Simultaneously qualitative and quantitative analysis of the representative components in Kadsura heteroclita stem by UHPLC-Q-Orbitrap HRMS

Abstract

Kadsura heteroclita (Roxb) Craib stem (KHS) is a medicinal plant used for the treatment of rheumatism arthritis diseases in Tujia ethnomedicine. Thus far, the complex chemical compositions in KHS are not clear, and the levels of the major compounds in KHS are not well understood. In this study, a novel UHPLC-Q-Orbitrap HRMS method was established for the simultaneous quali-quantitative analysis of KHS. A total of 204 compounds were identified, including triterpenoids, lignans, sesquiterpenes, fatty acids, phenolic acids, and flavonoids, more than 100 of which were first discovered in KHS. Using the same method, 12 representative bioactive components were successfully quantified. The method was fully validated by linearity, LOD, LOQ, precision, stability, recovery, and matrix effects, and it was applied to quantify the 12 representative compounds in 4 batches of KHS. As this method enables retrospective data analysis and has no upper limit to the number of analytes in a single run, it can be applied to quantify more active components of KHS in the future.

Comprehensive multicomponent characterization and quality assessment of Shuang‐Huang‐Lian powder injection using ultra‐high‐performance liquid chromatography‐quadrupole time‐of‐flight‐mass spectrometry and ultra‐high‐performance liquid chromatography‐quadrupole‐Orbitrap‐mass spectrometry

“…The PRM mode, one of the detection modes of MS, was chosen to eliminate matrix background interference and reduce assay development time 29 . Considering the great disparity of selected constituents and quantities, the adjusted PRM method was developed by setting different optimization energies based on the response of the parent ions and selecting the specific fragment ion peak to ensure the active constituents could be tested at the same level 30 . In the first step, an inclusion list of target analysis was created, and the molecular formula of 10 monitored compounds, the type of adducts, and the negative ion mode were included.…”

“…29 Considering the great disparity of selected constituents and quantities, the adjusted PRM method was developed by setting different optimization energies based on the response of the parent ions and selecting the specific fragment ion peak to ensure the active constituents could be tested at the same level. 30 In the first step, an inclusion list of target analysis was created, and the molecular formula of 10 monitored compounds, the type of adducts, and the negative ion mode were included. Then, the list was imported into the method settings, which completed the simultaneous scanning of compounds under the entire desired stepped energy range (10, 20, 30, 40, 50, 60, and 70 kV).…”

Analytical Method Development, Validation, and Estimation of Lupeol, Quercetin, Vasicine in Polyherbal Formulations and Selected Plant Species by using UFLC-MS

“…The above placebo supernatant solution was diluted from 5ml to 50ml with the mobile phase. A placebo solution was injected, and the chromatogram was recorded 46 .…”

An Efficient Workflow for Quality Control Marker Screening and Metabolite Discovery in Dietary Herbs by LC-Orbitrap-MS/MS and Chemometric Methods: A Case Study of Chrysanthemum Flowers

“…Specifically, LC-MS cannot distinguish isomers, suffers from in-source fragmentation (ISF) interference, and relies on inaccurate online database matching of precursor ions [5,6]. Although some product ion spectrum libraries can improve identification reliability, identifying compounds with few and less abundant fragments is still problematic [7]. Moreover, the identification accuracy of LC-MS is often overlooked, resulting in unreliable subsequent analysis.…”