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Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds

The ionization and fragmentation patterns of 24 compounds with elemental composition of C(m)H(2m)O(2), including isomeric esters and alkanoic acids, were investigated by atmospheric pressure corona discharge ionization collision-induced dissociation (CID) mass spectrometry in the positive-ion mode....

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Detalles Bibliográficos
Autores principales: Nishikido, Yuto, Sekimoto, Kanako
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Mass Spectrometry Society of Japan 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10394427/
https://www.ncbi.nlm.nih.gov/pubmed/37538446
http://dx.doi.org/10.5702/massspectrometry.A0127
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author Nishikido, Yuto
Sekimoto, Kanako
author_facet Nishikido, Yuto
Sekimoto, Kanako
author_sort Nishikido, Yuto
collection PubMed
description The ionization and fragmentation patterns of 24 compounds with elemental composition of C(m)H(2m)O(2), including isomeric esters and alkanoic acids, were investigated by atmospheric pressure corona discharge ionization collision-induced dissociation (CID) mass spectrometry in the positive-ion mode. All compounds were ionized as protonated molecules and NH(4)(+) adducts. In addition, fragment ions were observed in mass spectra of esters other than methyl esters, which are owing to the dissociation of the alkyl group in the alcohol side from the protonated molecules. In CID spectra, protonated alkanoic acids/methyl esters split off H(2)O/CH(3)OH and CO or the alkyl group in the acid side, depending on the carbon chain length. Protonated esters (other than methyl esters) mainly fragmented the alkyl group in the alcohol side. These general rules on ionization and fragmentation patterns can provide relevant information on the discrimination of isomers.
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spelling pubmed-103944272023-08-03 Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds Nishikido, Yuto Sekimoto, Kanako Mass Spectrom (Tokyo) Original Article The ionization and fragmentation patterns of 24 compounds with elemental composition of C(m)H(2m)O(2), including isomeric esters and alkanoic acids, were investigated by atmospheric pressure corona discharge ionization collision-induced dissociation (CID) mass spectrometry in the positive-ion mode. All compounds were ionized as protonated molecules and NH(4)(+) adducts. In addition, fragment ions were observed in mass spectra of esters other than methyl esters, which are owing to the dissociation of the alkyl group in the alcohol side from the protonated molecules. In CID spectra, protonated alkanoic acids/methyl esters split off H(2)O/CH(3)OH and CO or the alkyl group in the acid side, depending on the carbon chain length. Protonated esters (other than methyl esters) mainly fragmented the alkyl group in the alcohol side. These general rules on ionization and fragmentation patterns can provide relevant information on the discrimination of isomers. The Mass Spectrometry Society of Japan 2023 2023-07-29 /pmc/articles/PMC10394427/ /pubmed/37538446 http://dx.doi.org/10.5702/massspectrometry.A0127 Text en Copyright @ 2023 Yuto Nishikido and Kanako Sekimoto. https://creativecommons.org/licenses/by-nc/4.0/This is an open-access article distributed under the terms of Creative Commons Attribution Non-Commercial 4.0 International License, which permits use, distribution, and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Original Article
Nishikido, Yuto
Sekimoto, Kanako
Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds
title Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds
title_full Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds
title_fullStr Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds
title_full_unstemmed Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds
title_short Analysis of Volatile Esters and Alkanoic Acids by an Atmospheric Pressure Corona Discharge Ionization Collision-Induced Dissociation Mass Spectrometry in Positive-Ion Mode: Ionization, Fragmentation Patterns, and Discrimination between Isomeric Compounds
title_sort analysis of volatile esters and alkanoic acids by an atmospheric pressure corona discharge ionization collision-induced dissociation mass spectrometry in positive-ion mode: ionization, fragmentation patterns, and discrimination between isomeric compounds
topic Original Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10394427/
https://www.ncbi.nlm.nih.gov/pubmed/37538446
http://dx.doi.org/10.5702/massspectrometry.A0127
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