介绍了ASES/MS智能质谱结构解析系统与HP5971 MS ChemStation的软件接口.由于使用了高质量的质谱数据和独特的解析算法,ASES/MS系统具有非常好的结构鉴定性能.经过对HP5971 MS ChemStation原始数据文件格式的分析,成功地建立了ASES/MS...介绍了ASES/MS智能质谱结构解析系统与HP5971 MS ChemStation的软件接口.由于使用了高质量的质谱数据和独特的解析算法,ASES/MS系统具有非常好的结构鉴定性能.经过对HP5971 MS ChemStation原始数据文件格式的分析,成功地建立了ASES/MS系统与HP5971 MS ChemStation之间的接口软件,实现了两者间的直接联机使用.展开更多
It is very important to predict the molecular weight of a compound from its EI massspectrum, because molecular weight is one of the most important information for its struc-ture determination. The program for molecula...It is very important to predict the molecular weight of a compound from its EI massspectrum, because molecular weight is one of the most important information for its struc-ture determination. The program for molecular weight prediction is always an importantpart in a structure elucidation system. One cannot directly get the molecular weight fromEI mass spectra in the case of no molecular ions for many compounds, but it is possible tobe predicted in terms of the fragmentation rules. A program for this purpose is展开更多
文摘介绍了ASES/MS智能质谱结构解析系统与HP5971 MS ChemStation的软件接口.由于使用了高质量的质谱数据和独特的解析算法,ASES/MS系统具有非常好的结构鉴定性能.经过对HP5971 MS ChemStation原始数据文件格式的分析,成功地建立了ASES/MS系统与HP5971 MS ChemStation之间的接口软件,实现了两者间的直接联机使用.
基金Project supported by the National Natural Science Foundation of China.
文摘It is very important to predict the molecular weight of a compound from its EI massspectrum, because molecular weight is one of the most important information for its struc-ture determination. The program for molecular weight prediction is always an importantpart in a structure elucidation system. One cannot directly get the molecular weight fromEI mass spectra in the case of no molecular ions for many compounds, but it is possible tobe predicted in terms of the fragmentation rules. A program for this purpose is
