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Proposal for a common nomenclature for fragment ions in mass spectra of lipids

Fig 8

Annotation of fragment ions from stable isotope-labeled lipids.

A) Positive FTMS2 spectrum of protonated PC 34:2(+[2]H13). The fragment ions identify the molecular lipid species as PC(+[2]H13) 16:1–18:1. B) Positive FTMS2 spectrum of protonated PC 32:0(+[2]H6). The fragment ions identify the molecular lipid species as PC 16:0(+[2]H3)-16:0(+[2]H3). C) Negative FTMS2 spectrum of deprotonated PI 34:1(+[2]H6). The fragment ions identify the molecular lipid species PI(+[2]H6) 16:0–18:1. D) Negative FTMS2 spectrum of the formate adduct of Cer 44:0;4(+[13]C2[15]N). The annotated fragment ions identify the molecular species as Cer 18:0;3(+[13]C2[15]N)/26:0;1. Note that non-annotated fragment ions derive from co-isolated lipids. Fragmentation diagrams for the lipid molecules and indicated fragment ion m/z values are shown in S6 Fig.

Fig 8

doi: https://doi.org/10.1371/journal.pone.0188394.g008