A comprehensive report on GC-MS profiling, FTIR analysis and HPLC quantification of pharmaceutically vital metabolite thymoquinone from Nigella seeds

The present investigation aimed to gain insights into the structure of bioactive metabolic compounds in Nigella sativa L. seed oil. Initially, spectroscopic methods viz., GC-MS and FTIR were employed to determine functional groups, substituents, and conjugated double bonds in Nigella oil. GC-MS analysis identified 11 different amalgams, with p -cymene, ?-terpinene and ?-thujene being the major components. The FTIR spectrum revealed the presence of strong, sharp, and weak peaks, along with critical functional groups corresponding to C-H, O-H, C-C, C?N, and N-O, indicating the presence of pharmaceutically active constituents of the seed oil in the wavelength range of 400 – 4000 cm-1. HPLC analysis indicated that the percent composition of thymoquinone in the seed extract was reported as 0.90% at a wavelength of 254 nm. In the examined samples, thymoquinone and standard thymoquinone both showed a peak Rf value of 3.656. The study's findings revealed that thymoquinone is a potential phytochemical present in the oil. Furthermore, the identified biomolecules hold promise for use in pharmaceutical applications to enhance health standards.