title: Determination of aromatic sulphur compounds in heavy gas oil by using (low-)flow modulated comprehensive two-dimensional gas chromatography-triple quadrupole mass spectrometry.
abstract: The present research is focused on the development of a flow-modulated comprehensive two-dimensional gas chromatography-triple quadrupole mass spectrometry (FM GC × GC-MS/MS) method for the determination of classes of aromatic organic sulphur compounds (benzothiophenes, dibenzothiophenes, and benzonaphthothiophene) in heavy gas oil (HGO). The MS/MS instrument was used to provide both full-scan and multiple-reaction-monitoring (MRM) data. Linear retention index (LRI) ranges were used to define the MRM windows for each chemical class. Calibration solutions (internal standard: 1-fluoronaphthalene) were prepared by using an HGO sample, depleted of S compounds. Calibration information was also derived for the thiophene class (along with MRM and LRI data), even though such constituents were not present in the HGO. Linearity was satisfactory over the analyzed concentration range (1-100 mg/L); intra-day precision for the lowest calibration point was always below 17%. Accuracy was also satisfactory, with a maximum percentage error of 3.5% (absolute value) found among the S classes subjected to (semi-)quantification. The highest limit of quantification was calculated to be 299 μg/L (for the C1-benzothiophene class), while the lowest was 21 μg/L (for the C4-benzothiophene class).
authors.affiliation: "Scienze del Farmaco e Prodotti per la Salute" Department, University of Messina, viale Annunziata, 98168 Messina, Italy.
authors.forename: Flavio Antonio
authors.initials: FA
authors.lastname: Franchina
authors.affiliation: Instituto de Química, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.
authors.forename: Maria Elisabete
authors.initials: ME
authors.lastname: Machado
authors.affiliation: "Scienze del Farmaco e Prodotti per la Salute" Department, University of Messina, viale Annunziata, 98168 Messina, Italy.
authors.forename: Peter Quinto
authors.initials: PQ
authors.lastname: Tranchida
authors.affiliation: Instituto de Química, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.
authors.forename: Cláudia Alcaraz
authors.initials: CA
authors.lastname: Zini
authors.affiliation: Instituto de Química, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil; INCT E&A: Instituto Nacional de Ciência e Tecnologia em Energia e Ambiente, RS, Brazil.
authors.forename: Elina Bastos
authors.initials: EB
authors.lastname: Caramão
authors.affiliation: "Scienze del Farmaco e Prodotti per la Salute" Department, University of Messina, viale Annunziata, 98168 Messina, Italy; University Campus Bio-Medico of Rome, Via Álvaro del Portillo 21, 00128 Roma, Italy; Chromaleont s.r.l., c/o "Scienze del Farmaco e Prodotti per la Salute" Department, University of Messina, viale Annunziata, 98168 Messina, Italy. Electronic address: lmondello@unime.it.
authors.forename: Luigi
authors.initials: L
authors.lastname: Mondello
mesh_terms: D002623:Chemistry Techniques, Analytical / Q000379:methods*; D008401:Gas Chromatography-Mass Spectrometry; D009821:Oils / Q000737:chemistry*; D013457:Sulfur Compounds / Q000032:analysis*
chemical_list: D009821:Oils; D013457:Sulfur Compounds
keywords: Aromatic sulphur compounds; Comprehensive two-dimensional gas chromatography; Flow modulation; Heavy gas oil; Multiple-reaction-monitoring (MRM); Triple quadrupole mass spectrometry