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