Rennellia borneensis Baill. (Rubiaceae), also known as Borneo ginseng, is an endemic plant species of
Sabah, growing in a few surrounding Imbak Canyon Conservation Area (ICCA). The plant's
roots are sought after and collected for their medicinal properties to treat various
illnesses, including cancer and poisoning. It is also used for anti-ageing, vitality
and as an energy booster. Nevertheless, the scientific data such as secondary metabolites
and biological properties are still unknown. Understanding the chemistry and biological
potential of the species is vital for substantiating the traditional usage while ensuring
its sustainability. Hence, this study was designed to examine, for the first time,
the secondary metabolites of the roots (dichloromethane extract) of Rennellia borneensis growing in Borneo. The annotation of the secondary metabolites was achieved by comprehensive
analysis of the data-dependent acquisition (DDA) LC-MS/MS using SIRIUS. The study
identified 20 compounds from distinct tandem MS data. De novo molecular formula annotations
and predictions from SIRIUS suggested 4 major classes of compound classified as anthraquinones,
flavonoids, isoflavonoids and triterpenoids. Based on the literature, anthraquinone
plays as a marker compound from this genus. Based on our results, we advocate the
MS- based approach as a useful starting method for the dereplication of compounds
from the complex crude extracts of plants.