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Add DTXSIDs into RMassBank identifiers #215

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schymane opened this issue May 7, 2019 · 0 comments

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commented May 7, 2019

The EPA have preliminary webservices now available to retrieve DTXSIDs by InChIKey, we should add this into RMassBank to retrieve these for new records (and note that this may change again in the future)

https://github.com/MassBank/RMassBank/blob/master/R/webAccess.R

https://actorws.epa.gov/actorws/chemIdentifier/v01/resolve?identifier=IKHGUXGNUITLKF-UHFFFAOYSA-N
https://actorws.epa.gov/actorws/chemIdentifier/v01/resolve.json?identifier=IKHGUXGNUITLKF-UHFFFAOYSA-N
https://actorws.epa.gov/actorws/chemIdentifier/v01/resolve.xml?identifier=IKHGUXGNUITLKF-UHFFFAOYSA-N

@adelenelai would you be interested in looking into this?

We are looking at doing this initially database side to get DTXSIDs into records already created:
MassBank/MassBank-data#66
and
MassBank/MassBank-web#80

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