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MassBank.md

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MassBank is an Open spectral library used in e.g. Metabolomics

The software plattform is developed in https://github.com/MassBank/MassBank-web

The record format is spcified in https://github.com/MassBank/MassBank-web/blob/master/Documentation/MassBankRecordFormat.md

Data is version-controlled on https://github.com/MassBank/MassBank-data/

An example record would be https://github.com/MassBank/MassBank-data/blob/master/Eawag/EA000401.txt

There are some converters to/from MassBank in https://github.com/MassBank/MassBank2NIST

E.g. the "Bruker Sumner MetaboBASE Plant Library" was converted from https://www.bruker.com/service/support-upgrades/software-downloads/mass-spectrometry/metabobase-plant-libraries.html (requires login) to these records: https://github.com/MassBank/MassBank-data/tree/master/BS

The Bruker *.library format is sortof derived from MSP, the extended format is defined in ASCII MS Spectrum File format.pdf (no link available) by Bruker.