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Table 4 Results of tandem MS/MS analyses of features associated with case-control status

From: Untargeted lipidomic features associated with colorectal cancer in a prospective cohort

Feature ID Observed m/z Ret. time (s) Prominent MS2 fragments with possible fragment IDs Putative ID Species Molecular formula Δ ppm
235 391.2832 596.4 347.2961(loss of CO2), 197.0725 ([C10H13O4]-) possible fatty acid [M-H]- C24H40O4 4.22
4250 453.3592 605.5 59.0131, 409.3687 (loss of CO2), 391.3568 (loss of CO2 and H2O), 279.2336 ([C18H31O2]-), 435.3462 (loss of H2O) possible ULCFA [M-H]- C27H50O5 −2.76
4294 467.3744 605.6 449.3639 (loss of H2O), 263.2368 ([C18H31O]-), 423.3842 (loss of CO2), 162.8392, 405.3724 (loss of CO2 and H2O) ULCFA 468 [M-H]- C28H52O5 −1.56
5080 519.1965 595.9 No MS2 spectra unknown    
3207 531.1558 563.9 481.3110, 256.2357 unknown    
6054 551.1781 612.3 478.2903, 515.1326 (loss of 2 H2O;), 253.2165 ([C16H29O2]-) possible ceramide    
839 577.2698 596.8 No MS2 spectra unknown    
5749 882.6393 718.2 124.0075, 822.6453 (loss of acetate) unknown [M + HAc-H]-   
14,963 907.4806 617.6 No MS2 spectra unknown