metabolite_name bovine_CL_LD_replicate1 bovine_CL_LD_replicate2 bovine_CL_LD_replicate3 Sphinganine 0 0.074681748 1.109685348 Sphingosine 0 0 0 Cer(d16:1/16:0) 0.26782155 0.148291093 1.024119322 Cer(d16:1/18:0) 0.021927297 0 0.080448647 Cer(d18:1/14:0) 0.650610018 0.363639816 0.819638896 Cer(d18:2/16:0) 0.110654794 0.044851071 1.152945852 Cer(d18:1/16:1) 0 0 0 Cer(d18:1/16:0) 9.071798528 4.592071974 54.02023884 Cer(d18:1/16:0(OH)) 2.536959068 0.745097368 1.60959888 Cer(d18:2/18:1) 0.138269196 0.040078403 0.072016877 Cer(d18:1/18:1) 0.529923136 0.390715591 1.301201072 Cer(d18:1/18:0) 0 0 2.501062395 Cer(d18:2/20:1) 0.039979172 0 0.068108833 Cer(d18:2/20:0) 0.065744525 0.004268173 0 Cer(d18:1/20:0) 0 0 0 Cer(d18:2/22:1) 0.129448482 0.019610636 0.051162394 Cer(d18:1/24:1) 14.22200206 8.710743037 77.6661647 Cer(d18:1/24:0) 0 0 44.69866029 Cer(d18:1/25:0) 0 0 0 GlcCer(d18:1/14:0) 0.06555451 0.045076006 0.111433906 Cer(d18:1/26:1) 0 0 0 Cer(d18:1/26:0) 0 0 0 GlcCer(d18:1/16:1) 0 0 0 GlcCer(d18:1/16:0) 1.54852109 1.197628402 6.48766492 GlcCer(d18:1/18:1) 0 0.000516084 0.119684473 GlcCer(d18:1/18:0) 0.429260822 0.126260802 0.900671088 GlcCer(d18:1/20:1) 0 0 0.039419013 GlcCer(d18:1/20:0) 0 0.086107755 0.243094757 GlcCer(d18:1/22:0) 0.627280885 0.744028618 3.518740946 GlcCer(d18:1/24:1) 0.209399747 0.251806011 2.295401581 GlcCer(d18:1/24:0) 0.518468154 0.755765793 3.918735835 GlcCer(d18:1/26:1) 0 0 0 GlcCer(d18:1/26:0) 0 0 0 LacCer(d18:1/16:0) 1.045194528 0.306367937 2.59754704 LacCer(d18:1/18:1) 0.073331926 0.053298592 0 LacCer(d18:1/18:0) 0.097210509 0 0.09068017 LacCer(d18:1/22:0) 0 0 0.338500303 LacCer(d18:1/24:1) 0 0.092433279 0 LacCer(d18:1/24:0) 0 0 0.034537728 LacCer(d18:1/26:1) 0 0 0 LacCer(d18:1/26:0) 0.019520366 0 0.049075767 Cer(d18:0/16:0) 0.827192721 0.959490725 7.166436435 Cer(d18:0/18:1) 0 0 0.040171863 Cer(d18:0/18:0) 0 0 0.195856123 Cer(d18:0/20:0) 0 0 0 Cer(d18:0/22:0) 0 0 0.416537403 Cer(d18:0/24:1) 0 0 1.087529251 Cer(d18:0/24:0) 0 0 0.114948774 metabolite_name Formula Mass MW structure Mass Info (precursor ion, product ion) Retention Times Human Metabolome Database InChIKey LipidMAPS Sphinganine C18H39NO2 301.2981 30476 1.8 HMDB0000269 OTKJDMGTUTTYMP-ZWKOTPCHSA-N LMSP01020001 Sphingosine C18H37NO2 299.2824 30474 1.52 WWUZIQQURGPMPG-KRWOKUGFSA-N LMSP01010001 Cer(d16:1/16:0) C32H63NO3 509.4808 3.97 Cer(d16:1/18:0) C34H67NO3 537.5121 30603 4.16 Cer(d18:1/14:0) C32H63NO3 509.4808 30562 3.96 Cer(d18:2/16:0) C34H65NO3 535.4964 30582 4 Cer(d18:1/16:1) C34H65NO3 535.4964 4.09 Cer(d18:1/16:0) C34H67NO3 537.5121 30565 4.16 Cer(d18:1/16:0(OH)) C34H67NO4 553.507 4.09 Cer(d18:2/18:1) C36H67NO3 561.5121 30583 4.07 Cer(d18:1/18:1) C36H69NO3 563.5277 30564 4.19 Cer(d18:1/18:0) C36H71NO3 565.5434 30566 4.33 Cer(d18:2/20:1) C38H71NO3 589.5434 30585 3.86 Cer(d18:2/20:0) C38H73NO3 591.559 30584 4.36 Cer(d18:1/20:0) C38H75NO3 593.5747 30567 4.48 Cer(d18:2/22:1) C40H75NO3 617.5747 4.39 Cer(d18:1/24:1) C42H81NO3 647.6216 30569 4.62 Cer(d18:1/24:0) C42H83NO3 649.6373 30572 4.75 Cer(d18:1/25:0) C43H85NO3 663.6529 30573 4.84 GlcCer(d18:1/14:0) 3.86 Cer(d18:1/26:1) C44H85NO3 675.6529 30570 4.78 Cer(d18:1/26:0) C44H87NO3 677.6686 30571 4.92 GlcCer(d18:1/16:1) C40H75NO8 697.5493 3.76 GlcCer(d18:1/16:0) C40H77NO8 699.5649 31063 4.06 GlcCer(d18:1/18:1) C42H79NO8 725.5806 31080 4.1 GlcCer(d18:1/18:0) C42H81NO8 727.5962 31065 4.23 GlcCer(d18:1/20:1) C44H83NO8 753.6119 4.26 GlcCer(d18:1/20:0) C44H85NO8 755.6275 31066 4.39 GlcCer(d18:1/22:0) C46H89NO8 783.6588 31067 4.52 GlcCer(d18:1/24:1) C48H91NO8 809.6745 31068 4.52 GlcCer(d18:1/24:0) C48H93NO8 811.6901 31069 4.65 GlcCer(d18:1/26:1) C50H95NO8 837.7058 31070 4.66 GlcCer(d18:1/26:0) C50H97NO8 839.7214 31071 4.8 LacCer(d18:1/16:0) C46H87NO13 861.6177 31136 4 LacCer(d18:1/18:1) C48H89NO13 887.6334 31144 4.06 LacCer(d18:1/18:0) C48H91NO13 889.649 31137 4.19 LacCer(d18:1/22:0) C52H99NO13 945.7116 31139 4.49 LacCer(d18:1/24:1) C54H101NO13 971.7273 31142 4.49 LacCer(d18:1/24:0) C54H103NO13 973.7429 31140 4.59 LacCer(d18:1/26:1) C56H105NO13 999.7586 31143 4.63 LacCer(d18:1/26:0) C56H107NO13 1001.7742 31141 4.76 Cer(d18:0/16:0) C34H69NO3 539.5277 30653 4.21 Cer(d18:0/18:1) C36H71NO3 565.5434 30661 4.26 Cer(d18:0/18:0) C36H73NO3 567.559 30654 4.37 Cer(d18:0/20:0) C38H77NO3 595.5903 30655 4.46 Cer(d18:0/22:0) C40H81NO3 623.6216 30656 4.59 Cer(d18:0/24:1) C42H83NO3 649.6373 30657 4.65 Cer(d18:0/24:0) C42H85NO3 651.6529 30658 4.78