醇醛缩合反应在烟用香精数字化辨香中的影响  

The Influence of Aldol Condensation on Tobacco Flavor Digitization Identification

作　　者：李燕春 陈汉清 卢红兵 张峻松[1] LI Yan - chun1＇2 ,CHEN Han - qing2 ,LU Hong - bing2, ZHANG Jun - song(1. College of Food and Bioengineering, Zhengzhou University of Light Henan, China; 2. Research and Development Center, China Tobacco Hunan 410007, Hunan, China)

机构地区：[1]郑州轻工业学院食品与生物工程学院,河南郑州450002 [2]湖南中烟工业有限责任公司技术研发中心,湖南长沙410007

出　　处：《香料香精化妆品》2017年第6期29-34,共6页Flavour Fragrance Cosmetics

基　　金：国家烟草专卖局2015年度科技重点项目"基于烟用香原料特性的数字化调香技术平台研究"(合同编号110201502005)

摘　　要：醇醛缩合反应是香精中常见的内在反应。常用质谱数据库收集的醇醛缩合反应物标准质谱图不足,会影响烟用香精数字化辨香及仿香工作。收集了43种常见醛类香料,分别用醇溶剂(1,2-丙二醇或乙醇)配制成溶液,室温条件下陈化6个月,之后进气相色谱-质谱联用仪分析,获得缩合反应产物的质谱图并据此构建质谱库补充商品质谱库,同时根据醛类香料分子结构归纳其反应物质谱裂解规律,并以色谱峰面积归一化法评估反应效果。结果表明:醇醛缩合产物质谱裂解规律与醛分子结构密切相关,同种醛类香料与1,2-丙二醇反应比与乙醇反应容易进行,多数脂肪醛较芳香醛更容易发生醇醛缩合反应,补充的质谱库给香精数字化辨香和仿香带来极大便利。The aldol condensation is a common internal reaction in flavor field.The standard mass spectrums of reactants of aldol condensation within common mass spectrometry database were insufficient,which would affect the results of digital identification and imitation for tobacco flavor.In this paper,43 kinds of aldehyde alcohol solution were prepared（with 1,2-propylene glycol and ethanol,respectively） at room temperature,deposited for six months and analyzed by GC-MS,their mass spectrum of condensation reaction products were obtained,then,they were constructed as supplemental mass spectrum library.At the same time,the spectrum fragmentation regularity of the formed products was summarized according to the molecular structure of the aldehydes and the response effects were evaluated by peak area normalization method.The results showed that the cleavage rule of mass spectrum of condensation product was closely related to the molecular structure of aldehyde.For the same kind of aldehyde,1,2-propylene glycol was easier to react with than ethanol.Comparing with aromatic aldehyde,most aliphatic aldehydes were more prone to conduct aldol reactions.This supplemental mass spectrometry library would provide great convenience for digital identification and imitation of tobacco flavor.

关 键 词：数字化辨香 醛类香料 醇醛缩合反应 气相色谱-质谱联用法 质谱库 

分 类 号：TQ657.4[化学工程—精细化工]