期刊
JOURNAL OF MASS SPECTROMETRY
卷 57, 期 9, 页码 -出版社
WILEY
DOI: 10.1002/jms.4883
关键词
CID; fragmentation; hydrogen deuterium exchange; MS; MS; pyrimidine derivatives
This study demonstrates that the formation of major fragment ions from protonated species of pyrimidine derivatives can be governed by two competitive pathways, largely affected by the 2-O-methyl group but not significantly influenced by the substitution on the C-5 site of the pyrimidine ring. These findings are supported by both experimental and theoretical calculations.
Several representative pyrimidine derivatives were selected to undergo electrospray ionization (ESI) followed by collision-induced dissociation tandem mass spectrometry (CID MS/MS) experiments. Two competitive pathways were found to govern the formation of major fragment ions from protonated species of these molecules. The pathways were largely affected by the 2-O-methyl group but not significantly influenced by the substitution on C-5 site of the pyrimidine ring. These findings were supported by both deuterium labeling CID MS/MS experiments and theoretical calculations. The deuterium labeled pyrimidine ion molecules were generated in-source in ESI from the fully deuterated hydrazinyl pyrimidines, which were readily obtained through hydrogen/deuterium (H/D) exchange when dissolved in deuterium oxide (D2O).
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