硫酸-甲醇衍生化-GC-MS指纹图谱在烟用料液质量控制中的应用  

Application of sulfuric acid-methanol derivatization-GC-MS fingerprint in quality control of tobacco casings

作　　者：汤晓东[1] 蒋佳磊[1] 苏燕[1] 陈晓水[1] 尹洁[1] 吴兆明[1] 洪梨梨 朱书秀[1] 许式强 许利平[1] TANG Xiaodong;JIANG Jialei;SU Yan;CHEN Xiaoshui;YIN Jie;WU Zhaoming;HONG Lili;ZHU Shuxiu;XU Shiqiang;XU Liping(Technology Center of China Tobacco Zhejiang Industrial Co.,Ltd.,Hangzhou 310024,China)

机构地区：[1]浙江中烟工业有限责任公司技术中心,杭州市310024

出　　处：《烟草科技》2023年第7期66-73,83,共9页Tobacco Science & Technology

基　　金：浙江中烟工业有限责任公司科技项目“烟用香精中非挥发性有机酸检测方法的建立及其应用研究”(ZJZY2021C007)。

摘　　要：为研究烟用料液的质量稳定性,建立了烟用料液的硫酸-甲醇衍生化-气相色谱-质谱指纹图谱,采用相关系数法和夹角余弦法计算不同批次样品、加热样品、掺兑样品和稀释样品与标准样品的相似度,同时基于13个批次样品的检测结果定义了相似度阈值,并将其作为烟用料液质量稳定性的评价依据。最后对比了该方法与传统理化指标及嗅香分析方法评价烟用料液质量的结果。结果表明:①不同批次的烟用料液样品指纹图谱稳定性好,相似度高。②基于熵权法对各指纹图谱共有峰加权计算的相似度结果对样品的区分度明显优于不加权的方法,且采用相关系数法优于夹角余弦法。③结合相似度计算结果和阈值,可以实现对合格烟用料液样品与加热样品、掺兑样品及稀释样品的区分,且掺兑和稀释比例越高,识别效果越好。④该方法对烟用料液质量稳定性的评价效果较理化指标和嗅香分析的方法更加灵敏,特别是对于一些变化不显著的样品。该方法能全面、准确监控烟用料液的质量,可为烟用料液质量稳定性评价研究提供技术支持和参考。To study the quality and stability of tobacco casings,the sulfuric acid-methanol derivatization fingerprints of tobacco casings were established based on gas chromatography-mass spectrometry.A correlation coefficient method and a cosine including angle method were used to calculate the similarity between the abnormal samples and the standard samples.The abnormal samples included different batch samples,heated samples,mixed samples and diluted samples.Based on the test results from 13 batches,the similarity threshold was defined and used as the basis for assessing the quality stability of tobacco casings.The results of this method were compared with those of traditional physical and chemical indices and olfactory methods.The results showed that:1)The fingerprints of tobacco casings from different batches had good stability and high similarity.2)The similarity calculated by weighting the common peaks of each fingerprint based on the entropy method was superior to the unweighted method,and the correlation coefficient method was superior to the cosine including angle method.3)Combined with the similarity calculation results and thresholds,the qualified tobacco casing samples and the abnormal samples,including heated samples,mixed samples and diluted samples,could be distinguished,especially at higher mixing and dilution ratios.4)This method was more sensitive to evaluate the quality and stability of tobacco casings than the methods of physical and chemical indices and olfactory analysis,especially for samples with minor differences.This method can comprehensively and accurately monitor the quality of tobacco casings,and provide technical support and reference for evaluating the quality stability of tobacco casings.

关 键 词：烟用料液 气相色谱-质谱 硫酸-甲醇衍生化 指纹图谱 质量控制 

分 类 号：TQ656.5[化学工程—精细化工]