Petroleomics

Petroleomics is the identification of the totality of the constituents of naturally occurring petroleum and crude oil using high resolution mass spectrometry.

[1][2][3] In addition to mass determination, petroleomic analysis sorts the chemical compounds into heteroatom class (nitrogen, oxygen and sulfur), type (degree of unsaturation, and carbon number).

[9] field desorption FT-ICR MS has enabled the identification of a large number of nonpolar components in crude oils that are not accessible by electrospray, such as benzo- and dibenzothiophenes, furans, cycloalkanes, and polycyclic aromatic hydrocarbons (PAHs).

However, APPI ionizes a broad range of compound classes and produces both protonated and molecular ion peaks, resulting in a complex mass spectrum.

From the Kendrick plot, the species with peaks in the mass spectrum can be sorted into compound classes by the number of nitrogen, oxygen and sulfur heteroatoms.

Petroleomics is the chemical characterization of petroleum such as this sample of North Sea crude oil.
A gas chromatography-mass spectrometer at the National Bureau of Standards in 1948.
A high resolution FTICR mass spectrometer is often used for petroleomics.
Plot of Kendrick mass defect as function of Kendrick mass; horizontal lines indicate common repeat units. Each dot in the plot corresponds to a peak measured in a mass spectrum.