谱图准确度在DART-AccuTOF-MS质谱解析有机炸药TNT中的应用  

Application of spectral accuracy in DART-AccuTOF-MS mass spectrometry analysis of organic explosiveTNT

作　　者：刘占芳[1] 徐建中[1] 李斌 周红[1] 孙玉友[1] 李卫建 梅宏成[1] 

机构地区：[1]公安部物证鉴定中心,北京100038 [2]北京绿绵科技有限公司,北京100080

出　　处：《分析试验室》2013年第12期112-115,共4页Chinese Journal of Analysis Laboratory

摘　　要：在一台实时直接分析飞行时间(DART-TOFMS)联用质谱上对硝基化合物炸药TNT进行质谱解析。结果表明,即使在高质量精度的质谱上也不能获得化合物唯一的分子式。借助MassWorks的校正同位素峰型匹配的谱图准确度,改善了高分辨飞行时间质谱对目标化合物分子式识别的准确度,提高了定性的准确性,为高分辨质谱解析未知化合物提供了参考。This paper, with MS analysis for nitro-compound explosives in a real-time flying time （DART- TOFMS）-mass spectrum, indicates that even in a high-mass mass spectrometry with impeccable precision, there is no possibility to obtain the unique molecular formula of a compound. By virtue of the spectral accuracy in match with MassWorks isotope peak type, the identification accuracy of high-resolution flying-time MS for formula of target compound has been significantly improved, thus accordingly with more accurate determination of the chemical composition, which has provided reference for high-resolution MS analysis of unknown compounds.

关 键 词：TNT DART—TOFMS MassWorks同位素峰型 谱图准确度 质谱解析 

分 类 号：O657.63[理学—分析化学]