Petroleomics by Direct Analysis in Real Time-Mass Spectrometry
Article
Romão, W, Tose, LV, Vaz, BG et al. (2016). Petroleomics by Direct Analysis in Real Time-Mass Spectrometry
. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 27(1), 182-185. 10.1007/s13361-015-1266-z
Romão, W, Tose, LV, Vaz, BG et al. (2016). Petroleomics by Direct Analysis in Real Time-Mass Spectrometry
. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 27(1), 182-185. 10.1007/s13361-015-1266-z
The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.
