气相色谱-质谱法定性定量分析烟叶挥发性香气成分

Qualititative and Quantitative Analysis of Volative Flavor Components in Tobacco Leaf by Gas Chromatography-Mass Spectrometry

本文研究了质谱去卷积算法在化合物结构定性中的作用。采用质谱去卷积和质谱库检索、色谱保留指数、标样定性等相结合的方法从烟叶样品中鉴定出118个挥发性香气成分,其中57个醛酮类化合物、23个醇类化合物、16个含氮类化合物、7个有机酸类化合物、15个其它化合物。采用定量离子进行定量,有效降低了重叠峰干扰,使色谱积分结果更为真实准确。对所鉴定的化合物进行重复性考察,结果表明有60.2%的化合物的相对标准偏差(RSD)小于20%,80.5%的化合物的RSD小于30%。线性响应考察结果表明有80个化合物的线性相关系数(R2)在0.90以上,适合于定性或定量分析。

Gas chromatography-mass spectrometry is a very important instrument for the qualtitative and quantitative analysis of volatile chemical compounds.In this work,mass deconvolution method was proved to be crucial for mass spectrum based chemical structure elucidation.One hundred and eighteen flavor components,including 57 carbonyl compounds,23 alcohols,16 nitrogenous compounds,7 organic acids,and 15 other compounds were elucidated from tobacco leaf using mass spectra deconvolution and identification,mass spectra database research,chromatography retention index and standards.Quantitation based on the quantitation ions which is unique in the co-eluted components increased the accuracy of peak integration.Repeatability investigation shows that 60.5% of the ensures elucidated compounds are with relative standard deviation（RSD）less than 20%.Results of linearity investigation show that 80 compounds have the correlation coefficient（R^2）larger than 0.9.The good R^2 of these components indicates good quantitation results.