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Related Concept Videos

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...
Mass Spectrometers01:16

Mass Spectrometers

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:
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...
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: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

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.
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can occur at...

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Quantification of Site-specific Protein Lysine Acetylation and Succinylation Stoichiometry Using Data-independent Acquisition Mass Spectrometry
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Quantification of Site-specific Protein Lysine Acetylation and Succinylation Stoichiometry Using Data-independent Acquisition Mass Spectrometry

Published on: April 4, 2018

Wave-spec: a preprocessing package for mass spectrometry data.

Ming Li1, Shuo Chen, Joan Zhang

  • 1Department of Biostatistics, Vanderbilt University, Nashville, Tennessee 37232, USA.

Bioinformatics (Oxford, England)
|January 7, 2011
PubMed
Summary
This summary is machine-generated.

Wave-spec is a novel pre-processing package for mass spectrometry (MS) data. It offers new algorithms to address common MS data challenges, demonstrated on a MALDI dataset.

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Area of Science:

  • Biostatistics
  • Computational Biology
  • Mass Spectrometry Data Analysis

Background:

  • Mass spectrometry (MS) data pre-processing presents conventional challenges.
  • Existing methods may not fully address complexities in MS data.
  • A new software package, Wave-spec, has been developed to overcome these difficulties.

Purpose of the Study:

  • To introduce and demonstrate the application of the Wave-spec pre-processing package.
  • To provide a step-by-step guide for utilizing Wave-spec on real-world data.
  • To highlight the novel algorithms within Wave-spec for MS data analysis.

Main Methods:

  • Utilized the Wave-spec pre-processing package.
  • Applied the package to a real-world MALDI (Matrix-Assisted Laser Desorption/Ionization) dataset.
  • Detailed a step-by-step workflow for data pre-processing using Wave-spec.

Main Results:

  • Successfully applied Wave-spec to a MALDI dataset.
  • Demonstrated the package's capability to handle conventional pre-processing difficulties.
  • Provided a practical example of Wave-spec implementation.

Conclusions:

  • Wave-spec offers a viable solution for MS data pre-processing.
  • The package's novel algorithms enhance the analysis of complex MS datasets.
  • Accessible resources and support are available for Wave-spec users.