采用UPLC-ESI-MS/MS以及主成分聚类分析研究不同品种金银花的化学成分及其差异(英文)
Investigation on the chemical constituents and variation of the flower buds of Lonicera species by UPLC-ESI-MS/MS and principle component analysis
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摘要:
建立快速定性鉴别7个不同品种金银花药材中化学成分的UPLC-ESI-MS/MS方法。采用AcQuity UPLCTM BEH C18色谱柱,流动相采用乙腈和0.1%乙酸,梯度洗脱17 min, 检测到33个化学成分, 并且分离良好。其中6个咖啡酰奎尼酸类 (包括咖啡酸)、8个黄酮类以及8个环烯醚萜类化学成分的结构通过与标准品对照或根据其质谱裂解模式得到进一步确认。在此基础上采用主成分分析法对7个品种的金银花进行分类研究。以经对数转换的主要咖啡酰奎尼酸类 (包括咖啡酸) 的相对含量作为变量, 不同品种金银花药材得到了较好的分类。结果表明, 本方法适用于不同品种金银花的化学成分及其差异的研究并对其进行分类。
Abstract:A rapid ultra-performance liquid chromatography-electrospray ionization tandem mass spectrometric (UPLC-ESI-MS/MS) method is developed for the qualitative identification of constituents in the flower buds of seven Lonicera species. The optimal condition of separation and detection were achieved on an AcQuity UPLCTM BEH C18 column with a gradient elution with acetonitrile and 0.1% acetic acid within 17 min. Among the 33 constituents detected, 6 caffeoylquinic acids (including caffeic acid), 8 flavonoids and 8 iridoid glycosides were characterized based on their fragmentation patterns in collision-induced dissociation (CID) experiments and/or by comparison with standard compounds. In addition, to statistically establish the correlation and discrimination of the Lonicera species, principle component analysis (PCA) was applied in this study. Lonicera samples were divided into well-defined groups directly related to their species based on PCA in terms of the log transformed relative contents of the major caffeoylquinic acids (including caffeic acid) as the variables. All of results indicated that the method presented here is able to classify the sample species and to reveal characteristic details of the chemical constituents of different Lonicera species.
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