Abstract
Liquid chromatography coupled to mass spectrometry (LC/MS) has been
widely used in proteomics and metabolomics research. In this context, the
technology has been increasingly used for differential profiling, i.e. broad
screening of biomolecular components across multiple samples in order to
elucidate the observed phenotypes and discover biomarkers. In the field of
bioinformatics, multiple new software packages for processing LC/MS data have
been released recently. We have introduced MZmine, an open source software
for processing of LC/MS profile data, with applicability for both metabolomics
and proteomics.1 This software is a toolbox containing methods for all data
processing stages preceding differential analysis: spectral filtering, peak
detection, alignment and normalization. We will present the latest
developments related to the software, such as the isotope pattern detection
and the normalization method based on multiple internal standards. The MZmine
is designed as stand-alone Java application with easy-to-use graphical user
interface, which provides tools for data visualization and first-step
exploratory data analysis. Software supports batch processing and distributed
computing, extending the applicability to large sample sets. MZmine is freely
available under the GNU General Public License and it can be obtained from the
project web page at: http://mzmine.sourceforge.net/.
| Original language | English |
|---|---|
| Publication status | Published - 2006 |
| MoE publication type | Not Eligible |
| Event | 17th International Mass Spectrometry Conference - Prague, Czech Republic Duration: 27 Aug 2006 → 1 Sept 2006 |
Conference
| Conference | 17th International Mass Spectrometry Conference |
|---|---|
| Country/Territory | Czech Republic |
| City | Prague |
| Period | 27/08/06 → 1/09/06 |
Keywords
- Biomarkers
- Computational Methods
- Computer Program
- Metabolic Profiling