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Upload of HRMS/MS spectra of newly acquired PFAS #221

Closed nalygizakis closed 1 year ago

nalygizakis commented 1 year ago

Hi MassBank team,

I upload 91 new MassBank records. The records contain the HRMS/MS spectra of newly acquired PFAS. The records are in the Athens University folder.

Kind regards, Nikiforos

meowcat commented 1 year ago

Hi Nikiforos,

Thanks for your contribution! Somehow your records have MODE instead of ION_MODE, can you fix this?

nalygizakis commented 1 year ago

Yes, I can change MODE to ION_MODE.

I have few more changes in mind:

1)I would like to delete few specific records: MSBNK-Athens_Univ-AU508368 MSBNK-Athens_Univ-AU509479 MSBNK-Athens_Univ-AU510169 MSBNK-Athens_Univ-AU510367 MSBNK-Athens_Univ-AU510379

2) I want to search for the adduct "[M+CH3COOH-H]-" which may add few more records. Some PFAS are not ionized as [M-H]-

My suggestion is to cancel the pull request for now and I will come back to you soon.

Kind regards, Nikiforos

tsufz commented 1 year ago

Hi @nalygizakis, thank you so much for your contribution. If the records are part of the new contributions, delete the records from your repository. If the records are already part of a previous release. Deprecate the record by adding the DEPRECATED tag to the respective record(s). We want to keep deprecated records in the collection for provenance reason, but it will be not included in search results on MassBank.

Yours Tobias