Combining Fourier Transform-Ion Cyclotron Resonance/Mass Spectrometry Analysis and Kendrick Plots for Silicon Speciation and Molecular Characterization in Petroleum Products at Trace Levels

• Published in: Analytical chemistry (Washington) 2012-05, Vol.84 (9), p.3998-4005
• Main Authors: Chainet, Fabien, Ponthus, Jérémie, Lienemann, Charles-Philippe, Courtiade, Marion, Donard, Olivier François Xavier
• Format: Article
• Language: English
• Subjects: Analytical chemistry; Chemical Sciences; Chemistry; Exact sciences and technology; Fourier transforms; Mass spectrometry; Molecules; Petroleum products; Silicon; Spectrometric and optical methods
• ISSN: 0003-2700; 1520-6882
• DOI: 10.1021/ac202931s

A new method combining FT-ICR/MS analysis and Kendrick plots for the characterization of silicon species at trace levels in light petroleum products is presented. The method provides efficient instrumental detection limits ranging from 80 ng/kg to 5 μg/kg and reliable mass accuracy lower than 0.50 ppm for model silicon molecules in spiked gasoline. More than 3000 peaks could be detected in the m/z 50–500 range depending on the nature of the gasoline sample analyzed. An in-house software program was used to calculate Kendrick plots. Then, an algorithm searched, selected, and represented silicon species classes (O2Si, O3Si, and O4Si classes) in Kendrick plots by incorporating model molecules' information (i.e., exact mass and intensity). This procedure allowed the complete characterization of more than 50 new silicon species with different degrees of unsaturation in petroleum products.