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

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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 (N 2, S 3, NS 2, NOS, O 3, OS 2, and O 2 S) below detectability, N-, S-, O-, O 2 -, 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.