FT-ICR MS offers 10-100 times higher mass resolving power than any other mass analyzer, and is thus the mass analyzer of choice for complex mixture analysis. Accurate (sub-ppm) mass measurement yields elemental composition, numbers of N, O, and S (hetero) atoms (i.e., compound "class"), number of rings plus double bonds (DBE, or "type"), and carbon number distribution (yielding the degree of alkylation)for molecules up to ~1,500 Da. We have assigned more than 125,000 peaks in a single petroleum 9.4 T FT-ICR mass spectrum. Data may be visualized from various graphical images scaled according to ion relative abundance: e.g., class distribution, Kendrick plot, van Krevelen plot, DBE vs. carbon number, etc.<br/><br/>Petroleomics aims to correlate and ultimately predict petroleum properties and behavior based on its detailed chemical composition. Applications include production deposit characterization, crude oil fingerprinting, crude oil compositional comparisons, heavy ends and asphaltene characterization, identification of naphthenic acids in crude oil and bitumen, biodegradation indices, emulsion stability, and polar compound speciation in the distillation process. This talk will report recent petroleomics technique developments, including imprinted polymers to extract naphthenic acids, and on-line LC FT-ICR MS at 21 tesla (highest field for ICR)) applied to characterization of crude oil and oil spills.

Speciation and chemical composition of petroleum crude oil by Fourier transform ion cyclotron resonance mass spectrometry

255th National Meeting (2018)

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