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Mass Spectrometry of Amines01:15

Mass Spectrometry of Amines

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In mass spectroscopy, amines undergo fragmentation to give parent ions with odd molecule weights. This observed mass spectrum follows the nitrogen rule; a molecule with an odd number of nitrogen atoms produces a molecular ion with an odd molecular weight. Amines undergo fragmentation through α cleavage, producing nitrogen-containing cations—iminium ions—and alkyl radicals. Mass spectra of aromatic and cyclic aliphatic amines exhibit strong molecular ion peaks, but acyclic...
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Mass Spectrometry: Overview01:19

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Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass. One common type of ionization, known as electron ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave behind a...
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Mass Spectrometry: Isotope Effect01:13

Mass Spectrometry: Isotope Effect

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Most elements exist in nature as a mixture of isotopes. The isotopes differ in weight due to their respective number of neutrons. The molecular weight of a molecule is different depending on the specific isotope of its elements involved. As a result, the mass spectrum of the molecule exhibits peaks from the same fragment at multiple positions. The positions of these mass signals depend on the mass differences between isotopes. Furthermore, the intensity of these signals is dependent on the...
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Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

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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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Chemical Ionization (CI) Mass Spectrometry01:21

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The molecular ion peak of a molecule in the mass spectrum provides vital information for molecular identification. However, conventional electron impact ionization can lead to the rapid dissociation of some molecular ions before they reach the detector. A milder ionization method is required to increase the lifetime of such ionized analyte molecules. Chemical ionization (CI) is a gas-phase protonation reaction useful for mass-analyzing analyte molecules that are easily protonated to yield the...
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Mass Spectrometry: Alkene Fragmentation00:59

Mass Spectrometry: Alkene Fragmentation

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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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Mass spectrometry-based metabolomics.

Katja Dettmer1, Pavel A Aronov, Bruce D Hammock

  • 1Department of Entomology, University of California at Davis, Davis, California 95616, USA.

Mass Spectrometry Reviews
|August 22, 2006
PubMed
Summary
This summary is machine-generated.

This review explores mass spectrometry-based metabolomics, a field focused on comprehensive metabolite analysis. It highlights techniques like metabolic fingerprinting and advances in bioinformatics for classifying biological samples.

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Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Systems Biology

Background:

  • Metabolomics involves comprehensive, quantitative analysis of metabolites in biological samples.
  • Metabolites exhibit diverse physicochemical properties and abundance levels, posing analytical challenges.
  • Mass spectrometry is a powerful tool for metabolomics investigations due to its sensitivity and specificity.

Purpose of the Study:

  • To provide an overview of the dynamically developing field of mass spectrometry-based metabolomics.
  • To discuss specialized approaches for sample preparation, separation, and mass spectrometric analysis in metabolomics.
  • To highlight recent advances in metabolomics bioinformatics, including data analysis tools and metabolite databases.

Main Methods:

  • Focus on metabolic fingerprinting for analyzing all detectable analytes in a sample.
  • Description of techniques for sample preparation and separation tailored for metabolomics.
  • Discussion of mass spectrometry-based analytical strategies for metabolite profiling.

Main Results:

  • Metabolic fingerprinting enables sample classification and identification of differentially expressed metabolites.
  • Specialized analytical approaches are crucial for comprehensive metabolomics.
  • Advances in bioinformatics are essential for handling complex metabolomics data.

Conclusions:

  • Mass spectrometry-based metabolomics is a rapidly advancing field with significant potential.
  • Effective metabolomics requires integrated approaches in sample handling, analysis, and data interpretation.
  • Continued development in bioinformatics is critical for unlocking the full potential of metabolomics research.