Our previous findings showed that amines from Tridax procumbens (Family: Asteraceae) were responsible for the synthesis of silver nanoparticles. T. procumbens is a weed plant with rich source of medicinal compounds. In the current work, we studied the initial characterization of bioactive compounds by LC-MS, an essential tool for the characterization and identification of low molecular compounds. Further the isolated compound was investigated for silver nanoparticle synthesis. The leaf extracts examined revealed many novel amine derivative compounds reported for the first time mainly belonging to the group of free amines: n-Pentylhydrazine hydrochloride, 2-Nitrobenzenesulfonyl chloride, 1,7-Dichlorooctamethyltetrasiloxane, 5-Chloro-1,2,4-trihydroxybenzene, 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine and 2-(Diphenylphosphino) ethyltriethoxysilane and conjugated amines: 5-Methoxy-diisopropyltryptamine, 4-Chlorophenoxyacetic acid, Diphenhydramine, Erucamide, n(4-((2-(2,5-dimethoxybenzylidene)hydrazino)carbonyl)ph)-4-me-benzenesulfonamide and 1,3,5-Trithia-2,4,6-tristannacyclohexane, 2,2,4,4,6,6-hexamethyl. Characterization by UV-Vis spectra, XRD, EDX and TEM revealed well separated spherical shaped AgNPs size ranging 8-50 nm. These findings suggest that further work could be extended to isolate and elucidate the structures of the identified molecules using powerful instruments such as HPLC-MS, HPLC-NMR and high resolution-MS (HR-MS). Further biotechnological approaches towards synthesis of novel metals will be enhanced to promote green chemistry technology adoption for the synthesis of nanoparticles.