GC／MS检测信息的综合利用

从充分利用气相色谱／质谱（ＧＣ／ＭＳ）提供的信息来鉴定ＧＣ流出组分的目的出发，并以脂肪醇分析为例讨论了ＧＣ保留指数在ＭＳ谱图解析及ＭＳ鉴定结果的合理性检验方面的作用。总结了ＧＣ保留的同系物规律、极性规律、加和规律及异构物规律来指导ＭＳ谱图解析。提出了含氧化合物官能团相对于－ＣＨ２－质量数的保留指数附加贡献值辅助ＭＳ确定化合物的类别。同时采用了ＧＣ／ＭＳ中选择离子检测方法（ＳＩＭ）在分子离子峰受噪音干扰或太弱以至完全未观测到时来进一步佐证其相对分子质量。

Comprehensive Utilization of Informations from GC/MS

In the paper it is shown how the GC retention index(RI)was used to aid the interpretation of MS spectra and to examine whether identification results from MS library search were correct with an example of fatty alcohols analysis Retention index data were summed up as four rules which include the rules ofhomologues,polarity,isomers and RI additivity The rules were applied to retrieval of structural information By using the RI additivity rule,the extra contribution from a functional group was calculated by comparing the RI of unknown compounds with that of compuonds composed of -CH 2- with equivalent relative molecular mass This parameter is proposed to aid the MS interpretation to confirm the structural type of organic oxygenated compounds In addition,the relative molecular mass can be checked with SIM scan mode in case the molecular ion peak is too weak to be detected in MS spectra As the informations from GC/MS have been fully utilized in this way,the reliablity of the qualitative results will be much improved