摘要
利用二维气相色谱质谱数据,根据随机噪声和信号在质量色谱峰的不同性质,本文提出了基于局部平滑的化合物确认方法。除去色谱峰中的随机噪声后,可较为准确地得到该色谱峰所对应物质的分子离子或准分子离子的信息。由于强调了利用质谱分子离子或准分子离子的信息,本方法可显著地提高质谱定性分析的准确度。
In order to refine the resolved mass spectrum, especially determine the molecular weight of a resolved component from experimental GC/MS data, a novel method named local smoothing for component identification method was developing in this paper . The method was based on the assumption that the analytes can be distinguished from random noise by means of differences in the chromatographic peak width. We can acquired the information of the molecular ion or quasi - molecular ion about the analytes, these efficiently improved the qualitative results with GC/MS data.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2002年第4期459-461,共3页
Computers and Applied Chemistry
基金
国家自然科学基金(29875007)
