南京中医药大学学报2025，Vol.41Issue(8)：998-1010,13.DOI:10.14148/j.issn.1672-0482.2025.0998
基于UPLC-Q-Exactive Orbitrap-MS/MS技术分析加味二妙方的活性成分与代谢产物
Analysis of Active Components and Metabolites of Modified Ermiao Decoction Based on UPLC-Q-Exactive Orbitrap-MS/MS Technology
摘要
Abstract
OBJECTIVE To conduct qualitative analysis of chemical constituents in the crude extract of Modified Ermiao Formu-la,along with its blood-absorbed components and metabolites in rats post-administration employing ultra-performance liquid chroma-tography coupled with quadrupole-exactive orbitrap tandem mass spectrometry(UPLC-Q-Exactive Orbitrap-MS/MS).METHODS Separation was performed on a Waters HSS T3 column(100 mm×2.1 mm,1.8 μm)using gradient elution with 0.1%formic acid in water(mobile phase A)and 0.1%formic acid in acetonitrile(mobile phase B),under controlled conditions:column temperature maintained at 40℃,flow rate set to 0.3 mL·min-1,and injection volume fixed at 2 μL.Mass spectrometric data acquisition utilized an electrospray ionization(ESI)source with scanning in both positive and negative ion modes.RESULTS By analyzing precise mo-lecular weights,retention times,and MS/MS fragmentation patterns,and cross-referencing these against established databases and published literature,173 chemical constituents were definitively identified in the Modified Ermiao Formula crude extract.These prima-rily comprised flavonoids,organic acids,and alkaloids.Additionally,32 prototype components and 13 metabolites were characterized in the serum of dosed rats.Organic acids constituted the predominant class of serum prototype components,undergoing in vivo metabo-lism principally through demethylation and carboxyl glucuronidation.CONCLUSION This study provides the initial delineation of blood-absorbed prototype components derived from Modified Ermiao Formula,with concomitant identification of their metabolites,thereby establishing a foundational framework for elucidating the pharmacologically active constituents of this formula.关键词
加味二妙方/UPLC-Q-Exactive Orbitrap-MS/MS/人乳头瘤病毒/入血成分Key words
Modified Ermiao Formula/UPLC-Q-Exactive Orbitrap-MS/MS/human papillomavirus/blood-absorbed components分类
医药卫生引用本文复制引用
葛娴,赵洪婷,陈利,张若熙,朱时纯,任青玲..基于UPLC-Q-Exactive Orbitrap-MS/MS技术分析加味二妙方的活性成分与代谢产物[J].南京中医药大学学报,2025,41(8):998-1010,13.基金项目
国家自然科学基金面上项目(82074478) （82074478）
江苏省中医药管理局中医临床医学创新中心研究项目(ZX202102) （ZX202102）
江苏省中医药领军人才培养项目(SLJ0307) （SLJ0307）
国家中医药管理局中医药循证能力提升项目(k2023BZ01) （k2023BZ01）
