CI(+)FT-ICR MS analysis of hydrocarbons using isooctane as ionizing reagent - A comparison with HTGC-FID, GC×GC-MS and NMR
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2019
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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 1
H 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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APCI(+)FT-ICR MS, Paraffin, HTGC, GC×GC-MS, NMR
Citação
TOSE, Lilian V. et al. CI(+)FT-ICR MS analysis of hydrocarbons using isooctane as ionizing reagent - A comparison with HTGC-FID, GC×GC-MS and NMR. Journal of the Brazilian Chemical Society, Campinas, v. 30, n. 5, p. 997-1009, 2019. DOI: 10.21577/0103-5053.20180249. Disponível em: https://s3.sa-east-1.amazonaws.com/static.sites.sbq.org.br/jbcs.sbq.org.br/pdf/2018-0442AR.pdf. Acesso em: 21 jun. 2023.