Collection of fragmentation mass spectra (all from GNPS, accessed on 2020-05-11)

Florian Huber (Creator)
Lars Ridder (Creator)
Stefan Verhoeven (Creator)
Jurriaan H. Spaaks (Creator)
Faruk Diblen (Creator)
Simon Rogers (Creator)
Justin van der Hooft (Creator)

Bioinformatics

Dataset

Description

Collection of mass spectral data, downloaded from GNPS on 2020-05-11 via https://gnps-external.ucsd.edu/gnpslibrary/ALL_GNPS.json
Contains 154,820 spectra.

Date made available	11 Aug 2020

DOI
10.5281/zenodo.3979010

1 Article

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
Huber, F., Ridder, L., Verhoeven, S., Spaaks, J. H., Diblen, F., Rogers, S. & Van Der Hooft, J. J. J., 16 Feb 2021, In: PLoS Computational Biology. 17, 2, e1008724.
Research output: Contribution to journal › Article › Academic › peer-review

Open Access
85 Citations (Scopus)

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