Issue 40, 2021

UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)

Abstract

Untargeted metabolomics is a powerful tool in chemical fingerprinting. It can be applied in phytochemistry to aid species identification, systematic studies and quality control of bioproducts. This approach aims to produce as much chemical information as possible, without focusing on any specific chemical class, thus, requiring extensive chemometric effort. This study aimed to evaluate the feasibly of an untargeted metabolomics method in phytochemistry by a study case of the Copaifera genus (Fabaceae). This genus contains significant medicinal species used worldwidely. Copaifera exploitation issues include a lack of chemical data, ambiguous species identification methods and absence of quality control for its bioproducts. Different organs of five Copaifera species were analysed by UHPLC-HRMS/MS, GNPS platform and chemometric tools. Untargeted metabolomics enabled the identification of 19 chemical markers and 29 metabolites, distinguishing each sample by species, plant organs, and biome type. Chemical markers were classified as flavonoids, terpenoids and condensed tannins. The applied method provided reliable information about species chemodiversity using fast workflow with little sampling size. The untargeted approach by UHPLC-HRMS/MS proved to be a promising tool for species identification, pharmacological prospecting and in the future for the quality control of extracts used in the manufacture of bioproducts.

Graphical abstract: UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)

Supplementary files

Article information

Article type
Paper
Submitted
23 apr 2021
Accepted
17 jun 2021
First published
19 jul 2021
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2021,11, 25096-25103

UHPLC-HRMS/MS on untargeted metabolomics: a case study with Copaifera (Fabaceae)

A. D. S. Antonio, D. S. Oliveira, G. R. Cardoso dos Santos, H. M. G. Pereira, L. S. M. Wiedemann and V. F. D. Veiga-Junior, RSC Adv., 2021, 11, 25096 DOI: 10.1039/D1RA03163E

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