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MassBank / MassBank-web

The web server application and directly connected components for a MassBank web server
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adduct definitions in ION_TYPE #217

Open michaelwitting opened 4 years ago

michaelwitting commented 4 years ago

Hi,

I have seen that there are only limited number of adducts supported in the ION_TYPE field. I'm currently collecting adduct definitions and synonyms in different software tools, DBs etc.

https://docs.google.com/spreadsheets/d/1r4dPw1shIEy_W2BkfgPsihinwg-Nah654VlNTn8Gxo0/edit?usp=sharing

If you want you can use the definitions and add them to the MassBank documentation.

Michael

tsufz commented 4 years ago

Hi Micheael, Great work. However, we need to sort out which adducs and ion types are really helpful. In some cases, the loss is the adduct itself. Not very diagnostic. Good point for Dagstuhl...

michaelwitting commented 4 years ago

Yes, of course you can choose what to use in MassBank. I'm just collecting what people are using, have seen, are expecting.

schymane commented 4 years ago

It would also be interesting to provide him the list of all adducts currently in MassBank (in case they aren't in the documentation) so that they are considered in his effort.