metabolite_name bovine_CL_LD_replicate1 bovine_CL_LD_replicate2 bovine_CL_LD_replicate3 CE(14:0) 0 0 9.286732043 CE(14:1) 2.724749811 0.185013876 5.735430157 CE(15:0) 4.143669031 7.058977677 53.37635324 CE(16:0) 1.803383339 0 19.77338015 CE(16:1) 0 0 2.177393532 CE(17:0) 1.8634513 2.113999374 8.534293768 CE(17:1) 0 0 1.947847942 CE(18:0) 2.681499188 0 18.34145445 CE(18:1) 10.68211859 3.381390059 68.91887738 CE(18:2) 2.343509097 0.107924761 26.79617638 CE(18:3) 0.463972533 0 2.551848931 CE(19:0) 0 0 0 CE(20:0) 3.68765151 2.512304415 10.93072798 CE(20:1) 1.002018773 0 12.02422528 CE(20:2) 1.005010272 0.073897814 8.099200426 CE(20:3) 1.764008301 0.563296768 13.83041803 CE(20:4) 3.419667549 1.724701894 37.1405632 CE(22:0) 0 0 0 CE(22:1) 0 0 10.06141567 CE(22:4) 5.123607019 3.444202496 51.67726969 CE(22:5) 3.339898947 0.94202278 30.23036739 CE(22:6) 0.758660177 0.042943029 3.335241912 metabolite_name Formula Mass MW structure Mass Info (precursor ion, product ion) Retention Times Human Metabolome Database InChIKey LipidMAPS CE(14:0) C41H72O2 596.55 34670 HMDB0006725 SJDMTGSQPOFVLR-ZPQCIJQQSA-N LMST01020004 CE(14:1) C41H70O2 594.54 34687 HMDB0062458 LAMGDJMPDNVWTB-BJZZQDJASA-N LMST01020021 CE(15:0) C42H74O2 610.57 34693 HMDB0060057 BDBPUUADYAQHAV-LNVIZZJGSA-N LMST01020027 CE(16:0) C43H76O2 624.58 34671 HMDB0000885 BBJQPKLGPMQWBU-JADYGXMDSA-N LMST01020005 CE(16:1) C43H74O2 622.57 HODJWNWCVNUPAQ-XDOSKZMUSA-N LMST01020006 CE(17:0) C44H78O2 638.60 34692 HMDB0060059 PPQNZVDOBYGOLY-QEXSOPRKSA-N LMST01020026 CE(17:1) C44H76O2 636.58 34689 HMDB0062454 RLMIGWIAENJHMP-RJRTUNKTSA-N LMST01020023 CE(18:0) C45H80O2 652.62 34673 HMDB0062461 XHRPOTDGOASDJS-XNTGVSEISA-N LMST01020007 CE(18:1) C45H78O2 650.60 34669 HMDB0000918 RJECHNNFRHZQKU-RMUVNZEASA-N LMST01020003 CE(18:2) C45H76O2 648.58 34674 HMDB0000610 NAACPBBQTFFYQB-LJAITQKLSA-N LMST01020008 CE(18:3) C45H74O2 646.57 34675 HMDB0010370 FYMCIBHUFSIWCE-WVXFKAQASA-N LMST01020009 CE(19:0) C46H82O2 666.63 HMDB0006738 VHYWECIJXTVRSG-TVDLSCFRSA-N CE(20:0) C47H84O2 680.65 34676 HMDB0062459 SUOVMGLZSOAHJY-JREUTYQLSA-N LMST01020010 CE(20:1) C47H82O2 678.63 34677 OWTYWMJVQZQWFH-UQPFUGTCSA-N LMST01020011 CE(20:2) C47H80O2 676.62 34678 HMDB0062455 REFJKOQDWJELKE-AKLGJIFXSA-N LMST01020012 CE(20:3) C47H78O2 674.60 40920 MLPRJPSMAFZPLA-BBFGHUFCSA-N LMST01020013 CE(20:4) C47H76O2 672.58 HMDB0006726 IMXSFYNMSOULQS-BEDFLICRSA-N LMST01020014 CE(22:0) C49H88O2 708.68 34682 WBOQXYUYHINMOC-FTAWAYKBSA-N LMST01020016 CE(22:1) C49H86O2 706.66 34691 HMDB0010372 SQHUGNAFKZZXOT-JWTURFAQSA-N CE(22:4) C49H80O2 700.62 34684 HMDB0006729 ITGTXSFLBABXQA-BMURBKCOSA-N LMST01020018 CE(22:5) C49H78O2 698.60 40921 HMDB0062457 XOLZNHXNFMEUGA-DCDLNIKOSA-N LMST01020031 CE(22:6) C49H76O2 696.58 34685 VOEVEGPMRIYYKC-HNJOWPRISA-N LMST01020019