ReTimeML: a retention time predictor that supports the LC–MS/MS analysis of sphingolipids

Abstract The analysis of ceramide (Cer) and sphingomyelin (SM) lipid species using liquid chromatography–tandem mass spectrometry (LC–MS/MS) continues to present challenges as their precursor mass and fragmentation can correspond to multiple molecular arrangements. To address this constraint, we dev...

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Detalhes bibliográficos

Principais autores:	Michael Allwright, Boris Guennewig, Anna E. Hoffmann, Cathrin Rohleder, Beverly Jieu, Long H. Chung, Yingxin C. Jiang, Bruno F. Lemos Wimmer, Yanfei Qi, Anthony S. Don, F. Markus Leweke, Timothy A. Couttas
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Nature Portfolio 2024-02-01
coleção:	Scientific Reports
Assuntos:	Ceramide Sphingomyelin LC–MS/MS Retention time Regression modelling Lasso
Acesso em linha:	https://doi.org/10.1038/s41598-024-53860-0
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