For small molecule and metabolomics data, the following software packages are routinely employed:
• Compound Discoverer (Thermo Scientific)
• ToxID (Thermo Scientific)
• Xcalibur (Thermo Scientific)
• XCMS (Scripps Center for Metabolomics)
• METLIN (Scripps Center for Metabolomics)
For proteomics data, the following software packages are routinely employed:
• Proteome Discoverer (Thermo Scientific)
• The GPM (Global Proteome Machine Organization)
Several useful databases for identification of molecules include:
• Human Metabolome Database
• Yeast Metabolome Database
• E.coli Metabolome Database
• Metlin
• Chemspider
