1. Selectivity in fragmentation of N-methylacetamide after resonant K-shell excitation
- Author
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Vitali Zhaunerchyk, Robert Richter, John H. D. Eland, Richard J. Squibb, Raimund Feifel, Michele Alagia, Magdalena Kaminska, Peter van der Meulen, Stefano Stranges, and Peter Salén
- Subjects
peptide model system ,Electron shell ,General Physics and Astronomy ,Dissociation (chemistry) ,Ion ,NEXAFS ,Fragmentation (mass spectrometry) ,Acetamides ,Peptide bond ,photo-fragmentation ,Fysik ,ion TOF mass spectrometry ,Physical and Theoretical Chemistry ,Spectroscopy ,methylacetamide ,synchrotron radiation ,Ions ,Quantitative Biology::Biomolecules ,Chemistry ,XANES ,Peptide Fragments ,X-Ray Absorption Spectroscopy ,Models, Chemical ,Physical Sciences ,Atomic physics ,Excitation - Abstract
The fragmentation pattern of the peptide model system, N-methylacetamide, is investigated using ion time-of-flight (TOF) spectroscopy after resonant K-shell excitation. Corresponding near-edge X-ray absorption fine structure (NEXAFS) spectra recorded at high resolution at the C1s, N1s and O1s edges are presented. Analysis of the ion TOF data reveals a multitude of fragmentation channels and dissociation pathways. Comparison between the excitation of six different resonances in the vicinity of the C1s, N1s and O1s edges suggests evidence for site-selective bond breaking. In particular the breaking of the peptide bond and the N-C-alpha bond show a clear correlation with resonant excitation at the N1s edge. Also, stronger tendencies towards site-selective bond breaking are found for the generation of single ions compared with ion pairs. Analysis of angular distributions of ions from breakage of the peptide bond yields a fragmentation time of
- Published
- 2014
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