Section 3 (analysis of targeted lipidomics datasets – SRM, MRM, PRM)

capute_3 LipidCreator METLIN-MRM/XCMS-MRM
Analytical strategies DIA, PRM, MRM, SRM MRM, SRM
Covered lipid subclasses 5/8 8/8
Number of transitions generated on-fly 32 347
Number of experimentally optimized transitions 1 487 1 000
Number of computationally optimized transitions 1 487 Over 15 000
Transitions for different collision energies yes yes
Peak detection/alignment via Skyline XCMS-MRM module
Spectra annotation yes yes
Quantification Relative, absolute Relative, absolute

* DIA – data-independent acquisition; PRM – parallel reaction monitoring; MRM – multiple reaction monitoring; SRM – single reaction monitoring