Mass spectral behavior of 5(6)-substituted benzimidazoles was written by Mathias, L. J.;Overberger, C. G.. And the article was included in Journal of Organic Chemistry in 1978.Electric Literature of C8H8N2 This article mentions the following:
Three general classes of 5(6)-substituted benzimidazoles were compared according to common or similar fragmentation pathways in the mass spectrometer. The 5(6)-alkyl derivatives fragment through a common intermediate of m/e 131, which possess a ring-expanded structure resembling that of 1,3-diazaazulene. Competitive pathways exist for loss of the 2 C atom and carbocyclic ring C atoms with HCN or CN• fragments. The 2nd general group of derivatives fragments by complete loss of the 5(6) substituent (NO2, Cl, CO2H, COMe) to give a common ion of m/e 117. The similar behavior of several 5(6)-alkenylbenzimidazoles implies fragmentation through a common m/e 143 ion which may result from a ring-expansion process similar to that of styrene. 13C-labeled compounds are used for common ion identification in all cases. In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6Electric Literature of C8H8N2).
7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Electric Literature of C8H8N2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem