MRMPROBS suite for metabolomics using large-scale MRM assays | Zendy

Hiroshi Tsugawa | Zendy; Mitsuhiro Kanazawa | Zendy; Atsushi Ogiwara | Zendy; Masanori Arita | Zendy

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MRMPROBS suite for metabolomics using large-scale MRM assays

Author(s) -

Hiroshi Tsugawa,

Mitsuhiro Kanazawa,

Atsushi Ogiwara,

Masanori Arita

Publication year - 2014

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btu203

Subject(s) - computer science , software , pipeline (software) , software suite , visualization , graphical user interface , scale (ratio) , identification (biology) , database , mit license , data mining , operating system , biology , physics , quantum mechanics , botany

We developed new software environment for the metabolome analysis of large-scale multiple reaction monitoring (MRM) assays. It supports the data format of four major mass spectrometer vendors and mzML common data format. This program provides a process pipeline from the raw-format import to high-dimensional statistical analyses. The novel aspect is graphical user interface-based visualization to perform peak quantification, to interpolate missing values and to normalize peaks interactively based on quality control samples. Together with the software platform, the MRM standard library of 301 metabolites with 775 transitions is also available, which contributes to the reliable peak identification by using retention time and ion abundances.

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