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Related Concept Videos

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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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.
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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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Mass Spectrometry: Complex Analysis01:21

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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.
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MALDI-TOF Mass Spectrometry01:19

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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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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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Mass spectrometry for fragment screening.

Daniel Shiu-Hin Chan1, Andrew J Whitehouse1, Anthony G Coyne1

  • 1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

Essays in Biochemistry
|October 8, 2017
PubMed
Summary

Mass spectrometry (MS) offers a sensitive, label-free method for fragment screening in drug discovery. This review explores emerging MS-based techniques for identifying and validating fragment hits, complementing traditional methods.

Keywords:
fragment-based drug discoveryligand-observed mass spectrometrynative mass spectrometry

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Area of Science:

  • Chemical Biology
  • Drug Discovery
  • Biophysics

Background:

  • Fragment-based drug discovery (FBDD) is a widely adopted strategy.
  • Fragment hits bind weakly, requiring sensitive biophysical detection methods.
  • Common techniques include differential scanning fluorimetry (DSF) and NMR spectroscopy.

Purpose of the Study:

  • To highlight the emerging role of mass spectrometry (MS) in fragment screening.
  • To showcase recent examples of MS-based techniques in FBDD.
  • To emphasize the advantages of MS for fragment screening.

Main Methods:

  • Review of recent literature on MS applications in fragment screening.
  • Comparison of MS with established techniques like DSF, NMR, ITC, and X-ray crystallography.
  • Focus on label-free, high-sensitivity MS-based approaches.

Main Results:

  • Mass spectrometry is an underutilized yet powerful technique for fragment screening.
  • MS offers high sensitivity and requires low sample consumption.
  • MS provides a label-free detection method for fragment-target interactions.

Conclusions:

  • MS-based techniques are emerging as valuable tools in fragment-based drug discovery.
  • The sensitivity and efficiency of MS complement traditional biophysical methods.
  • Further adoption of MS can enhance fragment screening and hit identification processes.