084
PubMed: 31909808
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Emerging Synthetic Cannabinoids: Development and Validation of a Novel Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Assay for Real-Time Detection.</title><author><name sortKey="Krotulski, Alex J" sort="Krotulski, Alex J" uniqKey="Krotulski A" first="Alex J" last="Krotulski">Alex J. Krotulski</name><affiliation><nlm:affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</nlm:affiliation></affiliation></author><author><name sortKey="Mohr, Amanda L A" sort="Mohr, Amanda L A" uniqKey="Mohr A" first="Amanda L A" last="Mohr">Amanda L A. Mohr</name><affiliation><nlm:affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</nlm:affiliation></affiliation></author><author><name sortKey="Logan, Barry K" sort="Logan, Barry K" uniqKey="Logan B" first="Barry K" last="Logan">Barry K. Logan</name><affiliation><nlm:affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</nlm:affiliation></affiliation><affiliation><nlm:affiliation>NMS Labs, 200 Welsh Rd, Horsham, PA, USA.</nlm:affiliation></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2020">2020</date><idno type="RBID">pubmed:31909808</idno><idno type="pmid">31909808</idno><idno type="doi">10.1093/jat/bkz084</idno><idno type="wicri:Area/Main/Corpus">000291</idno><idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Corpus" wicri:corpus="PubMed">000291</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Emerging Synthetic Cannabinoids: Development and Validation of a Novel Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Assay for Real-Time Detection.</title><author><name sortKey="Krotulski, Alex J" sort="Krotulski, Alex J" uniqKey="Krotulski A" first="Alex J" last="Krotulski">Alex J. Krotulski</name><affiliation><nlm:affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</nlm:affiliation></affiliation></author><author><name sortKey="Mohr, Amanda L A" sort="Mohr, Amanda L A" uniqKey="Mohr A" first="Amanda L A" last="Mohr">Amanda L A. Mohr</name><affiliation><nlm:affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</nlm:affiliation></affiliation></author><author><name sortKey="Logan, Barry K" sort="Logan, Barry K" uniqKey="Logan B" first="Barry K" last="Logan">Barry K. Logan</name><affiliation><nlm:affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</nlm:affiliation></affiliation><affiliation><nlm:affiliation>NMS Labs, 200 Welsh Rd, Horsham, PA, USA.</nlm:affiliation></affiliation></author></analytic><series><title level="j">Journal of analytical toxicology</title><idno type="eISSN">1945-2403</idno><imprint><date when="2020" type="published">2020</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Biological Assay (MeSH)</term><term>Cannabinoids (analysis)</term><term>Cannabinoids (chemistry)</term><term>Chromatography, Liquid (MeSH)</term><term>Forensic Toxicology (MeSH)</term><term>Gas Chromatography-Mass Spectrometry (MeSH)</term><term>Illicit Drugs (analysis)</term><term>Illicit Drugs (chemistry)</term><term>Indazoles (MeSH)</term><term>Mass Spectrometry (MeSH)</term><term>Synthetic Drugs (analysis)</term><term>Synthetic Drugs (chemistry)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="analysis" xml:lang="en"><term>Cannabinoids</term><term>Illicit Drugs</term><term>Synthetic Drugs</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Cannabinoids</term><term>Illicit Drugs</term><term>Synthetic Drugs</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Biological Assay</term><term>Chromatography, Liquid</term><term>Forensic Toxicology</term><term>Gas Chromatography-Mass Spectrometry</term><term>Indazoles</term><term>Mass Spectrometry</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Synthetic cannabinoids pose significant threats to public health and safety, as their implications in overdose and adverse events continue to arise in United States and around the world. Synthetic cannabinoids have seen several generations of chemically diverse structural elements, impacting potency and effects. These factors create new analytical challenges for forensic laboratories. This report describes an efficient liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) assay for the identification of synthetic cannabinoid parent compounds and metabolites, including real-time identification of emergent compounds, using a SCIEX TripleTOF® 5600+ with non-targeted SWATH® acquisition. Method validation evaluated precision/accuracy, limits of detection, interferences, processed sample stability and carryover, for which 19 parent compounds and 19 metabolites were tested. To demonstrate feasibility, de-identified blood sample extracts were acquired from a large forensic toxicology laboratory and analyzed using the validated LC-QTOF-MS assay. In mid-2018, 200 blood extracts were analyzed, demonstrating a 19% positivity rate with > 94% agreement rate with original testing. In addition, three newly discovered synthetic cannabinoids were identified, including 5F-MDMB-PICA, 4-cyano CUMYL-BUTINACA and 5F-EDMB-PINACA. These synthetic cannabinoids were previously unreported in forensic toxicology casework in the United States. 5F-MDMB-PICA has become the most prevalent synthetic cannabinoid in United States, as of early 2019. These results demonstrate the effectiveness of this assay and workflow in the identification and characterization of synthetic cannabinoids, as well as the usefulness of sample-mining using non-targeted mass acquisition by LC-QTOF-MS for the discovery of NPS. High resolution mass spectrometry should be considered when developing new or novel assays for synthetic cannabinoids.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">31909808</PMID><DateCompleted><Year>2020</Year><Month>05</Month><Day>20</Day></DateCompleted><DateRevised><Year>2020</Year><Month>05</Month><Day>20</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Electronic">1945-2403</ISSN><JournalIssue CitedMedium="Internet"><Volume>44</Volume><Issue>3</Issue><PubDate><Year>2020</Year><Month>Apr</Month><Day>30</Day></PubDate></JournalIssue><Title>Journal of analytical toxicology</Title><ISOAbbreviation>J Anal Toxicol</ISOAbbreviation></Journal><ArticleTitle>Emerging Synthetic Cannabinoids: Development and Validation of a Novel Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Assay for Real-Time Detection.</ArticleTitle><Pagination><MedlinePgn>207-217</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1093/jat/bkz084</ELocationID><Abstract><AbstractText>Synthetic cannabinoids pose significant threats to public health and safety, as their implications in overdose and adverse events continue to arise in United States and around the world. Synthetic cannabinoids have seen several generations of chemically diverse structural elements, impacting potency and effects. These factors create new analytical challenges for forensic laboratories. This report describes an efficient liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) assay for the identification of synthetic cannabinoid parent compounds and metabolites, including real-time identification of emergent compounds, using a SCIEX TripleTOF® 5600+ with non-targeted SWATH® acquisition. Method validation evaluated precision/accuracy, limits of detection, interferences, processed sample stability and carryover, for which 19 parent compounds and 19 metabolites were tested. To demonstrate feasibility, de-identified blood sample extracts were acquired from a large forensic toxicology laboratory and analyzed using the validated LC-QTOF-MS assay. In mid-2018, 200 blood extracts were analyzed, demonstrating a 19% positivity rate with > 94% agreement rate with original testing. In addition, three newly discovered synthetic cannabinoids were identified, including 5F-MDMB-PICA, 4-cyano CUMYL-BUTINACA and 5F-EDMB-PINACA. These synthetic cannabinoids were previously unreported in forensic toxicology casework in the United States. 5F-MDMB-PICA has become the most prevalent synthetic cannabinoid in United States, as of early 2019. These results demonstrate the effectiveness of this assay and workflow in the identification and characterization of synthetic cannabinoids, as well as the usefulness of sample-mining using non-targeted mass acquisition by LC-QTOF-MS for the discovery of NPS. High resolution mass spectrometry should be considered when developing new or novel assays for synthetic cannabinoids.</AbstractText><CopyrightInformation>© The Author(s) 2019. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.</CopyrightInformation></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Krotulski</LastName><ForeName>Alex J</ForeName><Initials>AJ</Initials><AffiliationInfo><Affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Mohr</LastName><ForeName>Amanda L A</ForeName><Initials>ALA</Initials><AffiliationInfo><Affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Logan</LastName><ForeName>Barry K</ForeName><Initials>BK</Initials><AffiliationInfo><Affiliation>Center for Forensic Science Research and Education (CFSRE), Fredric Rieders Family Foundation, 2300 Stratford Ave, Willow Grove, PA, USA.</Affiliation></AffiliationInfo><AffiliationInfo><Affiliation>NMS Labs, 200 Welsh Rd, Horsham, PA, USA.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>England</Country><MedlineTA>J Anal Toxicol</MedlineTA><NlmUniqueID>7705085</NlmUniqueID><ISSNLinking>0146-4760</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D002186">Cannabinoids</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D013287">Illicit Drugs</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D007191">Indazoles</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D000076742">Synthetic Drugs</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D001681" MajorTopicYN="N">Biological Assay</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D002186" MajorTopicYN="N">Cannabinoids</DescriptorName><QualifierName UI="Q000032" MajorTopicYN="Y">analysis</QualifierName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D002853" MajorTopicYN="N">Chromatography, Liquid</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D053593" MajorTopicYN="Y">Forensic Toxicology</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D008401" MajorTopicYN="N">Gas Chromatography-Mass Spectrometry</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013287" MajorTopicYN="N">Illicit Drugs</DescriptorName><QualifierName UI="Q000032" MajorTopicYN="Y">analysis</QualifierName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D007191" MajorTopicYN="N">Indazoles</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013058" MajorTopicYN="N">Mass Spectrometry</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D000076742" MajorTopicYN="N">Synthetic Drugs</DescriptorName><QualifierName UI="Q000032" MajorTopicYN="Y">analysis</QualifierName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2019</Year><Month>04</Month><Day>26</Day></PubMedPubDate><PubMedPubDate PubStatus="revised"><Year>2019</Year><Month>06</Month><Day>25</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2019</Year><Month>07</Month><Day>28</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2020</Year><Month>1</Month><Day>8</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2020</Year><Month>5</Month><Day>21</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2020</Year><Month>1</Month><Day>8</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">31909808</ArticleId><ArticleId IdType="pii">5623010</ArticleId><ArticleId IdType="doi">10.1093/jat/bkz084</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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