Protonation sites and fragmentations of para-aminophenol

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F13%3A10159275" target="_blank" >RIV/00216208:11310/13:10159275 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/13:33147260 RIV/00216275:25310/13:39895861
Result on the web
<a href="http://dx.doi.org/10.1016/j.ijms.2012.12.007" target="_blank" >http://dx.doi.org/10.1016/j.ijms.2012.12.007</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ijms.2012.12.007" target="_blank" >10.1016/j.ijms.2012.12.007</a>

Result language
angličtina
Original language name
Protonation sites and fragmentations of para-aminophenol
Original language description
Structure and unimolecular reactivity of protonated para-aminophenol generated by the electrospray ionization were studied by means of mass spectrometry, IRMPD spectroscopy and DFT calculation. It is revealed that protonation of para-aminophenol takes place at the nitrogen atom. Under the conditions of the IRMPD experiment, thermodynamically favored elimination of the water molecule is observed, whereas under the CID experiment kinetically favored elimination of ammonia prevails. The IRMPD spectrum as well as all fragmentation pathways are rationalized based on DFT calculations.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
—

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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