Identification of chemical constituents of Xiaochengqi Decoction by UPLC-Q-TOF/Fast DDA combined with UNIFI software.
10.19540/j.cnki.cjcmm.20210330.302
- Author:
Wen-Wen ZHANG
1
;
Chang-Liang YAO
2
;
Xue-Bing CHEN
2
;
Xue-Mei WEI
2
;
Ling CHEN
1
;
Jian-Qing ZHNAG
2
;
Shuai YAO
2
;
De-An GUO
1
Author Information
1. School of Chinese Materia Medica, Nanjing University of Chinese Medicine Nanjing 210023, China Shanghai Institute of Materia Medica, Chinese Academy of Sciences Shanghai 201203, China.
2. Shanghai Institute of Materia Medica, Chinese Academy of Sciences Shanghai 201203, China.
- Publication Type:Journal Article
- Keywords:
UNIFI;
UPLC-Q-TOF;
Xiaochengqi Decoction;
chemical constituents;
classical prescription
- MeSH:
Chromatography, High Pressure Liquid/methods*;
DDT/analogs & derivatives*;
Drugs, Chinese Herbal/chemistry*;
Mass Spectrometry;
Rhizome/chemistry*;
Software
- From:
China Journal of Chinese Materia Medica
2022;47(8):2121-2133
- CountryChina
- Language:Chinese
-
Abstract:
Based on the combination of ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF) and Waters UNIFI software, the chemical constituents of the classic prescription Xiaochengqi Decoction were qualitatively analyzed and identified. The UPLC conditions are as follows: Acquity HSS T3 reverse phase column(2.1 mm ×100 mm, 1.8 μm), column temperature of 30 ℃, mobile phase of 0.1% formic acid aqueous solution(A)-acetonitrile(B), and flow rate of 0.3 mL·min~(-1). High-resolution MS data of Xiaochengqi Decoction were collected in ESI~(+/-) modes by Fast DDA. The structures of the chemical constituents were tentatively characterized or identified by UNIFI software according to the retention time of reference standards and characteristic fragment ions in MS profile, and literature data. A total of 233 components in Xiaochengqi Decoction were identified, with 93 from wine-processed Rhei Radix et Rhizoma, 104 from bran-processed Aurantii Fructus Immaturus, and 36 from ginger-processed Magnoliae Officinalis Cortex. These 233 components included anthraquinones, flavonoids, lignans, alkaloids, coumarins, and phenylethanoid glycosides. The result provided experimental evidence for the further study on establishment of quality standard and product development of the formula.
