目的 获得远志Polygala Radix及其炮制品中挥发性有机物的特征及其变化规律。方法 采用顶空-气相色谱-离子迁移质谱（headspace-gas-chromatographyion-mobility spectrometry，HS-GC-IMS）测定远志根、远志筒、蜜远志、制远志的挥发性有机物，构建HS-GC-IMS指纹图谱，VOCal软件对检测到的成分进行定性和定量分析，运用主成分分析（application of principal component analysis，PCA）、偏最小二乘判别分析（partial least squares-discriminant analysis，PLS-DA）和聚类热图对样品进行识别和差异性分析。结果 基于HS-GC-IMS技术从远志及其炮制品中共获得了45种挥发性有机物，定性鉴别出41种；构建了远志及其炮制品的HS-GC-IMS指纹图谱，4组样品的指纹图谱整体轮廓类似，组内相对含量基本一致，但组间相对含量差异显著；聚类热图分析将4组样本聚为2类，远志根单独一类，远志筒、蜜远志和甘草炙远志聚为一类；PCA和PLS-DA可将远志根、远志筒、蜜远志、制远志明显区分开来，庚醛M、庚醛D等16个成分可作为品种识别和区分质量的关键因子。结论 HS-GC-IMS指纹图谱可用于识别与评价远志及其炮制品挥发性有机物的种类和差异，为远志饮片的质量评价及临床应用提供参考。

Objective To obtain the characteristics and changing patterns of volatile compounds in raw and processing Yuanzhi (Polygalae Radix). Methods Headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) was used for the determination of volatile compounds in Polygala Radix (PT), Polygala Cortex (PTT), honey-stir-baked Polygala Cortex (PTH), and liquorice-stir-boiled Polygala Cortex (PTG), and the HS-GC-IMS fingerprints were constructed. VOCal software was used to analyze qualitatively and quantitatively the detected constituents, and the samples were used for the identification and differentiation analyses with the application of principal component analysis (PCA), partial least squares-discriminant analysis (PLS-DA), and clustering heat maps. Results The HS-GC-IMS fingerprint of raw and processing Polygalae Radix was successfully constructed, a total of 45 volatile compounds were detected, and 41 volatile compounds were qualitatively identified. The fingerprints of the four groups were similar in overall profile, and the relative contents within the groups were close, but there were significant differences between the groups. Clustering heat map analysis clustered the samples into two clusters, PT alone, PTT, PTH, and PTG into one cluster. PCA and PLS-DA method results demonstrated obvious distinction between the PT, PTT, PTH, and PTG. Sixteen constituents, such as Heptanal M and Heptanal D could be used as key factors for variety identification and quality differentiation. Conclusion The HS-GC-IMS fingerprint can be used to identify and evaluate the types and differences of volatile organic compounds between raw and Polygalae Radix, which provides scientific basis for their quality evaluation and clinical application.

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国家自然科学基金资助项目（82003899）;陕西省科技厅社发攻关一般项目（2023-YBSF-036，2024SF-YBXM-45）;陕西省教育厅一般专项（22JK0279）;榆林市科技局项目（YF-2021-74）;榆林市“科学家＋工程师”队伍项目（YLKG-2023-17）;陕西中医药大学“秦药”品质评价及资源开发学科创新团队项目（2019-QN01）