在用近代物理方法鉴定有机化合物结构的过程中,由质谱数据确定分子式具有很重要的意义。事实上,在确定可靠的分子式之前去着手研究有机分子的结构式,往往事倍功半。为确定分子式,首先要在质谱图中辨认出分子离子峰M~+,这并不是很容易的,因为有些分子的M~+强度很小或完全检测不到,或者只以 M+ H~+ 这种偶 In the process of identifying the structure of organic compounds by modern physical methods, determining the formula by mass spectrometry data is of great significance. In fact, it is often less effective to study the structure of organic molecules before establishing a reliable formula. To determine the molecular formula, we first identify the molecular ion peak M ~ + in the mass spectrum. This is not easy because the M ~ + intensity of some molecules is small or completely undetectable or only M + H ~ + Even kind