Resolution and chemical formula identification of aromatic hydrocarbons and aromatic compounds containing sulfur, nitrogen, or oxygen in petroleum distillates and refinery streams
- Florida State Univ., Tallahassee, FL (United States)
- Univ. of Illinois, Chicago, IL (United States)
An all-glass heated inlet system has been interfaced to a dual-trap Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The inlet vaporizes a mixture of species of widely different boiling points, and the interface maintains a large (factor of 10{sup 10}) pressure gradient between the inlet and the mass spectrometer, making possible the analysis of petroleum distillates and refinery streams at very high mass resolution. The FT-ICR mass spectrum of a gas oil aromatic neutral fraction contained peaks resulting from the resolution of ions having 358 distinct formulas over a mass range nearly 42 u. C{sub 3}/SH{sub 4}, {sup 13}C/CH, {sup 13}CH/ N, CH{sub 2}/N, and other mass doublets were baseline-resolved, yielding typical mass measurement inaccuracies of nearly 1 ppm. For example, {sup 13}C{sup 12}C{sub 17}H{sub 20}S{sup +} and C{sub 21}H{sub 17} {sup +}, which differ by only 0.0011 u at nearly 269 u, were clearly resolved. A 40000 resolving power low-voltage spectrum of the aromatic neutrals, acquired by use of a Kratos MS-50 double-focusing instrument, was processed with a computer-based deisotoping/formula assignment procedure. The algorithm of the program is outlined and illustrated. Remarkably good agreement exists between the FT-ICR and MS-50 results. 66 refs., 6 figs., 5 tabs.
- OSTI ID:
- 223623
- Journal Information:
- Analytical Chemistry (Washington), Vol. 68, Issue 1; Other Information: PBD: 1 Jan 1996
- Country of Publication:
- United States
- Language:
- English
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