metabolite_name bovine_CL_LD_replicate1 bovine_CL_LD_replicate2 bovine_CL_LD_replicate3 SM(d18:1/14:0) 5.525509227 3.572569737 31.13467598 SM(d18:0/14:0) 0.096740025 0.134956575 1.139515909 SM(d18:1/16:1) 5.50684522 4.069120915 27.24593189 SM(d18:1/16:0) 137.87794 102.0558851 796.0217512 SM(d18:0/16:0) 4.807548003 2.641567635 18.59713689 SM(d18:0/18:1) 0.211888623 0.058206595 0.649904544 SM(d18:1/18:1) 3.011813681 1.857571491 12.05078486 SM(d18:1/18:0) 18.31518505 12.29159273 80.8356873 SM(d18:0/18:0) 0.489836094 0.173248059 3.71365408 SM(d18:1/20:0) 0 0 0 SM(d18:0/20:0) 0 0 0 SM(d18:1/22:1) 3.396590599 1.920461054 18.82563873 SM(d18:1/23:0) 22.00908718 17.38795819 126.5314508 SM(d18:1/24:2) 5.619704837 4.287478522 30.05939041 SM(d18:1/24:1) 20.77026939 14.67842087 112.752746 SM(d18:1/24:0) 20.23669541 16.2351697 110.2439133 metabolite_name Formula Mass MW structure Mass Info (precursor ion, product ion) Retention Times Human Metabolome Database InChIKey LipidMAPS SM(d18:1/14:0) C37H75N2O6P 674.5363 30744 3.02 SM(d18:0/14:0) C37H77N2O6P 676.5519 30746 3.13 SM(d18:1/16:1) C39H77N2O6P 700.5519 30755 3.09 SM(d18:1/16:0) C39H79N2O6P 702.5676 30728 3.26 SM(d18:0/16:0) C39H81N2O6P 704.5832 30729 3.35 SM(d18:0/18:1) C41H83N2O6P 730.5989 30747 3.32 SM(d18:1/18:1) C41H81N2O6P 728.5832 30745 3.17 SM(d18:1/18:0) C41H83N2O6P 730.5989 30726 3.47 SM(d18:0/18:0) C41H85N2O6P 732.6145 30736 3.54 SM(d18:1/20:0) C43H87N2O6P 758.6302 30730 3.4 SM(d18:0/20:0) C43H89N2O6P 760.6458 30737 3.5 SM(d18:1/22:1) C45H89N2O6P 784.6458 30785 3.71 SM(d18:1/23:0) C46H93N2O6P 800.6771 30791 3.78 SM(d18:1/24:2) C47H91N2O6P 810.6615 3.74 SM(d18:1/24:1) C47H93N2O6P 812.6771 30732 3.9 SM(d18:1/24:0) C47H95N2O6P 814.6928 30733 4.07