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LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries

[Image: see text] Tandem mass spectral libraries (MS/MS) are usually built by acquiring experimentally measured mass spectra from chemical reference compounds. We here show the versatility of in-silico or computer generated tandem mass spectra that are directly obtained from compound structures. We...

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Detalhes bibliográficos
Publicado no:Anal Chem
Main Authors: Kind, Tobias, Okazaki, Yozo, Saito, Kazuki, Fiehn, Oliver
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2014
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4238643/
https://ncbi.nlm.nih.gov/pubmed/25340521
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ac502511a
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