TagFinder

- Deprecated

Website

http://www.mpimp-golm.mpg.de/10871/Supplementary_Materials

Description

This provides tools for the preprocessing of GC-MS data. It is recommended that data that has already been smoothed and baseline corrected is used, as these features are not available in TagFinder. Firstly sample classes are annotated. Internal standards are then used for RI calculation, using linear interpolation between RT anchors. Mass fragments are then sorted by m/z and RI, aligning and binning them into mass tags. Mass tags are grouped into time groups by the overlap of RI windows. As time groups can contain mass tags of multiple co-eluting compounds, Pearson/ Spearman correlation is used to find correlated clusters of tags. Compounds are then identified using RI libraries of authenticated standards. TagFinder is not currently available to download, as the link to the download page is missing. CORRECTOR, a TagFinder based tool for mass-isotope correction of GC-MS flux experiments is, but not TagFinder itself.

Functionality

• Preprocessing
• Annotation/MS

Instrument Data Type

• MS/GC-MS

Approaches

• Metabolomics/Untargeted

Computer Skills

Medium

Software Type

• Package

Interface

• Graphical User Interface

Operating System (OS)

Unix/Linux

Language

Java

Dependencies

≥ 1.5 Java runtime environment

Input Formats - Open

netCDF, MetAlign output

Input Formats - Proprietary

N/A

Published

2008

Last Updated

2012

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/22351182

PMID

22351182