Hi Nikiforos,
thank you for the pull request. I would like to help you getting these new records into MassBank. I will check the validation results and come back with some suggestions.

Thanks! Please, go ahead and let me know if there is any validation problem.

I had a look into your submission and I found a number of issues which I can not solve without your help. I could probably solve a lot of this on my own, but I would feel more comfortable if you at least know it and approve these things. Even better would be if you try to reprocess them all with a recent RMassBank e.g. from Bioconductor 3.8, because this would solve a number of issues automatically.

Issue 1:
As far as I understand a lot of the new records were created with a normal phase chromatography and you labeled them LC-HILIC but in MassBank we only have LC, GC and and CE-MS. These records would need a relabeling to LC-ESI-QTOF.
Issue 2:
The ACCESSION in the files do not match the filenames. I could set the ACCESSION to the filename. Setting the filename to the ACCESSION is not possible, because the filenames are already occupied .

There are more minor issues, but before we discuss this I would like to know if you prefer to solve Issue 1 & 2 on your own with a new RMassBank. If you think you can not manage this I need advice for Issue 2.

Hi! Good news is that issues are clear. I will correct both issues myself.

I have a question for you; I understood that AC$INSTRUMENT_TYPE should be LC-ESI-QTOF. However, is it possible that RECORD_TITLE is "Compound name; LC-HILIC-ESI-QTOF; ..."?

I renamed the records, so that they do not conflict with RP records. This is why you have ACCESSION conflict.

Hi Emma. Let's take an example so that it is clear to me.
RECORD_TITLE: 1H-Benzotriazole; LC-HILIC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
is suggested to be changed to
RECORD_TITLE: 1H-Benzotriazole; LC-ESI-QTOF; HILIC; MS2; CE: 20 eV; R=35000; [M+H]+

Do you agree with the example above?

Any chance to put this a little bit more to the end of the line? Would make things more easy in MassBank code. The first three fields are validated atm. Could you agree to
RECORD_TITLE: 1H-Benzotriazole; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
?

It is feasible to follow this set up. Therefore, we cancel the pull request and I will fork again, upload the new records and try to pull again. Do you agree @meier-rene?

Would be great.

Waiting for new try...