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Sign upAdd DTXSIDs into RMassBank identifiers #215
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adelenelai
commented
May 8, 2019
working on it |
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meier-rene
commented
May 14, 2019
We have added this in MassBank. If you like you can skip this because its easy to post process records in MassBank. |
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@meier-rene I don't agree to process everything with MassBank only. MassBank records should be applicable on a private repository with parsing tools without MassBank in game. DTXSID is an important identifier and thus it should be processed with RMassBank. |
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adelenelai
commented
May 16, 2019
Hi, EPA webservices seem to be down now, the links in @schymane 's original post don't work @ChemConnector |
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ChemConnector
commented
May 16, 2019
The services are down because they ran an update overnight and one of the
certificates expired and broke things. They are working on it in production
(NOT our team) and hopefully things will come up soon. Apologies for the
inconvenience.
Tony Williams
Phone: +1 (919) 201-1516
Email: tony27587@gmail.com
Skype: tony27587
My Blog: www.chemconnector.com
Twitter: http://twitter.com/ChemConnector
…On Thu, May 16, 2019 at 8:27 AM adelenelai ***@***.***> wrote:
Hi, EPA webservices seem to be down now, the links in @schymane
<https://github.com/schymane> 's original post don't work @ChemConnector
<https://github.com/ChemConnector>
Are there new URLs which work?
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The services should be up again @adelenelai can you check if they work for you now? |
schymane commentedMay 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