Emma Schymanski

If this is something we want to try to implement systematically, I would prefer a new tag rather than overloading the COMMENT field with too many diverse comments. Either e.g....

Yes to considering MetaboLights and the MetabolomicsWorkbench but I have also heard a lot of feedback that it takes a while to get data into those two ...

Here is a reference to the twitter conversation over the weekend: https://twitter.com/martiwag/status/1145011749554393089 Main outcomes: - GNPS now gives DOIs - Should try if we can integrate GNPS and Zenodo (=>...

For the record Zenodo has 50 GB uploads - or contact them for larger.

> > Using the identifier: > > mzspec:MSV000082791:(-)-epigallocatechin:scan:1000 > > I think this would fit nicely Yes, but to hyperlink this would be difficult, we are wondering whether this should...

Metadata fieds in NORMAN DCTs: http://norman-data.eu/DCT_NTS.xlsx => sampling description sheet

Here is the way to link to MassIVE datasets: https://massive.ucsd.edu/ProteoSAFe/QueryMSV?id=MSV000084010 with the example of DOI: [10.25345/C50S8G](https://doi.org/10.25345/C50S8G) Thanks @mwang87

I bet it will get crowded, we'd like to us this to simplify metabolic reactions where we have atom maps, by reducing the chains and other "substructures" down to R...

Is that supported in the reaction SMILES as well? I couldn't find a way. The content in the |...| was missing in the examples I was sent... I will have...

I don't have ChemAxon so can't try the export directly and I also have a lot of structures from literature that I'm trying to represent correctly where I don't necessarily...