MassBank-data
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MassBank
Official repository of open data MassBank records
I'm currently importing the data into a database, my code is failing sometimes because of some errors in the data, I'll report more when I find it. in AU113804 in...
Dear @m-arita, a good friend of MassBank reported some issues with RIKEN derived mass spectra. Could you curate the records, please? >Some of the exact masses provided by Riken are...
Hei, I stumbled into an issue with the RIKEN/PR3* spectra. It seems, that the exact mass is not correctly calculated. Let's look at the following example: [PR302491.txt](/MassBank/MassBank-data/tree/master/RIKEN/PR302491.txt) ``` CH$FORMULA: C27H32O15...
Hi, RMassBank or one of the used databases provides sometimes chemical names in different capitalization. However, the validator is not case sensitive. I think the validator should be less picky...
The following fields and entries do not comply to the latest Record Format and should be changed in the data for harmonisation. **Those tags are wrongly used or the terms...
User reported that SM858902 and SM858951 contain spectral data from acetylsulfamethoxazole but are labeled diphenhydramine (thank you!). Upon closer inspection we seem to have had an ID/Precursor&peaks mismatch for 3...
Mix of voltage representations (2000 V, 2 kV). I suggest to standardise from V to kV: 2000 V -> 2 kV 160 V -> 0.16 kV
I'm not sure how this got through the validator but it doesn't look like these meet the Record Format requirements? @meier-rene can you look into this? Thanks!  Multiple names...
Would it be possible to search database by using m/z vs absolute intensity format? When I copy/paste a spectrum directly from MassLynx it gives me m/z intensity format which the...
#MetSoc2019, Towards FAIR Spectral Libraries workshop. There is a request to make raw mass spectral files associated with MassBank records available for the public via any repository. Should be vendor's...