Banking Software Update: Introducing MassBank 3.0
The MassBank community is thrilled to announce the launch of the latest version of their platform, a significant step forward in the realm of mass spectrometry data. The updated MassBank delivers a cleaner interface, faster performance, and expanded tools for exploring and sharing high-quality mass spectral data.
One of the key improvements in this version is the enhanced integration and harmonization of experimental MS/MS spectra across multiple databases, such as HMDB, METLIN, MassBankEU, MoNA, NIST, and Riken. This consolidated dataset, with merging of spectra for unique compounds, enhances annotation reliability. The focus is on the widely encountered [M+H]+ adduct in positive mode, improving data quality by filtering out low-resolution and inconsistent spectra, and unifying compound identifiers via InChIKeys and canonical SMILES to create a robust and consistent spectral library.
Additional improvements include the use of deep learning tools for predicting MS/MS fragmentation, refined spectral similarity and cleaning procedures, and emphasis on consensus annotation and improved chemical class assignments. These advancements collectively enhance MassBank’s utility for mass spectrometry-based metabolomics and small molecule identification workflows.
The core of this release is a new backend architecture designed for scalability, interoperability, and easier integration with other tools. The new release aims to modernize the infrastructure, improve data accessibility, and support the growing needs of the mass spectrometry community.
Users are invited to explore the new MassBank platform, report any issues they encounter, and suggest features for the future. The new MassBank system offers users the ability to find, explore, and compare spectra more effectively than ever before. The updated platform is now live at both massbank.eu and massbank.jp/.
Together, the MassBank community aims to expand the scope of open mass spectrometry data, and users are collectively looking forward to increasing the impact of this valuable resource.
This latest version of the MassBank platform, a significant advancement in data-and-cloud-computing technology, incorporates deep learning tools for predicting MS/MS fragmentation, promoting technological innovation in the field of mass spectrometry data. Furthermore, the consolidated dataset facilitated by this technology enhances annotation reliability, benefiting the mass spectrometry community by providing a robust and consistent spectral library.
