Research
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MetFrag searches molecular databases with the provided peaklist, and returns a result list based on the number of peaks explainable by a compound.
Spectral databases such as MassBank are time-consuming to create, and inherently "incomplete". Molecular databases such as PubChem or KEGG) offer a much larger variety of compounds, including the molecular structure. MetFrag is considered as a supplement to spectral libraries, not a replacement. MetFrag BioMoby Interface In addition to the web frontend, we also provide access to MetFrag via BioMoby compatible web services.
Taverna Integration of MetFragThe Taverna workbench allows to integrate the MetFrag services into larger workflows, and provide e.g. ChemSpider Services or KEGG Pathway information for the compounds found.
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 Tools and DB's
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