基于UHPLC-Q-Exactive Orbitrap MS的湖南新冠2号方的化学成分研究

Study on Chemical Constituents of Hunan No.2 Prescription of COVID-19 Based on UHPLC-Q-Exactive Orbitrap MS

目的建立湖南新冠2号方的超高效液相色谱串联四级杆轨道阱质谱(UHPLC-Q-Exactive Orbitrap MS)定性分析方法,系统阐明湖南新冠2号方中的化学成分。方法使用ACQUITY UPLC■BEH C18色谱柱(2.1 mm×100 mm,1.7μm),以0.1%甲酸水(A)-乙腈(B)为流动相,梯度洗脱,流速0.3 mL/min,柱温35℃,进样量2μL,采用电喷雾离子源,在Full Scan MS/dd-MS2扫描模式下采集数据。结果通过分析质谱数据、查阅相关文献以及参考相关数据库,从湖南新冠2号方中共鉴定出64个化学成分,其中包括34个黄酮类化合物、10个有机酚酸类化合物、10个三萜类化合物、3个环烯醚萜苷类、3个核苷类、2个氨基酸类化合物和2个脂肪酸类。结论UHPLC-Q-Exactive Orbitrap MS技术可全面快速分析湖南新冠2号方中的化学成分,为进一步研究湖南新冠2号方抗新型冠状病毒肺炎的药效物质基础及质量控制提供一定的理论依据。

Objective To establish a qualitative analysis method of Hunan No.2 Prescription of COVID-19 by ultra high performance liquid chromatography tandem four stage rod orbital trap mass spectrometry(UHPLC-Q-Exactive Orbitrap MS),and to systematically elucidate the chemical constituents of Hunan No.2 Prescription of COVID-19.Methods The ACQUITY UPLC■BEH C18 chromatographic column(2.1 mm×100 mm,1.7μm)was used with 0.1%formic acid in water(A)-acetonitrile(B)as mobile phase for gradient elution.The volume flow rated was 0.3 mL/min,the column temperature was 35℃,and the injection volume was 2μL.The data were collected by electrospray ionization in Full Scan MS/dd-MS2 scan mode.Results A total of 64 chemical constituents were identified from Hunan No.2 Prescription of COVID-19 by analyzing mass spectrometry data,consulting related literatures and referring to related databases,including 34 flavonoids,10 organic phenolic acids,10 triterpenoids,3 iridoid glycosides,3 nucleosides,2 amino acids and 2 fatty acids.Conclusion UHPLC-Q-Exactive Orbitrap MS technology can comprehensively and quickly analyze the chemical constituents of Hunan No.2 Prescription of COVID-19,which provided a certain theoretical basis for further research on the pharmacological substance basis and quality control of Hunan No.2 Prescription of COVID-19 against COVID-19.