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Related Concept Videos

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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Mass Spectrometry: Overview01:19

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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 Analyzers: Overview01:13

Mass Analyzers: Overview

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The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
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Mass Analyzers: Common Types01:19

Mass Analyzers: Common Types

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The quadrupole mass analyzer consists of four cylindrical metal rods arranged in a diamond carrying a DC voltage and a radio-frequency AC voltage. The motion of ions through the quadrupole depends on the field strength, causing only ions of a certain m/z to resonate successfully and strike the detector at a given field strength. Though the transmission rate for these analyzers is high, the exact elemental composition of the sample is not determined because of low resolution; however, they are...
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Mass Spectrometry: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

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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.
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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Updated: Feb 18, 2026

Simultaneous Affinity Enrichment of Two Post-Translational Modifications for Quantification and Site Localization
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Fast, axis-agnostic, dynamically summarized storage and retrieval for mass spectrometry data.

Kyle Handy1, Jebediah Rosen1, André Gillan1

  • 1Department of Computer Science, University of Montana, Missoula, Montana, United States of America.

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|November 16, 2017
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Summary

This study introduces MzTree, a novel spatial database for mass spectrometry (MS) data. MzTree enhances data retrieval speed and enables dynamic summarization for efficient analysis of complex MS datasets.

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Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Computational Biology

Background:

  • Mass spectrometry (MS) generates large, complex datasets (m/z, retention time, intensity).
  • Current MS data formats, primarily retention time-based, introduce latency for m/z data access.
  • Existing storage solutions lack dynamic summarization and metadata retrieval, hindering efficient data viewing and processing.

Purpose of the Study:

  • To present MzTree, a spatial database optimized for MS data.
  • To enable real-time storage and retrieval of mass spectrometry data.
  • To improve performance in both m/z and retention time (RT) dimensions.

Main Methods:

  • Development of MzTree, a spatial database system.
  • Implementation of dynamic summarization features.
  • Testing and performance evaluation using real-world MS data.

Main Results:

  • MzTree provides real-time storage and retrieval of MS data.
  • The database demonstrates fast performance in both m/z and RT directions.
  • Comparison with existing retrieval systems highlights MzTree's advantages.

Conclusions:

  • MzTree offers an efficient solution for managing and accessing mass spectrometry data.
  • The spatial database architecture overcomes limitations of traditional retention time-based formats.
  • This approach facilitates advanced data viewing and processing applications in MS analysis.