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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical
Society
2014
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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 |