metabolite_name bovine_CL_LD_replicate1 bovine_CL_LD_replicate2 bovine_CL_LD_replicate3 LPI(14:1) 2.103278237 0 0 LPI(14:0) 0.138006547 0 0 LPI(O-18:0) 0.492841999 0 0 LPI(18:1) 0 0.084024067 0.728570361 LPI(18:0) 4.549599498 0 1.164452195 LPI(20:4) 1.22817814 0 0.357535082 PI(30:1) 0.369833681 0 0.858249323 PI(32:2) 0 0.011853411 0 PI(32:1) 0 0 0 PI(34:5) 0 0.091650943 0 PI(34:4) 0 0 0 PI(34:2) 1.318730821 0.581625544 3.274412769 PI(34:1) 5.375213965 0.399600871 10.56553481 PI(34:0) 0.026927095 0.446148766 0.402882731 PI(P-36:0)/PI(O-36:1) 0 0 0 PI(36:5) 0 0 0 PI(36:4) 4.641139077 2.810002177 9.742183002 PI(36:3) 4.502299238 2.039406386 5.625851219 PI(36:2) 9.833746999 6.073976778 17.0759477 PI(36:1) 0 0 1.366491931 PI(36:0) 0.116473646 0 0.023081458 PI(P-38:1)/PI(O-38:2) 0 0 0 PI(38:6) 1.605948909 0.957849782 3.248987926 PI(38:5) 26.4969523 14.27532656 40.53489221 PI(38:4) 97.7106087 58.68040348 130.5637175 PI(38:3) 11.52807024 11.03414949 22.11165379 PI(38:2) 0.737576349 0.515908563 2.256851337 PI(38:1) 0 0 0 PI(38:0) 0 0.017959361 0 PI(40:7) 0.483732335 0.125798984 1.193164743 PI(40:6) 11.59648189 4.002056604 17.60110932 PI(40:5) 39.39430247 26.35229028 54.07495912 PI(40:4) 4.438968062 6.867571843 13.04431111 PI(40:3) 0.018771162 0.103052975 0.193880728 metabolite_name Formula Mass MW structure Mass Info (precursor ion, product ion) Retention times Human Metabolome Database InChIKey LipidMAPS quantified m/z LPI(14:1) C23H43O12P 542.25 541.2 / 241.0 1.05 541.2 LPI(14:0) C23H45O12P 544.26 543.2 / 241.0 1.05 543.2 LPI(O-18:0) C27H55O11P 586.35 585.3 / 241.0 1.05 585.3 LPI(18:1) C27H51O12P 598.31 597.3 / 241.0 0.95 UGDOFRYHDCDVHD-YLMUREAQSA-N 597.3 LPI(18:0) C27H53O12P 600.33 599.3 / 241.0 1.16 MXAFDFDAIFZFET-DRPMWXDOSA-N 599.3 LPI(20:4) C29H49O12P 620.3 619.3 / 241.0 0.84 LXUGKKVCSTYZFK-YPTWYXPQSA-N 619.3 PI(30:1) C39H73O13P 780.48 779.5 / 241.0 3.4 779.5 PI(32:2) C41H75O13P 806.49 805.5 / 241.0 2.73 HMDB0009780 XVAYDAQDXIWIQD-NUHINHKHSA-N LMGP06010938 805.5 PI(32:1) C41H77O13P 808.51 807.5 / 241.0 2.94 HMDB0009797 RNXWIPLNUTUDRT-YHSIYXGOSA-N LMGP06010175 807.5 PI(34:5) C43H73O13P 828.48 827.5 / 241.0 3.36 827.5 PI(34:4) C43H75O13P 830.49 829.5 / 241.0 3.47 829.5 PI(34:2) C43H79O13P 834.53 833.5 / 241.0 3.05 HMDB0062653 BSNJSZUDOMPYIR-FJESRZELSA-N 833.5 PI(34:1) C43H81O13P 836.54 835.5 / 241.0 3.15 PDLAMJKMOKWLAJ-ZNHRTHKOSA-N 835.5 PI(34:0) C43H83O13P 838.56 837.6 / 241.0 3.15 HMDB0062582 NEXFZIYXCPIHEF-XVQBWIJQSA-N 837.6 PI(P-36:0)/PI(O-36:1) C45H87O12P 850.59 PI(36:5) C45H77O13P 856.51 855.6 / 241.0 3.05 855.6 PI(36:4) C45H79O13P 858.53 857.5 / 241.0 2.94 KIQYUSYSJTUGFZ-UVYWGIEFSA-N 857.5 PI(36:3) C45H81O13P 860.54 859.6 / 241.0 3.05 HMDB0009848 FGYIQWPIAQUVIU-AWZRONAASA-N LMGP06010318 859.6 PI(36:2) C45H83O13P 862.56 861.6 / 241.0 3.26 KZVRAFHIKMDULK-HJCWERLXSA-N 861.6 PI(36:1) C45H85O13P 864.57 863.6 / 241.0 3.36 863.6 PI(36:0) C45H87O13P 866.59 865.3 / 241.0 3.47 HMDB0009808 FQZQXPXKJFOAGE-SNXKPFKBSA-N LMGP06010008 865.3 PI(P-38:1)/PI(O-38:2) C47H89O12P 876.61 PI(38:6) C47H79O13P 882.53 881.5 / 241.0 2.94 881.5 PI(38:5) C47H81O13P 884.54 883.6 / 241.0 3.05 HMDB0009908 QRJDLXBDGZQKAL-LVRSVQNSSA-N 883.6 PI(38:4) C47H83O13P 886.56 885.6 / 241.0 3.12 RMRCTNVEDOWEQF-MQYWSVFMSA-N 885.6 PI(38:3) C47H85O13P 888.57 887.6 / 241.0 3.36 MHKWHDPIKFAACP-DAXMFMIASA-N 887.6 PI(38:2) C47H87O13P 890.59 889.6 / 241.0 3.21 WCMFLJINGZIEAR-OKJSOPGJSA-N 889.6 PI(38:1) C47H89O13P 892.6 891.6 / 241.0 3.35 891.6 PI(38:0) C47H91O13P 894.62 893.6 / 241.0 3.6 893.6 PI(40:7) C49H81O13P 908.54 907.6 / 241.0 3.05 907.6 PI(40:6) C49H83O13P 910.56 909.6 / 241.0 2.82 HMDB0009884 LJEBGLSLXVEYMV-FTIARRKHSA-N LMGP06010796 909.6 PI(40:5) C49H85O13P 912.57 911.6 / 241.0 3.26 911.6 PI(40:4) C49H87O13P 914.59 913.6 / 241.0 3.36 HMDB0009906 YMVJQMHRDDWISR-VYAQFWOSSA-N 913.6 PI(40:3) C49H89O13P 916.6 915.6 / 241.0 3.33 UETVUFSLJVFPBK-HWAFWUSFSA-N 915.6