Published July 27, 2021
| Version v1
Dataset
Open
MassBank <=> PubChem Deposition/Annotation Repository
Authors/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
Note: the 2019.12 release files are provided for the record; active deposition is 20 May 2021.
Files
MASSBANK_DATA_SUMMARY_MSMS_20210520.csv
Files
(104.3 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:a1443335bdcc7448759d4eca245b874f
|
49.8 MB | Preview Download |
|
md5:524806f2e75577ca6251ad77ca66b2e5
|
4.0 MB | Preview Download |
|
md5:eaa3762920bde4c9ee66feb6d1e4d6cd
|
3.4 MB | Preview Download |
|
md5:31bcd2dc888eeaf8d48a287eeb5fa26f
|
44.3 MB | Preview Download |
|
md5:b80525b77a3eb627b2e3af6a9e3ab275
|
2.9 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://massbank.eu/MassBank/ (URL)
- https://pubchem.ncbi.nlm.nih.gov/ (URL)