Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS

Forced degradation of toloxatone in solutions under basic, acidic, neutral, photo UV–VIS, photo UVC and oxidative stress conditions was investigated and structural elucidation of its degradation products was performed with the use of UHPLC system coupled ESI-Q-TOF mass spectrometer. Eight degradatio...

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Autores principales: Skibiński, Robert, Trawiński, Jakub, Komsta, Łukasz, Murzec, Diana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5961754/
https://www.ncbi.nlm.nih.gov/pubmed/29844717
http://dx.doi.org/10.1016/j.jsps.2018.02.012
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author Skibiński, Robert
Trawiński, Jakub
Komsta, Łukasz
Murzec, Diana
author_facet Skibiński, Robert
Trawiński, Jakub
Komsta, Łukasz
Murzec, Diana
author_sort Skibiński, Robert
collection PubMed
description Forced degradation of toloxatone in solutions under basic, acidic, neutral, photo UV–VIS, photo UVC and oxidative stress conditions was investigated and structural elucidation of its degradation products was performed with the use of UHPLC system coupled ESI-Q-TOF mass spectrometer. Eight degradation products were found and their masses and formulas were obtained with high accuracy (0.09–3.79 ppm). The structure of unknown degradation products were elucidated from MS/MS fragmentation spectra of all analyzed compounds. Additionally, whole signals of decomposed substances were compared chemometrically. It was found that toloxatone is fragile towards basic hydrolysis, oxidative conditions and UVC irradiation. Finally, the toxicity of transformation products was computationally evaluated and compared in multivariate manner.
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spelling pubmed-59617542018-05-29 Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS Skibiński, Robert Trawiński, Jakub Komsta, Łukasz Murzec, Diana Saudi Pharm J Article Forced degradation of toloxatone in solutions under basic, acidic, neutral, photo UV–VIS, photo UVC and oxidative stress conditions was investigated and structural elucidation of its degradation products was performed with the use of UHPLC system coupled ESI-Q-TOF mass spectrometer. Eight degradation products were found and their masses and formulas were obtained with high accuracy (0.09–3.79 ppm). The structure of unknown degradation products were elucidated from MS/MS fragmentation spectra of all analyzed compounds. Additionally, whole signals of decomposed substances were compared chemometrically. It was found that toloxatone is fragile towards basic hydrolysis, oxidative conditions and UVC irradiation. Finally, the toxicity of transformation products was computationally evaluated and compared in multivariate manner. Elsevier 2018-05 2018-02-06 /pmc/articles/PMC5961754/ /pubmed/29844717 http://dx.doi.org/10.1016/j.jsps.2018.02.012 Text en © 2018 The Authors http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Article
Skibiński, Robert
Trawiński, Jakub
Komsta, Łukasz
Murzec, Diana
Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS
title Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS
title_full Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS
title_fullStr Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS
title_full_unstemmed Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS
title_short Characterization of forced degradation products of toloxatone by LC-ESI-MS/MS
title_sort characterization of forced degradation products of toloxatone by lc-esi-ms/ms
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5961754/
https://www.ncbi.nlm.nih.gov/pubmed/29844717
http://dx.doi.org/10.1016/j.jsps.2018.02.012
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