Evaluation of high-field Orbitrap Fourier transform mass spectrometer for petroleomics

The performance of the high-field Orbitrap Fourier transform mass spectrometer (FTMS) is evaluated in the context of petroleum sample analysis. Pertinent characteristics including resolving power, mass accuracy, and spectral dynamic range are tested with resin and maltene samples. Comparisons are made to the latest requirements for petroleum analysis by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The resolving power of the high-field compact Orbitrap mass analyzer (with a commercially provided resolution setting of 480,000 at 400 m/z) is found to be sufficient for adequate characterization of the oil fractions under consideration. We demonstrate that the high-field Orbitrap FTMS may provide acceptable mass accuracy, comparable to FT-ICR MS, when an in-house developed recalibration procedure is employed. Presented data show that the high-field Orbitrap FTMS is particularly suitable for the study of lighter oil fractions, preferably with low sulfur content. Comprehensive analysis of more complex crude oil samples requires a further, at least 2-fold, increase in resolving power.