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基于“特征离子集”和化学计量学对防风和广藿香的分析

Analysis of Saposhnikoviae Radix and Libonotidis Radix Based on "Characteristic Ion Set" and Chemometrics.

作者信息

Wang Xianrui, He Fangliang, Wu Haonan, Jing Wenguang, Li Minghua, Guo Xiaohan, Cheng Xianlong, Wei Feng

机构信息

Institute for Control of Traditional Chinese Medicine and Ethnic Medicine, National Institutes for Food and Drug Control, Beijing, People's Republic of China.

State Key Laboratory of Drug Regulatory Science, National Institutes for Food and Drug Control, Beijing, People's Republic of China.

出版信息

J Mass Spectrom. 2025 Sep;60(9):e5164. doi: 10.1002/jms.5164.

DOI:10.1002/jms.5164
PMID:40794015
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12341653/
Abstract

To enrich detection methods of Saposhnikoviae Radix (SR) adulterated Libonotidis Radix (LR) and improve the screening efficiency, this paper conducted an analysis of SR and LR based on chemometrics and "characteristic ion set." Firstly, the samples were analyzed by liquid chromatography-mass spectrometer and converted into data matrix. After feature algorithm extraction, the "characteristic ion set" of SR and LR was obtained to match the test and blind market samples for feedback matching index (MI). In addition, the LR proprietary component was extracted to verify the MI analysis based on "characteristic ion set." Three percent LR adulteration was identified based on "characteristic ion set," and two market blind samples were identified as adulterated samples. Xanthalin was the LR proprietary component. Moreover, the analysis based on "characteristic ion set" is reliable through chemometric analysis and extraction of proprietary ions. "Characteristic ion set" and chemometrics can enrich the detection methods of SR and LR and improve the screening efficiency.

摘要

为丰富防风（SR）中掺杂防己（LR）的检测方法并提高筛选效率，本文基于化学计量学和“特征离子集”对防风和防己进行了分析。首先，采用液相色谱-质谱联用仪对样品进行分析并转化为数据矩阵。经特征算法提取后，得到防风和防己的“特征离子集”，用于对测试样品和市场盲样进行匹配，反馈匹配指数（MI）。此外，提取防己特有成分以基于“特征离子集”验证MI分析。基于“特征离子集”鉴定出3%的防己掺杂情况，并鉴定出两份市场盲样为掺假样品。黄嘌呤是防己特有成分。此外，通过化学计量学分析和特有离子提取，基于“特征离子集”的分析是可靠的。“特征离子集”和化学计量学可丰富防风和防己的检测方法并提高筛选效率。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/a12feb79dc44/JMS-60-e5164-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/c45f62d97791/JMS-60-e5164-g002.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/e784350a020b/JMS-60-e5164-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/2a1c13e4ac19/JMS-60-e5164-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/8e176ce71106/JMS-60-e5164-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/a12feb79dc44/JMS-60-e5164-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/c45f62d97791/JMS-60-e5164-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/1035e549c24c/JMS-60-e5164-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/5b55a2625a44/JMS-60-e5164-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/e784350a020b/JMS-60-e5164-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/2a1c13e4ac19/JMS-60-e5164-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/8e176ce71106/JMS-60-e5164-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b97/12341653/a12feb79dc44/JMS-60-e5164-g007.jpg

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