Mass spectra of 2-thioxo-pyrimidine derivatives were measured and their fragmentation mechanisms were elucidated with the aid of the shift of peaks by substituents and by the deuterium labeling, and with the aid of metastable peaks. Samples tested were(1)6-alkyl or aryl-5-cyano-4-oxo-2-thioxo-1, 2, 3, 4-tetrahydropyrimidine derivatives, (2)6-alkyl or aryl-5-cyano-2, 4-dioxo-1, 2, 3, 4-tetrahydropyrimidine derivativees, (3)6-aryl-4-imino-5-cyano-2-thioxo-1, 2, 3, 4-tetrahydropyrimidine derivatives, (4)6-alkyl or aryl-5-cyano-4-oxo-2-thioxo-1, 2, 3, 4, 5, 6-hexahydropyrimidine derivatives. The characterisitic fragmentation for the 1, 2, 3, 4-tetrahydropyrimidine derivatives was RDA-cleavage. The 4-imino-substituent complicated the fragmentation mechanisms. 1, 2, 3, 4, 5, 6-Hexahydropyrimidinederivatives showed mass spectra quite different from those of 1, 2, 3, 4-tetrahydropyrimidines.
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