MassBank <=> PubChem Deposition/Annotation Repository
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This is a repository to exchange MassBank record and substance information to create deposition and annotation files in PubChem. Supporting code in: https://gitlab.lcsb.uni.lu/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: 20221219 file contains InChIKeys added manually for ACES records (listed as NA) for annotation; all are present in the deposition.
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Zenodo创建时间：
2022-12-19
