LC-MS/MS-based dereplication and molecular networking of Ficus superba with identification and quantification of furanocoumarins

Ficus superba (Moraceae) is a limestone-associated plant species from Malaysia that remains chemically unexplored. This study aimed to establish the phytochemical profile of its bark, leaves, and twigs using an untargeted mass spectrometry-based approach for rapid dereplication of known constituents. Feature-based molecular networking (FBMN) revealed distinct clusters of metabolites, leading to the annotation of 23 compounds distributed across major classes, including stilbenoids, coumarins, flavonoids, terpenoids and others. Comparative profiling demonstrated variation in metabolite composition between plant parts, but consistently highlighted two furanocoumarins, oxypeucedanin hydrate and oxypeucedanin hydrate-3′-O-β-D-glucopyranoside, as organ-conserved metabolites and candidate marker compounds. Their levels were quantified using a validated UHPLC-UV method, confirming their presence in bark, leaves, and twigs at concentrations ranging from 10 to 118 µg/mg of dry extract. This integrated approach provides a focused dereplication-guided chemical overview of F. superba and identifies candidate marker compounds that may support future chemotaxonomic and pharmacological studies.