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MassBank / MassBank-data

Official repository of open data MassBank records
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Issue with LU089006 [reposting from MassBank-web] #148

Closed schymane closed 3 years ago

schymane commented 4 years ago

From @dnikol1 submitted as https://github.com/MassBank/MassBank-web/issues/268

Can you please check the identity of N-(2,4-Dimethylphenyl)formamide) whose spectrum was deposited under entry LU089006? It is a known issue that compound vendors often sell mislabeled material. The deposited spectrum cannot be rationally linked to the structure proposed..

schymane commented 4 years ago

[for the record, from MassBank/MassBank-web/issues/268]

Dear @dnikol1 Thank you for the feedback - these records were compiled from mixtures of standards in the realm of the ENTACT study DOI: 10.1007/s00216-018-1435-6 and indeed it looks like some entries have snuck through that should not have - we are quality controlling all records again and will update our submissions as soon as possible. @anjuraj15 @MaliRemorker

If you see any more records of concern please let us know.

Please note this is a reposting of https://github.com/MassBank/MassBank-web/issues/268 which is now closed - this issue https://github.com/MassBank/MassBank-data/issues/148 will remain open until resolved.

schymane commented 3 years ago

Thank you again for the feedback, after extensive quality control we have just committed an update for our LU records https://github.com/MassBank/MassBank-data/pull/152, which will be merged once checks have passed. This removes several problematic records, including these ones. Hopefully we will be able to re-contribute some of the removed records following further quality control with @he-ob, who has the single standards.