RPLC-MS/MS based analysis of NIST SRM 1950 used for the validation of LipidRT

The NIST SRM 1950 was analyzed by RPLC-MSn-based lipidomics and subsequently analyzed by a workflow that combined LipidMS and LipidRT. LipidMS is available via CRAN (https://CRAN.R-project.org/package=LipidMS) and the source code is available at https://github.com/maialba3/LipidMS LipidRT is available via CRAN (https://CRAN.R-project.org/package=LipidRT) and the source code is available at https://github.com/maialba3/LipidRT The deposited data includes: Initial MS, DIA and DDA acquisitions in both ESI positive and ESI negative ionization modes Scripts, .RData objects and results tables for the LipidMS and LipidRT analyses DIA and DDA acquisitions for the experimental validation of proposed candidates. Summary table of annotations and models Summary table of confirmed candidates. Materials and methods.