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Related Concept Videos

Mass Spectrum: Interpretation01:24

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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...
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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...
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Mass Spectrometry: Molecular Fragmentation Overview01:20

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The ionization of a molecule into a molecular ion inside the mass spectrometer causes instability in the molecule's structure due to the loss of an electron. This eventually leads to the fragmentation or breaking of some bonds in the molecule. The fragmentation occurs predominantly at specific bonds to yield relatively stable fragments.
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This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
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The fragmentation patterns observed for compounds such as carboxylic acids, esters, and amides in the mass spectra include ⍺-cleavage and McLafferty rearrangement. Fragmentation by ⍺-cleavage preferentially occurs at the carbon-carbon bond at the ⍺-position next to the carboxylic group to generate a neutral radical and a cation. Long chain compounds with hydrogen at their γ-carbon undergo McLafferty rearrangement to give a radical cation and a neutral alkene.
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Mass Spectrometry: Alkene Fragmentation00:59

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Alkenes lose one electron from the unsaturated π bond upon ionization and form stable molecular ions. Further fragmentation of alkenes occurs through three different reaction pathways. The most prominent fragmentation is the cleavage at the allylic position. The resultant allylic carbocation is resonance stabilized. In the mass spectra of terminal alkenes, this fragment appears at a mass-to-charge ratio of 41. In the internal alkenes, where there are two choices of allylic cleavage, the...
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Related Experiment Video

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Chemical Analysis of Water-accommodated Fractions of Crude Oil Spills Using TIMS-FT-ICR MS
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Developments in FT-ICR MS instrumentation, ionization techniques, and data interpretation methods for petroleomics.

Yunju Cho1, Arif Ahmed, Annana Islam

  • 1Department of Chemistry, Kyungpook National University, Daegu, 702-701, Korea.

Mass Spectrometry Reviews
|June 20, 2014
PubMed
Summary

Petroleomics uses advanced Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to analyze complex crude oil compositions. This review details FT-ICR MS principles, instrumentation, and data processing for understanding heavy and unconventional oils.

Keywords:
laser desorptionmass spectrometrynanopetroleumtime of flight

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Area of Science:

  • Petroleomics and Analytical Chemistry
  • Focuses on the detailed chemical characterization of crude oil mixtures.

Background:

  • Increasing demand for heavy and unconventional crude oils necessitates advanced analytical techniques.
  • Crude oil's inherent complexity requires ultra-high resolving power for comprehensive analysis.

Purpose of the Study:

  • To introduce the principles and applications of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) in petroleomics.
  • To provide an overview of FT-ICR MS instrumentation, ionization techniques, and data interpretation methods.
  • To guide readers with no prior experience in the field of petroleomics.

Main Methods:

  • Application of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) for ultra-high resolution analysis of crude oil.
  • Utilization of data processing techniques such as Kendrick mass defect analysis and statistical analyses for large dataset interpretation.
  • Review of advancements in FT-ICR MS instrumentation and methodologies.

Main Results:

  • FT-ICR MS has proven effective in studying complex heavy and unconventional crude oils like bitumen and shale oil.
  • Analysis of crude oils using FT-ICR MS pushes instrumental and methodological limits, often generating spectra with over 100,000 peaks.
  • Key developments in instrumentation and data processing are critical for successful FT-ICR MS application in petroleomics.

Conclusions:

  • FT-ICR MS is an indispensable tool for detailed petroleomic analysis.
  • Advancements in both instrumentation and data processing are crucial for overcoming the challenges of analyzing complex crude oil samples.
  • This review serves as a foundational resource for understanding FT-ICR MS in the context of petroleomics.