Tentative formula download

[j-a-dietrich]

Is it possible to download the tentative formulas when available?

[michaelwenk]

Hi Jonas,
could you please be more precise in what you are exactly looking for?
Each MassBank record should have a molecular formula.

And, at the moment, only entire MassBank records can be downloaded. Three different formats are available.
Either via the graphical web interface (single entries or multiple ones from a search result) or directly through the export service API.

Kind regards,
Michael

[j-a-dietrich]

Hi Michael,
When you select a spectrum (for example: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101802) and then scroll down you can see the peak annotation table. In the peak annotation table are given m/z values and their tentative formula. I would be interested in downloading basically this table.

[michaelwenk]

The download of specific table content (e.g. peak annotation table) within the single record view page and peak table/neutral loss table is implemented now and will be available with the next MassBank release.