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NCJRS Abstract

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  NCJ Number: NCJ 242039     Find in a Library
  Title: Comparative Analysis of the Chemical Profiles of 3,4-Methylenedioxymethamphetamine Based on Comprehensive Two-Dimensional Gas Chromatography–Time-of-Flight Mass Spectrometry (GC × GC-TOFMS)
  Document URL: HTML 
  Author(s): Marion Schaffer, M.Sc. ; Thomas Groger, M.Sc. ; Michael Putz, Dipl.-Chem ; Susanne Dieckmann, Dipl.-Chem ; Ralf Zimmermann, Ph.D.
  Journal: Journal of Forensic Sciences  Volume:57  Issue:5  Dated:September 2012  Pages:1181 to 1189
  Date Published: 09/2012
  Page Count: 9
  Annotation: The chemical profiling of illicit drugs is an important analytical tool to support the work of investigating and law enforcement authorities.
  Abstract: The chemical profiling of illicit drugs is an important analytical tool to support the work of investigating and law enforcement authorities. In this work, comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC × GC-TOFMS) combined with nontargeted, pixel-based data analysis was adapted for the chemical profiling of 3,4-methylenedioxymethamphetamine (MDMA). The validity and benefit of this approach was evaluated by analyzing a well-investigated set of MDMA samples. Samples were prepared according to a harmonized extraction protocol to ensure the comparability of the chemical signatures. The nontargeted approach comprises preprocessing followed by analysis of variances as a fast filter algorithm for selection of a variable subset followed by partial least squares discriminant analysis for reduction to promising marker compounds for discrimination of the samples according to their chemical profile. Forty-seven potential marker compounds were determined, covering most of the target impurities known from the harmonized one-dimensional profiling as well as other compounds not previously elucidated. Abstract published by arrangement with John Wiley & Sons.
  Main Term(s): Forensics/Forensic Sciences
  Index Term(s): Chromatography ; Illicit chemicals ; Drug analysis ; Mass spectroscopy ; Methamphetamine
  Type: Report (Technical)
  Country: United States of America
  Language: English
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