| 精确质量数在单四极杆质谱定性分析农药中的应用 |
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| 引用本文： | 李雪生,李子昂,王正全,李卫健,潘灿平.精确质量数在单四极杆质谱定性分析农药中的应用[J].高等学校化学学报,2010,31(12):2383-2389. |
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| 作者姓名： | 李雪生 李子昂 王正全 李卫健 潘灿平 |
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| 作者单位： | 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 |
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| 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。
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| 关 键 词： | 精确质量数 元素组成 MassWorks 离子碎裂机理 农药. |
| 收稿时间： | 2010-04-07 |
Application of Accurate Mass and Elemental Composition Determination for Pesticides Identification Using a Unit Mass Resolution Gas Chromatography/Mass Spectrometry |
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| LI Xue-Sheng,LI Zi-Ang,WANG Zheng-Quan,LI Wei-Jian,PAN Can-Ping.Application of Accurate Mass and Elemental Composition Determination for Pesticides Identification Using a Unit Mass Resolution Gas Chromatography/Mass Spectrometry[J].Chemical Research In Chinese Universities,2010,31(12):2383-2389. |
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| Authors: | LI Xue-Sheng LI Zi-Ang WANG Zheng-Quan LI Wei-Jian PAN Can-Ping |
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| Institution: | LI Xue-Sheng1,2,LI Zi-Ang1,WANG Zheng-Quan1,LI Wei-Jian3,PAN Can-Ping1(1.Department of Applied Chemistry,College of Science,China Agricultural University,Beijing 100193,China,2.Institute of Pesticide & Environmental Toxicology,Guangxi University,Nanning 530005,3.Lumiere Tech.Ltd.,Beijing 100080,China) |
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| 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 identification with high mass accuracy,MS data were acquired in profile mode on a unit mass resolution single-quadrupole... |
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| Keywords: | Accurate mass Elemental composition MassWorks software Ion fragmentation mechanism Pesticide |
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