Abstract:

Sample preparation methods, instrumental metadata, calibration, and analytical procedures to conduct ultrahigh resolution mass spectrometry of oil samples. Chemical formulae for a series of FT-ICR Mass Spectral Characterization of MC 252 parent crude oil.

Suggested Citation:

McKenna, Amy. 2015. Fourier Transform Ion Cyclotron Resonance Mass Spectral Characterization of MC 252 Parent Crude Oil. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/N7RV0KPV

Publications:

McKenna, A. M., Nelson, R. K., Reddy, C. M., Savory, J. J., Kaiser, N. K., Fitzsimmons, J. E., … Rodgers, R. P. (2013). Expansion of the Analytical Window for Oil Spill Characterization by Ultrahigh Resolution Mass Spectrometry: Beyond Gas Chromatography. Environ. Sci. Technol., 130619104044007. doi:10.1021/es305284t

Purpose:

To assess the influence of oil and gas on water column and sediment biogeochemical processes and the distribution of substances that affect biological productivity.

Data Parameters and Units:

Ionization Mode: method of creating ions, where APPI = positive ion atmospheric pressure photoionization, Neg ESI = negative ion electrospray ionization, Pos ESI = positive ion electrospray ionization Ion Type: ion type observed, where M+H denotes protonation, M+. denotes radical cations from the loss of an electron, and M-H denotes deprotonation Measured Mass: measured mass of ion (Daltons) Mass Error (ppb): measured Mass/Exact Mass * 1000000000 RA : %relative abundance scaled to the most abundant peak in the spectrum DBE: double bond equivalents (number of rings plus double bonds) Measured Formula: elemental composition for the ion Neutral Formula: elemental composition for the neutral molecule

Instruments:

Fourier Transform Ion Cyclotron Resonance Mass Spectrometer

Individual Files: