Belal Tarek, Awad Tamer, DeRuiter Jack, Clark C Randall
Department of Pharmaceutical Analytical Chemistry, Faculty of Pharmacy, Alexandria University, Alexandria 21521, Egypt.
Forensic Sci Int. 2008 Jun 10;178(1):61-82. doi: 10.1016/j.forsciint.2008.02.002. Epub 2008 Mar 19.
A series of side chain regioisomers of 3-methoxy-4-methyl- and 4-methoxy-4-methyl-phenethylamines have mass spectra essentially equivalent to the controlled drug substance 3,4-methylenedioxymethamphetamine (3,4-MDMA), all have molecular weight of 193 and major fragment ions in their electron ionization mass spectra at m/z 58 and 135/136. The acetyl, propionyl and trifluoroacetyl derivatives of the primary and secondary regioisomeric amines were prepared and evaluated in GC-MS studies. The mass spectra for these derivatives were significantly individualized and the resulting unique fragment ions allowed for specific side chain identification. The trifluoroacetyl derivatives provided more fragment ions for molecular individualization among these regioisomeric substances. These trifluoroacetyl derivatives showed excellent resolution on a non-polar stationary phase such as Rtx-1.
一系列3-甲氧基-4-甲基和4-甲氧基-4-甲基苯乙胺的侧链区域异构体的质谱与管制药物3,4-亚甲基二氧甲基苯丙胺（3,4-MDMA）基本相同，它们的分子量均为193，在电子电离质谱中的主要碎片离子为m/z 58和135/136。制备了伯胺和仲胺区域异构体的乙酰基、丙酰基和三氟乙酰基衍生物，并在气相色谱-质谱联用研究中进行了评估。这些衍生物的质谱有显著的个体化特征，产生的独特碎片离子可用于特定侧链的鉴定。三氟乙酰基衍生物在这些区域异构体物质中提供了更多用于分子个体化的碎片离子。这些三氟乙酰基衍生物在非极性固定相（如Rtx-1）上显示出优异的分离度。
