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Related Concept Videos

Mass Analyzers: Common Types01:19

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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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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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QuantyFey: An open-source tool for targeted LC-MS quantification with integrated drift correction.

Markus Aigensberger1, Christoph Bueschl2, Barbara U Metzler-Zebeli3

  • 1BOKU University, Institute of Bioanalytics and Agro-Metabolomics, Department of Agricultural Sciences, Konrad-Lorenz-Straße 20, 3430, Tulln, Austria; Christian Doppler Laboratory for Innovative Gut Health Concepts of Livestock, 1210, Vienna, Austria.

Analytica Chimica Acta
|September 29, 2025
PubMed
Summary
This summary is machine-generated.

QuantyFey software addresses signal intensity drift in quantitative LC-MS/MS analysis, offering multiple correction strategies for improved data quality when internal standards (IS) are limited. This open-source tool enhances accuracy in complex experimental setups.

Keywords:
Intensity-driftLC-MSRShinyTandem mass spectrometryTargeted metabolomics

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Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Metabolomics

Background:

  • Signal intensity drift is a significant challenge in quantitative liquid chromatography-tandem mass spectrometry (LC-MS/MS).
  • Limited availability of internal standards (IS) and vendor-specific correction methods hinder data quality.
  • Existing platforms often lack support for alternative drift correction strategies like quality control (QC)-based correction or quantification bracketing.

Purpose of the Study:

  • To develop QuantyFey, an open-source, vendor-independent tool for quantitative LC-MS/MS analysis.
  • To implement and evaluate multiple drift correction strategies, including IS correction, QC-based correction, and bracketing methods.
  • To provide a flexible framework for compound-specific quantification and data quality maintenance.

Main Methods:

  • Application of QuantyFey to a targeted LC-MS/MS dataset of metabolites in porcine plasma.
  • Utilized a calibration standard as a proxy for a QC sample.
  • Comparison of IS correction, QC-based drift correction, custom bracketing, and weighted bracketing strategies.
  • Assessment of remaining intensity drift and quantification accuracy after applying different correction methods.

Main Results:

  • Both QC-based and IS-based drift correction significantly reduced signal drift effects in the LC-MS/MS data.
  • Custom and weighted bracketing methods improved quantification accuracy but showed variable performance across different compounds.
  • Evaluation highlighted the importance of selecting drift correction strategies based on compound-specific behavior.

Conclusions:

  • QuantyFey provides a transparent and accessible solution for quantitative LC-MS/MS analysis, particularly when drift correction is crucial and IS are scarce.
  • The tool's flexible design supports compound-specific evaluation and quantification, addressing challenges in complex datasets.
  • QuantyFey enhances data quality and reproducibility by offering tailored drift correction strategies.