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New record tag proposals #183

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schymane opened this issue Jul 1, 2019 · 1 comment

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commented Jul 1, 2019

Big discussions on integrating raw data over the weekend:
MassBank/MassBank-data#79
https://twitter.com/martiwag/status/1145011749554393089

To do this properly we'd (@tsufz and @schymane ) propose a few new tags:

MS$DATA_PROCESSING: SCAN_NUMBER 1234
see MassBank/RMassBank#218

MS$RAW: DOI ...
and then to allow links to repositories that may or may not have DOIs, so that we also have the identifier from the repository:
MS$RAW: GNPS ....
MS$RAW: METABOLIGHTS ...
MS$RAW: METABOLOMICSWB ...
MS$RAW: ZENODO ...

and these should be done similarly to the CH$LINK: field, i.e. alphabetical order (although in reality we'll rarely have multiple entries)

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commented Jul 1, 2019

We'd possibly need a MS$RAW: GNPS COMMENT field to capture this:
mzspec:MSV000082791:(-)-epigallocatechin:scan:1000
MassBank/MassBank-data#79 (comment)

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