Refereed journal article or data article (A1)
Fragmentation patterns of 4(5)-nitroimidazole and 1-methyl-5-nitroimidazole - The effect of the methylation
List of Authors: E. Itälä, K. Tanzer, S. Granroth, K. Kooser, S. Denifl, E. Kukk
Publisher: WILEY
Publication year: 2017
Journal: Journal of Mass Spectrometry
Journal name in source: JOURNAL OF MASS SPECTROMETRY
Journal acronym: J MASS SPECTROM
Volume number: 52
Issue number: 11
Start page: 770
End page: 776
Number of pages: 7
ISSN: 1076-5174
eISSN: 1096-9888
DOI: http://dx.doi.org/10.1002/jms.3979
Self-archived copy’s web address: https://research.utu.fi/converis/portal/detail/Publication/27777134
We present here the photofragmentation patterns of doubly ionized 4(5)-nitroimidazole and 1-methyl-5-nitroimidazole. The doubly ionized state was created by core ionizing the C 1s orbitals of the samples, rapidly followed by Auger decay. Due to the recent development of nitroimidazole-based radiosensitizing drugs, core ionization was selected as it represents the very same processes taking place under the irradiation with medical X-rays. In addition to the fragmentation patterns of the sample, we study the effects of methylation on the fragmentation patterns of nitroimidazoles. We found that methylation alters the fragmentation significantly, especially the charge distribution between the final fragments. The most characteristic feature of the methylation is that it effectively quenches the production of NO and NO+, widely regarded as key radicals in the chemistry of radiosensitization by the nitroimidazoles.
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