MultiAlign: a multiple LC-MS analysis tool for targeted omics analysis

Lamarche, Brian L; Crowell, Kevin L; Jaitly, Navdeep; Petyuk, Vladislav A; Shah, Anuj R; Polpitiya, Ashoka D; Sandoval, John D; Kiebel, Gary R; Monroe, Matthew E; Callister, Stephen J; Metz, Thomas O; Anderson, Gordon A; Smith, Richard D

doi:10.1186/1471-2105-14-49

DOE OSTI · 1073563

MultiAlign: a multiple LC-MS analysis tool for targeted omics analysis

Lamarche, Brian L·Crowell, Kevin L·Jaitly, Navdeep·Petyuk, Vladislav A·Shah, Anuj R·Polpitiya, Ashoka D·Sandoval, John D·Kiebel, Gary R·Monroe, Matthew E·Callister, Stephen J·Metz, Thomas O·Anderson, Gordon A·Smith, Richard D

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Abstract

MultiAlign is a free software tool that aligns multiple liquid chromatography-mass spectrometry datasets to one another by clustering mass and LC elution features across datasets. Applicable to both label-free proteomics and metabolomics comparative analyses, the software can be operated in several modes. Clustered features can be matched to a reference database to identify analytes, used to generate abundance profiles, linked to tandem mass spectra based on parent precursor masses, and culled for targeted liquid chromatography-tandem mass spectrometric analysis. MultiAlign is also capable of tandem mass spectral clustering to describe proteome structure and find similarity in subsequent sample runs.

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Lamarche, Brian L, Crowell, Kevin L, Jaitly, Navdeep, Petyuk, Vladislav A, Shah, Anuj R, Polpitiya, Ashoka D, Sandoval, John D, Kiebel, Gary R, Monroe, Matthew E, Callister, Stephen J, Metz, Thomas O, Anderson, Gordon A, Smith, Richard D. 2013-02-12. MultiAlign: a multiple LC-MS analysis tool for targeted omics analysis. https://doi.org/10.1186/1471-2105-14-49

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