卷烟烟气GC/oa-TOF-MS分析的萃取溶剂选择与程序升温时间优化  

Selection of Solvent and Optimization of Programmed Heating Time for Analyzing Cigarette Smoke with GC/oa-TOF-MS

作　　者：李忠[1] 黄静[1] 梁逸曾[2,3] 张志敏[2,3] 郑宜报[2,3] 郭生云[1] 

机构地区：[1]云南烟草科学研究院 [2]中南大学化学化工学院 [3]长沙科硕仪器有限公司

出　　处：《烟草科技》2013年第5期31-35,共5页Tobacco Science & Technology

基　　金：云南中烟工业有限责任公司"烟用植物香料功能特性的HRMS表征研究"(2012JC03)

摘　　要：为确定GC/oa-TOF-MS分析卷烟烟气时最佳溶剂配比和程序升温时间,采用香农信息含量、基于连续小波的谱峰检测以及自适应迭代重加权基线校正等算法,分析和评价云南红河地区XA模块叶组、万宝路和红塔山的色谱数据。结果显示:①经不同溶剂萃取成分差异分析,结果与香农信息含量可相互印证,说明香农信息含量能准确表征色谱的信息量;②二氯甲烷∶甲醇=2∶1(体积比)混合萃取溶剂在峰面积和色谱谱图信息含量上均得到了较好的结果;③随着程序升温时间的变长,色谱峰间的分离度增大,香农信息含量显著提升,所包含组分信息更全面。构建的数据处理流程适用于烟气GC/oa-TOF-MS数据处理,香农信息含量和峰面积可选作萃取溶剂和程序升温时间优化的评价指标。In order to determine the optimum solvent and programmed heating time for analyzing cigarette smoke with GC/oa-TOF-MS method, Shannon information contents, wavelet peak detection and airPLS （adaptive iteratively reweighted Penalized Least Squares） baseline correction were adopted to analyze and evaluate the chromatogram data of tobacco module XA from Honghe in Yunnan and Marlboro and Hongtashan cigarette brands. The results indicated that： 1） Shannon information content and chromatogram information were representable each other, according to the results of differential analysis of different solvent systems; 2） Solvent composed of dichloromethane-methanol （2：1, V/V） obtained better results both in peak areas and in chromatogram information contents; 3） With the prolongation of programmed heating time, the separation degree between chromatographic peaks increased and Shannon information contents significantly improved, more information about components involved. Consequently, the established procedures for data processing was suitable for processing GC/oa-TOF-MS data of cigarette smoke, Shannon information contents as well as peak areas could be chosen as the evaluate index to determine the optimum solvent for extraction and programmed heating time.

关 键 词：气相色谱-正交加速飞行时间质谱 卷烟烟气 优化 化学计量学 

分 类 号：TS411.2[农业科学—烟草工业]