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举世公认,GC/MS/COMPUTER联用技术是对微量多组分复杂有机混合物进行快速分析的最佳方法。方法成败的关键在于能否快速、正确地解释所获得的质谱数据。本文概述了用于有机质谱解释的基本计算机方法:谱图检索、图象识别和人功智能技术的原理和成就。同时讨论了方法的优缺点。最后简短地列表总结了几个适用系统的基本特征。
It is universally acknowledged that GC / MS / COMPUTER technology is the best method for rapid analysis of trace multi-component complex organic mixtures. The key to the success or failure of a method is the ability to interpret the acquired mass spectrometry data quickly and correctly. This article outlines the basic computer approaches used for interpretation of organic mass spectrometry: the principles and achievements of spectrum search, image recognition, and human intelligence techniques. The advantages and disadvantages of the method are also discussed. Finally, a short list summarizes the basic features of several applicable systems.