APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR

Detalhes bibliográficos
Autor(a) principal: Tose,Lilian V.
Data de Publicação: 2019
Outros Autores: Silva,Samantha R. C., Barros,Eliane V., Souza,Lindamara M., Pinto,Fernanda E., Palomino,Debora K., Freitas,Jair C. C., Thompson,Christopher J., Vaz,Boniek G., Lacerda Jr.,Valdemar, Romão,Wanderson
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000500997
Resumo: Hydrocarbons present in saturated fractions of crude oils can be assessed by atmospheric pressure chemical ionization (APCI) using small hydrocarbons as ionizing reagents in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). In this work, five paraffin standards of different average molar mass distributions (Mw) were easily ionized by APCI(+)FT-ICR MS using isooctane as the reagent gas. Data of Mw, carbon number and double bond equivalent (DBE) distributions corresponding to linear and cyclic hydrocarbons (HCs) were compared to results obtained from analysis of high temperature gas chromatography with a flame ionization detector (HTGC-FID), comprehensive two-dimensional gas chromatography coupled to mass spectrometry (GC×GC-MS) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. APCI(+)FT-ICR MS data showed good agreement with those of analytical techniques. Furthermore, the ability of APCI(+) to assess n-paraffin, even in blends with polyaromatic hydrocarbon molecules such as coronene (Mw = 301 Da) at concentrations from 2.5 to 25 µg mL-1, was demonstrated. The typical MS paraffin profile (containing repeating mass units of 14 Da) was clearly confirmed, being totally suppressed when a concentration of 25 µg mL-1 of coronene was used. This phenomenon was also evidenced in one of two saturated fractions produced using saturates, aromatics and polar (SAP) compound fractionation methodology.
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spelling APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMRAPCI(+)FT-ICR MSparaffinHTGCGC×GC-MSNMRHydrocarbons present in saturated fractions of crude oils can be assessed by atmospheric pressure chemical ionization (APCI) using small hydrocarbons as ionizing reagents in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). In this work, five paraffin standards of different average molar mass distributions (Mw) were easily ionized by APCI(+)FT-ICR MS using isooctane as the reagent gas. Data of Mw, carbon number and double bond equivalent (DBE) distributions corresponding to linear and cyclic hydrocarbons (HCs) were compared to results obtained from analysis of high temperature gas chromatography with a flame ionization detector (HTGC-FID), comprehensive two-dimensional gas chromatography coupled to mass spectrometry (GC×GC-MS) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. APCI(+)FT-ICR MS data showed good agreement with those of analytical techniques. Furthermore, the ability of APCI(+) to assess n-paraffin, even in blends with polyaromatic hydrocarbon molecules such as coronene (Mw = 301 Da) at concentrations from 2.5 to 25 µg mL-1, was demonstrated. The typical MS paraffin profile (containing repeating mass units of 14 Da) was clearly confirmed, being totally suppressed when a concentration of 25 µg mL-1 of coronene was used. This phenomenon was also evidenced in one of two saturated fractions produced using saturates, aromatics and polar (SAP) compound fractionation methodology.Sociedade Brasileira de Química2019-05-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000500997Journal of the Brazilian Chemical Society v.30 n.5 2019reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20180249info:eu-repo/semantics/openAccessTose,Lilian V.Silva,Samantha R. C.Barros,Eliane V.Souza,Lindamara M.Pinto,Fernanda E.Palomino,Debora K.Freitas,Jair C. C.Thompson,Christopher J.Vaz,Boniek G.Lacerda Jr.,ValdemarRomão,Wandersoneng2019-04-02T00:00:00Zoai:scielo:S0103-50532019000500997Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2019-04-02T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
title APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
spellingShingle APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
Tose,Lilian V.
APCI(+)FT-ICR MS
paraffin
HTGC
GC×GC-MS
NMR
title_short APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
title_full APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
title_fullStr APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
title_full_unstemmed APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
title_sort APCI(+)FT-ICR MS Analysis of Hydrocarbons Using Isooctane as Ionizing Reagent - A Comparison with HTGC-FID, GC×GC-MS and NMR
author Tose,Lilian V.
author_facet Tose,Lilian V.
Silva,Samantha R. C.
Barros,Eliane V.
Souza,Lindamara M.
Pinto,Fernanda E.
Palomino,Debora K.
Freitas,Jair C. C.
Thompson,Christopher J.
Vaz,Boniek G.
Lacerda Jr.,Valdemar
Romão,Wanderson
author_role author
author2 Silva,Samantha R. C.
Barros,Eliane V.
Souza,Lindamara M.
Pinto,Fernanda E.
Palomino,Debora K.
Freitas,Jair C. C.
Thompson,Christopher J.
Vaz,Boniek G.
Lacerda Jr.,Valdemar
Romão,Wanderson
author2_role author
author
author
author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Tose,Lilian V.
Silva,Samantha R. C.
Barros,Eliane V.
Souza,Lindamara M.
Pinto,Fernanda E.
Palomino,Debora K.
Freitas,Jair C. C.
Thompson,Christopher J.
Vaz,Boniek G.
Lacerda Jr.,Valdemar
Romão,Wanderson
dc.subject.por.fl_str_mv APCI(+)FT-ICR MS
paraffin
HTGC
GC×GC-MS
NMR
topic APCI(+)FT-ICR MS
paraffin
HTGC
GC×GC-MS
NMR
description Hydrocarbons present in saturated fractions of crude oils can be assessed by atmospheric pressure chemical ionization (APCI) using small hydrocarbons as ionizing reagents in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). In this work, five paraffin standards of different average molar mass distributions (Mw) were easily ionized by APCI(+)FT-ICR MS using isooctane as the reagent gas. Data of Mw, carbon number and double bond equivalent (DBE) distributions corresponding to linear and cyclic hydrocarbons (HCs) were compared to results obtained from analysis of high temperature gas chromatography with a flame ionization detector (HTGC-FID), comprehensive two-dimensional gas chromatography coupled to mass spectrometry (GC×GC-MS) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. APCI(+)FT-ICR MS data showed good agreement with those of analytical techniques. Furthermore, the ability of APCI(+) to assess n-paraffin, even in blends with polyaromatic hydrocarbon molecules such as coronene (Mw = 301 Da) at concentrations from 2.5 to 25 µg mL-1, was demonstrated. The typical MS paraffin profile (containing repeating mass units of 14 Da) was clearly confirmed, being totally suppressed when a concentration of 25 µg mL-1 of coronene was used. This phenomenon was also evidenced in one of two saturated fractions produced using saturates, aromatics and polar (SAP) compound fractionation methodology.
publishDate 2019
dc.date.none.fl_str_mv 2019-05-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000500997
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000500997
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.21577/0103-5053.20180249
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.30 n.5 2019
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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