Data demonstrating the ability of time-of-flight (TOF) mass spectrometry using an ultra-high resolving power (Rp, 100,000@400 m/z) analyzer (HRT) to provide proper platform for comprehensive petroleomic studies will be presented. The innovative HRT design for ultra-high resolution using a �zig-zag� multi-reflecting analyzer with a folded flight path, efficient ion refocusing, and no substantial loss of ion transmission has been tested, and found to provide proper class assignments and resolution and to correctly resolve most isobaric interferences. With TOF-MS data treatment, we will show an accuracy as low as 0.6 ppm and deviation comparable to FTMS measurements. Ion mobility spectrometry (IMS), which separates ions while they travel through a buffer gas under the influence of an electrical field, when coupled to MS, will also be shown to offer a powerful tool for crude oil characterization. More specifically, we will first present a systematic study on the ability of traveling wave ion mobility mass spectrometry (TWIM-MS) to systematically evaluate the relationship between structure and drift time of crude oil components, using a series of deprotonated carboxylic acids as models. Next, data will be presented for different crude oil samples with different polar compounds profiles, as well as petro fuels such as diesel, gasoline with or without additives analyzed by TWIM-MS in a Synapt HDMS instrument using CO2 as the drift gas. Using TWIM-MS in CO2, resolution of different classes of polar compounds and DBE discrimination in crude oil samples were attained. The separation of polar markers from fuel additives and their characterization will also be illustrated.

Petroleomics by ultra-high resolution mass spectrometry in a "zig-zag" multi-re?ecting TOF and via traveling wave ion mobility mass spectrometry

247th National Meeting (2014)

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