在计算机辅助的质谱解析工作中,通过对分子峰区同位素蜂簇强度分布的理论计算,以预测未知谱所代表的分子组成、考察参考谱图质量,在匹配过程中对参考谱进行动态修正等方面,都有一定意义。但已发表的许多工作只考虑有机物中11种常见元 In the computer-aided mass spectrometry analysis, the molecular composition of the isotope hormones in the peak area of ​​the molecule is predicted to predict the molecular composition represented by the unknown spectrum, to examine the quality of the reference spectrum and to dynamically modify the reference spectrum during the matching process Aspects, have a certain meaning. However, many of the published work considered only 11 common elements in organic matter