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Mapping the complex metastable fragmentation pathways of excited 3-aminophenol
This work applies the technique of mapping ion detection using a reflectron mass spectrometer against flight-time and reflection voltage to elucidate the complex metastable fragmentation pattern of the biomolecular ion 3-aminophenol+ (3-AP+, C6H7NO+). Multi-photon ionization experiments revealed the...
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Published in: | International journal of mass spectrometry 2019-08, Vol.442, p.95-101 |
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Main Authors: | , , , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | This work applies the technique of mapping ion detection using a reflectron mass spectrometer against flight-time and reflection voltage to elucidate the complex metastable fragmentation pattern of the biomolecular ion 3-aminophenol+ (3-AP+, C6H7NO+). Multi-photon ionization experiments revealed the excited ion's fragmentation routes for the first time and comparisons with calculated flight-times enabled 18 different μs-timescale dissociations to be assigned. These included the rare observation of a double hydrogen loss channel from a fragment ion. DFT calculations provided further insights into the most prominent apparent fragmentation sequence: 3-AP+ (m/z 109) → HCO + C5H6N+ (m/z 80) → CNH + C4H5+ (m/z 53) → C2H2 + C2H3+ (m/z 27).
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•2D mapping reveals an exceptionally rich metastable dissociation pattern of 3AP+.•Double hydrogen loss has been detected from a fragment ion – a rare observation.•Ab initio calculations elucidated the strongest apparent fragmentation sequence. |
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ISSN: | 1387-3806 1873-2798 |
DOI: | 10.1016/j.ijms.2019.05.006 |