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MassBank / MassBank2NIST

A converter between MassBank and NIST (and Bruker .library) formats and back
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InChI, InChI Key and PubChem ID would be useful. #7

Closed sneumann closed 9 years ago

schymane commented 9 years ago

These and more provided in the newer files sent by Aiko (see gdocs). InChI Key still not quite right.