【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。更多还原

【Abstract】 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.更多还原