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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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Detalles Bibliográficos
Autores principales: Kind, Tobias, Okazaki, Yozo, Saito, Kazuki, Fiehn, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4238643/
https://www.ncbi.nlm.nih.gov/pubmed/25340521
http://dx.doi.org/10.1021/ac502511a