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Related Concept Videos

Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

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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 Spectrometers01:16

Mass Spectrometers

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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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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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MALDI-TOF Mass Spectrometry01:19

MALDI-TOF Mass Spectrometry

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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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Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

3.8K
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...
3.8K
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

2.0K
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.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
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OpenMS: a flexible open-source software platform for mass spectrometry data analysis.

Hannes L Röst1,2, Timo Sachsenberg3,4, Stephan Aiche5

  • 1Department of Biology, Institute of Molecular Systems Biology, ETH Zurich, Zurich, Switzerland.

Nature Methods
|August 31, 2016
PubMed
Summary
This summary is machine-generated.

OpenMS 2.0 is a new open-source software for analyzing high-throughput mass spectrometry (MS) data. It enhances data transparency, accuracy, and reproducibility in life science research.

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Area of Science:

  • Life Sciences
  • Biotechnology
  • Computational Biology

Background:

  • High-resolution mass spectrometry (MS) is crucial for disease diagnosis, biomolecular structure elucidation, and cellular signaling network characterization.
  • Increasingly large and complex MS datasets pose challenges for transparent, accurate, and reproducible analysis.

Purpose of the Study:

  • To introduce OpenMS 2.0, a robust, open-source, cross-platform software solution.
  • To facilitate flexible and reproducible analysis of high-throughput MS data.

Main Methods:

  • OpenMS 2.0 offers an extensible architecture with a well-defined API in C++ and Python.
  • It supports standardized open data formats for mass spectrometric data processing.
  • The software includes 185 tools and pre-built workflows for common MS data tasks.

Main Results:

  • OpenMS 2.0 enables efficient and reproducible analysis of complex quantitative mass spectrometry data.
  • It addresses the challenges of data volume and complexity in high-throughput MS.

Conclusions:

  • OpenMS 2.0 provides a powerful and accessible platform for researchers using mass spectrometry.
  • The software promotes transparency, accuracy, and reproducibility in MS data analysis across life sciences.