metabolite_name	QCL1	QCL2	QCL3	H99-0_A	H99-0_B	H99-0_C	H99-250_A	H99-250_B	H99-250_C	Pho-0_A	Pho-0_B	Pho-0_C	Pho-250_A	Pho-250_B	Pho-250_C
1-Heneicosanoyl-glycero-3-phosphoserine	3098.4	3307.1	3430.2	576.9	659.7	617.0	11799.5	5844.2	9191.0	239.2	254.2	254.6	4726.2	4333.2	3825.0
DGGA 16:0_18:1	4891.3	4776.5	4753.7	3786.7	4472.6	6720.0	343.4	106.5	103.4	9658.7	13382.2	21378.1	208.5	222.0	291.4
DGGA 16:0_18:2	10762.6	10547.7	10173.5	11990.2	10304.6	15288.2	621.9	116.1	82.5	24639.6	25541.5	30745.4	317.2	354.7	458.2
PA(20:5-OH(5)/a-25:0)	929.1	931.3	988.2	287.9	311.1	340.2	1528.0	1230.5	1638.2	325.8	380.4	541.2	3719.9	4397.3	1757.1
PC(18:1/TXB2)	5094.0	5110.6	5165.4	429.8	1344.3	689.6	5614.0	4507.1	5694.0	294.1	314.1	420.7	9548.9	10138.1	6294.9
PC(PGE1/P-16:0)	716.3	724.6	706.4	61.9	181.7	99.4	441.1	390.8	449.2	66.4	66.3	62.9	2574.5	2441.2	1138.4
PE 16:0_18:2	1945.9	1891.7	2167.2	1002.9	1561.6	1222.6	1613.4	1519.1	1779.6	330.1	533.0	983.8	6463.0	6764.4	2612.2
PE 18:1_18:1	6012.3	5693.3	5837.9	561.2	1166.3	944.5	8139.7	5720.2	8918.2	324.8	404.9	712.8	19635.5	22563.3	7615.8
PE 18:1_18:2	15584.1	15252.3	15689.7	1490.6	2868.2	2306.3	18447.4	14682.3	19139.9	521.3	739.4	1551.5	45606.6	51039.6	19850.2
PE 18:2_18:2	8877.5	8899.3	8770.6	1093.5	2235.4	1636.4	9056.1	7194.4	9366.8	440.7	581.6	1079.1	30331.3	30347.1	12032.3
PE(16:0/18:1)	1821.1	1669.9	1599.2	597.3	1148.1	980.6	1448.0	1180.8	1759.6	435.9	542.0	1265.1	5424.8	6310.3	2434.6
PE(20:0/18:1-2OH)	1716.5	1809.1	1730.1	308.6	705.0	420.1	2453.9	1431.3	2174.5	302.9	396.6	539.8	5219.5	5876.8	2296.2
PE(20:0/PGF1alpha)	30322.8	30287.3	33587.1	1867.0	7954.6	3342.2	44665.9	30548.8	37929.1	892.3	1213.0	2087.3	98591.2	115472.1	46491.4
PE(20:1/18:1-2OH)	5997.2	6026.3	5845.8	747.2	2211.0	1176.0	7595.6	5239.8	6836.6	862.2	949.8	1235.0	20333.9	21953.6	8389.0
PE(20:1/PGF1alpha)	35635.9	38416.0	37773.4	2123.7	7951.9	3713.9	42115.0	30595.6	41241.8	945.2	1210.7	1876.9	106892.3	117134.7	48605.9
PE(TXB2/22:1)	1396.9	1475.5	1537.7	688.7	803.2	841.3	1448.4	940.2	1498.2	884.9	1030.4	1570.5	3124.9	3740.8	1428.0
PI 16:0_18:1	4130.2	4237.7	4230.3	1745.4	2355.2	3612.5	4121.7	4088.7	4479.7	1665.4	1946.1	2962.0	11413.5	13511.2	4988.9
PI 16:0_18:2	4925.4	5343.2	5042.2	2650.6	2752.8	4228.6	4590.9	4570.2	5072.8	1678.7	2343.7	3752.2	13892.8	16753.4	5807.9
PS(18:0/18:1)	1097.6	1030.6	1007.5	138.7	240.4	201.3	1508.8	1037.1	1586.7	92.9	93.6	131.7	3194.8	3703.8	1274.8
PS(18:1/18:2)	1593.5	1563.7	1561.1	233.7	480.5	352.5	1541.6	1260.2	1696.8	89.8	166.2	205.2	4390.2	4390.2	2010.7
PS(18:2/18:0)	2730.1	2634.8	2678.6	330.1	527.6	473.8	3137.1	2593.7	3184.1	144.3	209.0	305.1	6574.7	6977.5	3347.1
PS(22:0/18:1-2OH)	1583.2	1458.6	1458.4	165.7	451.5	275.9	2754.6	1610.5	2395.7	183.4	155.5	238.9	5083.0	6041.4	2501.5
PS(22:1/18:1-2OH)	4298.9	4182.2	4609.9	413.8	1467.8	629.7	6103.3	4499.5	5182.5	252.1	310.5	445.1	9435.5	10655.5	6211.9
PS(24:1/15:0)	9420.8	8814.4	8732.5	605.2	1995.2	1101.0	16302.5	9586.5	14540.5	621.0	575.8	914.7	33556.3	40419.1	14874.4
SM(d18:2/TXB2)	2271.4	2214.1	2181.9	2533.0	2121.6	3111.9	312.8	249.7	251.2	4566.1	4649.9	5173.0	619.6	674.2	363.7

metabolite_name	Accepted Compound ID	m/z	Adducts	Formula	Retention time (min)
1-Heneicosanoyl-glycero-3-phosphoserine	HMDB0243883	566.3458	M-H	C27H54NO9P	1.44
DGGA 16:0_18:1	DGGA 16:0_18:1	769.5462	M-H	C43H78O11	5.06
DGGA 16:0_18:2	DGGA 16:0_18:2	767.5303	M-H	C43H76O11	4.64
PA(20:5-OH(5)/a-25:0)	HMDB0267278	817.5778	M-H2O-H	C48H85O9P	4.96
PC(18:1/TXB2)	HMDB0286453	894.5456	M+Na-2H	C46H84NO12P	4.32
PC(PGE1/P-16:0)	HMDB0289518	814.5594	M-H	C44H82NO10P	4.48
PE 16:0_18:2	PE 16:0_18:2	714.5070	M-H	C39H74NO8P	4.82
PE 18:1_18:1	PE 18:1_18:1	742.5381	M-H	C41H78NO8P	5.34
PE 18:1_18:2	PE 18:1_18:2	740.5225	M-H	C41H76NO8P	4.87
PE 18:2_18:2	PE 18:2_18:2	738.5068	M-H	C41H74NO8P	4.45
PE(16:0/18:1)	HMDB0008926	716.5225	M-H	C39H76NO8P	5.29
PE(20:0/18:1-2OH)	HMDB0261872	804.5743	M-H	C43H84NO10P	5.12
PE(20:0/PGF1alpha)	HMDB0261914	828.5744	M-H2O-H	C45H86NO11P	4.72
PE(20:1/18:1-2OH)	HMDB0261976	802.5592	M-H	C43H82NO10P	4.67
PE(20:1/PGF1alpha)	HMDB0262018	826.5587	M-H2O-H	C45H84NO11P	4.32
PE(TXB2/22:1)	HMDB0283857	868.5746	M-H2O-H	C47H86NO12P	4.97
PI 16:0_18:1	PI 16:0_18:1	835.5325	M-H	C43H81O13P	4.54
PI 16:0_18:2	PI 16:0_18:2	833.5172	M-H	C43H79O13P	4.16
PS(18:0/18:1)	HMDB0010163	810.5251	M+Na-2H	C42H80NO10P	5.34
PS(18:1/18:2)	HMDB0112389	806.4943	M+Na-2H	C42H76NO10P	4.45
PS(18:2/18:0)	HMDB0012400	808.5095	M+Na-2H	C42H78NO10P	4.87
PS(22:0/18:1-2OH)	HMDB0282930	898.5764	M+Na-2H	C46H88NO12P	5.18
PS(22:1/18:1-2OH)	HMDB0283034	896.5612	M+Na-2H	C46H86NO12P	4.73
PS(24:1/15:0)	HMDB0112912	830.5895	M-H	C45H86NO10P	5.18
SM(d18:2/TXB2)	HMDB0290575	835.5186	M+Na-2H	C43H79N2O10P	4.64