Duplicate entries of identical MS2 spectra in Athens_Univ MassBank data #351
Description
Dear @nalygizakis,
During a quality check, @kashout discovered several duplicate mass spectra in MassBank-data based on SPLASH comparison as mentioned in issue #346.
We would like to ask you to review your submitted spectra for correctness of annotations and spectra.
In case of real duplicates, you may consider to deprecate one of the duplicate spectra. The procedure for record deprecation is described in the MassBank Record Format. For reasons of provenance, records should not be deleted.
In your records, I see also some isobaric compounds and similar compounds generating exact similar spectra (e.g. carboline, PAHs). But for example duplicate group D660 seams to be a wrong annotation as structures of 4-Aminoantipyrine and O-Desmethyltramadol are dissimilar.
Please find the list of records below and attached in this file MassBank_duplicate_issues_Athens_Univ.csv.
Thanks so much in helping to improve quality of MassBank!
Please do not hesitate to contact us for any question.
Best wishes
Tobias