ABSTRACT

The mass spectrum shows an odd m/z value (m/z 193) for the molecular ion, which is also the base peak of the spectrum. M-1, M-26, and M-28 fragments are the only additional noteworthy peaks of the spectrum. It looks like a particularly stable nitrogen aromatic compound that suffers little fragmentation. Using the rule of thirteen, C13H23N can be proposed as the molecular formula after inserting nitrogen in the initial formula (C14H25). However, the number of hydrogen atoms is too high for an aromatic compound, and the calculation of the double bond equivalents does not provide a whole number, so that formula is not right. A more probable option is C14H11N, a structure with ten unsaturations, which make us think of a bicyclic or tricyclic compound.