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Structure Annotation of All Mass Spectra in Untargeted Metabolomics.
Anal Chem. 2019 Feb 5;91(3):2155-2162. doi: 10.1021/acs.analchem.8b04698. Epub 2019 Jan 16.
Anal Chem. 2019.
PMID: 30608141
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy.
Blaženović I, Kind T, Torbašinović H, Obrenović S, Mehta SS, Tsugawa H, Wermuth T, Schauer N, Jahn M, Biedendieck R, Jahn D, Fiehn O.
Blaženović I, et al. Among authors: torbasinovic h.
J Cheminform. 2017 May 25;9(1):32. doi: 10.1186/s13321-017-0219-x.
J Cheminform. 2017.
PMID: 29086039
Free PMC article.
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