Skip to main content

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.