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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 themetal 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. Copyright © 2015 John Wiley & Sons, Ltd.


Documento: Artículo
Título:A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes
Autor:Butler, M.; Cabrera, G.M.
Filiación:Departamento de Química Orgánica, UMyMFOR-CONICET, Universidad de Buenos Aires, Pabellón II, 30 piso, Buenos Aires, C1428EHA, Argentina
Palabras clave:Electrospray; Metal complexation; Positional isomers; Principal component analysis (PCA); Pyrazine N-oxides; Electrodeposition; Electrospray ionization; Isomers; Mass spectrometry; Metal ions; Metals; Spectrometry; Electrospray ionization mass spectrometry; Electrosprays; Mass spectra; Metal complexation; Metal-ion complexes; N-Oxides; Positional isomers; Relative intensity; Principal component analysis; aluminum; calcium ion; copper ion; metal complex; metal ion; oxide; pyrazine; coordination compound; copper; oxide; pyrazine derivative; Article; complex formation; electrospray mass spectrometry; isomer; molecule; principal component analysis; priority journal; chemistry; electrospray mass spectrometry; isomerism; procedures; Aluminum; Coordination Complexes; Copper; Isomerism; Oxides; Principal Component Analysis; Pyrazines; Spectrometry, Mass, Electrospray Ionization
Página de inicio:136
Página de fin:144
Título revista:Journal of Mass Spectrometry
Título revista abreviado:J. Mass Spectrom.
CAS:aluminum, 7429-90-5; calcium ion, 14127-61-8; oxide, 16833-27-5; pyrazine, 290-37-9; copper, 15158-11-9, 7440-50-8; Aluminum; Coordination Complexes; Copper; Oxides; Pyrazines


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---------- APA ----------
Butler, M. & Cabrera, G.M. (2015) . A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes. Journal of Mass Spectrometry, 50(1), 136-144.
---------- CHICAGO ----------
Butler, M., Cabrera, G.M. "A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes" . Journal of Mass Spectrometry 50, no. 1 (2015) : 136-144.
---------- MLA ----------
Butler, M., Cabrera, G.M. "A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes" . Journal of Mass Spectrometry, vol. 50, no. 1, 2015, pp. 136-144.
---------- VANCOUVER ----------
Butler, M., Cabrera, G.M. A mass spectrometry-based method for differentiation of positional isomers of monosubstituted pyrazine N-oxides using metal ion complexes. J. Mass Spectrom. 2015;50(1):136-144.