FAMetA

FAMetA version 0.1.4:

FAMetA (Fatty Acid Metabolic Analysis) is an R-package aimed to the estimation of FA import (I), de novo synthesis (S), fractional contribution of the 13C-tracers (D0, D1, D2), elongation (E) and desaturation (Des) based on mass isotopologue data.

• Example data files can be downloaded from https://drive.google.com/drive/folders/1-mhqBd6W8VJkIYwVuIOr2Gn4Z9vBUN9-?usp=sharing
• Data preprocessing (peak-picking, grouping and alignment) is performed using LipidMS R-package https://CRAN.R-project.org/package=LipidMS.
• Data correction for natural abundance of 13C is performed using accucor R-package https://CRAN.R-project.org/package=accucor.

References:

• LipidMS: An R Package for Lipid Annotation in Untargeted Liquid Chromatography-Data Independent Acquisition-Mass Spectrometry Lipidomics. Anal Chem, 2019. doi:10.1021/acs.analchem.8b03409.
• LipidMS 3.0: an R-package and a web-based tool for LC-MS/MS data processing and lipid annotation. bioRxiv, 2022. doi.org/10.1101/2022.02.25.476005
• Su X, Lu W and Rabinowitz J (2017). Metabolite Spectral Accuracy on Orbitraps. Anal Chem, 2017. doi.org/10.1021/acs.analchem.7b00396.