A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes

Autores
Butler, Matias; Cabrera, Gabriela Myriam
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A series of 11 pairs of substituted pyrazine N-oxides, differing in the substituent position, were examined using electrospray ionization mass spectrometry (ESI-MS) in order to use spectra to assess the differentiation of positional isomers. For each compound, mass spectra were recorded with three different metal cations, namely calcium (II), copper (II) and aluminum (III), with characterization of the observed peaks. Differentiation between regioisomeric N-oxides has been achieved by comparison of the identity and relative intensities of the peaks originating from the adduct ions formed with the metal ions. Principal component analysis (PCA) has been employed to assist in the interpretation of the results obtained with each metal ion, exploring possible trends according to the nature and position of the substituent in the pyrazine N-oxide.
Fil: Butler, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad de Microanálisis y Métodos Físicos en Química Orgánica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Unidad de Microanálisis y Métodos Físicos en Química Orgánica; Argentina
Fil: Cabrera, Gabriela Myriam. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad de Microanálisis y Métodos Físicos en Química Orgánica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Unidad de Microanálisis y Métodos Físicos en Química Orgánica; Argentina
Materia
Pyrazine N-Oxides
Positional Isomers
Electrospray
Metal Complexation
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/18680
Acceder
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spelling A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexesButler, MatiasCabrera, Gabriela MyriamPyrazine N-OxidesPositional IsomersElectrosprayMetal Complexationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A series of 11 pairs of substituted pyrazine N-oxides, differing in the substituent position, were examined using electrospray ionization mass spectrometry (ESI-MS) in order to use spectra to assess the differentiation of positional isomers. For each compound, mass spectra were recorded with three different metal cations, namely calcium (II), copper (II) and aluminum (III), with characterization of the observed peaks. Differentiation between regioisomeric N-oxides has been achieved by comparison of the identity and relative intensities of the peaks originating from the adduct ions formed with the metal ions. Principal component analysis (PCA) has been employed to assist in the interpretation of the results obtained with each metal ion, exploring possible trends according to the nature and position of the substituent in the pyrazine N-oxide.Fil: Butler, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad de Microanálisis y Métodos Físicos en Química Orgánica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Unidad de Microanálisis y Métodos Físicos en Química Orgánica; ArgentinaFil: Cabrera, Gabriela Myriam. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad de Microanálisis y Métodos Físicos en Química Orgánica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Unidad de Microanálisis y Métodos Físicos en Química Orgánica; ArgentinaWiley2015-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/18680Butler, Matias; Cabrera, Gabriela Myriam; A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes; Wiley; Journal of Mass Spectrometry; 50; 1; 1-2015; 136-1441076-5174CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/jms.3506info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/jms.3506/abstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:09:20Zoai:ri.conicet.gov.ar:11336/18680instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:09:20.462CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
title A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
spellingShingle A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
Butler, Matias
Pyrazine N-Oxides
Positional Isomers
Electrospray
Metal Complexation
title_short A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
title_full A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
title_fullStr A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
title_full_unstemmed A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
title_sort A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
dc.creator.none.fl_str_mv Butler, Matias
Cabrera, Gabriela Myriam
author Butler, Matias
author_facet Butler, Matias
Cabrera, Gabriela Myriam
author_role author
author2 Cabrera, Gabriela Myriam
author2_role author
dc.subject.none.fl_str_mv Pyrazine N-Oxides
Positional Isomers
Electrospray
Metal Complexation
topic Pyrazine N-Oxides
Positional Isomers
Electrospray
Metal Complexation
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A series of 11 pairs of substituted pyrazine N-oxides, differing in the substituent position, were examined using electrospray ionization mass spectrometry (ESI-MS) in order to use spectra to assess the differentiation of positional isomers. For each compound, mass spectra were recorded with three different metal cations, namely calcium (II), copper (II) and aluminum (III), with characterization of the observed peaks. Differentiation between regioisomeric N-oxides has been achieved by comparison of the identity and relative intensities of the peaks originating from the adduct ions formed with the metal ions. Principal component analysis (PCA) has been employed to assist in the interpretation of the results obtained with each metal ion, exploring possible trends according to the nature and position of the substituent in the pyrazine N-oxide.
Fil: Butler, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad de Microanálisis y Métodos Físicos en Química Orgánica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Unidad de Microanálisis y Métodos Físicos en Química Orgánica; Argentina
Fil: Cabrera, Gabriela Myriam. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad de Microanálisis y Métodos Físicos en Química Orgánica. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Unidad de Microanálisis y Métodos Físicos en Química Orgánica; Argentina
description A series of 11 pairs of substituted pyrazine N-oxides, differing in the substituent position, were examined using electrospray ionization mass spectrometry (ESI-MS) in order to use spectra to assess the differentiation of positional isomers. For each compound, mass spectra were recorded with three different metal cations, namely calcium (II), copper (II) and aluminum (III), with characterization of the observed peaks. Differentiation between regioisomeric N-oxides has been achieved by comparison of the identity and relative intensities of the peaks originating from the adduct ions formed with the metal ions. Principal component analysis (PCA) has been employed to assist in the interpretation of the results obtained with each metal ion, exploring possible trends according to the nature and position of the substituent in the pyrazine N-oxide.
publishDate 2015
dc.date.none.fl_str_mv 2015-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/18680
Butler, Matias; Cabrera, Gabriela Myriam; A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes; Wiley; Journal of Mass Spectrometry; 50; 1; 1-2015; 136-144
1076-5174
CONICET Digital
CONICET
url http://hdl.handle.net/11336/18680
identifier_str_mv Butler, Matias; Cabrera, Gabriela Myriam; A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes; Wiley; Journal of Mass Spectrometry; 50; 1; 1-2015; 136-144
1076-5174
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/jms.3506
info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/jms.3506/abstract
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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