Discovery of novel ascorbic acid derivatives and other metabolites in fruit of Rosa roxburghii Tratt through untargeted metabolomics and feature-based molecular networking

Yaqi Zhang; Xiqing Bian; Guanyu Yan; Baoqing Sun; Wen Miao; Mingzheng Huang; Na Li; Jian-Lin Wu

doi:10.1016/j.foodchem.2022.134807

Discovery of novel ascorbic acid derivatives and other metabolites in fruit of Rosa roxburghii Tratt through untargeted metabolomics and feature-based molecular networking

Food Chem. 2023 Mar 30;405(Pt A):134807. doi: 10.1016/j.foodchem.2022.134807. Epub 2022 Nov 2.

Authors

Yaqi Zhang¹, Xiqing Bian¹, Guanyu Yan², Baoqing Sun², Wen Miao¹, Mingzheng Huang³, Na Li⁴, Jian-Lin Wu⁵

Affiliations

¹ State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Taipa, Macau.
² Department of Allergy and Clinical Immunology, Guangzhou Institute of Respiratory Health, State Key Laboratory of Respiratory Disease, National Clinical Research Center of Respiratory Disease, National Center for Respiratory Medicine, The First Affiliated Hospital of Guangzhou Medical University, Guangzhou, China.
³ College of Food and Pharmaceutical Engineering, Guizhou Institute of Technology, Guiyang, Guizhou, China.
⁴ State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Taipa, Macau. Electronic address: nli@must.edu.mo.
⁵ State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Taipa, Macau. Electronic address: jlwu@must.edu.mo.

PMID: 36370576
DOI: 10.1016/j.foodchem.2022.134807

Abstract

Fruit of Rosa roxburghii Tratt (FRR) is widely used in functional food industry while short of metabolites research. Herein, we firstly identified 251 metabolites in FRR based on untargeted liquid chromatography-mass spectrometry (LC-MS) approach. Then, 42 differential compounds were sought out to avoid the confusing use of FRR and fruit of R. sterilis S. D. Shi (FRS), and FRR was evaluated exhibiting higher biofunction potential. Moreover, a quantitative LC-MS approach was established to determine the contents of 3 ascorbyl hexosides, and FRR with higher contents should be better source than FRS. Additionally, 17 ascorbic acid (AA) derivatives formed by conjugation of ascorbyl unit with organic acids, flavonoids, or glucuronic acid were also discovered in FRR through characteristic ions of AA and feature-based molecular networking (FBMN), enlightening that AA derivatives were not limited to ascorbyl glycosides. This study provided abundant metabolites information of FRR, laying the basis for exploitation of FRR.

Keywords: Ascorbyl hexosides; Chemical profiling; Differential analysis; Novel AA derivatives.

MeSH terms

Ascorbic Acid / analysis
Chromatography, Liquid
Fruit / chemistry
Metabolomics / methods
Rosa* / chemistry

Substances

Ascorbic Acid