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 AuthorsE. Itälä, K. Tanzer, S. Granroth, K. Kooser, S. Denifl, E. Kukk

PublisherWILEY

Publication year2017

JournalJournal of Mass Spectrometry

Journal name in sourceJOURNAL OF MASS SPECTROMETRY

Journal acronymJ MASS SPECTROM

Volume number52

Issue number11

Start page770

End page776

Number of pages7

ISSN1076-5174

eISSN1096-9888

DOIhttp://dx.doi.org/10.1002/jms.3979

Self-archived copy’s web addresshttps://research.utu.fi/converis/portal/detail/Publication/27777134


Abstract
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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Last updated on 2022-07-04 at 16:37