title: Forensic profiling of sassafras oils based on comprehensive two-dimensional gas chromatography.
abstract: Safrole, the main compound in the essential oil of several plants of the Laurel family (Lauraceae), and its secondary product piperonylmethylketone are the predominantly used precursors for the illicit synthesis of 3,4-methylenedioxymethamphetamine (MDMA) which is, in turn, the most common active ingredient in Ecstasy tablets. Analytical methods with adequate capacity to identify links and origin of precursors, such as safrole, provide valuable information for drug-related police intelligence. Authentic sassafras oil samples from police seizures were subjected to comparative analysis based on their chemical profiles obtained by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC × GC-TOFMS). The enhanced separation power and increased sensitivity of GC × GC allowed for the detection of minor compounds present in the essential oils which were of particular interest in case of very pure samples whose impurity profiles were not very pronounced. Discrimination of such samples was still possible even in the absence of characteristic main compounds.
authors.affiliation: Comprehensive Molecular Analytics, Helmholtz Zentrum München, German Research Center for Environmental Health, Ingolstädter Landstr. 1, 85764 Neuherberg, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Schäffer
authors.forename: T
authors.initials: T
authors.lastname: Gröger
authors.forename: M
authors.initials: M
authors.lastname: Pütz
authors.forename: R
authors.initials: R
authors.lastname: Zimmermann
mesh_terms: D000081248:Allylbenzene Derivatives; D001547:Benzaldehydes / Q000737:chemistry; D052117:Benzodioxoles / Q000737:chemistry; D001593:Benzyl Compounds / Q000737:chemistry; D000081005:Cyclohexane Monoterpenes; D004148:Dioxolanes / Q000737:chemistry; D005054:Eugenol / Q000031:analogs & derivatives / Q000737:chemistry; D053593:Forensic Toxicology; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D006213:Hallucinogens / Q000032:analysis; D013287:Illicit Drugs / Q000032:analysis; D015394:Molecular Structure; D039821:Monoterpenes / Q000737:chemistry; D018817:N-Methyl-3,4-methylenedioxyamphetamine / Q000032:analysis; D010636:Phenols / Q000737:chemistry; D010938:Plant Oils / Q000737:chemistry*; D011748:Pyrogallol / Q000031:analogs & derivatives / Q000737:chemistry; D012451:Safrole / Q000737:chemistry; D027441:Sassafras / Q000737:chemistry*
chemical_list: D000081248:Allylbenzene Derivatives; D001547:Benzaldehydes; D052117:Benzodioxoles; D001593:Benzyl Compounds; D000081005:Cyclohexane Monoterpenes; D004148:Dioxolanes; D006213:Hallucinogens; D013287:Illicit Drugs; D039821:Monoterpenes; D010636:Phenols; D010938:Plant Oils; D011748:Pyrogallol; C005246:myristicin; C496656:piperitone; C005223:methyleugenol; D005054:Eugenol; C077057:3-propylphenol; C005454:piperonal; D018817:N-Methyl-3,4-methylenedioxyamphetamine; D012451:Safrole; C015959:isosafrole