MS-DIAL: Data Independent MS/MS Deconvolution for Comprehensive Metabolome Analysis

Data-independent acquisition (DIA) in liquid chromatography tandem mass spectrometry (LC-MS/MS) provides more comprehensive untargeted acquisition of molecular data. Here we provide an open-source software pipeline, MS-DIAL, to demonstrate how DIA improves simultaneous identification and quantificat...

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Detalles Bibliográficos
Autores principales: Tsugawa, Hiroshi, Cajka, Tomas, Kind, Tobias, Ma, Yan, Higgins, Brendan, Ikeda, Kazutaka, Kanazawa, Mitsuhiro, VanderGheynst, Jean, Fiehn, Oliver, Arita, Masanori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4449330/
https://www.ncbi.nlm.nih.gov/pubmed/25938372
http://dx.doi.org/10.1038/nmeth.3393
Descripción
Sumario:Data-independent acquisition (DIA) in liquid chromatography tandem mass spectrometry (LC-MS/MS) provides more comprehensive untargeted acquisition of molecular data. Here we provide an open-source software pipeline, MS-DIAL, to demonstrate how DIA improves simultaneous identification and quantification of small molecules by mass spectral deconvolution. For reversed phase LC-MS/MS, our program with an enriched LipidBlast library identified total 1,023 lipid compounds from nine algal strains to highlight their chemotaxonomic relationships.

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