基于UHPLC-LTQ-Orbitrap-MS技术的清肺排毒汤化学成分鉴定及归属研究

Identification and attribution of chemical constituents of Qingfei Paidu Decoction based on UHPLC-LTQ-Orbitrap-MS technology

应用UHPLC-LTQ-Orbitrap-MS技术分析清肺排毒汤中的化学成分,明确其物质基础。采用ACQUITY UPLC HSS T3 (2.1 mm×100 mm,1.8μm)色谱柱和0.1%甲酸水溶液(B)-乙腈(A)流动相系统进行梯度洗脱;应用高分辨液质联用,质谱正负离子扫描模式,分析鉴定清肺排毒汤化学成分。根据精确相对分子质量数据和多级质谱碎片离子,结合对照品比对和文献报道,共从清肺排毒汤中分析鉴定了87个主要化学成分,包括43个黄酮、9个生物碱、4个三萜皂苷、1个倍半萜、2个香豆素、10个有机酸和18个其他类化合物。应用UHPLC-LTQ-Orbitrap-MS高分辨液质联用技术,较为全面地阐明了清肺排毒汤中的化学成分,基本涵盖了清肺排毒汤中除石膏外的20味中药,为进一步建立清肺排毒汤的质量控制标准提供了科学依据。

UHPLC-LTQ-Orbitrap-MS was developed for the identification of chemical constituents in Qingfei Paidu Decoction,which will clarify its material basis.ACQUITY UHPLC HSS T3 chromatography column(2.1 mm×100 mm,1.8μm)was used with 0.1%formic acid(B)-acetonitrile(A)as the mobile phase in gradient elution.The decoction was detected by high-resolution liquid chromatography-mass spectrometry equipped with an ESI ion source in positive and negative mode.Based on the accurate mass measurements,retention time,mass fragmentation patterns combined with comparison of reference and literature reports,a total of 87 major compounds including 43 flavonoids,9 alkaloids,4 triterpenoid saponins,1 sesquiterpene,2 coumarins,10 phenolic acids and 18 other compounds were tentatively screened and characterized.UHPLC-LTQ-Orbitrap-MS was employed to comprehensively elucidate the chemical components in Qingfei Paidu Decoction,which basically covered 20 Chinese medicines except gypsum in Qingfei Paidu Decoction.These collective results provide a scientific basis for further research on the quality control standard of Qingfei Paidu Decoction.