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Published January 25, 2022 | Version MassBank-data release-2021.12
Dataset Open

MassBank <=> PubChem Deposition/Annotation Repository

  • 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.csv

Files (62.3 MB)

Name Size Download all
md5:fef375c88feca87e219e06a9e201b755
54.8 MB Preview Download
md5:35aa157aa572a5d62d76990440bb27ea
4.0 MB Preview Download
md5:3405e6cba645f033ad125ef8b73a8c6d
3.4 MB Preview Download

Additional details