Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices

Abstract Ultra high-resolution mass spectrometry (FT-ICR MS) coupled to electrospray ionization (ESI) provides unprecedented molecular characterization of complex matrices such as petroleum products. However, ESI faces major ionization competition phenomena that prevent the absolute quantification o...

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Autores principales:	Julie Guillemant, Marion Lacoue-Nègre, Alexandra Berlioz-Barbier, Florian Albrieux, Luis P. de Oliveira, Jean-François Joly, Ludovic Duponchel
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/2c3f776af1d94c92bef67c7e9e9a2496
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spelling	oai:doaj.org-article:2c3f776af1d94c92bef67c7e9e9a24962021-12-02T17:04:59ZTowards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices10.1038/s41598-021-85854-72045-2322https://doaj.org/article/2c3f776af1d94c92bef67c7e9e9a24962021-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-85854-7https://doaj.org/toc/2045-2322Abstract Ultra high-resolution mass spectrometry (FT-ICR MS) coupled to electrospray ionization (ESI) provides unprecedented molecular characterization of complex matrices such as petroleum products. However, ESI faces major ionization competition phenomena that prevent the absolute quantification of the compounds of interest. On the other hand, comprehensive two-dimensional gas chromatography (GC × GC) coupled to specific detectors (HRMS or NCD) is able to quantify the main families identified in these complex matrices. In this paper, this innovative dual approach has been used to evaluate the ionization response of nitrogen compounds in gas oils as a case study. To this extent, a large gas oil dataset has been analyzed by GC × GC/HRMS, GC × GC-NCD and ESI(+/−)-FT-ICR MS. Then, the concentrations obtained from GC × GC-NCD have been compared to those obtained from FT-ICR MS hence proving that strong ionization competitions are taking place and also depending on the origin of the sample. Finally, multilinear regressions (MLR) have been used to quantitatively predict nitrogen families from FT-ICR MS measurements as well as start rationalizing the ionization competition phenomena taking place between them in different types of gas oils.Julie GuillemantMarion Lacoue-NègreAlexandra Berlioz-BarbierFlorian AlbrieuxLuis P. de OliveiraJean-François JolyLudovic DuponchelNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Julie Guillemant Marion Lacoue-Nègre Alexandra Berlioz-Barbier Florian Albrieux Luis P. de Oliveira Jean-François Joly Ludovic Duponchel Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
description	Abstract Ultra high-resolution mass spectrometry (FT-ICR MS) coupled to electrospray ionization (ESI) provides unprecedented molecular characterization of complex matrices such as petroleum products. However, ESI faces major ionization competition phenomena that prevent the absolute quantification of the compounds of interest. On the other hand, comprehensive two-dimensional gas chromatography (GC × GC) coupled to specific detectors (HRMS or NCD) is able to quantify the main families identified in these complex matrices. In this paper, this innovative dual approach has been used to evaluate the ionization response of nitrogen compounds in gas oils as a case study. To this extent, a large gas oil dataset has been analyzed by GC × GC/HRMS, GC × GC-NCD and ESI(+/−)-FT-ICR MS. Then, the concentrations obtained from GC × GC-NCD have been compared to those obtained from FT-ICR MS hence proving that strong ionization competitions are taking place and also depending on the origin of the sample. Finally, multilinear regressions (MLR) have been used to quantitatively predict nitrogen families from FT-ICR MS measurements as well as start rationalizing the ionization competition phenomena taking place between them in different types of gas oils.
format	article
author	Julie Guillemant Marion Lacoue-Nègre Alexandra Berlioz-Barbier Florian Albrieux Luis P. de Oliveira Jean-François Joly Ludovic Duponchel
author_facet	Julie Guillemant Marion Lacoue-Nègre Alexandra Berlioz-Barbier Florian Albrieux Luis P. de Oliveira Jean-François Joly Ludovic Duponchel
author_sort	Julie Guillemant
title	Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
title_short	Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
title_full	Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
title_fullStr	Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
title_full_unstemmed	Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
title_sort	towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/2c3f776af1d94c92bef67c7e9e9a2496
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Towards a new pseudo-quantitative approach to evaluate the ionization response of nitrogen compounds in complex matrices

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