Open-access Dereplication of Secondary Metabolites from Isabelcristinia aromatica (Linderniaceae) by Untargeted Tandem Mass Spectrometry-Based Molecular Networking

Abstract

Isabelcristinia aromatica is a new monotypic species of a new genus recently described, and belongs to the Linderniaceae family. In order to investigate the phytochemical composition of I. aromatica, high-performance liquid chromatography with diode array detector and electrospray ionization mass spectrometric detection (HPLC-DAD-ESI-MS2) analyses were conducted on crude methanolic extract and methanolic fraction obtained by partition from the dried leaves of the plant species. The putative annotation was carried out using UCSD Global Natural Products Social Molecular Networking (GNPS) and revealed the clustering of various classes of metabolites, including flavonoid glycoconjugates, phenylethanoids, and iridoid glycosides. The results showed the diversity of secondary metabolites in the species, and molecular networking could be considered a useful method for speeding the annotation of secondary metabolites in plant extracts.

Keywords:
Linderniaceae; iridoid glycosides; flavonoid glycoconjugates; phenylethanoids; GNPS


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