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Published 20 hours ago • verified publisher icon MassBank

Inconsistency in data for records on MssBank vs MoNA

Open ChemConnector opened this issue 5 years ago • 5 comments

I am comparing the MoNA record at http://mona.fiehnlab.ucdavis.edu/spectra/display/BSU00002 with the MassBank record at https://massbank.eu/MassBank/RecordDisplay.jsp?id=BSU00002

I see stereochem in the structure depiction on MoNA but not in the MassBank record. I assume that InChIs are the basis of the stereo on MoNA but the SMILES has no stereochem on MassBank. The inconsistency is confusing. Is there a StereoSMILES in MassBank that is not displayed?

ChemConnector avatar Apr 26 '19 21:04 ChemConnector