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Dataset Open Access

MassBank <=> PubChem Deposition/Annotation Repository

Schymanski, Emma; LCSB-ECI; MassBank Consortium; PubChem Team

This is a repository to exchange MassBank record and substance information to create deposition and annotation files in PubChem.

Supporting code in: https://git-r3lab.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

Updated 2 September to include Top 5 peaks ...

Files (59.8 MB)
Name Size
MASSBANK_DATA_SUMMARY_MSMS_20210902.csv
md5:7574146890e79377774cde505c8c942d
52.5 MB Download
MASSBANK_DATA_SUMMARY_MSMS_20210902_Substances.csv
md5:0f18b27e6b7702e69a28b0caf50ea7a9
4.0 MB Download
MASSBANK_DATA_SUMMARY_MSMS_20210902_Unique_Substances.csv
md5:0a5fb266556d69db2623935b4d216655
3.4 MB Download
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