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Related Concept Videos

Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

8.1K
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...
8.1K
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.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
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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...
2.2K
MALDI-TOF Mass Spectrometry01:19

MALDI-TOF Mass Spectrometry

6.4K
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...
6.4K
Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

2.6K
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...
2.6K
Mass Spectrometers01:16

Mass Spectrometers

8.2K
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:
8.2K

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Navigating the Mass Spectrometry-Based Proteomic Data Using Free Computational Tools
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Navigating the Mass Spectrometry-Based Proteomic Data Using Free Computational Tools

Published on: August 19, 2025

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Perspectives in computational mass spectrometry: recent developments and key challenges.

Timo Sachsenberg1,2, Lindsay K Pino3, Marie Brunet4

  • 1Department of Computer Science, University of Tübingen, Tübingen, 72074, Germany.

Bioinformatics Advances
|December 22, 2025
PubMed
Summary
This summary is machine-generated.

Computational mass spectrometry (MS) is advancing molecular biology research. Continued investment in computational methods is crucial for realizing the full potential of MS-based technologies in research and clinical applications.

Area of Science:

  • Molecular biology
  • Computational biology
  • Biotechnology

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Background:

  • Mass spectrometry (MS) is a fundamental technology in molecular biology, supporting fields like proteomics, metabolomics, and lipidomics.
  • Advancements in instrumentation, data acquisition, machine learning, and computing are transforming computational MS.
  • The Computational Mass Spectrometry (CompMS) Community of Special Interest plays a vital role in fostering collaboration and innovation.