Rapid characterization and identification of non-volatile constituents in Pogostemonis Herba by UPLC-Q-TOF-MS combined with UNIFI and an in-house library.
10.19540/j.cnki.cjcmm.20230413.201
- Author:
Chao-Fa WEI
1
;
Li-Wan ZHU
2
;
Xiao-Yan LAN
1
;
Li ZHOU
1
;
Xiang LI
1
;
Qing-Xiu HAO
1
;
Zi-Dong QIU
1
;
Li-Ping KANG
1
Author Information
1. State Key Laboratory Breeding Base of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.
2. State Key Laboratory Breeding Base of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China Tianjin University of Traditional Chinese Medicine Tianjin 301617, China.
- Publication Type:Journal Article
- Keywords:
Pogostemonis Herba;
UPLC-Q-TOF-MS;
flavonoids;
fragmentation pathways;
phenylethanoid glycosides
- From:
China Journal of Chinese Materia Medica
2023;48(14):3826-3838
- CountryChina
- Language:Chinese
-
Abstract:
This study aimed to characterize and identify the non-volatile components in Pogostemonis Herba by using ultra-perfor-mance liquid chromatography-quadrupole-time of flight-mass spectrometry(UPLC-Q-TOF-MS) combined with UNIFI and an in-house library. The chemical components in 50% methanol extract of Pogostemonis Herba were detected by UPLC-Q-TOF-MS in both positive and negative MS~E continuum modes. Then, the MS data were processed in UNIFI combined with an in-house library to automatically characterize the metabolites. Based on the multiple adduct ions, exact mass, diagnostic fragment ions, and peak intensity of compounds and the fragmentation pathways and retention behaviors of reference substances, the structures identified by UNIFI were further verified and those of the unidentified compounds were tentatively elucidated. A total of 120 compound structures were identified or tentatively identified, including flavonoids, phenylpropanoids, phenolic acids, terpenes, fatty acids, alkaloids, and phenylethanoid glycosides. Sixteen of them were accurately identified by comparison with reference substances, and 53 compounds were reported the first time for Pogostemonis Herba. This study systematically characterized and identified the non-volatile compounds in Pogostemonis Herba for the first time. The findings provide a scientific basis for revealing the pharmacodynamic material basis, establishing a quality control system, and developing products of Pogostemonis Herba.
