MarVis-Filter: Ranking, Filtering, Adduct and Isotope Correction of Mass Spectrometry Data
2012 | journal article. A publication with affiliation to the University of Göttingen.
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MarVis-Filter: Ranking, Filtering, Adduct and Isotope Correction of Mass Spectrometry Data
Kaever, A.; Landesfeind, M.; Possienke, M.; Feussner, K.; Feussner, I. & Meinicke, P. (2012)
JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY, art. 263910. DOI: https://doi.org/10.1155/2012/263910
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Details
- Authors
- Kaever, Alexander; Landesfeind, Manuel; Possienke, Mareike; Feussner, Kirstin; Feussner, Ivo; Meinicke, Peter
- Abstract
- Statistical ranking, filtering, adduct detection, isotope correction, and molecular formula calculation are essential tasks in processing mass spectrometry data in metabolomics studies. In order to obtain high-quality data sets, a framework which incorporates all these methods is required. We present the MarVis-Filter software, which provides well-established and specialized methods for processing mass spectrometry data. For the task of ranking and filtering multivariate intensity profiles, MarVis-Filter provides the ANOVA and Kruskal-Wallis tests with adjustment for multiple hypothesis testing. Adduct and isotope correction are based on a novel algorithm which takes the similarity of intensity profiles into account and allows user-defined ionization rules. The molecular formula calculation utilizes the results of the adduct and isotope correction. For a comprehensive analysis, MarVis-Filter provides an interactive interface to combine data sets deriving from positive and negative ionization mode. The software is exemplarily applied in a metabolic case study, where octadecanoids could be identified as markers for wounding in plants.
- Issue Date
- 2012
- Status
- published
- Publisher
- Hindawi Publishing Corporation
- Journal
- JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY
- ISSN
- 1110-7243
- Sponsor
- Open-Access-Publikationsfonds 2012