Related Experiment Video
Updated: Jan 19, 2026
08:22
Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography
Published on: May 15, 2020
8.1K
Insights from Nitrogen Compounds in Gas Oils Highlighted by High-Resolution Fourier Transform Mass Spectrometry
Julie Guillemant1, Florian Albrieux1, Luis P de Oliveira1
1IFP Energies nouvelles , Rond-point de l'échangeur de Solaize , BP 3 , 69360 Solaize , France.
Analytical Chemistry
|September 19, 2019
Summary
Advanced mass spectrometry analysis revealed distinct molecular compositions in gas oil samples, correlating with macroscopic properties. This study provides insights into nitrogen compound characterization and hydrotreatment pathways.
Area of Science:
- Petroleum Chemistry
- Analytical Chemistry
- Mass Spectrometry
Background:
- Gas oil composition varies significantly based on origin.
- Understanding nitrogen compounds is crucial for refining processes.
- Hydrotreatment aims to reduce nitrogen content and modify molecular structures.
Purpose of the Study:
- To characterize basic and neutral nitrogen compounds in diverse gas oil samples.
- To correlate molecular composition with macroscopic properties.
- To monitor hydrotreatment reaction pathways using nitrogen compound evolution.
Main Methods:
- Analysis of 23 gas oil samples using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI(±)-FT-ICR MS).
- Optimization of ionization and ion transfer conditions via Design of Experiments.
- Repeatability assessment through analysis of six replicates per sample.
Main Results:
- Significant differences in molecular composition, including heteroatomic classes and nitrogen families, were identified between gas oils.
- Molecular composition variations were correlated with macroscopic sample properties.
- Nitrogen relative intensities evolved during hydrotreatment, indicating changes in aromaticity and alkylation levels.
Conclusions:
- ESI(±)-FT-ICR MS is a powerful tool for detailed characterization of nitrogen compounds in gas oils.
- Molecular insights can be linked to macroscopic properties and refining process outcomes.
- The study provides a method for monitoring hydrotreatment efficiency and reaction pathways.
Related Concept Videos
01:24Mass Spectrum: Interpretation
2.7K
An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a soft-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.To...
2.7K
01:18Mass Spectrometry: Long-Chain Alkane Fragmentation
2.4K
The molecular ions of linear alkanes prefer to fragment at the carbon-carbon bond away from the end of the chain since the cleavage of an inner bond creates a stable carbocation and a stable radical. Consequently, the mass signals of linear alkanes feature intense peaks in the middle of the mass-to-charge ratio plot with weaker peaks on either end. The fragmentation of each carbon-carbon bond with the release of a methyl group in each splitting leads to prominent peaks in the mass spectra...
2.4K
01:23Mass Spectrometry: Aromatic Compound Fragmentation
2.4K
Upon ionization, aromatic compounds generate a molecular ion that is observed as a prominent peak in their mass spectra. For example, the molecular ion peak for benzene appears at a mass-to-charge ratio of 78, while toluene is observed at a mass-to-charge ratio of 92. The molecular ion benzene is highly stable and does not readily undergo further fragmentation due to the significant amount of energy required to disrupt the aromatic stability of the benzene ring. In contrast, the molecular ion...
2.4K
01:29Mass Spectrometry: Branched Alkane Fragmentation
1.7K
This lesson delves into the mass spectrometry of branched alkane fragmentation. Branched alkanes possess secondary or tertiary carbon atoms, which generate relatively stable carbocations if the cleavage occurs at the branching point. The high stability of carbocations drives the instant fragmentation of branched alkanes. Accordingly, the branched alkane's molecular ion peak is very weak or invisible in the mass spectra, especially in comparison to a linear alkane.
1.7K
01:05Mass Spectrometry: Cycloalkane Fragmentation
2.2K
In mass spectrometry, cycloalkanes exhibit distinct fragmentation patterns due to the inherent stability of their molecular ions compared to linear or branched alkanes. The ring structure of cycloalkanes provides additional stability to the molecular ions, often resulting in prominent ion peaks in the mass spectrum.
For example, cyclohexane molecular ions have a mass-to-charge ratio (m/z) of 84, which tends to produce a stronger signal than linear alkanes like hexane. This stability comes from...
For example, cyclohexane molecular ions have a mass-to-charge ratio (m/z) of 84, which tends to produce a stronger signal than linear alkanes like hexane. This stability comes from...
2.2K
01:14Gas Chromatography–Mass Spectrometry (GC–MS)
6.6K
Gas chromatography–mass spectrometry (GC–MS) is the combination of analytical techniques of gas chromatography and mass spectrometry in a single instrument for analyzing a mixture of compounds. The gas chromatograph separates the compounds in the mixture, and the mass spectrometer analyzes each compound separately to determine the molecular masses and molecular structures.
A gas chromatograph consists of a long, narrow capillary column with a polysiloxane coating on the inner wall....
A gas chromatograph consists of a long, narrow capillary column with a polysiloxane coating on the inner wall....
6.6K