Rapid screening the chemical components in Jiawei Dingzhi pills using precursor ion selection UHPLC-Q-TOF-MS/MS
10.16438/j.0513-4870.2024-0115
- VernacularTitle:基于前离子选择的UHPLC-Q-TOF-MS/MS技术快速筛查加味定志丸中的化学成分
- Author:
Zu-ying WEI
1
,
2
;
Cong FANG
1
,
2
,
3
;
Kui CHEN
1
,
2
;
Hao-lan YANG
1
,
2
;
Jie LIU
4
,
5
;
Zhi-xin JIA
4
,
5
;
Yue-ting LI
1
,
2
;
Hong-bin XIAO
4
,
5
Author Information
1. School of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China
2. Research Center for Chinese Medicine Analysis and Transformation, Beijing University of Chinese Medicine, Beijing 100029, China
3. Jiangxi University of Chinese Medicine, Nanchang 330000, China
4. Research Center for Chinese Medicine Analysis and Transformation, Beijing University of Chinese Medicine, Beijing 100029, China
5. Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China
- Publication Type:Research Article
- Keywords:
Jiawei Dingzhi pill;
UHPLC-Q-TOF-MS/MS;
chemical component;
precursor ion selection;
structural identification
- From:
Acta Pharmaceutica Sinica
2024;59(8):2350-2364
- CountryChina
- Language:Chinese
-
Abstract:
A precursor ion selection (PIS) based ultra high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-Q-TOF-MS) analytical method was used to screen the chemical components in Jiawei Dingzhi pills (JWDZP) comprehensively and rapidly. To compile the components of the compound medicine, a total of 1 921 components were found utilizing online databases and literature. After verifying the sources, unifying the component names, merging the multi-flavor attributed components, and removing the weak polar molecules, 450 components were successfully retained. The Acquity UPLC HSS T3 column (100 mm × 2.1 mm, 1.8 μm) was used, with a 0.1% formic acid water (A)-acetonitrile (B) as the mobile phase. The flow rate was 0.35 mL·min-1, the column temperature was 35 ℃, and an electrospray ion source was used. Data was collected with the PIS strategy in both positive and negative ion modes. Compounds were screened through matching accurate molecular weight of the database, and identified according to MS/MS data (characteristic fragment ions and neutral loss), with comparison of reference. Some compounds were confirmed using standard products. A total of 176 compounds were screened out in the extract of JWDZP, among which 26 compounds were confirmed by standard products. These compounds include 96 components from the sovereign drug, and 34 coefflux components with low ion intensity. The PIS-UHPLC-Q-TOF-MS/MS method established in this study can quickly and comprehensively screen the chemical components of JWDZP, which enhanced the screening rate of components with co-elution compounds of low ion intensities and provided a basis for the study of the material foundation of JWDZP.
