News

Dear friends of MassBank,

Update 5 March 2021: The new MassBank data release is available and deployed on MassBank Europe. We added 159 new mass spectra containing tentatative mass spectra of pesticide metabolites. They include Markush structures for the first time, for example a mass spectra of the tentatively identified atrazine-desamine. The release version is 2021.03 with the DOI: 10.5281/zenodo.4563726. The whole MassBank content is available in NIST msp format for integration in mass spectrometry software.

Update 8 February 2021: The new MassBank data release is available and deployed on MassBank Europe. The release version is 2021.02 with the DOI: 10.5281/zenodo.4506480. The whole MassBank content is available in NIST msp format for integration in mass spectrometry software. The MassBank_NIST.msp file contains all records to be used in vendors' software library search. We also provide a msp file in RIKEN format for integration in MS DIAL. Enjoy and report your experiences, please!

Update 20 July 2020: The MassBank developers and MassBank contributors are proud to be part of the GitHub Archive Programm. MassBank is now human code heritage as a long term and active open source community!

Update 16 March 2020: We are proud to announce the publication of new MS library related paper A European proposal for quality control and quality assurance of tandem mass spectral libraries. All related mass spectra are available HBM4EU library.

Update 09 March 2020: MassBank Europe is now on PubChem. See also on Twitter.

Links

MassBank community on GitHub

• MassBank community on GitHub: Checkout for more information on the community and how to contribute to Massbank.
• MassBank Open Access records on GitHub: Contribute your mass spectra and download MassBank spectra for your purposes and re-use.
• MassBank Issue Tracker on GitHub: Leave your feedback and issues on MassBank to improve MassBank (GitHub account required).
• MassBank Data Releases are available on GitHub
• MassBank community on zenodo: Checkout for data releases, reports and presentations regarding MassBank.

Metabolomics Spectrum Identifier Resolver

The Metabolomics Spectrum Identifier Resolver is a tool for the high resolution imaging of mass spectra from GNPS/MassIVE, MetaboLights, MS2LDA and MassBank for publications and other purposes. For example MassBank Record: AC000372 resolves in metalolomics-usi-visulation of AC000372.

MassBank RESTful API

A basic RESTful API with simple search functions is available:

• Search by SPLASH
• Search by InChIKey
• Search by a single block of InChIKey

An improved API is in development. Your use cases and ideas for enhancements are appreciated.