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Related Concept Videos

MALDI-TOF Mass Spectrometry01:19

MALDI-TOF Mass Spectrometry

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...
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

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...
Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

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...
Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

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...
Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

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...
Peptide Identification Using Tandem Mass Spectrometry01:33

Peptide Identification Using Tandem Mass Spectrometry

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.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...

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Related Experiment Video

Updated: May 23, 2026

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)

Published on: May 20, 2013

Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis.

Masahiro Sugimoto1, Masato Kawakami, Martin Robert

  • 1Institute for Advanced Biosciences, Keio University, Tsuruoka, Yamagata 997-0017, Japan.

Current Bioinformatics
|March 23, 2012
PubMed
Summary

Metabolomics uses advanced techniques like NMR and mass spectrometry to analyze biological systems. This review highlights essential bioinformatics tools for processing and interpreting the large datasets generated, aiding diverse research applications.

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Navigating the Mass Spectrometry-Based Proteomic Data Using Free Computational Tools
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Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)
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Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)

Published on: March 14, 2013

Related Experiment Videos

Last Updated: May 23, 2026

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
11:00

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)

Published on: May 20, 2013

Navigating the Mass Spectrometry-Based Proteomic Data Using Free Computational Tools
07:01

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

Published on: August 19, 2025

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)
07:34

Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry (UPLC-MS)

Published on: March 14, 2013

Area of Science:

  • Biochemistry
  • Systems Biology
  • Bioinformatics

Background:

  • Biological systems are increasingly studied holistically using omics approaches.
  • Metabolomics provides quantitative profiling of small molecules to understand dynamic biological responses.
  • Applications span basic research, clinical studies, agriculture, food science, and environmental science.

Purpose of the Study:

  • To provide a state-of-the-art overview of data processing tools for metabolomics.
  • To review recent reports and comparisons of available bioinformatics tools.
  • To guide readers through data conversion, pre-processing, alignment, normalization, and statistical analysis.

Main Methods:

  • Utilizes nuclear magnetic resonance (NMR) and mass spectrometry (MS) for high-resolution data generation.
  • Employs bioinformatics tools for processing and analyzing large, multidimensional datasets.
  • Reviews data processing steps including conversion, pre-processing, alignment, normalization, and statistical analysis.

Main Results:

  • Identifies key bioinformatics tools essential for handling large metabolomics datasets.
  • Compares advantages and disadvantages of various data processing techniques.
  • Highlights the importance of robust data analysis for meaningful interpretation of metabolomics studies.

Conclusions:

  • Bioinformatics tools are crucial for efficient processing and characterization of metabolomics data.
  • Understanding and applying appropriate data processing methods is vital for accurate biological insights.
  • This review serves as a guide for selecting and utilizing effective metabolomics data analysis tools.