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- Title
MarVis-Filter: Ranking, Filtering, Adduct and Isotope Correction of Mass Spectrometry Data.
- 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.
- Subjects
MASS spectrometry methodology; HYDROCARBON metabolism; HYPOTHESIS; ALGORITHMS; ANALYSIS of variance; BIOMARKERS; BIOCHEMISTRY; ISOTOPES; MOLECULAR biology; RESEARCH funding; STATISTICS; UNSATURATED fatty acids; BIOINFORMATICS; PLANT extracts; DATA analysis software
- Publication
Journal of Biomedicine & Biotechnology, 2012, Vol 2012, p1
- ISSN
1110-7243
- Publication type
Article
- DOI
10.1155/2012/263910