Department of Pharmacal Sciences, Harrison School of Pharmacy, Auburn University, Auburn, AL 36849, USA.
Forensic Sci Int. 2010 Feb 25;195(1-3):78-85. doi: 10.1016/j.forsciint.2009.11.016. Epub 2009 Dec 21.
The substituted benzylpiperazine, 3,4-methylenedioxybenzylpiperazine (3,4-MDBP) and its regioisomer 2,3-methylenedioxybenzylpiperazine (2,3-MDBP) have almost identical mass spectra. Perfluoroacylation of the secondary amine nitrogen of these regioisomeric piperazines gave mass spectra with differences in relative abundance of some fragment ions. However the spectra did not yield any unique fragments for specific identification of one regioisomer to the exclusion of the other compound. Gas chromatographic separation coupled with infrared detection (GC-IRD) provides direct confirmatory data for structural differentiation between the two regioisomers. The mass spectrum in combination with the vapor-phase infrared spectrum provides for specific confirmation of each of the regioisomeric piperazines. The underivatized and perfluoroacyl derivative forms of the ring substituted benzylpiperazines were resolved on a 30-m capillary column containing an Rxi-50 stationary phase.
取代的苄基哌嗪、3,4-亚甲二氧基苄基哌嗪（3,4-MDBP）及其区域异构体 2,3-亚甲二氧基苄基哌嗪（2,3-MDBP）具有几乎相同的质谱。这些区域异构体哌嗪的仲胺氮的全氟酰化给出了质谱，其中一些碎片离子的相对丰度存在差异。然而，这些光谱并没有产生任何独特的片段，无法特异性地鉴定一种区域异构体而排除另一种化合物。气相色谱分离与红外检测（GC-IRD）为两种区域异构体之间的结构差异提供了直接的确认数据。质谱与气相红外光谱相结合，可特异性确认每个区域异构体的哌嗪。未衍生和全氟酰基衍生物形式的环状取代苄基哌嗪在含有 Rxi-50 固定相的 30 米毛细管柱上得到了分离。
