MassBank-data icon indicating copy to clipboard operation
MassBank-data copied to clipboard

Published 20 hours ago • verified publisher icon MassBank

A few spectra that may need recalibration

Open tsufz opened this issue 4 years ago • 2 comments

@nalygizakis, I got the following notice via email. There are some issues with some of your records. Could you check them, please?

The original message: I noticed yesterday that the masses of a few spectra of flunixin in MassBank differ more than usual from the theoretical masses. I believe that some of the fragment ion formula assignments used for the recalibration were incorrect. For example loss of 33 (H2O and CH3) is assigned as loss of N2H5.

Perhaps these spectra could be recalibrated with the correct formulas: AU115703 to AU115705 and AU114803 to AU114805

Best, Tobias

tsufz avatar Sep 02 '20 15:09 tsufz