AnCaste/LIPIC: LIPIC: Lipid Isotopic Pattern Interference Correction

The LIPIC package is focused on the correction of Type I and Type II isotopic effects in lipid class-related High-Resolution Mass Spectra. Briefly, the Type II isotopic effect refers to the alteration of the M+0 peak intensity induced by the overlap with M+2 or even M+4 isotopologue peaks of lipids having one or two additional double bonds, respectively. Type II isotopic effect is largely common in mass spectra carried out by shotgun or by HILIC-MS. Moreover, Type I isotopic effect (i.e. the reduction of M+0 intensity due to the increase of the amount of C atoms in the molecule) needs to be considered for quantitative purposes. Since the extent of both Type I and Type II isotope effects increases with the overall C atom number, the corresponding corrections are strongly recommended in mass spectra of large lipid molecules (e.g. cardiolipins, N-acylphosphatidylethanolamines, gangliosides). Both Type I and Type II corrections are performed by the LIPIC package main functions, namely Lipic and Lipic_It. For details on the LIPIC theoretical workflow see A.Castellaneta et al.: "LIPIC: an automated workflow to account for isotopologues-related interferences in electrospray ionization high resolution mass spectra of phospholipids", Journal of the American Society for Mass Spectrometry, 2021 (DOI: https://doi.org/10.1021/jasms.1c00008).

install.packages("remotes")
remotes::install_github("AnCaste/LIPIC")