基于GC-QTOF-MS化学计量学技术研究不同路红花椒挥发性成分  

Study on Volatile Components of Zanthoxylum bungeanum Maxim.from Different Areas Based on GC-QTOF-MS Chemometric Technique

作　　者：王静雯 梁琪 钟慈平 马伟 黄瑶 杜钢 吴纯洁[1] WANG Jing-wen;LIANG Qi;ZHONG Ci-ping;MA Wei;HUANG Yao;DU Gang;WU Chun-jie(School of Pharmacy,Chengdu University of Traditional Chinese Medicine,Chengdu 611137,China;Sichuan Institute of Food Inspection,Chengdu 611731,China;Sichuan Jiahe Original Spice Co.,Ltd.,Chengdu 618323,China)

机构地区：[1]成都中医药大学药学院,成都611137 [2]四川省食品检验研究院,成都611731 [3]四川家和原味香料有限公司,成都618323

出　　处：《中国调味品》2025年第4期191-197,共7页China Condiment

基　　金：四川省中医药管理局2020年度花椒药用价值研发专项(2020HJZX001)。

摘　　要：目的:对不同产地的红花椒的挥发性成分进行分析。方法:采用GC-QTOF-MS结合化学计量学技术从挥发性成分构成和差异特征方面对我国13个不同产地的红花椒进行分析。结果:从13个产地的红花椒中共鉴定出75种挥发性成分,包括27种萜烯类、12种烷烃类、15种醇类、10种酯类、4种醛类、3种酮类和4种其他类挥发性成分。在所有花椒挥发性成分中,萜烯类和醇类物质种类最多,烷烃类和酯类物质种类次之,醛类、酮类和其他类物质种类较少。其中,D-柠檬烯是含量最多的化合物,乙酸芳樟酯与芳樟醇次之。基于GC-QTOF-MS数据,创建层次聚类分析(hierarchical clustering analysis,HCA)、主成分分析(principal component analysis,PCA)、偏最小二乘判别分析(partial least squares discriminant analysis,PLS-DA)模型,对不同产地花椒进行判别并确定关键性差异物质,化学计量学技术能够将13个产地的花椒分为三类,并且根据PLS-DA模型中的变量重要性投影(variable importance in projection,VIP)筛选出3种关键性差异物质,分别为γ-萜品醇、D-柠檬烯和芳樟醇。此外,利用箱线图比较各路花椒中共有化合物的含量差异,在9种共有挥发性成分中,南路花椒至少有2种化学成分的含量显著高于其他两路花椒,分别为D-柠檬烯和芳樟醇。西路花椒中γ-萜品醇和乙酸芳樟酯的含量明显高于其他两路花椒。其他路花椒中α-松油醇的相对含量高于南路花椒和西路花椒。结论:该研究对13个产地红花椒进行了区分,可将其划分为南路、西路、其他路3个主要区域,为进一步探究不同产地红花椒挥发性成分的差异奠定了基础,为红花椒的产地溯源鉴定提供了理论依据。Objective:to analyze the volatile components of Zanthoxylum bungeanum Maxim.from different places of origin.Method:GC-QTOF-MS combined with chemometric technique is used to analyze Zanthoxylum bungeanum Maxim.from 13 different places of origin in China in terms of the composition of volatile components and differential characteristics.Results:a total of 75 volatile components are identified in Zanthoxylum bungeanum Maxim.from 13 places of origin,mainly including 27 terpenes,12 alkanes,15 alcohols,10 esters,4 aldehydes,3 ketones and 4 other volatile components.Among all the volatile components of Zanthoxylum bungeanum Maxim.,the types of terpenes and alcohols are the most abundant,followed by alkanes and esters,and the types of aldehydes,ketones and other substances are relatively few.Among them,D-limonene is the compound with the highest content,followed by linalyl acetate and linalool.Based on GC-QTOF-MS data,hierarchical clustering analysis(HCA),principal component analysis(PCA)and partial least squares discriminant analysis(PLS-DA)models are created to discriminate Zanthoxylum bungeanum Maxim.from different places of origin and determine key differential substances.The chemometric technique could classify Zanthoxylum bungeanum Maxim.from 13 places of origin into three categories,and three key differential substances are screened out according to variable importance in projection(VIP)in PLS-DA model,which areγ-terpinol,D-limonene and linalool respectively.In addition,box-plot is used to compare the differences in the content of common compounds of Zanthoxylum bungeanum Maxim.from each area.It is found that among the nine common volatile components,the content of at least two chemical components in Zanthoxylum bungeanum Maxim.from the southern area is significantly higher than that of Zanthoxylum bungeanum Maxim.from the other two areas,which are D-limonene and linalool respectively.The content ofγ-terpineol and linalyl acetate in Zanthoxylum bungeanum Maxim.from the western area is significantly higher than t

关 键 词：红花椒 气相色谱-四极杆-飞行时间质谱 聚类分析 主成分分析 偏最小二乘判别分析 

分 类 号：TS264.3[轻工技术与工程—发酵工程]