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There is a newer version of the record available.

Published September 2, 2021 | Version v2
Dataset Open

MassBank <=> PubChem Deposition/Annotation Repository

Creators

  • 1. LCSB, Uni Luxembourg
  • 2. NIH/NLM/NCBI

Description

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

MASSBANK_DATA_SUMMARY_MSMS_20210902.csv

Files (59.8 MB)

Additional details

Related works

Is supplement to
https://massbank.eu/MassBank/ (URL)
https://pubchem.ncbi.nlm.nih.gov/ (URL)