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Table 1 Common features of shotgun lipidomics software

From: A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language

Featurea LipidQA LIMSA FAAT LipID LipidProfiler LipidMaps LipidSearch LipidXplorer
MS   Yes Yes Yes Yes Yes Yes Yes
MS + MS/MS Yes     Yes   Yes Yes
Database of lipid masses   Yes Yes Yes Yes Yes Yes  
Database of spectra Yes        
Database expandability   Yes Yes Yes Yes    Yes
Isotopic correction Yes Yes    Yes    Yes
Cross-platform Yes Yes Yes Yes   Yes Yes Yes
Spectra alignment    Yes      Yes
Grouping      Yes    Yes
Batch mode Yes     Yes    Yes
Offset correction of masses         Yes
  1. aList of features: MS, lipid identification solely based on matching precursor masses observed in MS spectra; MS + MS/MS, lipid identification based on MS and MS/MS spectra - required for identifying individual molecular species; Database of lipid masses, lipid identification relies upon a list of expected precursors masses; Database of spectra, lipid identification relies upon a library of reference spectra; Database expandability, users may expand reference databases at will; Isotopic correction, overlapping isotopic clusters are detected and the intensities of corresponding monoisotopic peaks are adjusted; Cross-platform, can process spectra acquired on mass spectrometers from different vendors; Spectra alignment, supports alignment of multiple spectra within the series of experiments; Grouping, supports grouping of spectra within biological and technical replicates acquired from the same sample; Batch mode, supports processing of multiple spectra submitted as a batch; Offset correction of masses, supports adjustment of precursors masses using reference peaks in the MS spectrum.