目的 探究不同颜色怀菊花Chrysanthemum morifolium挥发性成分差异，为菊综合资源开发提供理论依据。方法 采用气相色谱-离子迁移谱（gas chromatography-ion mobility spectrometry，GC-IMS）对黄、白、紫3种颜色怀菊花的挥发性成分进行检测，结合气相色谱保留指数数据库（NIST 2020版）和IMS迁移时间数据库进行鉴定，运用VOCal 04.07数据处理软件，生成特征谱图以分析差异性成分，对GC-IMS检出的挥发性成分峰体积进行主成分分析（principal component analysis，PCA）与正交偏最小二乘判别分析（orthogonal projections to latent structures discriminant analysis，OPLS-DA），并以变量投影重要性（variable importance in projection，VIP）值＞1筛选不同颜色怀菊花的差异标志物。结果 GC-IMS共检测出95个信号峰，鉴定出59种化合物，包括酮类、萜烯类、醇类、酯类、有机酸类、醛类、杂环化合物、内酯类8类化合物。特征图谱显示，3种怀菊花样品挥发性成分种类较为一致，差异主要体现在相对含量上，黄菊样品中19种挥发性成分相对含量明显高于白菊及紫菊；白菊样品中12种挥发性成分相对含量明显高于黄菊和紫菊；紫菊样品中14种挥发性成分相对含量明显高于白菊和黄菊。PCA及OPLS-DA模型能准确地将3种颜色的怀菊花分辨开。以VIP值＞1筛选出25种差异标志物。结论 3种颜色怀菊花挥发性成分具有差异性，可为不同颜色怀菊花物质基础研究提供数据支持，为怀菊花综合资源开发提供理论依据，筛选出的特征挥发性化合物也可为开展三者药理药效对比研究提供一定的参考。

Objective To explore the differences in volatile components among Huai chrysanthemums (Chrysanthemum morifolium) of different colors, and to provide a theoretical basis for the comprehensive resource development of Huai chrysanthemums. Methods Gas chromatography-ion mobility spectrometry (GC-IMS) was used to detect volatile components in the three types of Huai chrysanthemums. Identification was performed by combining the gas chromatography retention index database (NIST 2020 version) with the IMS migration time database. The VOCal 04.07 data processing software was employed to generate characteristic spectrograms for analyzing differential components. Principal component analysis (PCA) and orthogonal projections to latent structures discriminant analysis (OPLS-DA) were conducted on the peak volumes of volatile components detected by GC-IMS. Marker compounds distinguishing the differently colored Huai chrysanthemums were screened using variable importance in projection (VIP) values > 1. Results A total of 95 signal peaks were detected by GC-IMS, with 59 compounds identified, including ketones, terpenes, alcohols, esters, organic acids, aldehydes, heterocyclic compounds, and lactones. Characteristic spectrograms showed that the types of volatile components in the three Huai chrysanthemum samples were relatively consistent, and the differences were mainly reflected in relative contents. The yellow Huai chrysanthemum showed significantly higher levels of 19 volatile components compared to the white and purple varieties. The white Huai chrysanthemum had significantly higher contents of 12 volatile components than the yellow and purple varieties. The purple Huai chrysanthemum exhibited significantly higher levels of 14 volatile components compared to the white and yellow varieties. Both PCA and OPLS-DA models could accurately distinguish the three color variants of Huai chrysanthemum. A total of 25 differential markers were screened with VIP > 1. Conclusion There are differences in the volatile components among the three colors of Huai chrysanthemums. The data of this study can provide data support for the research on the material basis of Huai chrysanthemums of different colors and a theoretical basis for the comprehensive resource development of Huai chrysanthemum. The screened characteristic volatile compounds can also provide a reference for the comparative study of their pharmacology and efficacy.

R284.1

河南省科技攻关项目(242102310552)