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Related Concept Videos

Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
Gas Chromatography–Mass Spectrometry (GC–MS)01:14

Gas Chromatography–Mass Spectrometry (GC–MS)

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. The coating...
Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and reduce chemical noise during analyte detection. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called...
Peptide Identification Using Tandem Mass Spectrometry01:33

Peptide Identification Using Tandem Mass Spectrometry

Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
MALDI-TOF Mass Spectrometry01:19

MALDI-TOF Mass Spectrometry

Mass spectrometry is a powerful characterization technique that can identify and separate a wide variety of compounds ranging from chemical to biological entities, based on their mass-to-charge ratio (m/z). The instruments that allow this detection, known as mass spectrometers, have three components: an ion source, a mass analyzer, and a detector. These spectrometers differ based on the nature of their ion source and analyzers.Matrix-assisted laser desorption ionization (MALDI) is a commonly...
High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For example, the mass of helium...

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Updated: May 31, 2026

Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography
08:22

Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography

Published on: May 15, 2020

Complementary diesel-fuel compositional profiling by one-dimensional and comprehensive two-dimensional GC-TOF/MS.

Tomasz Zieliński1,2, Joanna Szpotkowska3, Joanna Rudnicka4

  • 1Centre for Modern Interdisciplinary Technologies, Institute for Advanced Studies, Nicolaus Copernicus University in Toruń, Toruń, 87-100, Poland.

Scientific Reports
|May 29, 2026
PubMed
Summary

Comparing one-dimensional gas chromatography (1D GC) and comprehensive two-dimensional GC (GC×GC), both coupled with time-of-flight mass spectrometry (TOF/MS), revealed distinct diesel fuel compositions. GC×GC offers superior detail for complex samples, while 1D GC excels at broad screening.

Keywords:
1D GC-TOF/MSChemometricsCompositional profilingDiesel fuelFeature occurrenceGC×GC-TOF/MS

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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
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Last Updated: May 31, 2026

Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography
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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
10:14

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Published on: September 2, 2020

Area of Science:

  • Analytical Chemistry
  • Petroleum Chemistry
  • Chromatography

Background:

  • Diesel fuel composition analysis is crucial for quality control and regulatory compliance.
  • Advanced chromatographic techniques are needed to resolve complex fuel matrices.
  • Time-of-flight mass spectrometry (TOF/MS) provides high-resolution detection for detailed profiling.

Purpose of the Study:

  • To evaluate one-dimensional gas chromatography (1D GC-TOF/MS) and comprehensive two-dimensional gas chromatography (GC×GC-TOF/MS) as complementary methods for diesel fuel compositional profiling.
  • To compare the analytical performance and data output of 1D GC-TOF/MS and GC×GC-TOF/MS for diesel analysis.
  • To identify subtle compositional variations in diesel fuels, even within narrow specification windows.

Main Methods:

  • Utilized one-dimensional gas chromatography coupled with time-of-flight mass spectrometry (1D GC-TOF/MS).
  • Employed comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOF/MS).
  • Performed statistical evaluation and Principal Component Analysis (PCA) on chromatographic data.

Main Results:

  • GC×GC-TOF/MS identified significantly more features (27,146) than 1D GC-TOF/MS (1,850), with only 595 common annotated features.
  • Both methods consistently identified atypical diesel samples through statistical analysis and PCA.
  • Analysis revealed dominant paraffinic and olefinic/naphthenic hydrocarbons, with specific samples showing increased oxygenated or FAME-associated compounds.

Conclusions:

  • 1D GC-TOF/MS is effective for robust comparative screening of diesel fuels.
  • GC×GC-TOF/MS offers enhanced selectivity and peak capacity for analyzing complex diesel matrices.
  • Integrating chromatographic data with physicochemical properties highlights that significant compositional differences can exist within narrow fuel specifications, supporting future chemometric modeling.