A Positive-Ion Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Study of Russian and North Sea Crude Oils and Their Six Distillation Fractions

Abstract

This paper discusses an FT-ICR mass spectrometry study of Russian and North Sea crude oils and their six distillation fractions (260–310, 310–360, 360–410, 410–460, 460–510, and 510–560 °C) by positive electrospray ionization (ESI) mode. Only one major heteroatom class, N class (pyridine benzologues), was found for both crude oils and for every distillation fraction. The relative abundance of N class was found to be somewhat higher for North Sea oil than the Russian oil, containing higher series (DBE values) and carbon distributions. On the other hand, the second most abundant class found for crude oils, the NS class, was found to be more abundant for Russian than North Sea oil samples, in accordance with experimentally measured sulfur values for crude oils. Correspondingly, Russian oil contained a higher series and also carbon distributions NS compounds, in comparison to North Sea oil. The oxygen containing sulfur compounds (OS class) were present only at a low distillation temperature (<410 °C) fractions. The results show that compounds present at trace amounts are more easily observed from distillation fractions than in crude oils.

Petroleomics: Chemistry of the underworld

“…Interestingly, the O 2 class (presumably carboxylic acids) are not aromatic because their DBE values are typically 4 or less (and the simplest aromatic carboxylic acid would have DBE ϭ 5). Plots of DBE vs. carbon number have proved especially useful in characterizing hydrotreatment in petroleum processing (22)(23)(24), vacuum gas oil distillation cuts (25), water-soluble acids and bases (26), saturates vs. aromatics (27), heat exchanger deposits (28), oil:water emulsion interfacial material (29-31), (lack of) matrix effects in saturates/aromatics/ resins/asphaltenes (SARA) (32) fractionation (33), naphthenic acids (1, 34, 35), sulfur-containing polycyclic aromatics (27,(36)(37)(38), distillates (39,40), and other applications discussed in this article.…”

On the changing petroleum generation properties of Alum Shale over geological time caused by uranium irradiation

“…Organic compounds containing one nitrogen atom measurable in ESI (-) FT-ICR MS are most commonly the pyrrolic and indolic groups of carbazoles (Hughey et al, 2002;Pakarinen et al, 2007).…”

Mass-Remainder Analysis (MARA): An Improved Method for Elemental Composition Assignment in Petroleomics

“…Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) has been successfully applied for crude oil characterization. [1][2][3][4][5][6][7][8][9][10] . As alternatives, the performance of "zig-zag" multi-reflecting time-of-flight (TOF) analyzer with ultrahigh resolving power, 11 and Orbitrap Fourier transform mass spectrometer were also used for petroleomic studies.…”

“…The mass spectrometric analysis of this extremely complex mixture may require ultra-high mass-resolution and mass measurement accuracy to separate the tens of thousands of individual compounds present in crude oil. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) has been successfully applied for crude oil characterization. − As alternatives, the performance of “zig-zag” multireflecting time-of-flight (TOF) analyzer with ultra-high resolving power, and an Orbitrap Fourier transform mass spectrometer were also used for petroleomic studies . Independent of analyzers, fractionation of the sample is beneficial, especially for nonpolar compounds. − SARA (saturates, aromatics, resins, asphaltenes) fractionation is typical for crude oil, and the collection of subfractions can increase the number of assignations. − Besides identification of the chemical composition, structural analysis allows a better understanding of crude oil behavior. , Not only high resolution and mass accuracy but also data processing and visualization methods, such as Kendrick mass defect and van Krevelen analyses, have an important role in the study of crude oils.…”