Mass spectrometry based targeted lipidomics data analysis software tools
Taken together, LC-ESI-MS is currently the gold-standard technique for targeted lipidomics of second messengers when in ‘discovery’ mode with the research goal of identifying all possible species in a given tissue/ sample, whereas shotgun methodologies enable highthroughput identification and quantification of changes in known profiles.
Allows metabolome analysis of large-scale multiple reaction monitoring (MRM) assays. MRMPROBS is a universal program for targeted metabolomics using multiple reaction monitoring (MRM)- or selected reaction monitoring (SRM), as well as SCAN and data independent tandem mass spectrometry (MS/MS) acquisition (DIA) data. The software was developed for metabolomics but can also be applied to lipidomics and proteomics studies.
Allows multiple reaction monitoring (MRM)-based differential analysis. MRM-DIFF supports chromatographic alignment and compound identification with estimation of isotopic peaks. The software semi-automatically performs lipid identification and quantification of large scale MRM datasets. It includes three features: (1) use of every peaks detected by each transition, (2) manual curation of the identification and quantification results through the GUI interface, and (3) support of all data processing steps and pooled quality control (QC) data sets.