metabolite_identification	database_identifier	chemical_formula	smiles	inchi	mass_to_charge	modifications	charge	retention_time	taxid	species	database	database_version	reliability	uri	search_engine	search_engine_score	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[arearatio]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[internalstdretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[relretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[analytes2n]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[analyteretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[analytepeakarea]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[accuracy]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[intensityistd]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[intensity]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[concentration]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801[status]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[arearatio]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[internalstdretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[relretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[analytes2n]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[analyteretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[analytepeakarea]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[accuracy]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[intensityistd]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[intensity]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[concentration]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792[status]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[arearatio]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[internalstdretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[relretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[analytes2n]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[analyteretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[analytepeakarea]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[accuracy]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[intensityistd]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[intensity]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[concentration]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132[status]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[arearatio]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[internalstdretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[relretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[analytes2n]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[analyteretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[analytepeakarea]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[accuracy]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[intensityistd]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[intensity]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[concentration]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789[status]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[arearatio]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[internalstdretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[relretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[analytes2n]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[analyteretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[analytepeakarea]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[accuracy]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[intensityistd]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[intensity]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[concentration]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146[status]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[arearatio]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[internalstdretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[relretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[analytes2n]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[analyteretentiontime]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[analytepeakarea]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[accuracy]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[intensityistd]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[intensity]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[concentration]	PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814[status]
9S-HODE_PG02-0-1																	0.01	6.94	0.95	68.6	6.59	15400.0		422000.0	3780.0	0.0116	SMALLER_LOD	0.01	6.91	0.95	51.0	6.57	15700.0		459000.0	3750.0	0.0111	SMALLER_LOD	0.02	6.92	0.95	107.0	6.59	29300.0		408000.0	6610.0	0.0216	SMALLER_LOD	0.01	6.92	0.95	105.0	6.58	27100.0		623000.0	6360.0	0.0137	SMALLER_LOD	0.01	6.91	0.95	70.6	6.57	16900.0		459000.0	4630.0	0.0119	SMALLER_LOD	0.01	6.9	0.95	76.0	6.56	14500.0		445000.0	3640.0	0.0106	SMALLER_LOD
13S-HODE_PG02-0-1																	0.59	6.94	0.95	143.0	6.57	1110000.0		422000.0	270000.0	0.0227	SMALLER_LLOQ	0.55	6.91	0.95	124.0	6.55	1130000.0		459000.0	267000.0	0.0212	SMALLER_LLOQ	0.85	6.92	0.95	166.0	6.56	1550000.0		408000.0	362000.0	0.033100000000000004	VALID	0.63	6.92	0.95	193.0	6.56	1750000.0		623000.0	418000.0	0.0244	SMALLER_LLOQ	0.61	6.91	0.95	170.0	6.55	1240000.0		459000.0	301000.0	0.0237	SMALLER_LLOQ	0.42	6.9	0.95	118.0	6.54	831000.0		445000.0	196000.0	0.016	SMALLER_LLOQ
14(15)-EpETE_PG02-0-1																	0.0	6.94	1.01	13.3	6.99	1120.0		422000.0	253.0	0.0015	SMALLER_LOD	0.0	6.91	1.01	16.5	6.96	1680.0		459000.0	321.0	0.00153	SMALLER_LOD	0.0	6.92	1.01	21.2	6.99	2710.0		408000.0	507.0	0.00161	SMALLER_LOD	0.0	6.92	1.01	9.7	6.99	1300.0		623000.0	205.0	0.00148	SMALLER_LOD	0.0	6.91	1.01	44.9	6.97	4970.0		459000.0	993.0	0.00173	SMALLER_LOD	0.0	6.9	1.01	19.8	6.96	1980.0		445000.0	401.0	0.00155	SMALLER_LOD
12S-HETE_PG02-0-1																	1.75	6.94	1.01	8000.0	7.0	3320000.0		422000.0	749000.0	0.102	VALID	0.38	6.91	1.01	2020.0	6.97	781000.0		459000.0	171000.0	0.0213	VALID	20.6	6.92	1.01	42300.0	6.99	37600000.0		408000.0	7850000.0		NO_INTERCEPT	23.2	6.92	1.01	36200.0	6.98	64500000.0		623000.0	12400000.0		NO_INTERCEPT	7.63	6.91	1.01	36500.0	6.97	15500000.0		459000.0	3330000.0	0.491	VALID	2.08	6.9	1.01	10200.0	6.96	4160000.0		445000.0	927000.0	0.122	VALID
15S-HETE_PG02-0-1																	0.01	6.94	0.97	18.4	6.7	19000.0		422000.0	3680.0	0.000429	SMALLER_LOD	0.01	6.91	0.97	17.3	6.68	21200.0		459000.0	3650.0	0.000442	SMALLER_LOD	0.13	6.92	0.97	274.0	6.69	227000.0		408000.0	53000.0	0.005379999999999999	SMALLER_LLOQ	0.2	6.92	0.97	629.0	6.69	549000.0		623000.0	130000.0	0.00856	SMALLER_LLOQ	0.04	6.91	0.97	108.0	6.68	87600.0		459000.0	20700.0	0.00186	SMALLER_LOD	0.02	6.9	0.97	36.0	6.67	30600.0		445000.0	6630.0	0.000657	SMALLER_LOD
15S-HpETE_PG02-0-1																	0.0	6.94	0.0		0.0	0.0		422000.0	0.0	0.0	SMALLER_LOD	0.0	6.91	0.0		0.0	0.0		459000.0	0.0	0.0	SMALLER_LOD	0.0	6.92	0.0		0.0	0.0		408000.0	0.0	0.0	SMALLER_LOD	0.0	6.92	0.0		0.0	0.0		623000.0	0.0	0.0	SMALLER_LOD	0.0	6.91	0.0		0.0	0.0		459000.0	0.0	0.0	SMALLER_LOD	0.0	6.9	0.0		0.0	0.0		445000.0	0.0	0.0	SMALLER_LOD
LTB4_PG02-0-1																	0.0	6.94	0.79	6.65	5.46	3230.0		422000.0	783.0	0.000646	SMALLER_LOD	0.0	6.91	0.79	7.08	5.44	4930.0		459000.0	1040.0	0.0006760000000000001	SMALLER_LOD	0.01	6.92	0.78	16.7	5.41	13100.0		408000.0	2580.0	0.000877	SMALLER_LOD	0.01	6.92	0.78	25.0	5.42	27300.0		623000.0	4150.0	0.000989	SMALLER_LOD	0.01	6.91	0.78	7.96	5.41	11300.0		459000.0	1740.0	0.0008100000000000001	SMALLER_LOD	0.01	6.9	0.79	13.8	5.42	10700.0		445000.0	1960.0	0.0008	SMALLER_LOD
5S-HpETE_PG02-0-1																	0.0	6.94	0.0		0.0	0.0		422000.0	0.0	0.0	SMALLER_LOD	0.0	6.91	0.0		0.0	0.0		459000.0	0.0	0.0	SMALLER_LOD	0.0	6.92	0.0		0.0	0.0		408000.0	0.0	0.0	SMALLER_LOD	0.0	6.92	0.0		0.0	0.0		623000.0	0.0	0.0	SMALLER_LOD	0.0	6.91	0.0		0.0	0.0		459000.0	0.0	0.0	SMALLER_LOD	0.0	6.9	0.0		0.0	0.0		445000.0	0.0	0.0	SMALLER_LOD
TXB2_PG02-0-1																	0.01	2.7	1.0	19.3	2.7	34500.0		701000.0	7850.0	0.00217	SMALLER_LOD	0.01	2.68	1.0	9.12	2.69	22700.0		684000.0	4230.0	0.00156	SMALLER_LOD	0.33	2.67	1.0	431.0	2.68	860000.0		606000.0	183000.0	0.0515	VALID	0.55	2.73	1.0	1010.0	2.74	2280000.0		922000.0	447000.0	0.0867	VALID	0.1	2.68	1.0	160.0	2.69	291000.0		695000.0	63300.0	0.0152	SMALLER_LLOQ	0.02	2.69	1.0	27.2	2.71	59700.0		663000.0	13000.0	0.0036	SMALLER_LOD
LTD4_PG02-0-1																	0.0	2.91	1.04	5.43	3.02	2850.0		510000.0	657.0	0.00182	SMALLER_LOD	0.0	2.9	1.04	6.47	3.01	3500.0		510000.0	820.0	0.00183	SMALLER_LOD	0.01	2.88	1.03	14.9	2.97	16000.0		468000.0	2610.0	0.00213	SMALLER_LOD	0.0	2.95	1.05	11.2	3.09	4990.0		713000.0	996.0	0.00183	SMALLER_LOD	0.0	2.89	1.04	9.69	2.99	8320.0		530000.0	1350.0	0.00193	SMALLER_LOD	0.0	2.91	1.04	4.59	3.01	3050.0		483000.0	608.0	0.00183	SMALLER_LOD
DHA_PG02-0-1																	3.46	10.9	1.01	252.0	11.0	84800000.0		2290000.0	7110000.0	5.88	VALID	3.59	10.9	1.01	549.0	11.0	92900000.0		2390000.0	7500000.0	6.15	VALID	4.22	10.9	1.01	402.0	11.0	82900000.0		1870000.0	7260000.0	7.51	VALID	2.78	10.9	1.01	309.0	11.0	88000000.0		2990000.0	7510000.0	4.57	VALID	2.72	10.9	1.01	352.0	11.0	56200000.0		1830000.0	4800000.0	4.46	VALID	4.22	10.9	1.01	827.0	11.0	108000000.0		2350000.0	8490000.0	7.52	VALID
PGE2_PG02-0-1																	0.0	3.24	0.0		0.0	0.0		759000.0	0.0	0.0	SMALLER_LOD	0.0	3.24	0.0		0.0	0.0		746000.0	0.0	0.0	SMALLER_LOD	0.0	3.22	0.0		0.0	0.0		725000.0	0.0	0.0	SMALLER_LOD	0.03	3.29	1.01	48.4	3.31	188000.0		1070000.0	24000.0	0.00317	SMALLER_LOD	0.0	3.22	0.0		0.0	0.0		793000.0	0.0	0.0	SMALLER_LOD	0.0	3.24	0.0		0.0	0.0		723000.0	0.0	0.0	SMALLER_LOD
8-iso-PGF2a_PG02-0-1																	0.0	2.91	0.0		0.0	0.0		510000.0	0.0	0.0	SMALLER_LOD	0.0	2.9	0.0		0.0	0.0		510000.0	0.0	0.0	SMALLER_LOD	0.0	2.88	0.93	0.701	2.68	1970.0		468000.0	502.0	0.00193	SMALLER_LOD	0.0	2.95	0.92	0.951	2.7	4800.0		713000.0	753.0	0.00201	SMALLER_LLOQ	0.0	2.89	0.0		0.0	0.0		530000.0	0.0	0.0	SMALLER_LOD	0.0	2.91	0.0		0.0	0.0		483000.0	0.0	0.0	SMALLER_LOD
PGF2a_PG02-0-1																	0.02	2.91	1.0	10.7	2.92	39100.0		510000.0	8190.0	0.000638	SMALLER_LOD	0.02	2.9	1.0	6.95	2.91	45700.0		510000.0	9220.0	0.000993	SMALLER_LOD	0.02	2.88	1.0	13.6	2.89	49700.0		468000.0	10700.0	0.00162	SMALLER_LOD	0.03	2.95	1.0	22.5	2.96	102000.0		713000.0	19500.0	0.0028	SMALLER_LLOQ	0.02	2.89	1.0	11.8	2.9	49700.0		530000.0	9760.0	0.00124	SMALLER_LOD	0.02	2.91	1.0	10.6	2.92	43200.0		483000.0	8450.0	0.000974	SMALLER_LOD
6-keto-PGF1a_PG02-0-1																	0.03	2.35	1.0	49.4	2.36	54900.0		471000.0	9730.0	0.00119	SMALLER_LOD	0.02	2.34	1.0	37.9	2.35	44500.0		457000.0	8020.0	0.0008439999999999999	SMALLER_LOD	0.05	2.34	1.0	103.0	2.35	90800.0		428000.0	20500.0	0.00279	SMALLER_LOD	0.11	2.37	1.0	354.0	2.38	299000.0		621000.0	65800.0	0.006840000000000001	VALID	0.04	2.34	1.0	84.2	2.35	84500.0		476000.0	15700.0	0.00214	SMALLER_LOD	0.03	2.35	1.0	43.3	2.36	49800.0		461000.0	9500.0	0.0010500000000000002	SMALLER_LOD
PGD2_PG02-0-1																	0.01	3.64	1.01	7.25	3.66	26900.0		507000.0	2420.0	0.0011300000000000001	SMALLER_LOD	0.0	3.63	1.0	3.32	3.63	8690.0		509000.0	1230.0	0.0007379999999999999	SMALLER_LOD	0.02	3.6	1.01	18.1	3.63	63700.0		462000.0	9560.0	0.00198	SMALLER_LOD	0.03	3.7	1.0	50.6	3.71	168000.0		778000.0	24500.0	0.00279	SMALLER_LOD	0.01	3.62	1.0	9.81	3.63	28700.0		562000.0	4620.0	0.0011	SMALLER_LOD	0.0	3.64	1.0	4.51	3.65	8710.0		479000.0	1460.0	0.000746	SMALLER_LOD
AA_PG02-0-1																	1.48	10.9	1.09	320.0	11.9	36300000.0		2290000.0	2740000.0	7.7	SMALLER_LLOQ	1.2	10.9	1.09	339.0	11.9	31100000.0		2390000.0	2420000.0	6.18	SMALLER_LLOQ	1.96	10.9	1.09	373.0	11.9	38500000.0		1870000.0	3030000.0	10.4	SMALLER_LLOQ	1.67	10.9	1.09	316.0	11.9	52800000.0		2990000.0	3940000.0	8.75	SMALLER_LLOQ	1.26	10.9	1.09	288.0	11.9	26000000.0		1830000.0	2060000.0	6.47	SMALLER_LLOQ	1.42	10.9	1.09	319.0	11.9	36300000.0		2350000.0	2660000.0	7.35	SMALLER_LLOQ
