高等学校化学学报

高等学校化学学报 ›› 2010, Vol. 31 ›› Issue (12): 2383.

• 研究论文 • 上一篇    下一篇

精确质量数在单四极杆质谱定性分析农药中的应用

李雪生1,2,李子昂1,王正全1,李卫健3,潘灿平1   

  1. 1. 中国农业大学理学院应用化学系, 北京 100193;
    2. 广西大学农药与环境毒理研究所, 南宁 530005;
    3. 北京绿绵科技有限公司, 北京 100193
  • 收稿日期:2010-04-07 修回日期:2010-10-09 出版日期:2010-12-10 发布日期:2010-12-06
  • 通讯作者: 潘灿平 E-mail:canpingp@cau.edu.cn
  • 作者简介:潘灿平, 男, 博士, 教授, 博士生导师, 主要从事农药残留与环境毒理学的研究. E-mail: canpingp@cau.edu.cn

Application of Accurate Mass and Elemental Composition Determination for Pesticides Identification Using a Unit Mass Resolution Gas Chromatography/Mass Spectrometry

  • Received:2010-04-07 Revised:2010-10-09 Online:2010-12-10 Published:2010-12-06
  • About author:潘灿平, 男, 博士, 教授, 博士生导师, 主要从事农药残留与环境毒理学的研究. E-mail: canpingp@cau.edu.cn

PDF (PC)

被引次数

12

摘要： 利用MassWorks软件对GC/MS采集的目标农药谱图经过校正后，实现了在单位分辨率质谱上测定6种农药化合物的精确质量数，质量误差小于20mDa；在精确质量数基础上，进一步采用同位素峰形校正检索技术(CLIPs), 实现了对目标农药分子式的准确识别，建立了在单位分辨率质谱上准确测定农药小分子化合物的方法，提升了单位分辨率质谱的定性能力。通过对丙草胺及哒螨灵二种农药的质谱碎片所获得的MassWorks精确质量数及元素组成推导其质谱碎裂机理， 通过对碎片的精确质量数测定可提高对目标物定性的准确性。

关键词: 精确质量数, 元素组成, MassWorks, 离子碎裂机理, 农药.

Abstract: On a unit mass resolution mass spectrometer, such as a single quadrupole MS, allowing for only rough mass confirmation for qualitative analysis. In this study, a novel mass spectral calibration technique, MSIntegnityTM implemented in MassWorksTM, is introduced to externally calibrated using a unique procedure that corrects for both mass axis and mass spectral peak shape to facilitate pesticides identi?cation with high mass accuracy, MS data were acquired in pro?le mode on a unit mass resolution single-quadrupole instrument, even at such a unit mass resolution on a true chromatographic time scale, will now enable the elemental composition determination of unknown ions or ion fragments using a conventional mass spectrometer. This identification capability is further enhanced by a uniquely accurate approach for elemental composition determination through the use of isotope distribution information, CLIPSTM.

Key words: Accurate mass, Elemental composition, MassWorks, Ion fragmentation mechanism, Pesticides.

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