metabolite_name bovine_CL_LD_replicate1 bovine_CL_LD_replicate2 bovine_CL_LD_replicate3 LPS(16:0) 0.108918988 0 0 LPS(18:3) 0.02299992 0 0 LPS(18:2) 0.046906267 0 0.023497528 LPS(18:1) 0.348490907 0.24972622 0.761588497 LPS(18:0) 0.412735164 0.313883621 1.249784589 LPS(20:4) 0 0 0 LPS(20:3) 0 0.058191563 0.137916738 LPS(20:2) 0.001386176 0 0.013713266 LPS(20:1) 0.001505687 0.006136273 0 LPS(20:0) 0 0 0 LPS(22:6) 0.386530906 0.253588118 0.989022756 PS(34:2) 0.01746611 0.33424515 1.437490869 PS(34:1) 1.274937901 1.264905801 6.691799338 PS(34:0) 0.182407093 0 0.830697061 PS(36:4) 0 0 1.079693882 PS(36:3) 1.00795523 0.588666739 3.713239524 PS(36:2) 4.732651206 3.617113571 19.11724807 PS(36:1) 7.516913985 9.511472884 52.19091413 PS(36:0) 0.033665114 0 0.075882904 PS(38:6) 0 0 0.098108747 PS(38:5) 0.872219971 0.663131335 4.36663133 PS(38:4) 2.385256595 2.020705667 12.16601613 PS(38:3) 5.164240615 8.78451058 36.65639315 PS(38:2) 1.498481612 2.605030533 16.58765906 PS(38:1) 0.538753509 0.964504941 4.296959154 PS(40:7) 0 0 0 PS(40:6) 0.237663282 0.613911417 5.979563369 PS(40:5) 16.43385681 16.21417012 101.5532788 PS(40:4) 5.685870431 13.28870945 50.83893961 PS(40:3) 0.027536724 0 3.046742588 metabolite_name Formula Mass MW structure Mass Info (precursor ion, product ion) retention times Human Metabolome Database InChIKey LipidMAPS quantified m/z LPS(16:0) C22H42NO10P 511.25 496.3 / 409.3 1.04 XIVOBOJQPNEUSC-UXHICEINSA-N LMGP03050002 496.3 LPS(18:3) 518.3 / 431.3 0.77 518.3 LPS(18:2) C24H42NO10P 535.25 520.3 / 433.3 0.99 520.3 LPS(18:1) C24H44NO10P 537.27 522.3 / 435.3 1.22 JZWNYZVVZXZRRH-YFKVPUFHSA-N LMGP03050001 522.3 LPS(18:0) C24H46NO10P 539.29 524.3 / 437.3 1.32 ZPDQFUYPBVXUKS-YADHBBJMSA-N LMGP03050006 524.3 LPS(20:4) C26H42NO10P 559.25 544.3 / 457.3 0.99 XHWSRRGLFMDBOB-RRJHOXOUSA-N LMGP03050007 544.3 LPS(20:3) C26H44NO10P 561.27 546.3 / 459.3 0.95 546.3 LPS(20:2) C26H46NO10P 563.29 548.3 / 461.3 1.54 548.3 LPS(20:1) C26H48NO10P 565.3 550.3 / 463.3 2.33 550.3 LPS(20:0) C26H50NO10P 567.32 552.3 / 465.3 2.75 552.3 LPS(22:6) 570.3 / 483.3 0.99 570.3 PS(34:2) C40H74NO10P 759.51 758.5 / 671.5 3.06 HMDB0012388 JSCZUPSIMWRJHP-KQQJSZDRSA-N LMGP03010881 758.5 PS(34:1) C40H76NO10P 761.52 760.5 / 673.5 3.16 HMDB0012387 ILJAXXNZNFOOQA-DAQGAKHBSA-N LMGP03010959 760.5 PS(34:0) C40H78NO10P 763.54 762.5 / 675.5 3.63 UYGORIHCWHGAJE-AARKOHAPSA-N LMGP03010906 762.5 PS(36:4) C42H74NO10P 783.51 782.5 / 695.5 3.19 HMDB0012402 782.5 PS(36:3) C42H76NO10P 785.52 784.5 / 697.5 3.3 HMDB0012391 MWONMGIZXLAUBR-QUBHBNJHSA-N LMGP03010958 784.5 PS(36:2) C42H78NO10P 787.54 786.5 / 699.5 3.52 HMDB0012390 WTBFLCSPLLEDEM-JIDRGYQWSA-N LMGP03010030 786.5 PS(36:1) C42H80NO10P 789.55 788.5 / 701.5 3.63 HMDB0010163 AJFWREUFUPEYII-PAHWMLEVSA-N LMGP03010025 788.5 PS(36:0) C42H82NO10P 791.57 790.5 / 703.5 3.42 HMDB0012378 TZCPCKNHXULUIY-RGULYWFUSA-N LMGP03010036 790.5 PS(38:6) C44H74NO10P 807.51 806.5 / 719.5 3.05 HMDB0012362 PWBBJQOVCTWPIM-FAYDGCQZSA-N LMGP03010043 806.5 PS(38:5) C44H76NO10P 809.52 808.5 / 721.5 3.07 HMDB0012394 PVENTVZLUAWWEI-OXBTWZGPSA-N LMGP03010879 808.5 PS(38:4) C44H78NO10P 811.54 810.5 / 723.5 3.52 HMDB0012383 SVOUGFFDROZBJI-DNALCEECSA-N LMGP03010039 810.5 PS(38:3) C44H80NO10P 813.55 812.5 / 725.5 3.33 HMDB0012382 LIBQKAKFGGIIDU-NVSSCHKGSA-N 812.5 PS(38:2) C44H82NO10P 815.57 814.5 / 727.5 3.74 814.5 PS(38:1) C44H84NO10P 817.58 816.5 / 729.5 3.56 816.5 PS(40:7) C46H76NO10P 833.52 832.5 / 745.5 3.3 HMDB0012437 IEHVRLNIHFLLMS-WUDDRQCASA-N LMGP03010641 832.5 PS(40:6) C46H78NO10P 835.54 834.5 / 747.5 3.41 HMDB0010167 LYYHRRPTEXPVOR-SYEOQEKUSA-N LMGP03010040 834.5 PS(40:5) C46H80NO10P 837.55 836.5 / 749.5 3.32 HMDB0010166 PZEFRSYCROBXSJ-AOWFZNJASA-N 836.5 PS(40:4) C46H82NO10P 839.57 838.5 / 751.5 3.63 838.5 PS(40:3) C46H84NO10P 841.58 840.5 / 753.5 3.85 840.5