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Related Concept Videos

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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NMR Spectroscopy: Chemical Shift Overview01:15

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The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an internal reference while recording spectra. The difference between the absorption frequencies of the sample and TMS (in Hz) is divided by the spectrometer operating frequency (in MHz) to obtain a dimensionless quantity called the chemical shift. It is reported on the δ (delta) scale and expressed in parts per million.
For instance, the proton...
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NMR Spectrometers: Resolution and Error Correction01:14

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When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
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Inductively coupled plasma–mass spectrometry (ICP–MS) is a highly selective and sensitive technique for accurate elemental analysis. Though the analysis of ICP–MS mass spectra is comparatively straightforward, it is affected by spectroscopic and non-spectroscopic interferences. Spectroscopic interferences arise when the plasma contains ionic species with an m/z value the same as the analyte ion. Spectroscopic interference can be categorized as isobaric, polyatomic ions, and...
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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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Peptide Identification Using Tandem Mass Spectrometry01:33

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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.
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Liquid Chromatography Coupled to Refractive Index or Mass Spectrometric Detection for Metabolite Profiling in Lysate-based Cell-free Systems
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Tutorial: Correction of shifts in single-stage LC-MS(/MS) data.

Vikram Mitra1, Age K Smilde2, Rainer Bischoff1

  • 1Analytical Biochemistry, Department of Pharmacy, University of Groningen, A. Deusinglaan 1, 9713 AV Groningen, The Netherlands.

Analytica Chimica Acta
|December 20, 2017
PubMed
Summary

This tutorial addresses shifts in label-free liquid chromatography-mass spectrometry (LC-MS(/MS)) data quality. It explains how to correct monotonic shifts and assess non-monotonic shifts for improved data comparability.

Keywords:
Label-free quantificationOrthogonalityRetention time alignmentShift correction

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Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Proteomics

Background:

  • Label-free LC-MS(/MS) is crucial for quantitative profiling of proteins and metabolites.
  • MS1 maps from LC-MS(/MS) experiments are vital for quantitative analysis but susceptible to experimental variations.
  • Variations in experimental conditions and instrument parameters affect MS1 map quality, hindering comparative analyses.

Purpose of the Study:

  • To discuss types of shifts (monotonic and non-monotonic) in MS1 maps.
  • To explain reasons for these shifts in separation dimensions and ion intensity.
  • To present algorithms for correcting monotonic shifts and assessing non-monotonic shifts.

Main Methods:

  • Assessment of MS1 map quality based on retention time, mass-to-charge ratio, and ion intensity.
  • Discussion of algorithms for correcting monotonic shifts.
  • Methods for assessing non-monotonic shifts and their relation to peak elution order inversion.

Main Results:

  • Monotonic shifts in MS1 maps can be corrected, improving data comparability.
  • Non-monotonic shifts can only be assessed, not corrected, due to complexity.
  • Understanding shift types is essential for generating and pre-processing comparable MS1 maps.

Conclusions:

  • This tutorial provides guidance for scientists on producing and pre-processing comparable MS1 maps.
  • It highlights the importance of addressing shifts for accurate quantitative LC-MS(/MS) data analysis.
  • The methods discussed aid in enhancing the reliability and interpretability of proteomic and metabolomic data.