气溶胶飞行时间质谱仪单颗粒质谱偏移问题及其纠正算法  

A New Algorithm to Correct the Particle-to-Particle Shift in Single-Particle Mass Spectrometry Analysis

作　　者：王新宁[1] 陈宏[1] 杨帆[1] 杨新[1] 

机构地区：[1]复旦大学环境科学与工程系,上海200433

出　　处：《质谱学报》2010年第3期179-186,共8页Journal of Chinese Mass Spectrometry Society

基　　金：国家自然科学基金(40875074)资助

摘　　要：在单颗粒气溶胶质谱分析中,不同颗粒质谱图之间发生质谱偏移,谱峰质量数难以准确测定的现象已经被多次观察到。这种现象的存在使得应用单一的校准参数校准质谱图时,产生质谱峰辨认的不确定性。不同颗粒质谱图之间最大的偏移取决于电离激光光斑的大小。当校准参数不准确时,某质谱峰偏离正确m/z值的大小与该质谱峰的质量数呈线性相关。从理论上证明了这种偏移产生于颗粒物在激光光斑内电离位置的不同。为解决单一校准参数带来的不可避免的误差,提出了一种可编程的算法来自动找出每个颗粒物质谱的最优校准参数,以实现单颗粒质谱图的准确的质量校准。In single-particle mass spectrometry analysis,particle-to-particle shift was observed during many ambient aerosol studies.Chemical information uncertainties would be introduced into data set during mass calibration of spectra if constant factors were used.The shifting scale of particle spectra was closely related to the vaporization/ionization laser spot size under typical ATOFMS operation conditions.A linear correlation between the mass deviation values and the actual m/z values was observed when spectrum was calibrated improperly.This paper details this problem from a theoretical point of view and proposes a new algorithm to calibrate every single particle＇s mass spectrum with the optimized parameters.

关 键 词：气溶胶飞行时间质谱(ATOFMS) 颗粒物质谱偏移 质谱校准 气溶胶 

分 类 号：O657.63[理学—分析化学]