Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis

Handle URI:
http://hdl.handle.net/10754/563030
Title:
Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis
Authors:
Hourani, Nadim ( 0000-0003-4272-5395 ) ; Andersson, Jan T.; Möller, Isabelle; Amad, Maan H.; Witt, Matthías; Sarathy, Mani ( 0000-0002-3975-6206 )
Abstract:
Rationale Polycyclic aromatic sulfur heterocycles (PASHs) are detrimental species for refining processes in petroleum industry. Current mass spectrometric Methods that determine their composition are often preceded by derivatization and dopant addition approaches. Different ionization Methods have different impact on the molecular assignment of complex PASHs. The analysis of such species under atmospheric pressure chemical ionization (APCI) is still considered limited due to uncontrolled ion generation with low- and high-mass PASHs. Methods The ionization behavior of a model mixture of five selected PASH standards was investigated using an APCI source with nitrogen as the reagent gas. A complex thiophenic fraction was separated from a vacuum gas oil (VGO) and injected using the same method. The samples were analyzed using Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). RESULTS PASH model analytes were successfully ionized and mainly [M + H]+ ions were produced. The same ionization pattern was observed for the real thiophenic sample. It was found that S1 class species were the major sulfur-containing species found in the VGO sample. These species indicated the presence of alkylated benzothiophenic (BT), dibenzothiophenic (DBT) and benzonaphthothiophenic (BNT) series that were detected by APCI-FTICR MS. CONCLUSIONS This study provides an established APCI-FTICR MS method for the analysis of complex PASHs. PASHs were detected without using any derivatization and without fragmentation. The method can be used for the analysis of S-containing crude oil samples. © 2013 John Wiley & Sons, Ltd.
KAUST Department:
Clean Combustion Research Center; Analytical Core Lab; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Core Labs
Publisher:
Wiley-Blackwell
Journal:
Rapid Communications in Mass Spectrometry
Issue Date:
1-Oct-2013
DOI:
10.1002/rcm.6707
Type:
Article
ISSN:
09514198
Sponsors:
The work at KAUST was funded by the Clean Combustion Research Center and by Saudi Aramco under the FUELCOM program.
Appears in Collections:
Articles; Analytical Core Lab; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorHourani, Nadimen
dc.contributor.authorAndersson, Jan T.en
dc.contributor.authorMöller, Isabelleen
dc.contributor.authorAmad, Maan H.en
dc.contributor.authorWitt, Matthíasen
dc.contributor.authorSarathy, Manien
dc.date.accessioned2015-08-03T11:34:07Zen
dc.date.available2015-08-03T11:34:07Zen
dc.date.issued2013-10-01en
dc.identifier.issn09514198en
dc.identifier.doi10.1002/rcm.6707en
dc.identifier.urihttp://hdl.handle.net/10754/563030en
dc.description.abstractRationale Polycyclic aromatic sulfur heterocycles (PASHs) are detrimental species for refining processes in petroleum industry. Current mass spectrometric Methods that determine their composition are often preceded by derivatization and dopant addition approaches. Different ionization Methods have different impact on the molecular assignment of complex PASHs. The analysis of such species under atmospheric pressure chemical ionization (APCI) is still considered limited due to uncontrolled ion generation with low- and high-mass PASHs. Methods The ionization behavior of a model mixture of five selected PASH standards was investigated using an APCI source with nitrogen as the reagent gas. A complex thiophenic fraction was separated from a vacuum gas oil (VGO) and injected using the same method. The samples were analyzed using Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS). RESULTS PASH model analytes were successfully ionized and mainly [M + H]+ ions were produced. The same ionization pattern was observed for the real thiophenic sample. It was found that S1 class species were the major sulfur-containing species found in the VGO sample. These species indicated the presence of alkylated benzothiophenic (BT), dibenzothiophenic (DBT) and benzonaphthothiophenic (BNT) series that were detected by APCI-FTICR MS. CONCLUSIONS This study provides an established APCI-FTICR MS method for the analysis of complex PASHs. PASHs were detected without using any derivatization and without fragmentation. The method can be used for the analysis of S-containing crude oil samples. © 2013 John Wiley & Sons, Ltd.en
dc.description.sponsorshipThe work at KAUST was funded by the Clean Combustion Research Center and by Saudi Aramco under the FUELCOM program.en
dc.publisherWiley-Blackwellen
dc.titleAtmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysisen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentAnalytical Core Laben
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical and Biological Engineering Programen
dc.contributor.departmentCore Labsen
dc.identifier.journalRapid Communications in Mass Spectrometryen
dc.contributor.institutionInstitute of Inorganic and Analytical Chemistry, University of Muenster, Corrensstrasse 30, 48149 Muenster, Germanyen
dc.contributor.institutionBruker Daltonik GmbH, Fahrenheitstr. 4, 28359 Bremen, Germanyen
kaust.authorHourani, Nadimen
kaust.authorAmad, Maan H.en
kaust.authorSarathy, Manien
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