I have a list of compounds that came up after LC-MS/MS experiments for untargetted metabolomics. I do not have the KEGG IDs or HMDB IDs for those compounds. When I input this list in the online MetaboAnalyst tool, it says that more than half of the compounds could not be mapped to any databases. How do I surpass this issue without losing out on the data??
Abdelhak Maghchiche
To improve compound mapping in your LC-MS/MS metabolomics data, consider using alternative databases like METLIN and employing spectral matching tools such as GNPS or MassBank. Additionally, leverage cheminformatics tools for structure prediction and collaborate with experts to enhance compound identification.
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