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  Datasets & 4 Repositories

chemotion-repository

Chemotion - Repository

The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and...

massbank

MassBank

MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.