Evaluating the multiple benefits offered by ion mobility-mass spectrometry in oil and petroleum analysis

Abstract

International audienceIon mobility-mass spectrometry is starting to be considered as a useful tool in the deconvolution of complex oil and petroleum samples. While ultrahigh resolution mass spectrometry is the incumbent technology in this field, ion mobility offers complementary information related to species size and shape, and also the ability to resolve structural isomers. In this work, a sample of the resins portion of the Saturates, Aromatics, Resins, and Asphaltenes (SARA) fractions of crude oil was analysed using an orthogonal acceleration quadrupole time-of-flight mass spectrometer (oa-QToF MS) that incorporates a travelling wave ionmobility spectrometry (TWIMS) region. The ion mobility data were compared with previously acquired ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) data and various nitrogen containing families were identified. Ion mobility data were processed in the typical way for the oil and petroleum industry; and the use of high resolution exact mass coupled with mobility data to provide enhanced species resolution was examined. Double bond equivalence (DBE) and carbon number groups were identified using patterns in the ion mobility data, which demonstrated the utility of ion mobility for discovering species relationships within the crude oil sample. The ability to calibrate the ion mobility cell and generate sizes for the detected ions was also recognised as potentially having particular value for the implementation of conversion or hydrotreatment processes in the oil industry

Grouping of Petroleum Substances as Example UVCBs by Ion Mobility-Mass Spectrometry to Enable Chemical Composition-Based Read-Across

“…7, 35 Advancements in IM-MS-based technologies have improved sample separation efficiency by incorporating shape and size-based dimensionality, and are amenable for high (TOF-MS) and ultra-high (FT-MS) mass analyses of petroleum substances. 16, 36 Collectively, these approaches are defined under the term petroleomics; they are useful for detailed chemical characterization to meet regulatory requirements towards grouping of petroleum substances for read across. 7, 10, 15, 37 …”

Comprehensive chemical comparison of fuel composition and aerosol particles emitted from a ship diesel engine by gas chromatography atmospheric pressure chemical ionisation ultra-high resolution mass spectrometry with improved data processing routines

“…In the past years, various approaches have try to overcome this issue by coupling chromatographic techniques, such as gas and liquid chromatography, 18 or more recently ion mobility spectroscopy. [19][20][21][22][23][24] The number of publications using gas chromatography (GC) coupled to ambient pressure ionisation ultrahigh resolution mass spectrometry is still limited. Recently, Benigni et al have shown the utilisation of atmospheric pressure laser ionisation (APLI) coupled to ICR-MS for increasing the polycyclic aromatic hydrocarbon coverage in petroleum sample material.…”

1- and 2-Photon Ionization for Online FAIMS-FTMS Coupling Allows New Insights into the Constitution of Crude Oils

“…14 Previous studies in crude oil research tried to circumvent the problem by combining data from analyses using IMS-TOF MS and FT-ICR MS both after electrospray ionization. [15][16][17][18] Due to the Figure 1. Schematic view of the experimental setup regarding the source region; left and center panel show a section through the source block from a top view with mounted FAIMS unit.…”