Issue 3, 2019, Issue in Progress

Chemical profiling and total quality assessment of Isodon japonica using data-independent acquisition mode combined with superimposed multiple product ion UHPLC-Q-TOF-MS and chemometric analysis

Abstract

In this paper, an analytical strategy combined data acquisition with a practical mining strategy aimed at rapid characterization and quantitation of ent-kaurane diterpenoids in Isodon japonica using ultra high-performance liquid chromatography-triple time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS). First, an effective self-built filter template based on drug phase I/II metabolic reaction theory and a components library data set were established. Second, the mass spectra of ent-kaurane diterpenoid standards were studied and their mass spectrum cleavage pathways were summarized. Next, the methanol extract of this herb was studied by data-independent acquisition mode (DIA). With the aid of a self-built filter template, the peaks of ent-kaurane diterpenoids were easily picked out and rapidly classified as ent-kaurane diterpenoids from a complex matrix. A total of 24 ent-kaurane diterpenoids were structurally identified. Meanwhile, the self-built filter template provided a convenient and fast method for the structural characterization and Isodon japonica was used to illustrate this approach for the first time. Furthermore, eight major bioactive diterpenoids were simultaneously quantified by a newly developed superimposed multiple product ion (SMPI) with UPLC-Q-TOF-MS/MS method. Principal component analysis (PCA) revealed significant differences in different batches of samples. These combined qualitative and quantitative methods were used to provide a potential approach for the holistic quality evaluation of traditional Chinese medicine (TCM) and its preparations.

Graphical abstract: Chemical profiling and total quality assessment of Isodon japonica using data-independent acquisition mode combined with superimposed multiple product ion UHPLC-Q-TOF-MS and chemometric analysis

Supplementary files

Article information

Article type
Paper
Submitted
24 Oct 2018
Accepted
21 Dec 2018
First published
11 Jan 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 1403-1418

Chemical profiling and total quality assessment of Isodon japonica using data-independent acquisition mode combined with superimposed multiple product ion UHPLC-Q-TOF-MS and chemometric analysis

Y. Jin, T. Tian, Y. Ma, L. Hou, S. Guan, W. Sun, Y. Du and L. Zhang, RSC Adv., 2019, 9, 1403 DOI: 10.1039/C8RA08732F

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