Two different chemical names appear in the file and point to different molecular entities

[LiuLime]

Hello,

When I am cleaning the massbank data, I found that:

(1) Confusing name records

In MSBNK-ACES_SU institute provided datasets, there are suspicious data records. They provided two different chemical names in files which represented totally different moleculars.

According to exactmass and formula in the example, I personally judged that the first name record is correct, the second one, for some reason, maybe uploaded by false conduction.

Here are a few suspicious records I found (more may exist)：

MSBNK-ACES_SU-AS000181
MSBNK-ACES_SU-AS000133
MSBNK-ACES_SU-AS000121
MSBNK-ACES_SU-AS000110
MSBNK-ACES_SU-AS000089
MSBNK-ACES_SU-AS000004
MSBNK-ACES_SU-AS000160
MSBNK-ACES_SU-AS000201

(2) In MASSBANK_Athens_Univ record, CAS number may indicate different form to the molecular author may want to upload.

The blue arrow indicate that uploaded CAS number searched result, and red arrow indicate the correct CAS number I think.

Cause CAS number is very useful for characterizing molecules precisely, especially for distinguishing isomers (better than inchi or inchikey which sometimes cannot distinguish isomers with different conformation), it would be helpful if they are correct :)

Thank you very much!