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Related Concept Videos

Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

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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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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 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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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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Related Experiment Video

Updated: May 2, 2026

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
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Ion mobility derived collision cross sections to support metabolomics applications.

Giuseppe Paglia1, Jonathan P Williams, Lochana Menikarachchi

  • 1Center for Systems Biology, University of Iceland , IS 101, Reykjavik, Iceland.

Analytical Chemistry
|March 20, 2014
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Ion mobility spectrometry enhances metabolite identification in metabolomics. Measuring collision cross-section (CCS) values provides reproducible molecular shape data, improving confidence in identifying metabolites in biological samples.

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Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Life Sciences

Background:

  • Metabolomics is crucial for life and health sciences.
  • Metabolite identification is a significant challenge in metabolomics.
  • Ion mobility offers a novel approach to address this challenge.

Purpose of the Study:

  • To investigate ion mobility as a tool for metabolite identification.
  • To measure and assess the reproducibility of collision cross-section (CCS) values for common metabolites.
  • To demonstrate the utility of CCS data in enhancing metabolite identification confidence.

Main Methods:

  • Utilized traveling-wave ion mobility-mass spectrometry (TW-IM-MS) to measure CCS of 125 metabolites.
  • Assessed reproducibility of CCS measurements across three independent laboratories.
  • Evaluated CCS reproducibility in biological matrices (urine, plasma, platelets, red blood cells) using UPLC-TW-IM-MS.
  • Applied UPLC-TW-IM-MS with CCS data for comparative metabolomics of epithelial and mesenchymal cells.

Main Results:

  • High reproducibility of CCS measurements (RSD < 5%) across laboratories.
  • Excellent reproducibility of CCS in biological matrices (mean RSD < 2%) compared to retention times.
  • Demonstrated successful identification of cancer-related metabolites using CCS, retention time, and accurate mass.

Conclusions:

  • Ion mobility measurements, specifically CCS, are highly reproducible and robust.
  • Incorporating CCS data into metabolomics workflows significantly increases metabolite identification confidence.
  • This approach offers a valuable orthogonal parameter for structural elucidation in metabolomics.