Chemical signature of ecstasy volatiles by comprehensive two-dimensional gas chromatography
Identifieur interne : 007128 ( Main/Merge ); précédent : 007127; suivant : 007129Chemical signature of ecstasy volatiles by comprehensive two-dimensional gas chromatography
Auteurs : Blagoj Mitrevski [Australie] ; Biljana Veleska [République de Macédoine (pays)] ; Erwan Engel [Australie, France] ; Paul Wynne [Australie] ; SHIN MIIN SONG [Singapour] ; Philip J. Marriott [Australie]Source :
- Forensic science international [ 0379-0738 ] ; 2011.
Descripteurs français
- Pascal (Inist)
- Wicri :
- topic : Médecine légale.
English descriptors
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Abstract
A method for ecstasy volatiles 'signature' analysis based on two-dimensional gas chromatography separation and time-of-flight mass spectrometry detection (GC x GC-TOFMS) is presented. Organic impurity volatiles were extracted by head space solid phase microextraction (HS-SPME). The final column phase choice of the four different column combinations tested was a low-polarity 5% phenyl polysilphenylene-siloxane coupled with a polyethylene glycol phase, which best displayed the complex impurity profile. Second dimension (2D) retention time reproducibility was found to be about 1 % RSD, and area reproducibility of SPME sampling was just over 5% RSD for compounds with S/N ratio of about 100. High similarity of TOFMS spectra of impurities was obtained against commercial MS libraries. 16 components from the two-dimensional profiles were selected for comparison of the 24 ecstasy tablets, most of which proved to be benzodioxole derived compounds. All tablets were correctly classified in eight groups according to their post-tabletting characteristics, when appropriate data pre-treatment was applied. Principal component analysis revealed clustering of samples according to the country of origin. Samples from Macedonia were elevated in N-formyl-MDMA and N-acetyl-MDMA while samples from Australia were elevated in 3,4-methylenedioxypropane and 3,4-methylenedioxyacetophenone. Furthermore, three components were found to be unique for one of the source countries. The additional separation of components on the 2D column, increased response due to modulation, high acquisition rate with full mass spectra using TOFMS detection, and MS deconvolution extend the possibility of detecting additional markers and route-specific components, especially of low abundant, polar components.
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Chemical signature of ecstasy volatiles by comprehensive two-dimensional gas chromatography</title><author><name sortKey="Mitrevski, Blagoj" sort="Mitrevski, Blagoj" uniqKey="Mitrevski B" first="Blagoj" last="Mitrevski">Blagoj Mitrevski</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Australian Centre for Research on Separation Science, RMIT University, GPO Box 2476V</s1><s2>Melbourne, Victoria 3001</s2><s3>AUS</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Melbourne, Victoria 3001</wicri:noRegion></affiliation></author><author><name sortKey="Veleska, Biljana" sort="Veleska, Biljana" uniqKey="Veleska B" first="Biljana" last="Veleska">Biljana Veleska</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Forensic Science Unit, Ministry of Internal Affairs, Dimce Mircev bb</s1><s2>1000 Skopje</s2><s3>MKD</s3><sZ>2 aut.</sZ></inist:fA14><country>République de Macédoine (pays)</country><wicri:noRegion>1000 Skopje</wicri:noRegion></affiliation></author><author><name sortKey="Engel, Erwan" sort="Engel, Erwan" uniqKey="Engel E" first="Erwan" last="Engel">Erwan Engel</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Australian Centre for Research on Separation Science, RMIT University, GPO Box 2476V</s1><s2>Melbourne, Victoria 3001</s2><s3>AUS</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Melbourne, Victoria 3001</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>INRA, UR370 QuaPA</s1><s2>63122 Saint-Genes-Champanelle</s2><s3>FRA</s3><sZ>3 aut.</sZ></inist:fA14><country>France</country><wicri:noRegion>63122 Saint-Genes-Champanelle</wicri:noRegion><wicri:noRegion>UR370 QuaPA</wicri:noRegion><wicri:noRegion>63122 Saint-Genes-Champanelle</wicri:noRegion></affiliation></author><author><name sortKey="Wynne, Paul" sort="Wynne, Paul" uniqKey="Wynne P" first="Paul" last="Wynne">Paul Wynne</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>SGE Analytical Science Ltd., 7 Argent Place</s1><s2>Ringwood, Victoria 3134</s2><s3>AUS</s3><sZ>4 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Ringwood, Victoria 3134</wicri:noRegion></affiliation></author><author><name sortKey="Shin Miin Song" sort="Shin Miin Song" uniqKey="Shin Miin Song" last="Shin Miin Song">SHIN MIIN SONG</name><affiliation wicri:level="1"><inist:fA14 i1="05"><s1>Institute of Microelectronics, Agency for Science, Technology and Research (A*STAR), 11 Science Park Road</s1><s2>Singapore 117685</s2><s3>SGP</s3><sZ>5 aut.</sZ></inist:fA14><country>Singapour</country><wicri:noRegion>Singapore 117685</wicri:noRegion></affiliation></author><author><name sortKey="Marriott, Philip J" sort="Marriott, Philip J" uniqKey="Marriott P" first="Philip J." last="Marriott">Philip J. 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Marriott</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Australian Centre for Research on Separation Science, RMIT University, GPO Box 2476V</s1><s2>Melbourne, Victoria 3001</s2><s3>AUS</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Melbourne, Victoria 3001</wicri:noRegion></affiliation></author></analytic><series><title level="j" type="main">Forensic science international</title><title level="j" type="abbreviated">Forensic sci. int.</title><idno type="ISSN">0379-0738</idno><imprint><date when="2011">2011</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Forensic science international</title><title level="j" type="abbreviated">Forensic sci. int.</title><idno type="ISSN">0379-0738</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Criminalistics</term><term>Drug of abuse</term><term>Forensic aspect</term><term>Forensic science</term><term>Gas chromatography</term><term>Impurity</term><term>Legal medicine</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Amphétamine(N-méthyl-3,4-méthylènedioxy)</term><term>Substance toxicomanogène</term><term>Impureté</term><term>Chromatographie phase gazeuse</term><term>Criminalistique</term><term>Médecine légale</term><term>Aspect médicolégal</term><term>Police scientifique</term><term>Ecstasy</term><term>Profilage criminel</term></keywords><keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Médecine légale</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">A method for ecstasy volatiles 'signature' analysis based on two-dimensional gas chromatography separation and time-of-flight mass spectrometry detection (GC x GC-TOFMS) is presented. Organic impurity volatiles were extracted by head space solid phase microextraction (HS-SPME). The final column phase choice of the four different column combinations tested was a low-polarity 5% phenyl polysilphenylene-siloxane coupled with a polyethylene glycol phase, which best displayed the complex impurity profile. Second dimension (<sup>2</sup>D) retention time reproducibility was found to be about 1 % RSD, and area reproducibility of SPME sampling was just over 5% RSD for compounds with S/N ratio of about 100. High similarity of TOFMS spectra of impurities was obtained against commercial MS libraries. 16 components from the two-dimensional profiles were selected for comparison of the 24 ecstasy tablets, most of which proved to be benzodioxole derived compounds. All tablets were correctly classified in eight groups according to their post-tabletting characteristics, when appropriate data pre-treatment was applied. Principal component analysis revealed clustering of samples according to the country of origin. Samples from Macedonia were elevated in N-formyl-MDMA and N-acetyl-MDMA while samples from Australia were elevated in 3,4-methylenedioxypropane and 3,4-methylenedioxyacetophenone. Furthermore, three components were found to be unique for one of the source countries. The additional separation of components on the <sup>2</sup>D column, increased response due to modulation, high acquisition rate with full mass spectra using TOFMS detection, and MS deconvolution extend the possibility of detecting additional markers and route-specific components, especially of low abundant, polar components.</div></front></TEI><affiliations><list><country><li>Australie</li><li>France</li><li>République de Macédoine (pays)</li><li>Singapour</li></country></list><tree><country name="Australie"><noRegion><name sortKey="Mitrevski, Blagoj" sort="Mitrevski, Blagoj" uniqKey="Mitrevski B" first="Blagoj" last="Mitrevski">Blagoj Mitrevski</name></noRegion><name sortKey="Engel, Erwan" sort="Engel, Erwan" uniqKey="Engel E" first="Erwan" last="Engel">Erwan Engel</name><name sortKey="Marriott, Philip J" sort="Marriott, Philip J" uniqKey="Marriott P" first="Philip J." last="Marriott">Philip J. Marriott</name><name sortKey="Wynne, Paul" sort="Wynne, Paul" uniqKey="Wynne P" first="Paul" last="Wynne">Paul Wynne</name></country><country name="République de Macédoine (pays)"><noRegion><name sortKey="Veleska, Biljana" sort="Veleska, Biljana" uniqKey="Veleska B" first="Biljana" last="Veleska">Biljana Veleska</name></noRegion></country><country name="France"><noRegion><name sortKey="Engel, Erwan" sort="Engel, Erwan" uniqKey="Engel E" first="Erwan" last="Engel">Erwan Engel</name></noRegion></country><country name="Singapour"><noRegion><name sortKey="Shin Miin Song" sort="Shin Miin Song" uniqKey="Shin Miin Song" last="Shin Miin Song">SHIN MIIN SONG</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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