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Mass Spectrometry: Overview01:19

Mass Spectrometry: Overview

5.7K
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 electrospray 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...
5.7K
Mass Spectrometers01:16

Mass Spectrometers

5.9K
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:
5.9K
Mass Spectrum01:23

Mass Spectrum

2.3K
A mass spectrum is the graphical representation of the relative abundance of the charged fragments in an analyte plotted against their mass-to-charge ratio (m/z). The plot's x axis represents the ratio of the mass of the charged fragment to the elementary charge it carries. The y axis of the plot represents the relative abundance of each charged species. The relative abundance is calculated from the signal intensity of each charged species recorded at the detector. The most intense signal...
2.3K
Mass Spectrometry: Molecular Fragmentation Overview01:20

Mass Spectrometry: Molecular Fragmentation Overview

3.6K
The ionization of a molecule into a molecular ion inside the mass spectrometer causes instability in the molecule's structure due to the loss of an electron. This eventually leads to the fragmentation or breaking of some bonds in the molecule. The fragmentation occurs predominantly at specific bonds to yield relatively stable fragments.
One type of fragmentation pattern is the cleavage of a single bond in the molecular ion. The cleavage leads to a radical and a cation. The cleavage can...
3.6K
Tandem Mass Spectrometry01:21

Tandem Mass Spectrometry

1.2K
Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and signal-to-noise ratio for the analyte. 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 collision-induced...
1.2K
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

881
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...
881

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Updated: Sep 3, 2025

Mass Spectrometry-Guided Genome Mining as a Tool to Uncover Novel Natural Products
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MAVEN2: An Updated Open-Source Mass Spectrometry Exploration Platform.

Phillip Seitzer1, Bryson Bennett1, Eugene Melamud1

  • 1Calico Life Sciences, LLC, South San Francisco, CA 94080, USA.

Metabolites
|July 27, 2022
PubMed
Summary

MAVEN2 is a major update to the open-source MAVEN software, enhancing metabolomics and lipidomics analysis with new algorithms for MS/MS spectral matching and an improved in-silico lipidomics library.

Keywords:
GUIfragmentationidentificationlipidomicsmetabolomicsopen-sourcesoftwarevisualization

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Area of Science:

  • Biochemistry
  • Computational Biology
  • Analytical Chemistry

Background:

  • The original MAVEN software, released in 2010, has been periodically updated to keep pace with advancements in mass spectrometry.
  • Liquid chromatography-mass spectrometry (LC-MS) is a critical technology in metabolomics and lipidomics research.

Purpose of the Study:

  • To introduce MAVEN2, a significant update to the MAVEN software, designed for enhanced LC-MS/MS analysis of metabolomics and lipidomics data.
  • To develop and validate new algorithms for MS/MS spectral matching and efficient searching of large fragmentation libraries.
  • To introduce a novel in-silico lipidomics library to improve lipid identification accuracy.

Main Methods:

  • Development of algorithms for MS/MS spectral matching and rapid searching of large-scale fragmentation libraries.
  • Creation of a novel in-silico lipidomics library encompassing major lipid classes.
  • Validation of MAVEN2's identification capabilities using spiked standards in water and yeast backgrounds.
  • Comparison of search results using the novel in-silico library against existing libraries.

Main Results:

  • MAVEN2 supports advanced LC-MS/MS analysis for both metabolomics and lipidomics.
  • New algorithms enable efficient MS/MS spectral matching and database searching.
  • The novel in-silico lipidomics library improves lipid identification workflows.
  • The software demonstrates effectiveness in distinguishing authentic metabolite identifications from spurious ones.

Conclusions:

  • MAVEN2 represents a substantial advancement in open-source software for metabolomics and lipidomics data analysis.
  • The updated algorithms and novel lipidomics library enhance the accuracy and efficiency of metabolite and lipid identification.
  • MAVEN2 is freely available, promoting wider accessibility for researchers in the field.