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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...
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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 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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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 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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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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Technical Challenges in Mass Spectrometry-Based Metabolomics.

Fumio Matsuda1

  • 1Department of Bioinformatic Engineering, Graduate School of Information Science and Technology, Osaka University; RIKEN Center for Sustainable Resource Science.

Mass Spectrometry (Tokyo, Japan)
|December 1, 2016
PubMed
Summary
This summary is machine-generated.

Metabolomics enables the analysis and quantification of all metabolites in biological samples. This emerging field aids biomarker discovery and metabolic system analysis across clinical and agricultural research.

Keywords:
absolute quantificationexperimental designin silico fragmentationmetabolomicssmall molecule identification

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Area of Science:

  • Biochemistry
  • Analytical Chemistry

Background:

  • Metabolomics involves the comprehensive analysis and quantification of metabolites within biological systems.
  • It is a rapidly advancing scientific field with broad applications in clinical, agricultural, and medical research.

Purpose of the Study:

  • To highlight the utility of metabolomics in biomarker discovery.
  • To discuss the application of metabolomics in analyzing metabolic systems.
  • To explore the potential of advanced technologies in enhancing metabolome analysis.

Main Methods:

  • Utilizes widely targeted analysis of a few hundred preselected metabolites.
  • Employs mass spectrometry for metabolite identification and quantification.
  • Involves the analysis of 10-100 biological samples.

Main Results:

  • Demonstrates the capability of metabolomics to provide insights into metabolic pathways.
  • Facilitates the discovery of potential biomarkers for various research areas.
  • Highlights the importance of technological advancements in expanding metabolomic scope.

Conclusions:

  • Metabolomics is a powerful tool for understanding biological systems.
  • Continued technological innovation in mass spectrometry and computational methods will drive more comprehensive metabolome analysis.
  • Future advancements promise deeper exploration of metabolic processes and their role in health and disease.