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

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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Bibliographic Details
Main Authors: 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
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:Scientific Reports
Subjects:
Ceramide
Sphingomyelin
LC–MS/MS
Retention time
Regression modelling
Lasso
Online Access:https://doi.org/10.1038/s41598-024-53860-0

Internet

https://doi.org/10.1038/s41598-024-53860-0

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