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