Automated interpretation of mass spectra of complex mixtures by matching of isotope peak distributions

Rapid Communications in Mass Spectrometry : RCM
Jorge Fernández-de-CossioToshifumi Takao

Abstract

Mass spectrometry is now firmly established as a powerful technique for the identification and characterization of proteins when used in conjunction with sequence databases. Various approaches involving stable-isotope labeling have been developed for quantitative comparisons between paired samples in proteomic expression analysis by mass spectrometry. However, interpretation of such mass spectra is far from being fully automated, mainly due to the difficulty of analyzing complex patterns resulting from the overlap of multiple peaks arising from the assortment of natural isotopes. In order to facilitate the interpretation of a complex mass spectrum of such a mixture, such as an MS spectrum of a stable-isotope-enriched ion species, we report on the development of a software application, 'Matching' (web accessible), that enables the automatic matching of theoretical isotope envelopes to multiple ion peaks in a raw spectrum. It is particularly useful for resolving the relative abundances of narrow-split paired peaks caused by enrichment with a stable isotope, such as 18O, 13C, 2H, or 15N.

References

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Jun 25, 2004·Nucleic Acids Research·Jorge Fernandez-de-CossioToshifumi Takao

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Citations

Oct 9, 2007·Journal of the American Society for Mass Spectrometry·Leonie F WaandersMatthias Mann
Sep 1, 2009·Journal of the American Society for Mass Spectrometry·John C L ErveRasmy E Talaat
Jan 21, 2011·Journal of Proteome Research·Alexey V NefedovRovshan G Sadygov
Aug 30, 2008·BMC Bioinformatics·Bernhard Y RenardFred A Hamprecht
Dec 30, 2011·Biometals : an International Journal on the Role of Metal Ions in Biology, Biochemistry, and Medicine·Shibojyoti LahiriDipak Dasgupta
May 5, 2012·Protein Expression and Purification·Ansgar Brock
Nov 7, 2006·Mass Spectrometry Reviews·Masaru Miyagi, K C Sekhar Rao
Aug 1, 2012·Mass Spectrometry Reviews·Eva Rodríguez-Suárez, Anthony D Whetton
May 6, 2015·Analytical Chemistry·David P A KilgourDavid R Goodlett
Nov 18, 2015·BioMed Research International·Arielis Rodríguez-UlloaMaribel Guerra-Vallespí
Nov 7, 2012·Analytical Chemistry·Masafumi Fukuda, Toshifumi Takao
Mar 23, 2011·Analytical Chemistry·Jorge Fernandez-de-Cossio
Mar 10, 2018·Rapid Communications in Mass Spectrometry : RCM·Guang XuJianjun Li
Jul 10, 2010·Analytical Chemistry·Jorge Fernandez-de-Cossio
Sep 2, 2010·Journal of Proteome Research·Arielis Rodríguez-UlloaSilvio E Perea

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