摘要
本文提出了分段式离子系列谱编码方法,实验证明具有很好的结构表征能力。本程序主要是以模式识别技术为基础,实现了对未知物谱图的KNN分类,进而得到未知物的主要结构特征。这个程序应用于有机化合物的分类,取得了满意的结果。
A Segmented ion series spectral encoding method has been first proposed in this work andthe present series of experiments have shown that the structure feature of a compound can bebetter characterized by this method. The main point of this program is based on pattern recog-nition techniques, the chief structure feature of an unknown can be obtained from the KNN clas-sification results. Very satisfied results have been given by this program when it is used to theclassification of organic compounds.
关键词
质谱
模式识别
甾族化合物
Mass spectrometry
Pattern recognition
Steroids
