张礼欣 于小聪 王泽琨 毛春琴 束雅春

中圖分类号 R282.5 文献标志码 A 文章编号 1001-0408（2021）18-2203-07

DOI 10.6039/j.issn.1001-0408.2021.18.05

摘 要 目的：建立基于气味信息的不同产地荆芥穗的鉴别方法。方法：采用Heracles Ⅱ型超快速气相电子鼻技术对不同产地荆芥穗进行气味鉴别，根据获取的图谱信息结合AroChemBase数据库、Kovates保留指数定性库进行定性分析;采用Alpha Soft V14.2软件进行主成分分析（PCA）、判别因子分析（DFA）;采用SPSS 22.2软件进行聚类分析（CA）。结果：15批不同产地荆芥穗中共有16个共有峰，经与AroChemBase数据库、Kovates保留指数定性库对比，共得到13个可能存在的成分。不同产地荆芥穗可能存在的成分及感官描述信息基本相同，仅含量存在差别。2号共有峰的色谱峰强度为安徽>甘肃>河南>河北>江苏;6号共有峰的色谱峰强度为安徽>河北>甘肃≈河南>江苏;9号共有峰的色谱峰强度为安徽>甘肃>河南>江苏>河北;13号共有峰的色谱峰强度为安徽≈甘肃>河北>江苏>河南，即代表甲酸甲酯（2号）、α-蒎烯（6号）、3-壬酮（9号）及α-松油醇（13号）这4种成分的色谱峰强度可因产地变化而存在较为显著的差异。 PCA结果显示，前2个主成分的累计贡献率为96.807%。DFA结果显示，判别因子1和判别因子2的贡献率分别为92.089%和3.982%。CA结果显示，当距离为10时，15批样品可聚为3类，B1～B5、J1～J3聚为一类，A1～A3聚为一类，G1、G2、N1、N2聚为一类，与 PCA、DFA结果基本一致。结论：超快速气相电子鼻技术可用于鉴别不同产地的荆芥穗;甲酸甲酯、α-蒎烯、3-壬酮及α-松油醇可能为区分不同产地荆芥穗的关键因素。

关键词 超快速气相电子鼻技术;荆芥穗;不同产地;化学计量学;气味鉴别

Identification of the Origin of Schizonepeta tenusfolia Based on “Odor” Information

ZHANG Lixin1，YU Xiaocong1，WANG Zekun1，MAO Chunqin2，SHU Yachun1，2（1. Dept. of Pharmacy， the Affiliated Hospital of Nanjing University of TCM， Nanjing 210029， China; 2. School of Pharmacy， Nanjing University of TCM， Nanjing 210023， China）

ABSTRACT   OBJECTIVE： To establish the method for identifying Schizonepeta tenusfolia from different habitats based on odor information. METHODS： The odor of S. tenusfolia from different habitats were identified by Heracles Ⅱ ultra-fast gas phase electronic nose. Qualitative analysis was conducted according to obtained chromatographic information combined with AroChemBase database and Kovats retention index qualitative database. Principle component analysis （PCA） and discriminant factor analysis （DFA） were conducted by using Alpha Soft V14.2 software， and cluster analysis （CA） was performed with SPSS 22.2 software. RESULTS： There were 16 common peaks in 15 batches of S. tenusfolia from different habitats. After comparison with AroChemBase database and Kovates retention index qualitative database， a total of 13 possible components were obtained. The possible components and sensory description information of S. tenusfolia from different habitats were basically the same， but only the content was different. The chromatographic peak intensities of common peak No. 2 were in descending order as Anhui > Gansu>Henan>Hebei>Jiangsu， the chromatographic peak intensities of common peak No. 6 were in descending order as Anhui>Hebei>Gansu≈Henan>Jiangsu， the chromatographic peak intensities of common peak No. 9 were in descending order as Anhui>Gansu>Henan>Jiangsu>Hebei， the chromatographic peak intensity of common peak No. 13 were in descending order as Anhui≈Gansu>Hebei>Jiangsu>Henan， which represented the chromatographic peak intensity of methyl formate （peak No. 2）， α-pinene （peak No. 6）， 3-nonone （peak No. 9） and α-terpineol （peak No. 13） were significantly different due to the change of habitats. PCA results showed that the cumulative contribution rate of the first two principal components was 96.807%. Results of DFA showed that contribution rates of discriminant factor 1 and discriminant factor 2 were 92.089% and 3.982%. CA results showed that when the distance was 10， 15 batches of samples could be clustered into 3 categories， B1-B5 and J1-J3 into one category， A1-A3 into one category， G1， G2， N1 and N2 into one category. The results were basically consistent with those of PCA and DFA. CONCLUSIONS： Ultra-fast gas phase electronic nose technology can be used to identify S. tenusfolia from different habitats rapidly. Methyl formate， α-pinene， 3-nonone and α-terpineol may be the key factors to distinguish S. tenusfolia from different habitats.

KEYWORDS   Ultra-fast gas phase electronic nose; Schizone- petae tenusfolia; Different habitats; Chemometrics; Odor identification

荆芥穗为唇形科植物荆芥Schizonepeta tenuifolia Briq.的干燥花穗，为临床常用解表药[1]。该药主产于我国江苏、河北、江西等地，其主要化学成分包括挥……