News

Dear friends of MassBank,

Update 15 December 2022: We just deployed MassBank-data release 2022.12 with the DOI: 10.5281/zenodo.7436394. We added 271 new mass spectracon contributed by our new contributor Department of Environmental Science at Stockholm University and 10 new records of MSSJ.

Update 30 August 2022: Welcome to our latest MassBank system version 2.2. We introduced the new MassBank Accession schema. For reference, visit the section ACCESSION in the MassBank Record Format. In the case, you observe any problem with MassBank or third-party services due to the new Accession, do not hesitate to contact us.

Update 14 December 2021: We are excited to announce the new MassBank data release. We added 3251 new mass spectra of 304 compounds contributed kindly by Eawag, University of Antwerp, University of Athens, Mass Spectrometry Society of Japan, and INRAE France. The release version is 2021.12 with the DOI: 10.5281/zenodo.5775684.

Update 14 December 2021: We are excited to announce the new MassBank data release. We added 3251 new mass spectra of 304 compounds contributed kindly by Eawag, University of Antwerp, University of Athens, Mass Spectrometry Society of Japan, and INRAE France. The release version is 2021.12 with the DOI: 10.5281/zenodo.5775684. We also deployed the new Massbank system version 2.1.11 fixing for example CVE-2021-44228.

Update 3 September 2021: MassBank Europe spectra annotations in PubChem are online now. What a great enhancement! MassBank Europe spectra go online via our new MassBank PubChem deposition / annotation repository pipeline with code developed by LCSB-ECI. Find an example for arsanilic acid at PubChem. See also the related tweet.

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

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:

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