欢迎访问成都乐美天医药科技有限公司

Dimension-Enhanced Ultra-High Performance Liquid Chromatography/Ion Mobility-Quadrupole Time-of-Flight Mass Spectrometry Combined with Intelligent Peak Annotation for the Rapid Characterization of the Multiple Components from Seeds of Descurainia sophia

发布时间:2022-12-30
作者:Simiao Wang
阅读次数:1852
文章字数:2581

Abstract

The complex composition of herbal metabolites necessitates the development of powerful analytical techniques aimed to identify the bioactive components. The seeds of Descurainia sophia (SDS) are utilized in China as a cough and asthma relieving agent. Herein, a dimension-enhanced integral approach, by combining ultra-high performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) and intelligent peak annotation, was developed to rapidly characterize the multicomponents from SDS. Good chromatographic separation was achieved within 38 min on a UPLC CSH C18 (2.1 × 100 mm, 1.7 μm) column which was eluted by 0.1% formic acid in water (water phase) and acetonitrile (organic phase). Collision-induced dissociation-MS2 data were acquired by the data-independent high-definition MSE (HDMSE) in both the negative and positive electrospray ionization modes. A major components knockout strategy was applied to improve the characterization of those minor ingredients by enhancing the injection volume. Moreover, a self-built chemistry library was established, which could be matched by the UNIFI software enabling automatic peak annotation of the obtained HDMSE data. As a result of applying the intelligent peak annotation workflows and further confirmation process, a total of 53 compounds were identified or tentatively characterized from the SDS, including 29 flavonoids, one uridine derivative, four glucosides, one lignin, one phenolic compound, and 17 others. Notably, four-dimensional information related to the structure (e.g., retention time, collision cross section, MS1 and MS2 data) was obtained for each component by the developed integral approach, and the results would greatly benefit the quality control of SDS.

 

…………

2 Materials and Methods
2.1 Materials
        Twenty compounds (Fig. 2) were used as reference compounds in this work.   These compounds were isoquercitrin (1, C21H20O12), quercetin-7-O-β-D-glucopyranoside (2, C21H20O12), kaempferol-3-O-neohesperidoside (3, C27H30O15), kaempferol-3-O-rutinoside (4, C27H30O15), kaempferol (5, C15H10O6),luteolin (6, C15H10O6), quercetin (7, C15H10O7), apigenin (8, C15H10O5), isorhamnetin-3-O-glucoside (9,C22H22O12), kaempferol-7-O-glucoside (10, 21H20O11), kaempferol-3-O-β-D-glucuronide (11,C21H18O12), apigenin-7-O-β-D-glucuronide (12, C21H20O10), rutin (13, C27H30O16),   leutherodide A (14,C33H40O20), β-sitosterol (15, C35H60O6), glucosinalbin (16, C29H50O), scopolin (17, C14H19NO10S),psoralen (18, C16H18O9), sinapic acid (19, C11H6O3), and vanillic acid (20, C8H8O4).   They were purchased from Chengdu Desite Biotechnology Co., Ltd. (Chengdu, China)

…………

DOI: 10.32604/phyton.2022.018571
相关文章 产品推荐
QQ咨询
售前咨询: -->