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Related Concept Videos

Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse.
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...
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...

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Related Experiment Video

Updated: Jun 22, 2026

The Terroir Concept Interpreted through Grape Berry Metabolomics and Transcriptomics
13:02

The Terroir Concept Interpreted through Grape Berry Metabolomics and Transcriptomics

Published on: October 5, 2016

'Brukin2D': a 2D visualization and comparison tool for LC-MS data.

Dimosthenis Tsagkrasoulis1, Panagiotis Zerefos, George Loudos

  • 1Protein Chemistry/Proteomics Laboratory, Neuroscience Research Program, Biomedicum Helsinki, P.O. Box 63 (Haartmaninkatu 8) 00014 University of Helsinki, Finland. piv07010@di.uoa.gr

BMC Bioinformatics
|June 19, 2009
PubMed
Summary
This summary is machine-generated.

Brukin2D software visualizes complex Liquid Chromatography-Mass Spectrometry (LC-MS) data, enabling easy comparison of chromatogram compounds and mass spectra. This tool simplifies the analysis of large datasets from LC-MS experiments.

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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
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Last Updated: Jun 22, 2026

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Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography
10:14

Chromatographic Fingerprinting by Template Matching for Data Collected by Comprehensive Two-Dimensional Gas Chromatography

Published on: September 2, 2020

Area of Science:

  • Bioinformatics
  • Analytical Chemistry
  • Proteomics

Background:

  • Liquid Chromatography-Mass Spectrometry (LC-MS) is crucial for analyzing complex protein mixtures.
  • Visualizing large datasets from LC-MS, including chromatograms and mass spectra, presents a significant challenge.

Purpose of the Study:

  • To develop a user-friendly software tool for visualizing and comparing LC-MS data.
  • To facilitate the analysis of complex protein mixtures by integrating chromatogram and mass spectra visualization.

Main Methods:

  • Development of 'Brukin2D' software using Matlab 7.4.
  • Utilizing compound data exported from Bruker 'DataAnalysis' software.
  • Generating 2D contour/density plots for mean mass spectra of chromatogram compounds.

Main Results:

  • 'Brukin2D' displays mean mass spectra in a single 2D plot for LC-MS runs.
  • Allows simultaneous viewing and automatic comparison of two contour plots from different runs.
  • Provides detailed mass quantification tables and calculates chromatogram compound statistics.

Conclusions:

  • 'Brukin2D' offers an integrated, user-friendly platform for viewing complex LC-MS data.
  • The software facilitates quick and easy analysis of similarities and differences between LC-MS runs.
  • The software is freely available for researchers at http://www.bioacademy.gr/bioinformatics/Brukin2d/index.html.