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Related Concept Videos

Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

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.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...

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Related Experiment Video

Updated: May 15, 2026

Laser Microdissection-Based Protocol for the LC-MS/MS Analysis of the Proteomic Profile of Neuromelanin Granules
07:35

Laser Microdissection-Based Protocol for the LC-MS/MS Analysis of the Proteomic Profile of Neuromelanin Granules

Published on: December 16, 2021

Comprehensive analysis of LC/MS data using pseudocolor plots.

Christopher A Crutchfield1, Matthew T Olson, Evgenia Gourgari

  • 1National Institutes of Health, Bethesda, MD 20892, USA.

Journal of the American Society for Mass Spectrometry
|January 4, 2013
PubMed
Summary
This summary is machine-generated.

New pseudocolor plot applications enhance liquid chromatography-mass spectrometry (LC/MS) data analysis for human biofluid studies. These methods simplify discovery, enabling untargeted metabolomics even with low-resolution instruments.

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Last Updated: May 15, 2026

Laser Microdissection-Based Protocol for the LC-MS/MS Analysis of the Proteomic Profile of Neuromelanin Granules
07:35

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Published on: December 16, 2021

Automated Analysis of Dynamic Ca2+ Signals in Image Sequences
06:49

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Published on: June 16, 2014

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)
11:00

Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry (UPLC-HRMS)

Published on: May 20, 2013

Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Bioinformatics

Background:

  • Liquid chromatography-mass spectrometry (LC/MS) generates complex data from human biofluids.
  • Analyzing this data for discovery-based research, such as steroid hormone profiling, presents challenges.
  • Existing workflows often require extensive spectral alignment and preprocessing.

Purpose of the Study:

  • To develop novel pseudocolor plot applications for enhanced LC/MS data analysis.
  • To introduce new metrics and analytical approaches for metabolomics.
  • To demonstrate a simplified discovery workflow for mass spectrometry.

Main Methods:

  • Pseudocolor plot applications for spectral averaging, analysis of variance, and differential comparison.
  • Introduction of a relative maximum difference from the mean variance metric.
  • Substructure-dependent analysis using precursor ion scans for steroid hormones.

Main Results:

  • Demonstrated applications for qualitative filtering by compound class.
  • Successfully profiled steroid hormones in human urine samples comparing a Cushing's disease patient to a healthy control.
  • Showcased an approach that minimizes spectral alignment and preprocessing.

Conclusions:

  • New pseudocolor plot applications offer powerful tools for LC/MS data interpretation.
  • The developed methods facilitate untargeted metabolomics, even with low-resolution mass spectrometry.
  • These techniques provide an alternative to traditional metabolomics workflows, simplifying discovery.