谱图准确度在高分辨飞行时间质谱分析硝铵类有机炸药RDX中的应用
Application of Spectral Accuracy to Analysis of Organic Explosive RDX by HR-TOFMS
摘 要
应用实时直接分析-高分辨飞行时间质谱(DART-HR-TOFMS)对硝胺类有机炸药黑索金(RDX)及其爆炸残留物进行精确质量质谱分析,借助MassWorks质谱解析软件对质谱数据进行了噪音过滤及峰形校正处理,获得了炸药准确的同位素分布模式,然后通过实际同位素分布模式的校正峰形与理论峰形匹配的谱图准确度对待选的分子式进行排序,实现了RDX的准确识别和鉴定。
谱图准确度
黑索金
同位素峰形
DART-HR-TOFMS
Spectral accuracy
RDX
Isotope peak shape
Abstract
DART-HR-TOFMS was used for accurate mass MS analysis of organic explosives RDX and its explosive remnants. Accurate isotopic distribution patterns of the explosives were obtained by using the analysis software of MassWorks for noise filtering and peak shape correction of the mass spectrometry data.The spectral accuracy obtained by matching the theoretical peak shape and the corrected peak shape of the actual isotope distribution patterns was used for reordering the selected formulas to achieve accurate identification and characterization of RDX explosives.
中图分类号 O657.63
所属栏目 工作简报
基金项目 十二五国家科技支撑项目(2012BAK02B04-3)
收稿日期 2014/4/8
修改稿日期
网络出版日期
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备注刘占芳(1977-),女,天津人,副研究员,博士,从事物证检验鉴定工作。
引用该论文: LIU Zhan-fang,SUN Yu-you,ZHOU Hong,WU Zheng-jianan,LI Bin,XU Jian-zhong,QIAO Ting. Application of Spectral Accuracy to Analysis of Organic Explosive RDX by HR-TOFMS[J]. Physical Testing and Chemical Analysis part B:Chemical Analysis, 2015, 51(4): 466～469
刘占芳,孙玉友,周红,吴郑家男,李斌,徐建中,乔婷. 谱图准确度在高分辨飞行时间质谱分析硝铵类有机炸药RDX中的应用[J]. 理化检验－化学分册, 2015, 51(4): 466～469
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参考文献
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【5】ERVE J C L, GU Ming, WANG Yong-dong, et al. Spectral accuracy of molecular ions in an LTQ/orbitrap mass spectrometer and implications for elemental composition determination［J］. American Society for Mass Spectrometry, 2009,20:2058-2069.
【6】ZHOU Wei, ZHANG Ya-heng, XU Hong-liang, et al. Determination of elemental composition of volatile organic compounds from Chinese rose oil by spectral accuracy and mass accuracy［J］. Rapid Commun Mass Spectrom, 2011,25:3097-3102.
【7】WANG Yong-dong, GU Ming. The concept of spectral accuracy for MS［J］. Anal Chem, 2010,82:7055-7062.
【8】SONG L G, GIBSON S C, BHANDARI D, et al. Ionization mechanism of positive-ion direct analysis in real time: a transient microenvironment concept［J］. Anal Chem, 2009,81(24):10080-10088.
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