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. 2014 Oct 10;4:6581. doi: 10.1038/srep06581

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(a) The theoretical m/z of the singly charged ammoniated ion of C52:5 is 870.8. The generation of product ions of m/z 597.6, 573.6, and 575.6 indicate the neutral losses of 16:0, 18:2, and 18:3, respectively. The potential fatty acyl combination at m/z 870.8 is 16:0-18:2-18:3 with 52 carbons and 5 double bonds on fatty acyl chains. (b) The theoretical m/z of the singly charged ammoniated ion of C52:4 is 872.8. The generation of product ions of m/z 599.6, 573.6, 575.6, and 577.6 indicate the neutral losses of 16:0, 18:1, 18:2, and 18:3, respectively. The potential fatty acyl combinations at m/z 872.8 are 16:0-18:2-18:2 and 16:0-18:1-18:3, which have 52 carbons and 4 double bonds on fatty acyl chains. (c) The theoretical m/z of the singly charged ammoniated ion of C54:6 is 896.8. The generation of product ions of m/z 597.6, 599.6, and 601.6 indicate the neutral losses of 18:1, 18:2, and 18:3, respectively. The potential fatty acyl combinations at m/z 896.8 are 18:1-18:2-18:3 and 18:2-18:2-18:2, which have 54 carbons and 6 double bonds on fatty acyl chains.