This study employs mass spectrometry as a powerful analytical tool for the structural elucidation of three complex organic compounds: [4‐(4,4,5,5‐tetramethyl‐1,8‐dioxo‐2,3,4,5,6,7,8,9‐ octahydro‐1H‐xanthen‐9‐yl)phenyl]azinic acid, [2‐chloro‐4‐(4,4,5,5‐tetramethyl‐1,8‐dioxo‐ 2,3,4,5,6,7,8,9‐octahydro‐1H‐xanthen‐9‐yl)phenyl]azinic acid, and 9‐(3,4‐dichlorophenyl)‐ 4,4,5,5‐tetramethyl‐2,3,4,5,6,7,8,9‐octahydro‐1H‐xanthene‐1,8‐dione. The mass spectra of each compound was examined and key observations were made including the identification of molecular ion peaks, interpretation of fragment patterns, and detection of elemental ions. The systematic loss of -CH2 groups across all three compounds indicated the presence of long aliphatic chains. Although mass spectrometry data provided a significant insight into the structural characteristics of the compounds, the interpretations are considered tentative, emphasizing the need for additional analytical techniques for comprehensive characterization. The study highlights the essential role of mass spectrometry in the primary characterization of complex organic compounds and sets the stage for further investigations using complementary techniques