N-3 and N-9 derivatives of 8-azaxanthine have been studied using elect
ron impact mass spectrometry. Mass-analyzed metastable ion kinetic ene
rgy, linked scan at the constant B/E, collision-induced dissociation m
ethods, as well as high-resolution measurements have been used for eva
luation of complete fragmentation schemes. Two fragmentation pathways
of 8-azaxanthine skeleton begin by the elimination of CH3NCO or N-2 mo
lecule. The primary elimination of nitrogen molecules is characteristi
c difference in fragmentation routes of 8-azaxanthines in comparison t
o purine. Another pathway leads to fragmentation of the N-3 and N-9 su
bstituents.