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MASS-SPECTROMETRY-DATA PROCESSING METHOD AND MASS-SPECTROMETRY-DATA PROCESSING DEVICE
MASS-SPECTROMETRY-DATA PROCESSING METHOD AND MASS-SPECTROMETRY-DATA PROCESSING DEVICE
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机译:质谱学数据处理方法及质谱学数据处理装置
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摘要
In this mass-spectrometry-data processing method, in which a mass spectrometer capable of MSn analysis (n being an integer greater than or equal to 2) is used to perform MSn analysis on an analyte compound, reference-compound information that is prepared in advance for a plurality of reference compounds and associates each reference compound with a set of mass/charge ratios corresponding respectively to a plurality of mass peaks in the mass spectrum of said reference compound is presented to the operator, said operator selects one or more of the reference compounds, and the ions corresponding to the set(s) of mass/charge ratios associated with the selected reference compound(s) are all set as excluded ions. If the set of mass/charge ratios corresponding to the peaks in the MSk spectrum of the analyte compound does not include the sets of mass/charge ratios associated with the reference compounds, the aforementioned excluded ions are excluded from the mass peaks in the MSk spectrum and a precursor ion is selected.
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机译:在这种质谱数据处理方法中,使用能够进行MS n Sup>分析(n为2以上的整数)的质谱仪进行MS n 对分析物化合物进行分析,即为多种参考化合物预先准备的参考化合物信息,并将每种参考化合物与分别对应于所述质谱图中多个质量峰的一组质荷比相关联将参考化合物呈现给操作人员,所述操作人员选择一种或多种参考化合物,并且将与所选参考化合物相关的一组质荷比对应的离子全部设置为排除的离子。如果对应于分析物化合物MS k Sup>谱图中峰的一组质荷比不包括与参考化合物相关的一组质荷比,则排除上述排除的离子从MS k Sup>质谱图中的质量峰中选择一个前体离子。
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