Forensic Science Laboratory, ChemCentre, Building 500, Manning Rd., Bentley 6102, Western Australia, Australia; School of Biomedical, Biomolecular and Chemical Sciences, University of Western Australia, 35 Stirling Hwy, Crawley, Western Australia, Australia.
Forensic Sci Int. 2013 Dec 10;233(1-3):63-74. doi: 10.1016/j.forsciint.2013.08.007. Epub 2013 Sep 3.
A fast, highly specific and sensitive method for the detection of an extensive list of organic explosives and propellants using an optimised Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry (LC-QToF-MS) procedure has been developed. Analyte specific information including retention time, adduct accurate mass and fragmentation data was firstly collected using both positive and negative ion Atmospheric Pressure Chemical Ionisation (APCI) and entered into a Personal Compound Database/Library (PCDL). The custom PCDL can then be used to screen any sample for the presence of organic explosives and propellants, generating a match score for any identified compounds. To date over 50 organic explosives and propellants have been characterised and entered into the database representing those likely to be encountered in forensic and environmental samples and also a range of specialist explosives.
已开发出一种快速、高度特异和灵敏的方法，用于使用优化的液相色谱四极杆飞行时间质谱法 (LC-QToF-MS) 程序检测广泛的有机爆炸物和推进剂列表。使用正离子和负离子大气压化学电离 (APCI) 首先收集分析物特异性信息，包括保留时间、加合物精确质量和碎片数据，并将其输入个人化合物数据库/库 (PCDL)。然后可以使用自定义 PCDL 筛选任何样品中是否存在有机爆炸物和推进剂，并为任何识别出的化合物生成匹配分数。迄今为止，已经对 50 多种有机爆炸物和推进剂进行了表征，并将其输入数据库，这些物质代表了法医学和环境样品中可能遇到的物质，以及一系列专业爆炸物。
