The IT MS2 product-ion spectrum of the [M – H]− ion of 16:0-(19:0/16:0)-PIM3 at m/z 1575.9 (a), and its MS3 product-ion spectra of the ions at m/z 1277 (1575 → 1277) (b), and at m/z 803 (1575 → 965) (c); panel (d) illustrates the MS2 product-ion spectrum of the ion at m/z 1573.9, which is mainly a 16:0-19:1/16:0-PIM3 isomer. The MS3 product-ion spectra of the ions at m/z 1317 (1573 → 1317) (e), and at m/z 1291 (1573 → 1291) (f), revealed that isomers with 17:0-18:1/16:0-PIM3, 16:1-19:0/16:0-PIM3, 16:0-18:1/17:0-PIM3, and 17:0-18:1/16:0-PIM3 structures are also present. The assigned structures are further confirmed by the MS3-spectra of the ions at m/z 1303 (1573 → 1303), and at m/z 1275 (1573 → 1275) (shown in Supplementary Material).