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May 9, 2026Journal of Agricultural and Food Chemistry0 citations

Feature-Based Molecular Networking Approach for Exploring the Chemical Profile and Quantification of Polyphenols in Stevia rebaudiana , Bertoni Using HR-LC-ESI-Orbitrap-MS n

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HHHeba HandoussaLMLivhuwani MafhalaSKSukhmanpreet Kaur

Key Points

  • This research aims to elucidate the complete metabolomic profile of Stevia Rebaudiana by identifying and quantifying its polyphenolic compounds.
  • Utilized high-resolution mass spectrometry (HR-MS) for analyzing Stevia Rebaudiana extracts.
  • Employed feature-based molecular networking (FBMN) using variable data-dependent acquisition (DDA).
  • Generated a comprehensive phytochemical map revealing 7956 nodes and 2903 edges in molecular networking.
  • Identified 14 compounds, including three glycosides, five stevioside isomers, and six hydroxycinnamic acid derivatives.
  • Achieved targeted quantification of eight major metabolites with significant concentration-dependent variations.
  • First-time annotation of compounds to regioisomeric levels contributes to understanding biosynthetic pathways.

Abstract

(Bertoni) (SR) is a natural sweetener rich in bioactive diterpene glycosides and therapeutic metabolites. Despite intensive research, its full metabolomic profile has not yet been revealed. In the current research, tandem MS data obtained from UHPLC-ESI-Orbitrap-high-resolution mass spectrometry were utilized to generate a feature-based molecular networking (FBMN) via variable data-dependent acquisition (DDA) mode to qualitatively and quantitatively annotate the phytoconstituents. Three solid-to-solvent ratios (1%, 4%, and 8% w/v) of SR aqueous extracts were used. FBMN analysis through the Global Natural Products Social Molecular Networking (GNPS2) platform yielded 7956 nodes, 2903 edges, and 315 molecular families. Fourteen compounds, including three glycosides, five stevioside isomers, and six hydroxycinnamic acid derivatives, were annotated to regioisomeric levels for the first time. Targeted quantification of eight major metabolites related to the classes under study revealed significant concentration-dependent variations. These findings highlight the phytochemical map with insights into the interconnected biosynthetic pathways.

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Cite This Study

Handoussa et al. (2026) studied this question.

synapsesocial.com/papers/69fecf49b9154b0b82876572https://doi.org/10.1021/acs.jafc.5c17998
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