GC/MS结合化学计量学用于复杂香精配方中香料成分的定性识别
Qualitative Recognition of Flavor Constituents in Complex Assemblage of Flavorings by GC/MS Combined with Chemometrics
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摘要: 在建立香精香料气相色谱-质谱指纹图谱数据库的基础上,采用移动窗口正交投影法,利用混配香精中每一簇峰的质谱信息,在单个香精二维数据的相应保留时间区域内进行投影计算,从而得到香精配方的香料组成。采用二氯甲烷超声提取香精挥发性成分,单个香料则采用二氯甲烷稀释后直接进样或超声提取的方法,统一GC/MS色谱分析条件,对6种烟用复杂香精中所含香料成分进行投影定性判别。结果表明:该方法对于复杂烟用香精样品能取得准确可靠的分析结果,提高了香精分析的准确性。该方法为复杂香精配方的进一步研究提供了理论基础。Abstract: Based on the established fingerprint spectrum database of gas chromatography/mass spectrometry of flavors, the mass spectral information of every peak cluster in the flavoring was projected onto the retention time regions of individual flavor' s two-dimensional data by moving window orthogonal projection (MWOP), then the flavor constituents in the flavoring were identified as a result of projective calculation. The volatile components in the flavoring were extracted with dichloromethane, and individual flavor could be introduced directly after dilution with dichloromethane, by unifying the GC/MS analytical conditions, the projective qualitative recognition of flavor constituents in complex assemblage of tobacco flavoring was conducted. The results showed that this method was accurate and reliable for the analysis of complex tobacco flavoring samples, and provided a theoretical basis for the further study of flavoring formulation.
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