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

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.