Is metabolome annotation required for module ID?

[eterlova]

Hello,

First, thanks for creating MoDentify! It looks like an amazing tool and I am excited to use it!

I have a dataset (basically peak intensity matrix) for a non-model species. Since it is non-model, annotation of my data is even more difficult than it usually is in metabolomics. My idea was to first find the modules of metabolites, and only then to attempt the annotation of my peaks.

Am I right that MoDentify requires an annotation file for identification of modules in my data even on the level of individual metabolites?

[Livia-Rasp]

Hello!

I think in your case it would be ok, if you just use a data.table or data.frame with just the column name as annotations. As names you could use some identifier of your peaks.
The annotation data.table is only really important, if you want to generate networks at the pathway level.

Also one additional thing. If you're using the visualization functions of our package, which uses Cytoscape, attributes from the annotation table, will also be in Cytoscape. So depending on that you could decide on putting some additional attributes into this table.

Don't hesitate to ask, if you have any further questions.

Best,
David

[eterlova]

Hi David,

Thanks for the reply, these are great news! I will try a nearly-empty annotation file.

Best,
Lisa