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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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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.
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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MALDI-TOF Mass Spectrometry01:19

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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...
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Mass Spectrometry: Complex Analysis01:21

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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.
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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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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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Selected Reaction Monitoring Mass Spectrometry for Absolute Protein Quantification
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DetectTLC: Automated Reaction Mixture Screening Utilizing Quantitative Mass Spectrometry Image Features.

Chanchala D Kaddi1, Rachel V Bennett2,3, Martin R L Paine2

  • 1Wallace H. Coulter Department of Biomedical Engineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA.

Journal of the American Society for Mass Spectrometry
|October 29, 2015
PubMed
Summary

DetectTLC software automates the analysis of mass spectrometry imaging data coupled with thin layer chromatography (TLC) to identify unknown compounds in complex mixtures. This accelerates the characterization of reaction products, aiding in mechanistic studies and optimization.

Keywords:
Ambient MSDESI MSData processingFeature detectionImaging mass spectrometry

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Area of Science:

  • Analytical Chemistry
  • Chemical Analysis
  • Spectroscopy

Background:

  • Characterizing complex reaction mixtures is crucial for understanding chemical processes and optimizing outcomes.
  • Mass spectrometry imaging (MSI) coupled with thin layer chromatography (TLC) provides molecular-level insights but manual analysis of unknown spots is time-consuming.
  • Automated data analysis is needed to fully leverage the potential of hyphenated MSI-TLC techniques.

Purpose of the Study:

  • To develop an automated approach, DetectTLC, for identifying unknown compounds in MSI-TLC data.
  • To accelerate the mining of imaging data for components within complex mixtures.
  • To enhance structural elucidation by spatially matching precursor and product ions.

Main Methods:

  • Development of DetectTLC software for automatic detection of TLC spot-like regions in MS molecular images.
  • Implementation of spatial matching algorithms for correlating data from high and low collision-energy scans.
  • Application of DetectTLC to analyze products from abiotic synthesis of nucleoside analogs.

Main Results:

  • DetectTLC successfully identifies m/z values corresponding to TLC spots in MS images.
  • The software enables spatial correlation of precursor and product ions, facilitating structural identification.
  • Application to nucleoside analog synthesis confirmed the identification of previously unknown reaction products.

Conclusions:

  • DetectTLC significantly accelerates the analysis of MSI-TLC data, overcoming limitations of manual spot detection.
  • The automated approach enhances the identification and structural confirmation of unknown compounds in complex chemical mixtures.
  • This method broadens the applicability of MSI-TLC for mechanistic studies and reaction optimization.