Comprehensive Compositional Analysis of Hydrotreated and Untreated Nitrogen-Concentrated Fractions from Syncrude Oil by Electron Ionization, Field Desorption Ionization, and Electrospray Ionization Ultrahigh-Resolution FT-ICR Mass Spectrometry

Abstract

Untreated and hydrotreated nitrogen-concentrated distillation fractions (483−504 °C) from Syncrude oil have been analyzed by electron ionization, field desorption ionization, and electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. The routinely attainable mass resolving power ≥300 000 at m/z 300 and sub-ppm mass accuracy allowed for resolution and elemental compositional assignment of various compound classes. Multiple closely spaced mass doublets (with mass differences <10 mDa) were detected. Although hydrotreatment reduced the relative abundances of several heteroatomic classes (N2, S3, NS2, NOS, O3, OS2, and O2S) below detectability, N-, S-, O-, O2-, OS-, and NO-containing compounds survived hydrotreatment. Analysis of N-, S-, and O-containing compounds and hydrocarbon compounds at the molecular level exposes compositional changes and reveals the effectiveness of the hydrotreating process.

Characterization of Nitrogen and Sulfur Compounds in Hydrocracking Feedstocks by Fourier Transform Ion Cyclotron Mass Spectrometry

“…Significant amounts of di-and trisulfur species may explain the higher total sulfur content observed in the DMO. Whether the sulfur atoms are present in two or three isolated aromatic rings or as part of one larger condensed aromatic system have yet to be investigated for Arabian oils [21]. This may explain the observed difficulties in the hydrocracking of the DMO.…”

“…Nitrogen species of significantly varying polarities have been described in petroleum samples [21]. Three different mass spectrometric ionization techniques have been proven powerful for ionizing these different types of nitrogen molecules according to their polarities [22].…”

Characterization of Basic Nitrogen-Containing Compounds in the Products of Lube Base Oil Processing by Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

“…Positive-ion ESI can selectively ionize heteroatom species, such as basic nitrogen compounds, and negative-ion ESI can be used for acids and neutral nitrogen compounds. 2,6,7 Smith et al 8 analyzed the polar heteroatom species including basic and neutral nitrogen compounds in eight heavy vacuum gas oil (HVGO) distillation fractions with different boiling ranges of Athabasca bitumen by positive-and negative-mode ESI FT-ICR MS. Liu et al 4 has characterized the composition of basic nitrogen compounds in the products of Liaohe atmospheric residue hydrocracking including VGOs by positiveion ESI coupled with FT-ICR MS.…”

Comprehensive study of a heavy fuel oil spill : modeling and analytical approaches to understanding environmental weathering

“…On a non-polar column, 15,25 and 50% of the injected mass eluted before n-C 18 , n-C 22 and n-C 32 respectively ( Figure 1). Only ~63% of the mass was detectable using traditional GC-FID techniques, highlighting the necessity for alternative methods to examine the non-GC amenable fraction.…”

“…Sub-ppm mass accuracy (50-300 ppb rms error) enables molecular formulae assignment to the >26,000 species present in a heavy crude residue. [18] Although FT-ICR-MS has been used extensively to examine petroleum and petroleum products [6,[18][19][20][21], refinery deposits [5,6,22,23]and changes due to various refinery operations [17,22,[24][25][26][27], its application to environmental petroleum samples and processes has been limited. [8,17,28,29] In 2007 Francisco Bay by GC and reported dramatic losses of low molecular weight compounds eluting before n-C 16, during the initial eleven weeks of weathering.…”