Issue 84, 2017

Applying target data screening followed by characteristic fragment filtering for the comprehensive screening and identification of alkaloids in Corydalis yanhusuo W. T. Wang by UPLC-Q-TOF/MSE

Abstract

A target data screening strategy followed by characteristic fragment filtering by UPLC-Q-TOF/MSE was developed for rapidly and comprehensively identifying alkaloids in Corydalis yanhusuo W. T. Wang (Yanhusuo). The proposed strategy consisted of the following four steps. (1) Fragmental patterns and characteristic fragments of various types of alkaloids were summarized based on the reference compounds and previous reference literature. (2) Target data screening was conducted and data screening tables involving various types of alkaloids were constructed referring to the structural characteristics of alkaloids, the type and number of substituents, and characteristic fragments. This data screening table includes all possible molecular weights of various types of alkaloids. (3) The raw data detected by UPLC-Q-TOF/MSE were screened preliminarily using data screening tables, then characteristic fragment filtering was used to rapidly recognize various types of alkaloids. (4) A comparison was made with retention time, accurate mass, MS/MS fragmentation and online databases, as well as a reference to related literature to validate the data. As a result, a total of 86 compounds were identified or characterized, including 24 tetrahydroprotoberberine alkaloids, 22 protoberberine alkaloids, 6 protopine alkaloids, 12 aporphine alkaloids and 22 other compounds. Among them, 8 were potentially new compounds, and 5 components were discovered in Yanhusuo for the first time. The method proposed in this paper was proved to be an efficient data processing approach to rapidly discover and characterize chemical constituents from complicated herbal extracts, without the help of standard substances. Furthermore, this research enriched the material basis of Yanhusuo and provided meaningful guidance for the discovery of potentially new compounds.

Graphical abstract: Applying target data screening followed by characteristic fragment filtering for the comprehensive screening and identification of alkaloids in Corydalis yanhusuo W. T. Wang by UPLC-Q-TOF/MSE

Supplementary files

Article information

Article type
Paper
Submitted
07 Aug 2017
Accepted
13 Nov 2017
First published
21 Nov 2017
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2017,7, 53545-53551

Applying target data screening followed by characteristic fragment filtering for the comprehensive screening and identification of alkaloids in Corydalis yanhusuo W. T. Wang by UPLC-Q-TOF/MSE

M. Wang, Y. Liu, S. Fu, Q. Zhang, Q. Wang and X. Gao, RSC Adv., 2017, 7, 53545 DOI: 10.1039/C7RA08720A

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements