Rapid Characterization of Chemical Constituents in Dayuanyin by UPLC-Q-Exactive Orbitrap MS
10.13422/j.cnki.syfjx.20220946
- VernacularTitle:经典名方达原饮化学成分的UPLC-Q-Exactive Orbitrap MS快速表征
- Author:
Kangning XIAO
1
;
Ming SU
2
;
Yujie HOU
1
;
Xinjun ZHANG
2
;
Yuecheng LIU
2
;
Xinrui LI
2
;
Dandan SUN
2
;
Ruixue LIANG
2
;
Lei CAO
1
;
Shanxin LIU
2
Author Information
1. Pharmaceutical College，Shandong University of Traditional Chinese Medicine，Jinan 250355，China
2. Shandong Academy of Chinese Medicine，Jinan 250014，China
- Publication Type:Journal Article
- Keywords:
famous classical formulas;
Dayuanyin;
ultra-performance liquid chromatography-quadrupole/electrostatic field orbitrap mass spectrometry（UPLC-Q-Exactive Orbitrap MS）;
chemical components;
flavonoids;
saponins;
fragmentation pattern
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2023;29(10):1-12
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveTo characterize the chemical constituents of Dayuanyin based on ultra-performance liquid chromatography-quadrupole/electrostatic field orbitrap mass spectrometry（UPLC-Q-Exactive Orbitrap MS）. MethodThe detection was performed on a Thermo Acclaim™ RSLC 120 C18 column（2.1 mm×100 mm， 2.2 μm）， the mobile phase was acetonitrile（A）-0.1% formic acid aqueous solution（B） for gradient elution （0-7.5 min， 10%-19%A； 7.5-12 min， 19%-22.5%A； 12-23 min， 22.5%-27%A； 23-27 min， 27%-56%A； 27-35 min， 56%-84%A； 35-36 min， 84%-90%A）， the flow rate was 0.3 mL·min-1， and the column temperature was 30 ℃. The data were collected in the positive and negative ion modes by heated electrospray ionization（HESI）， and the detection range was m/z 80-1 200. Combining the retention time of the reference substance， fragment ions， databases such as PubChem and related literature， Xcalibur 3.0 was used to identify the chemical constituents of Dayuanyin. ResultA total of 161 compounds were identified， including 14 alkaloids， 60 flavonoids， 16 terpenoids， 26 saponins， 18 phenylpropanoids， 16 organic acids and 11 others. ConclusionThe established method can effectively and quickly identify the chemical components in Dayuanyin， and clarify its chemical composition， which can provide a basis for the development of compound preparations of this famous classical formula.
