Metaboanalyst
Metaboanalyst is an online platform on which you can load, normalize, analyse and visualise your untargeted metabolomics data. Be careful though - there is a strong emphasis on detailed stats that are more appropriate for targeted analyses.
💡 Metaboanalyst is interoperable with R - you can access the code with the button at the top left of the Results page
We will not provide a lot of details here because the tutorials and documentation for Metaboanalyst are very good.
If you have created your peak table using our code for MALDI/DI-ESI-MS or LC-ESI-MS, then you will now have the files formatted ready for use in Metaboanalyst.
If your experiment included just one treatment (or variable) e.g. a case vs control, then you can use Statistical analysis one factor and upload the file named:
"Untargeted_metabolomics_workflow\Tidy_data\MALDI_Data_for_metaboanalyst_1factor.csv"or"Untargeted_metabolomics_workflow\Tidy_data\XCMS_Data_for_metaboanalyst_1factor.csv"
If your experiment included multiple treatments (or variables), batch information or other metadata, then you need to use Statistical analysis metadata table and upload two files:
"Untargeted_metabolomics_workflow\Tidy_data\MALDI_Data_for_metaboanalyst_2factor.csv"or"Untargeted_metabolomics_workflow\Tidy_data\XCMS_Data_for_metaboanalyst_2factor.csv""Untargeted_metabolomics_workflow\Tidy_data\MALDI_metadata_for_metaboanalyst.csv"or"Untargeted_metabolomics_workflow\Tidy_data\XCMS_metadata_for_metaboanalyst.csv"
On the upload page, make sure to select “Peak Intensities”, “Samples in rows” and to add the relevant .csv files.
