Petroleomics by Direct Analysis in Real Time-Mass Spectrometry

• Published in: Journal of the American Society for Mass Spectrometry Vol. 27; no. 1; pp. 182 - 185
• Main Authors: Romão, Wanderson, Tose, Lilian V., Vaz, Boniek G., Sama, Sara G., Lobinski, Ryszard, Giusti, Pierre, Carrier, Hervé, Bouyssiere, Brice
• Format: Journal Article
• Language: English
• Published: New York Springer US 2016; American Chemical Society
• Subjects: Analytical Chemistry; Application Note; Bioinformatics; Biotechnology; Chemical Sciences; Chemistry; Chemistry and Materials Science; Organic Chemistry; Proteomics; DART; Paraffin; Crude oil; Porphyrin; Ambient mass spectrometry; ambient mass spectrometry; DART-MS; paraffin; crude oil; porphyrin
• ISSN: 1044-0305; 1879-1123
• DOI: 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 (O
x
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 = C
44
H
30
N
4
and C
44
H
28
N
4
OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.
Graphical Abstract
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