一、前言在有机质谱分析中,混合物的直接注入分级蒸发分离效果很差,组分间的重叠现象通常严重存在(图1)。在这种情况下,若仅仅运用数学的手段进行重叠峰的分解很困难,甚至是不可行的。图1为西德煤炭所计算机输出的质量碎片图。为了进行混合物的谱图库检索,他们发展了将重叠峰进行分解的单一成分扣除法“APS”,即将某张谱图中的混合成分按照 I. INTRODUCTION In organic mass spectrometry, the direct injection of the mixture by fractional evaporation has a poor effect of separation and the overlap between the components is usually serious (Figure 1). In this case, it is difficult or even impossible to decompose overlapping peaks only using mathematical means. Figure 1 shows the quality of the computer output by the West German coal mine. In order to do a library search of mixtures, they developed a single-component subtraction “APS” that decomposes overlapping peaks by mixing the components of a spectrum