Petroleomics <i>via</i> Orbitrap mass spectrometry with resolving power above 1 000 000 at <i>m</i>/<i>z</i> 200

Abstract

The performance of the high-field MegaOrbitrap Fourier transform mass spectrometer (FT-MS) with electrospray ionization (ESI) was evaluated to perform petroleum sample characterization <i>via</i> classical petroleomics approaches. Pertinent parameters that underpin the main figures of merit, that is, signal to noise ratios, dynamic range, spectral error, scan speed, mass accuracy and mass resolving power = <i>R</i> _p, and provide subsidies to develop these analyzers were tested. Comparisons are made with data obtained using the most common petroleomics instrument, which is a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS), that has been used in the last decade in our laboratory for crude oil analysis providing <i>R</i> _p of 340 000 at <i>m</i>/<i>z</i> 400 with transients of 3 s duration, and has been extensively demonstrated to fulfill all major requirements for precise petroleomics investigations. The high-field compact MegaOrbitrap mass analyzer, when operated at an <i>R</i> _p = 840 000 at <i>m</i>/<i>z</i> 400 (<i>R</i> _p > 1 000 000 at <i>m</i>/<i>z</i> 200) with a detection time of 3 s, was found to be well suited for adequate characterization of crude oil. Accurate class classification and mass accuracy below 1 ppm was obtained leading to proper, comprehensive petroleomics characterization.