MAVEN

Version: 769

Website

http://genomics-pubs.princeton.edu/mzroll/index.php

Description

Metabolomics and visualisation engine (MAVEN) provides a processing pipeline for LC-MS data including: preprocessing, annotation and metabolite identification. For feature detection each scan is sequentially searched for consecutive scans containing the same m/z within the user set mass error, if an m/z value fulfills this requirement, then it is considered a feature. A binary search algorithm is used to extract the EIC from every retention time window. The EIC baseline is then calculated by first removing the 20% most intense peaks then Gaussian smoothing is used on the remaining peaks. Peaks are then grouped across samples: EICs for a given m/z are summed across samples and these define 'groups', which individual EICs are assigned by overlapping retention times. Retention times are then aligned using iterative fitting with a global third degree polynomial. Peak quality scores are reported to enable to user to identify high quality peaks. KEGG Compounds can be used to putatively identify features. Significant difference between the metabolites of two datasets can be identified by using fold-change calculations.

Functionality

• Workflow

Instrument Data Type

• MS/LC-MS

Approaches

• Untargeted

Computer Skills

Advanced

Software Type

Package

Interface

Graphical user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

C++

Dependencies

N/A

Input Formats - Open

mzXML

Input Formats - Proprietary

N/A

Published

2008

Last Updated

2013

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/21049934

PMID

21049934