MassBank <=> PubChem Deposition/Annotation Repository (Q6705732)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
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| default for all languages | No label defined |
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| English | MassBank <=> PubChem Deposition/Annotation Repository |
Dataset published at Zenodo repository. |
Statements
This is a repository to exchange MassBank record and substance information to create deposition and annotation files in PubChem. Supporting code in: https://gitlab.com/uniluxembourg/lcsb/eci/pubchem/-/tree/master/massbank_eu Credits: LCSB-ECI: Anjana Elapavalore, Todor Kondic, Emma Schymanski PubChem: Jeff Zhang, Paul Thiessen, Ben Shoemaker, Evan Bolton MassBank Consortium: Rene Meier, Steffen Neumann, Tobias Schulze Note: 20230419 files removes deprecated records from the 2022.12 release and still has InChIKeys added manually for ACES records (listed as NA) for annotation; all are present in the deposition. The unique substance file did not change, but close to 200 deprecated records were removed from the annotation set. 20230908, 20231129, 20240610, 20241126: ACES InChIKeys added manually.
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26 November 2024
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MassBank-data release-2024.11
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Lcsb-Eci
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Massbank Consortium
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Pubchem Team
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