LipidBlast - in-silico tandem mass spectrometry database for lipid identification

Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer generated in-silico tandem mass spectral library of 212,516 MS/MS spectra covering 119,200 compounds from 26 lipid compound classes, including phosph...

Descripción completa

Detalles Bibliográficos
Autores principales: Kind, Tobias, Liu, Kwang-Hyeon, Yup Lee, Do, DeFelice, Brian, Meissen, John K., Fiehn, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3731409/
https://www.ncbi.nlm.nih.gov/pubmed/23817071
http://dx.doi.org/10.1038/nmeth.2551
Descripción
Sumario:Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer generated in-silico tandem mass spectral library of 212,516 MS/MS spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. Platform independence is shown by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.

Ejemplares similares