[1]张雅莉,韩建勋,孙兆增,等.基于UPLC-Q-TOF-MS指纹图谱技术的苦杏仁药材质量评价[J].西部中医药,2025,38(10):1-6.[doi:10.12174/j.issn.2096-9600.2025.10.01]
　ZHANG Yali,HAN Jianxun,SUN Zhaozeng,et al.Research on Quality Evaluation of Kuxingren Based on UPLC-Q-TOF-MS Fingerprint[J].Western Journal of Traditional Chinese Medicine,2025,38(10):1-6.[doi:10.12174/j.issn.2096-9600.2025.10.01]
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基于UPLC-Q-TOF-MS指纹图谱技术的苦杏仁药材质量评价()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年10期
页码:
1-6
栏目:
质量分析
出版日期:
2025-10-15

文章信息/Info

Title:
Research on Quality Evaluation of Kuxingren Based on UPLC-Q-TOF-MS Fingerprint
作者:
张雅莉1, 韩建勋1,2, 孙兆增1, 肖进进1, 杨柏崇1, 富玉1, 杨扬2, 付萌2
1.谱尼测试集团股份有限公司，北京 100095
2.谱尼测试集团北京检验认证科学研究院有限公司，北京 100095
Author(s):
ZHANG Yali1, HAN Jianxun1,2, SUN Zhaozeng1, XIAO Jinjin1, YANG Baichong1, FU Yu1, YANG Yang2, FU Meng2
1.Pony Testing International Group Co.Ltd., Beijing 100095, China
2.Pony Testing International Group Beijing Academy of Inspection and Certification Co.Ltd., Beijing 100095, China
关键词:
苦杏仁; 超高效液相色谱-四极杆飞行时间串联质谱; 指纹图谱; 聚类分析; 质量评价
Keywords:
UPLC-Q-TOF-MS; fingerprint; cluster analysis; quality evaluation
分类号:
R282.5
DOI:
10.12174/j.issn.2096-9600.2025.10.01
文献标志码:
A
摘要:
目的基于超高效液相色谱-四极杆飞行时间串联质谱（ultra performance liquid chromatography-quadrupole-time of flight-mass spectrometry，UPLC-Q-TOF-MS）技术建立苦杏仁药材的指纹图谱，鉴定其主要共有峰，并结合聚类分析和主成分分析（principal component analysis，PCA）等模式识别方法评价不同产地苦杏仁药材质量。 方法采用“中药色谱指纹图谱相似度评价系统（2012版）”建立17批次不同产地苦杏仁药材的UPLC-Q-TOF-MS指纹图谱并进行相似度评价；使用UNIFI软件对主要共有峰进行鉴定，并使用IBM SPSS Statistics 21.0和EZInfo 3.0软件进行聚类分析和PCA分析。 结果在37 min内建立了苦杏仁药材的UPLC-Q-TOF-MS指纹图谱，17批次不同产地的苦杏仁样品相似度较高，且相似度均＞0.9；聚类分析和PCA分析结果基本一致，结合PCA筛选出8个差异较大的化合物，并鉴定出其中2个化合物，分别为苦杏仁苷和野樱苷；以不同产地苦杏仁样品中苦杏仁苷和野樱苷的相对质量分数作为指标进行质量评价，其中安徽产地的苦杏仁样品质量较高。 结论UPLC-Q-TOF-MS所得图谱重现性和特征性较好，可以用于苦杏仁指纹图谱的快速鉴别，结合聚类分析和PCA分析等模式识别方法可以较全面地反映不同产地苦杏仁药材化学成分的差异，为其质量控制提供科学依据。
Abstract:
ObjectiveTo evaluate the quality of Kuxingren (Armeniacae semen amarum) from different places of production through establishing its fingerprint based on UPLC-Q-TOF-MS, identifying the main common peaks, in combination with pattern recognition methods including cluster analysis, and PCA. Methods"Similarity evaluation system for chromatographic fingerprint of TCM (version 2012)" was applied to establish UPLC-Q-TOF-MS fingerprints of 17 batches of Kuxingren from different places of origin, and to perform the similarity evaluation; UNIFI software was utilized to identify the main common peaks, IBM SPSS Statistics 21.0 and EZInfo 3.0 software were used to carry out cluster analysis and PCA. ResultsUPLC-Q-TOF-MS fingerprints of Kuxingren were established within 37 min, and the samples of 17 batches of Kuxingren from different places of origin presented higher similarity, and the similarity is all >0.9; the results of cluster analysis and PCA showed substantial consistency, PCA selected eight compounds that showed significant differences, and we identified two of them as amygdalin and prunasin; quality evaluation was performed by taking the relative mass fraction of amygdalin and prunasin in Kuxingren from different places of production as the indexes, and the samples from Anhui were of high quality. ConclusionThe UPLC-Q-TOF-MS spectrum demonstrating good reproducibility and specificity, could be used for rapid identification of fingerprint of Kuxingren, and its combination with pattern recognition method could generally reflect the differences in the chemical composition of Kuxingren from different places of origin, which could provide scientific basis for its quality control.

相似文献/References:

[1]徐博,吴翠,李卓俊,等.苦杏仁采后的现状调研和质控建议[J].西部中医药,2023,36(10):45.[doi:10.12174/j.issn.2096-9600.2023.10.09]
　XU Bo,WU Cui,LI Zhuojun,et al.Current Status Investigation and Quality Control Recommendations for Kuxingren After Harvest[J].Western Journal of Traditional Chinese Medicine,2023,36(10):45.[doi:10.12174/j.issn.2096-9600.2023.10.09]

备注/Memo

备注/Memo:
张雅莉（1993—），女，硕士学位，工程师。研究方向：药品分析与检测研究。北京市“科技助力经济2020”重点专项（SQ2020YFF0414333）；苏州市新型冠状病毒感染应急防治专项（XG56）。
更新日期/Last Update: 2025-10-15