基于UPLC-Q-TOF-MSE技术结合UNIFI软件快速分析柴胡加龙骨牡蛎汤化学成分

Rapid identification of chemical constituents of Chaihu-jia-Longgu-Muli decoction based on UPLC-Q-TOF-MSE coupled with UNIFI platform

关键词:  柴胡加龙骨牡蛎汤  化学成分  UPLC-Q-TOF-MSE  UNIFI

Key words:  Chaihu-jia-Longgu-Muli decoction  chemical composition  UPLC-Q-TOF-MSE  UNIFI

摘要:

摘要：目的 本研究应用超高液相色谱-四级杆飞行时间质谱联用（UPLC-Q-TOF-MSE）技术结合UNIFI软件对柴胡加龙骨牡蛎汤化学成分进行快速鉴定，同时分析其裂解规律。方法：采用ChromCore C18柱（3μm，3.0×100mm），以乙腈（A）-0.1%甲酸水溶液（B）为流动相进行梯度洗脱，流速为0.3mL/min，进样量为10μL，分别于正、负离子模式对柴胡加龙骨牡蛎汤水体物进行质谱检测。使用UNIFI软件依据相对分子质量、特征碎片离子、保留时间等信息对化合物进行自动检索匹配，同时结合标准品和文献对化合物进行定性鉴定。结果：本研究初步鉴定102种化合物，包括38种皂苷、32种黄酮、12种多酚类化合物、9种蒽醌类化合物以及11种其他类化合物。结论：应用UPLC-Q-TOF-MSE技术结合UNIFI软件可以快速准确的分析柴胡加龙骨牡蛎汤的化学成分，为柴胡加龙骨牡蛎汤后续的药效学研究及质量控制提供依据。

Abstract:

ABSTRACT: OBJECTIVE In this study, UPLC-Q-TOF-MSE technology combined with UNIFI software was used to rapidly identify the chemical components of Chaihu-jia-Longgu-Muli decoction and analyze its cracking rule. METHODS ChromCore C18 column (3μm, 3.0×100mm) was used for gradient elution with acetonitrile (A) -0.1% formic acid aqueous solution (B) as the mobile phase, the flow rate was 0.3mL/min, and the sample size was 10μL. Mass spectrometry was used to detect the water substance of Chaihu-jia-Longgu-Muli decoction in positive and negative ion modes, respectively. UNIFI software was used to automatically search and match compounds according to relative molecular weight, characteristic fragment ion, retention time and other information, and qualitative identification of compounds was performed in combination with standards and literature. RESULTS 102 compounds were identified in this study, including 38 saponins, 32 flavonoids, 12 polyphenols, 9 anthraquinones and 11 other compounds. CONCLUSION The application of UPLC-Q-TOF-MS technology combined with UNIFI software can quickly and accurately analyze the chemical composition of Chaihu-jia-Longgu-Muli decoction, which provides a basis for subsequent pharmacodynamic research and quality control of Chaihu-jia-Longgu-Muli decoction.