基于代谢组学方法的混合香精香料差异性物质鉴定与品质分析

Identification of Differential Components and Quality Analysis of Blended Flavors and Fragrances Based on Metabolomics Methods

使用气相色谱-质谱和代谢组学分析方法,研究了4种混合香精香料的多批次样本中的特征性和差异性物质,并对样本的品质一致性进行分析评价。从A、B、C、D 4种混合香精香料中分别鉴定出49、32、48、39种物质,其中乙酸乙酯、乙酰丙酸乙酯、异戊酸异戊酯、麦芽酚、二丙二醇、乙酸、4-氧代戊酸及5-羟甲基-2-呋喃甲醛8种物质是共有的主要风味组分。A与C型样本风味成分较为相似,果香与花香特征的酯类物质含量最为丰富,B型中具有酸香特征的酸类物质含量较高,D型中酮类致香物质最多。主成分分析与偏最小二乘判别分析能够识别混合香精香料中的特征性与差异性物质。根据变量投影重要性及统计结果筛选出的苹果酸二乙酯、反式-橙花叔醇、乙基麦芽酚等40种物质可用于4种香精香料的品质判断。不同类型样本的物质组成差异明显,同类型不同批次样本间特征物质的质量波动较小、品质一致性较好。

This study used gas chromatography-mass spectrometry and metabolomics-based analytical strategy to investigate the characteristic and differential compositions in four classes of blended flavors and fragrances.The consistency of multiple batches of each class was also evaluated in quality.Results showed that 49,32,48 and 39 compounds were individually identified from the four classes of blended samples,denoted A,B,C and D,respectively.Among them,eight compositions including ethyl acetate,pentanoic acid-4-oxo-ethyl ester,butanoic acid 3-methyl-3-methylbutyl ester,maltol,2-propanol-1,1'-oxybis-,acetic acid,4-oxo-pentanoic acid and 2-furancarboxaldehyde-5-(hydroxymethy)-were the main flavor substances in common.The flavor compositions of both Aclass and C-class samples were quite similar,with the most abundant content of ester compounds emitting fruity and floral aromas.The B-class samples were in rich acidic substances with sour aroma characteristics.In contrast,the D-class samples contained a largest number of ketone compounds responsible for aromatic attributes.The deployment of principal component analysis and partial least squares-discriminant analysis was able to discern the characteristic and differential compositions in the blended flavors and fragrances.The variable importance in the projection and statistical analysis screened a total of 40 substances,including diethyl malic acid,nerolidol,ethyl vanillin,and so on.They were used for the quality assessment of samples.Different classes of the blended flavors and fragrances had significant differences in compositions,while the samples of the same class but from different batches had good consistency in quality.