#METABOLOMICS WORKBENCH cwalker_bcm_20200124_122813 DATATRACK_ID:1907 STUDY_ID:ST001312 ANALYSIS_ID:AN002185 PROJECT_ID:PR000890
VERSION             	1
CREATED_ON             	February 2, 2020, 7:03 pm
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic profiling after early-life exposure to an endocrine disrupting
PR:PROJECT_TITLE                 	chemical in serum.
PR:PROJECT_TYPE                  	Untargeted MS analysis
PR:PROJECT_SUMMARY               	Lipidomic profiling in serum after early-life exposure to an endocrine
PR:PROJECT_SUMMARY               	disrupting chemical.
PR:INSTITUTE                     	Baylor College of Medicine
PR:LAST_NAME                     	Walker
PR:FIRST_NAME                    	Cheryl
PR:ADDRESS                       	1 Baylor Plaza
PR:EMAIL                         	Cheryl.walker@bcm.edu
PR:PHONE                         	7137988219
#STUDY
ST:STUDY_TITLE                   	Lipid expression in serum after early lifer exposure to an endocrine disruptor
ST:STUDY_TITLE                   	at 70 days postnatal (part-III)
ST:STUDY_TYPE                    	Lipid expression after chemical exposure versus control.
ST:STUDY_SUMMARY                 	Our early-life environment has a profound influence on developing organs that
ST:STUDY_SUMMARY                 	impact metabolic function and determines disease susceptibility across the
ST:STUDY_SUMMARY                 	life-course. Using a rat model for exposure to an endocrine disrupting chemical
ST:STUDY_SUMMARY                 	(EDC), we show that early-life exposure causes metabolic dysfunction in
ST:STUDY_SUMMARY                 	adulthood and reprograms histone marks in the developing liver to accelerate
ST:STUDY_SUMMARY                 	acquisition of an adult epigenomic signature. This epigenomic reprogramming
ST:STUDY_SUMMARY                 	persists long after the initial exposure, but many reprogrammed genes remain
ST:STUDY_SUMMARY                 	transcriptionally silent with their impact on metabolism not revealed until a
ST:STUDY_SUMMARY                 	later life exposure to a Western-style diet. Diet-dependent metabolic disruption
ST:STUDY_SUMMARY                 	was largely driven by reprogramming of the Early Growth Response 1 (EGR1)
ST:STUDY_SUMMARY                 	transcriptome and production of metabolites in pathways linked to cholesterol,
ST:STUDY_SUMMARY                 	lipid and one-carbon metabolism. These findings demonstrate the importance of
ST:STUDY_SUMMARY                 	epigenome:environment interactions, which early in life accelerate epigenomic
ST:STUDY_SUMMARY                 	aging, and later in adulthood unlock metabolically restricted epigenetic
ST:STUDY_SUMMARY                 	reprogramming to drive metabolic dysfunction.
ST:INSTITUTE                     	Baylor College of Medicine
ST:LAST_NAME                     	Walker
ST:FIRST_NAME                    	Cheryl
ST:ADDRESS                       	1 Baylor Plaza
ST:EMAIL                         	Cheryl.walker@bcm.edu
ST:PHONE                         	7137988219
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	10
ST:NUM_MALES                     	10
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
SU:GENOTYPE_STRAIN               	Sprague Dawley
SU:AGE_OR_AGE_RANGE              	70 days old
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Harlan
SU:ANIMAL_HOUSING                	polycarbonate-free caging
SU:ANIMAL_LIGHT_CYCLE            	14-hr light and 10-hr dark
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	ncB1	Treatment:BPA	Day of Serum Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncB2	Treatment:BPA	Day of Serum Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncB3	Treatment:BPA	Day of Serum Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncB4	Treatment:BPA	Day of Serum Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncB5	Treatment:BPA	Day of Serum Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncV1	Treatment:vehicle	Day of Serum Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncV2	Treatment:vehicle	Day of Serum Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncV3	Treatment:vehicle	Day of Serum Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncV4	Treatment:vehicle	Day of Serum Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncV5	Treatment:vehicle	Day of Serum Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood was collected via cardiac puncture at the time of tissue harvest. For
CO:COLLECTION_SUMMARY            	separating serum from the blood cells, the samples were allowed to clot at room
CO:COLLECTION_SUMMARY            	temperature for 20-30 minutes, followed by centrifugation for 10 min at 1000 x
CO:COLLECTION_SUMMARY            	g, and storage of the separated serum at -80°C.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	Neonatal rats were treated with vehicle (sesame oil) or bisphenol A (BPA; 50
TR:TREATMENT_SUMMARY             	µg/kg dissolved in sesame oil) orally via pipette tip on post-natal days 1, 3,
TR:TREATMENT_SUMMARY             	and 5. Littermates were randomly assigned to the treatment groups. BPA was
TR:TREATMENT_SUMMARY             	obtained from the National Institute of Environmental Health Sciences (NIEHS).
TR:TREATMENT_SUMMARY             	The dose and route of administration recapitulates human exposure to BPA. Tissue
TR:TREATMENT_SUMMARY             	was harvested on postnatal day 70.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids were extracted using a modified Bligh-Dyer method. Fifty µL of serum and
SP:SAMPLEPREP_SUMMARY            	25 mg of crushed liver was used for the extraction. The extraction was carried
SP:SAMPLEPREP_SUMMARY            	out using 2:2:2 volume ratio of water/methanol/dichloromethane at room
SP:SAMPLEPREP_SUMMARY            	temperature after spiking internal standards 17:0 LPC, 17:0 PC, 17:0 PE, 17:0
SP:SAMPLEPREP_SUMMARY            	PG, 17:0 ceramide, 17:0 SM, 17:0PS, 17:0PA, 17:0 TAG, 17:0 MAG, 16:0/18:1 DAG,
SP:SAMPLEPREP_SUMMARY            	17:0 CE. The organic layer was collected and completely dried under nitrogen.
SP:SAMPLEPREP_SUMMARY            	Before MS analysis, the dried extract was resuspended in 100 μL of Buffer B
SP:SAMPLEPREP_SUMMARY            	(10:5:85 Acetonitrile/water/Isopropyl alcohol) containing 10 mM NH4OAc and
SP:SAMPLEPREP_SUMMARY            	subjected to LC/MS. The lipidome was separated using reverse-phase
SP:SAMPLEPREP_SUMMARY            	chromatography.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera-x2
CH:COLUMN_NAME                   	1.8 µm particle 50 × 2.1 mm
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5600 TripleTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	For data acquisition through LC/MS analysis, we used a Shimadzu CTO-20A Nexera
MS:MS_COMMENTS                   	X2 UHPLC system equipped with a degasser, binary pump, thermostatted auto
MS:MS_COMMENTS                   	sampler, and a column oven for chromatographic separation. The column heater
MS:MS_COMMENTS                   	temperature was set at 55°C. For lipid separation, the 5 uL of the lipid
MS:MS_COMMENTS                   	extract was injected into a 1.8 μm particle 50 × 2.1 mm Acquity HSS UPLC T3
MS:MS_COMMENTS                   	column (Waters, Milford, MA) which heats to 55°C. Acetonitrile/water (40:60,
MS:MS_COMMENTS                   	v/v) with 10 mM ammonium acetate was solvent A and
MS:MS_COMMENTS                   	acetonitrile/water/isopropanol (10:5:85 v/v) with 10 mM ammonium acetate was
MS:MS_COMMENTS                   	solvent B. For chromatographic elution we used a linear gradient over a 20 min
MS:MS_COMMENTS                   	total run time, with 60% solvent A and 40% solvent B gradient in the first 10
MS:MS_COMMENTS                   	minutes, then the gradient was ramped in a linear fashion to 100% solvent B
MS:MS_COMMENTS                   	which was maintained for 7 minutes. After that the system was switched back to
MS:MS_COMMENTS                   	60% solvent B and 40% solvent A for 3 minutes. The flow rate used for these
MS:MS_COMMENTS                   	experiments was 0.4 mL/min and the injection volume was 5μL. The column was
MS:MS_COMMENTS                   	equilibrated for 3 min before the next injection and run at a flow rate of 0.4
MS:MS_COMMENTS                   	mL/min for a total run time of 20 min. The data acquisition of each sample was
MS:MS_COMMENTS                   	performed in both positive and negative ionization modes using a TripleTOF 5600
MS:MS_COMMENTS                   	equipped with a Turbo VTM ion source (AB Sciex, Concord, Canada). The column
MS:MS_COMMENTS                   	effluent was directed to the electrospray ionization source. The voltage of
MS:MS_COMMENTS                   	source was set to 5500 V for positive ionization and 4500 V for negative
MS:MS_COMMENTS                   	ionization mode, the declustering potential was set to 60 V, and the source
MS:MS_COMMENTS                   	temperature to 450oC for both modes. The curtain gas flow, nebulizer, and heater
MS:MS_COMMENTS                   	gas were set to 30, 40, and 45 units, respectively. The instrument performed one
MS:MS_COMMENTS                   	TOF MS survey scan (150 ms) and 15 MS/MS scans with a total duty cycle time of
MS:MS_COMMENTS                   	2.4 s. The mass range in both modes was 50-1200 m/z. We controlled the
MS:MS_COMMENTS                   	acquisition of MS/MS spectra by data-dependent acquisition (DDA) function of the
MS:MS_COMMENTS                   	Analyst TF software (AB Sciex, Concord, Canada) with the following parameters:
MS:MS_COMMENTS                   	dynamic background subtraction, charge monitoring to exclude multiply charged
MS:MS_COMMENTS                   	ions and isotopes, and dynamic exclusion of former target ions for 9 s. Rolling
MS:MS_COMMENTS                   	collision energy spread was set whereby the software calculated the collision
MS:MS_COMMENTS                   	energy value to be applied as a function of m/z. Mass accuracy was maintained by
MS:MS_COMMENTS                   	the use of an automated calibrant delivery system interfaced to the second inlet
MS:MS_COMMENTS                   	of the DuoSpray source.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak intensity
MS_METABOLITE_DATA_START
Samples	ncB1	ncB2	ncB3	ncB4	ncB5	ncV1	ncV2	ncV3	ncV4	ncV5
Factors	Treatment:BPA	Treatment:BPA	Treatment:BPA	Treatment:BPA	Treatment:BPA	Treatment:vehicle	Treatment:vehicle	Treatment:vehicle	Treatment:vehicle	Treatment:vehicle
PS 38:4; [M-H]-; GPSer(18:0/20:4(5E,8E,11E,14E))	673	655	352	615	864	133	1194	373	506	778
PE 36:0; [M-H]-; GPEtn(17:0/19:0)	8492	9491	7589	7737	8836	1818	1824	9697	8528	8327
PE 40:6; [M-H]-; GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	12108	12403	10281	12089	16189	5836	5605	9880	10964	8993
PE 38:6; [M-H]-; GPEtn(18:2(2E,4E)/20:4(5E,8E,11E,14E))	63720	49049	56723	68394	79339	86958	45789	84512	82077	69578
PS 40:6; [M-H]-; GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	199	409	88	226	436	395	198	194	155	186
PE 25:0; [M-H]-; GPEtn(7:0/18:0)	538	148	253	69	123	899	148	201	541	121
PE 21:0; [M-H]-; GPEtn(5:0/16:0)	370	252	224	243	421	515	151	199	188	204
PG 36:0; [M-H]-; GPGro(17:0/19:0)	20324	20494	18488	23911	28638	12537	11173	24974	21800	20180
PE 40:7; [M-H]-; GPEtn(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	3291	3910	4220	4142	4865	2611	2191	4083	3730	4249
PE 40:4; [M-H]-; GPEtn(20:0/20:4(5E,8E,11E,14E))	1283	1345	614	1833	1131	1145	1565	566	535	1326
CL 70:5; [M-2H](2-); CL(18:1/16:0/18:2/18:2)	31301	29485	30065	35335	38090	21256	14009	28991	36227	28121
PE 23:0; [M-H]-; GPEtn(7:0/16:0)	580	341	457	323	608	1064	513	458	705	391
PE 38:6; [M-H]-; GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	65881	50087	58455	66300	85823	78538	38703	87704	83522	69632
CL 70:5; [M-2H](2-); CL(18:1/16:1/18:1/18:2)	3699	3700	2943	5825	6708	4402	4714	4685	3403	5976
PE 40:2; [M-H]-; GPEtn(18:0/22:2(13Z,16Z))	48	47	55	65	46	82	81	13	96	81
PE 38:5; [M-H]-; GPEtn(18:0/20:5(5Z,8Z,11Z,14Z,17Z))	47561	39163	37552	41184	38692	24827	16164	38308	45685	44164
PE 38:2; [M-H]-; GPEtn(18:2(2E,4E)/20:0)	861	663	1685	713	892	1633	1557	1011	773	1856
PE 33:0; [M-H]-; GPEtn(16:0/17:0)	1160	2778	1033	1889	2574	697	658	2845	1799	2009
MGDG 34:0; [M-H]-; MGDG(16:0/18:0)	171	21	29	18	225	282	8	220	8	193
PE 40:2; [M-H]-; GPEtn(18:1(11E)/22:1(13Z))	479	237	550	284	330	668	2192	539	436	474
PE 42:10; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1376	687	1727	664	1187	1828	977	334	1672	1382
PE 36:0; [M-H]-; GPEtn(16:0/20:0)	6	86	11	40	129	13	71	118	33	7
PE 38:2; [M-H]-; GPEtn(18:1(11E)/20:1(11E))	1253	966	984	143	927	1595	1492	2000	665	1954
PS 38:5; [M-H]-; GPSer(18:1(11E)/20:4(5E,8E,11E,14E))	164	142	84	105	242	118	284	239	230	214
CL 72:6; [M-2H](2-); CL(18:1/18:2/18:2/18:1)	170	67	178	151	227	147	173	38	98	160
PC 40:6; [M-CH3]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1652	1022	1598	966	1663	2502	1103	1512	790	897
PE 24:0; [M-H]-; GPEtn(6:0/18:0)	1468	948	780	1324	807	846	660	674	1210	521
PE 23:0; [M-H]-; GPEtn(5:0/18:0)	390	402	168	211	148	345	423	144	197	221
PC 38:6; [M-CH3]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	79	208	82	67	120	258	195	58	250	160
PE 36:5; [M-H]-; GPEtn(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	6506	5785	6166	6765	7352	2153	1639	7563	4139	6998
PE 40:7; [M-H]-; GPEtn(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E))	3031	2190	2173	4030	2902	10322	8960	3204	7131	5264
PE 34:2; [M-H]-; GPEtn(16:1(7Z)/18:1(11E))	23198	19099	24672	27207	29725	56358	45769	28458	27971	37954
PA 40:7; [M-H]-; GPA(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1110	1389	2067	2314	3613	516	520	1258	907	1877
PA 34:0; [M-H]-; GPA(17:0/17:0)	5468	3234	3114	6179	3965	4258	8158	11049	2126	2119
PI 36:2; [M-H]-; GPIns(18:0/18:2(2E,4E))	15120	16609	15924	18864	32740	8016	6200	18581	12087	16389
PG 38:6; [M-H]-; GPGro(18:2(2E,4E)/20:4(5E,8E,11E,14E))	53	94	121	95	161	47	76	82	86	62
CL 74:2; [M-2H](2-); CL(18:0/18:1/18:0/20:1)	7922	5621	5646	8888	14682	3782	4715	5323	4738	8206
PG 33:0; [M-H]-; GPGro(17:0/16:0)	6373	5671	6378	6725	8418	2858	1569	7482	4775	6607
PC 34:2; [M-Ac-H]-; GPCho(16:0/18:2(2E,4E))	4568	1804	6230	6771	8390	5326	4424	5160	5075	5957
PE 42:6; [M-H]-; GPEtn(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	363	311	181	354	388	605	1070	318	517	739
PE 32:1; [M-H]-; GPEtn(16:0/16:1(7Z))	2815	2577	2390	3804	10369	2461	748	1276	3611	4754
PE 22:0; [M-H]-; GPEtn(4:0/18:0)	87	83	176	65	172	104	47	139	124	126
PE 38:5; [M-H]-; GPEtn(18:1(11E)/20:4(5E,8E,11E,14E))	105	397	190	795	516	382	344	409	498	404
PG 38:5; [M-H]-; GPGro(18:1(11E)/20:4(5E,8E,11E,14E))	81	77	36	21	79	91	88	78	100	184
PC 36:4; [M-Ac-H]-; GPCho(16:0/20:4(5E,8E,11E,14E))	232463	272562	276412	360767	238525	190677	136342	330672	472459	356641
PG 32:1; [M-H]-; GPGro(16:0/16:1(7Z))	277	159	383	456	309	101	83	262	346	143
PC 34:3; [M-Ac-H]-; GPCho(16:1(7Z)/18:2(2E,4E))	3314	2082	4160	4890	3020	2579	1605	3497	4278	3068
PC 38:4; [M-CH3]-; GPCho(18:0/20:4(5E,8E,11E,14E))	14422	13825	13229	18138	14425	13078	8700	20948	37393	19573
PE 42:3; [M-H]-; GPEtn(18:2(2E,4E)/24:1(15Z))	805	538	684	709	733	413	424	569	667	443
PE 42:7; [M-H]-; GPEtn(20:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1197	361	1228	444	2347	1160	402	1305	1136	1480
PA 34:2; [M-H]-; GPA(16:0/18:2(2E,4E))	1074	1120	1242	545	2646	298	488	316	607	764
PE 42:2; [M-H]-; GPEtn(18:1(11E)/24:1(15Z))	1202	1165	2304	834	1868	235	336	734	459	1524
CL 72:7; [M-2H](2-); CL(16:0/20:4/18:1/18:2)	386	810	432	428	478	970	612	188	220	523
PC 35:3; [M-Ac-H]-; GPCho(17:1(9Z)/18:2(2E,4E))	3801	6746	5999	5399	5899	14588	11138	6327	9132	6295
PC 38:6; [M-CH3]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E))	16595	16817	13824	21821	33062	30341	18697	16648	24465	22626
PE 40:6; [M-H]-; GPEtn(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))	41104	24561	25045	40814	57742	91673	62619	40370	56061	50102
PC 21:0; [M-Ac-H]-; GPCho(5:0/16:0)	3275	1367	2052	2358	1299	1295	591	1191	2465	4173
PC 32:1; [M-CH3]-; GPCho(16:0/16:1(7Z))	91	76	77	71	68	150	101	75	43	198
PG 38:4; [M-H]-; GPGro(18:1(11E)/20:3(5Z,8Z,11Z))	193	228	163	183	295	143	213	308	108	386
PC 25:0; [M+HCOO]-; GPCho(2:0/23:0)	5720	5537	6305	6425	12631	36773	49777	6841	13136	10073
PG 19:0; [M-H]-; GPGro(2:0/17:0)	491	423	450	337	327	465	189	297	477	812
PI 38:3; [M-H]-; GPIns(18:0/20:3(5Z,8Z,11Z))	1815	2200	469	2274	2715	1192	308	1555	2144	2250
PG 40:7; [M-H]-; GPGro(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	95	66	90	100	177	87	56	86	48	79
PC 38:0; [M-Ac-H]-; GPCho(16:0/22:0)	260	223	88	327	306	184	171	237	265	318
PI 40:5; [M-H]-; GPIns(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	12444	12223	12139	13188	19526	7333	4696	12946	15043	11098
PE 42:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:1(13Z))	1745	1742	1721	725	532	5618	11334	3189	2558	2572
CL 74:7; [M-2H](2-); CL(18:2/20:1/20:4/16:0)	208	84	116	75	373	101	189	123	124	129
PE 38:4; [M-H]-; GPEtn(18:0/20:4(5E,8E,11E,14E))	2881	3738	3220	4724	4196	2540	3497	3782	5219	3983
CL 70:4; [M-2H](2-); CL(16:0/18:1/18:1/18:2)	246	377	1186	441	657	371	781	301	109	481
PE 42:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:0)	511	787	361	503	478	724	231	656	465	504
PE 42:7; [M-H]-; GPEtn(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1552	1824	906	827	1568	2477	5714	1509	526	1583
PC 36:2; [M-Ac-H]-; GPCho(18:0/18:2(2E,4E))	11391	8788	8323	10393	20785	8237	8521	7649	11867	10783
PC 32:1; [M-CH3]-; GPCho(16:1(7Z)/16:0)	4769	3334	4596	5720	6968	3379	3058	6094	5697	7383
CL 74:7; [M-2H](2-); CL(18:1/18:0/18:2/20:4)	212	181	131	113	169	161	152	133	222	173
plasmenyl-PE 36:5; [M-H]-; PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	2044	4346	5432	4170	11631	2488	1159	3972	2963	3634
PE 36:4; [M-H]-; GPEtn(16:0/20:4(5E,8E,11E,14E))	36984	29996	39701	50778	38204	25773	14227	35077	47158	42361
PE 40:4; [M-H]-; GPEtn(16:0/24:4(5Z,8Z,11Z,14Z))	151	45	35	17	74	68	49	63	149	53
PI 38:4; [M-H]-; GPIns(18:0/20:4(5E,8E,11E,14E))	218048	195456	187222	252275	331337	100274	63795	206560	253296	198038
PE 37:1; [M-H]-; GPEtn(18:1(11E)/19:0)	116	189	101	482	103	327	165	108	663	299
PC 23:0; [M-Ac-H]-; GPCho(5:0/18:0)	2425	1612	2439	2855	2176	663	675	1870	1296	1314
PE 30:0; [M-H]-; GPEtn(14:0/16:0)	431	370	197	137	193	175	78	236	187	208
PC 38:2; [M-CH3]-; GPCho(20:1(11E)/18:1(11E))	2006	971	929	1105	1612	993	809	1498	1441	1265
PC 34:2; [M+HCOO]-; GPCho(16:1(7Z)/18:1(11E))	420	509	559	852	406	893	439	350	722	403
PC 38:4; [M-Ac-H]-; GPCho(18:0/20:4(5E,8E,11E,14E))	4718	5158	4435	3000	7017	4863	4778	4229	10815	4142
CL 68:3; [M-2H](2-); CL(16:0/16:0/18:1/18:2)	5516	4692	5944	9471	8290	2595	911	3928	5607	4707
PE 33:2; [M-H]-; GPEtn(15:0/18:2(2E,4E))	1491	958	1109	385	965	891	420	975	1080	624
PC 34:1; [M-Ac-H]-; GPCho(16:0/18:1(11E))	182563	177128	163839	209854	490201	115276	72569	152183	197611	202112
PC 22:0; [M-Ac-H]-; GPCho(6:0/16:0)	1130	1336	513	629	745	382	637	635	530	512
PG 34:3; [M-H]-; GPGro(16:1(7Z)/18:2(2E,4E))	251	66	108	47	54	77	43	89	119	242
PE 37:5; [M-H]-; GPEtn(17:1(9Z)/20:4(5E,8E,11E,14E))	7669	8099	5865	7763	3512	32922	77767	5800	7265	5043
CL 68:1; [M-2H](2-); CL(16:0/16:0/18:0/18:1)	3144	2036	3238	2622	4916	466	170	1109	1535	1262
PC 39:3; [M-Ac-H]-; GPCho(19:0/20:3(5Z,8Z,11Z))	541	476	633	1664	994	859	824	806	733	572
PC 38:5; [M-CH3]-; GPCho(18:1(11E)/20:4(5E,8E,11E,14E))	10044	11432	9095	13826	10873	25983	37011	8689	11559	16758
PE 39:4; [M-H]-; GPEtn(19:0/20:4(5E,8E,11E,14E))	3226	964	995	892	1669	960	909	922	904	524
PE 40:5; [M-H]-; GPEtn(20:1(11E)/20:4(5E,8E,11E,14E))	6881	6160	5721	8530	10711	11713	22900	6030	11027	10122
PE 40:1; [M-H]-; GPEtn(18:0/22:1(13Z))	563	509	460	1042	837	105	422	699	349	466
plasmenyl-PE 42:6; [M-H]-; PE(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	15253	16997	18534	17105	33821	9588	6675	12983	14366	13820
PE 36:3; [M-H]-; GPEtn(18:1(11E)/18:2(2E,4E))	2008	1615	1651	936	1125	1259	1193	1007	1163	2500
plasmenyl-PE 38:6; [M-H]-; PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	14540	12229	15520	13485	27262	7372	6509	11268	12393	9156
PS 40:7; [M-H]-; GPSer(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	30	79	108	65	47	132	180	59	56	123
PC 22:0; [M+HCOO]-; GPCho(6:0/16:0)	363	182	153	197	379	158	343	321	37	155
PE 38:5; [M-H]-; GPEtn(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	45998	40320	43183	46300	37839	33442	23946	43702	58581	46498
PE 40:5; [M-H]-; GPEtn(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	9932	12710	7620	11497	10932	27073	38077	6203	13559	18268
CL 68:4; [M-2H](2-); CL(16:0/18:2/16:1/18:1)	6386	8323	9236	6581	11436	8894	7735	9133	6631	9505
PC 26:0; [M-CH3]-; GPCho(16:0/10:0)	819	397	392	491	202	283	367	401	632	459
PE 34:3; [M-H]-; GPEtn(16:1(7Z)/18:2(2E,4E))	2082	2505	3406	3196	4521	6550	5127	3430	3159	3309
PE 36:5; [M-H]-; GPEtn(16:1(7Z)/20:4(5E,8E,11E,14E))	18535	15251	20618	27380	91754	19705	12173	28279	22088	36501
PE 38:4; [M-H]-; GPEtn(18:1(11E)/20:3(5Z,8Z,11Z))	5618	3809	6452	5654	6630	4486	5043	6402	7613	7025
PC 27:0; [M+HCOO]-; GPCho(2:0/25:0)	99	51	103	194	101	63	91	85	43	30
PE 35:1; [M-H]-; GPEtn(17:0/18:1(11E))	919	522	1029	588	622	935	1007	695	363	827
PG 36:2; [M-H]-; GPGro(18:0/18:2(2E,4E))	838	492	335	802	1654	474	391	516	658	400
PC 38:6; [M+HCOO]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	9874	11418	7261	11485	7694	25459	22673	9346	17813	15397
PC 40:3; [M-Ac-H]-; GPCho(20:0/20:3(5Z,8Z,11Z))	4764	3375	4718	4642	10966	1263	1332	4685	4092	2801
CL 72:6; [M-2H](2-); CL(18:1/18:2/18:1/18:2)	16821	7540	7551	8606	21992	6687	3722	12127	7888	9033
PC 42:10; [M-Ac-H]-; GPCho(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	2145	3958	3554	6116	4853	6676	8152	4983	5008	5469
CL 72:2; [M-2H](2-); CL(16:0/20:1/18:0/18:1)	1078	926	1135	1569	2840	690	543	853	657	1409
CL 72:7; [M-2H](2-); CL(16:0/18:1/18:2/20:4)	834	105	722	213	676	1586	366	609	211	1042
PC 35:4; [M+HCOO]-; GPCho(15:0/20:4(5E,8E,11E,14E))	8308	12534	6866	14854	6738	16641	11837	14396	13225	13004
PE 38:7; [M-H]-; GPEtn(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	334	441	425	359	1082	278	169	488	168	538
PC 40:7; [M-CH3]-; GPCho(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1148	1855	2895	1987	2518	1118	1182	1420	1503	981
PC 36:4; [M-Ac-H]-; GPCho(18:2(2E,4E)/18:2(2E,4E))	100947	131664	117874	199627	84369	336936	331585	137403	246484	242500
PG 36:2; [M-H]-; GPGro(16:0/20:2(11Z,14Z))	2954	1660	2034	5061	1375	6452	6954	2479	2916	5234
PE 35:3; [M-H]-; GPEtn(17:1(9Z)/18:2(2E,4E))	606	792	667	656	77	690	590	491	796	310
PA 38:4; [M-H]-; GPA(18:0/20:4(5E,8E,11E,14E))	2393	2991	5317	2339	891	8862	22291	2168	2433	4096
PC 30:0; [M-Ac-H]-; GPCho(14:0/16:0)	15957	9672	12614	6256	13146	6158	3561	14145	5348	10778
PC 36:2; [M-CH3]-; GPCho(18:0/18:2(2E,4E))	38721	26785	31742	37010	64188	20930	13533	36826	41442	35498
PC 36:5; [M-Ac-H]-; GPCho(16:1(7Z)/20:4(5E,8E,11E,14E))	996	1028	1212	3776	4452	1709	781	1276	3293	1357
DGDG 34:1; [M-H]-; DGDG(16:0/18:1(11E))	117	79	92	147	127	119	115	96	117	136
PE 35:4; [M-H]-; GPEtn(15:0/20:4(5E,8E,11E,14E))	816	1202	909	2180	996	795	769	2095	1395	916
PC 34:1; [M+HCOO]-; GPCho(16:0/18:1(11E))	7938	7273	9375	9089	10852	15160	15045	7526	7132	12142
PG 40:6; [M-H]-; GPGro(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))	655	774	603	1105	2973	3188	5794	1046	755	957
DGDG 36:3; [M-H]-; DGDG(18:1(11E)/18:2(2E,4E))	216	143	58	105	114	90	90	133	149	207
MGDG 39:6; [M-H]-; MGDG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1523	1082	3697	1028	1348	1378	902	1080	1582	795
PS 40:4; [M-H]-; GPSer(18:0/22:4(7Z,10Z,13Z,16Z))	737	448	629	556	332	2698	491	325	382	1111
PC 38:6; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E))	57177	75232	59047	83091	57510	215661	197859	60762	109100	117446
PE 37:4; [M-H]-; GPEtn(17:0/20:4(5E,8E,11E,14E))	4964	3631	3893	4770	2785	14786	25120	6050	6096	5669
PC 36:0; [M-Ac-H]-; GPCho(16:0/20:0)	568	334	280	491	463	550	1213	296	172	964
PE 44:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:1(15Z))	646	1043	694	905	2275	3719	5766	629	696	1809
CL 70:5; [M-2H](2-); CL(18:2/18:0/18:3/16:0)	4129	3606	3483	7168	6703	3725	3324	4378	4747	4906
PC 24:0; [M-Ac-H]-; GPCho(6:0/18:0)	243	153	244	504	186	513	293	161	261	195
PE 36:5; [M-H]-; GPEtn(18:2(2E,4E)/18:3(6Z,9Z,12Z))	9003	8570	11608	13213	31827	39834	31085	13059	14823	24003
PE 39:3; [M-H]-; GPEtn(19:0/20:3(5Z,8Z,11Z))	405	159	770	227	183	828	1224	554	489	283
PC 38:3; [M-CH3]-; GPCho(18:0/20:3(5Z,8Z,11Z))	5435	3037	3518	5479	7136	6018	2976	3478	6101	3959
PC 35:2; [M-CH3]-; GPCho(17:0/18:2(2E,4E))	1498	2441	1776	1943	2346	1202	1134	1610	1976	1544
PC 36:4; [M-CH3]-; GPCho(16:0/20:4(5E,8E,11E,14E))	2659	3237	3016	2893	4531	2857	2020	3617	5138	3355
MGDG 40:6; [M-H]-; MGDG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	106	199	46	113	102	152	180	124	75	347
PC 32:0; [M-Ac-H]-; GPCho(15:0/17:0)	1652	505	2072	2986	2175	1446	828	611	1122	856
PE 41:4; [M-H]-; GPEtn(19:0/22:4(7Z,10Z,13Z,16Z))	927	372	450	753	409	1914	2304	671	488	1448
PC 40:3; [M-Ac-H]-; GPCho(18:1(11E)/22:2(13Z,16Z))	1166	1004	2349	1538	2211	3883	4352	1549	1622	1789
PC 38:1; [M-CH3]-; GPCho(18:0/20:1(11E))	2155	596	1052	748	1860	1047	489	701	880	1231
PE 35:2; [M-H]-; GPEtn(17:0/18:2(2E,4E))	4625	1699	3158	4794	6576	2491	394	4292	3424	4092
PC 35:1; [M-Ac-H]-; GPCho(17:0/18:1(11E))	4938	3354	5611	7632	10061	9596	6062	4842	5097	6014
PI 40:6; [M-H]-; GPIns(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	7107	7658	5943	8696	12946	8305	2398	7890	7456	8333
PE 41:6; [M-H]-; GPEtn(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	9626	10413	9173	607	21552	16242	15254	8774	13528	14750
PE 42:1; [M-H]-; GPEtn(18:1(11E)/24:0)	453	313	211	404	376	203	101	300	363	165
CL 70:4; [M-2H](2-); CL(16:0/18:1/18:2/18:1)	733	677	267	505	768	352	527	455	388	235
PC 40:8; [M-Ac-H]-; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	7989	19599	7534	20600	14793	14891	13427	16431	14765	12607
PC 33:1; [M-Ac-H]-; GPCho(16:0/17:1(9Z))	9906	8627	14069	13817	12691	14820	19580	8840	11571	13722
plasmenyl-PE 40:6; [M-H]-; PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	40929	39506	38003	44075	61395	41838	31208	29512	36164	40669
PC 34:0; [M+HCOO]-; GPCho(16:0/18:0)	2722	2677	3778	4323	2659	1062	1746	3296	3624	2129
PC 33:0; [M-Ac-H]-; GPCho(17:0/16:0)	10844	11039	11204	9810	12476	4299	4414	10396	12630	11750
PG 34:2; [M-H]-; GPGro(16:1(7Z)/18:1(11E))	248	108	180	125	165	283	362	293	141	291
PC 40:7; [M-Ac-H]-; GPCho(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E))	15584	20517	13989	20366	13429	11099	3641	14594	25769	29286
PC 37:4; [M-Ac-H]-; GPCho(17:0/20:4(5E,8E,11E,14E))	10236	13792	9682	14705	9072	22885	18559	12971	33841	18280
PC 23:0; [M-Ac-H]-; GPCho(7:0/16:0)	374	132	342	636	335	349	152	165	494	437
PA 38:2; [M-H]-; GPA(18:1(11E)/20:1(11E))	10172	8157	10975	12276	16913	4486	3051	9974	13773	8252
PS 36:4; [M-H]-; GPSer(16:0/20:4(5E,8E,11E,14E))	47	296	229	163	134	117	177	40	39	17
PC 34:3; [M-Ac-H]-; GPCho(16:0/18:3(6Z,9Z,12Z))	619	569	351	1215	1018	499	826	460	1005	441
PC 38:3; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:1(11E))	4968	3193	4456	3896	8920	4054	2638	5225	5789	3903
CL 78:11; [M-2H](2-); CL(16:0/18:0/22:5/22:6)	189	349	417	183	239	225	850	343	378	579
PC 42:6; [M-Ac-H]-; GPCho(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	383	496	290	739	1558	164	211	380	820	461
PE 33:1; [M-H]-; GPEtn(16:0/17:1(9Z))	350	540	463	284	1370	252	184	355	252	443
CL 66:3; [M-2H](2-); CL(16:0/16:0/16:1/18:2)	287	247	304	288	467	438	309	248	707	132
PC 36:2; [M+HCOO]-; GPCho(16:0/20:2(11Z,14Z))	221	167	267	449	536	217	186	513	268	370
PC 40:1; [M-Ac-H]-; GPCho(16:0/24:1(15Z))	961	1425	2059	1523	3867	286	318	1803	1169	1115
PE 40:3; [M-H]-; GPEtn(18:2(2E,4E)/22:1(13Z))	649	623	154	242	446	575	277	1004	1039	746
CL 72:2; [M-2H](2-); CL(18:1/18:0/20:1/16:0)	4989	3886	5218	4454	11951	3054	1188	4503	5415	3007
PE 35:0; [M-H]-; GPEtn(17:0/18:0)	377	333	619	346	669	484	304	551	243	846
PC 38:4; [M+HCOO]-; GPCho(16:0/22:4(7Z,10Z,13Z,16Z))	88	103	75	95	66	226	195	154	70	111
PE 37:2; [M-H]-; GPEtn(18:2(2E,4E)/19:0)	338	475	604	705	554	821	916	623	423	542
plasmenyl-PE 40:4; [M-H]-; PE(P-20:0/20:4(5E,8E,11E,14E))	15716	20196	19287	19675	26421	9001	4273	14391	13972	14702
PC 35:2; [M-Ac-H]-; GPCho(17:0/18:2(2E,4E))	4785	7600	5067	7148	5355	28865	38439	5186	9407	6891
PE 34:1; [M-H]-; GPEtn(16:0/18:1(11E))	22761	19733	20481	25223	50772	13684	9987	19147	22271	26470
plasmenyl-PE 38:4; [M-H]-; PE(P-18:0/20:4(5E,8E,11E,14E))	649	645	489	567	384	656	949	697	1147	1014
PA 34:0; [M-H]-; GPA(16:0/18:0)	222	358	303	342	157	311	188	173	692	390
PC 36:3; [M-CH3]-; GPCho(16:0/20:3(5Z,8Z,11Z))	16669	16081	15950	20188	21614	14021	8603	19724	21839	20695
PE 34:2; [M-H]-; GPEtn(16:0/18:2(2E,4E))	46368	28584	44216	51491	58102	36305	23238	45347	43930	52301
PC 38:7; [M-Ac-H]-; GPCho(18:3(6Z,9Z,12Z)/20:4(5E,8E,11E,14E))	11015	13198	10364	18242	17023	15480	12329	11050	10816	17942
CL 78:12; [M-2H](2-); CL(18:0/20:4/18:2/22:6)	485	468	740	692	467	3920	3145	1172	1574	1510
CL 72:8; [M-2H](2-); CL(18:2/18:2/18:2/18:2)	127	87	54	146	162	149	111	153	70	107
PE 40:4; [M-H]-; GPEtn(18:0/22:4(7Z,10Z,13Z,16Z))	14636	13149	13020	19015	14190	14878	10042	21810	40127	17979
PC 30:0; [M+HCOO]-; GPCho(14:0/16:0)	289955	318931	320378	322853	241025	639905	706327	301568	345031	405687
PC 32:0; [M+HCOO]-; GPCho(16:0/16:0)	3025	3464	3234	3995	2710	6058	8506	2768	3501	3971
PE 36:2; [M-H]-; GPEtn(18:0/18:2(2E,4E))	88363	47814	63993	76640	138308	36278	26510	74644	66332	90758
PC 40:2; [M-Ac-H]-; GPCho(18:1(11E)/22:1(13Z))	2816	2636	1869	2742	3662	185	551	1824	1059	1582
PC 40:6; [M+HCOO]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	2324	1605	1946	2340	2373	5758	6913	1478	3927	2527
PC 30:1; [M-Ac-H]-; GPCho(14:0/16:1(7Z))	1337	2740	1018	1269	4374	874	470	2161	1128	3461
PC 37:3; [M-Ac-H]-; GPCho(17:0/20:3(5Z,8Z,11Z))	3316	5688	1837	6459	4342	6023	4309	5619	9225	5194
PC 37:1; [M-Ac-H]-; GPCho(18:1(11E)/19:0)	1294	938	503	963	412	1290	821	1163	1550	664
CL 78:11; [M-2H](2-); CL(18:0/18:1/20:4/22:6)	597	243	340	518	367	224	115	442	291	2276
PC 28:2; [M+HCOO]-; GPCho(2:0/26:2(5E,9Z))	319	187	404	199	507	184	273	200	334	200
PA 36:4; [M-H]-; GPA(16:0/20:4(5E,8E,11E,14E))	553	372	644	421	706	461	1057	1433	630	498
PG 34:0; [M-H]-; GPGro(17:0/17:0)	1839332	1830216	1733332	1882787	1757622	907833	656070	1920535	1615608	1680075
PC 40:6; [M-Ac-H]-; GPCho(20:2(11Z,14Z)/20:4(5E,8E,11E,14E))	29527	27346	27231	28556	37576	70085	61785	26166	59687	44783
PC 34:2; [M-Ac-H]-; GPCho(16:1(7Z)/18:1(11E))	20070	20843	23783	29303	41359	18954	15902	26335	17439	19413
PC 36:3; [M-CH3]-; GPCho(18:2(2E,4E)/18:1(11E))	535	1116	843	1037	690	1565	3583	199	718	1107
CL 72:3; [M-2H](2-); CL(18:1/16:0/18:1/20:1)	149	137	84	127	42	33	31	59	94	73
PC 32:3; [M-Ac-H]-; GPCho(14:1(9Z)/18:2(2E,4E))	115	128	92	131	178	176	90	43	104	103
PE 44:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:0)	209	128	280	103	154	142	177	126	148	183
CL 68:2; [M-2H](2-); CL(16:0/16:0/18:1/18:1)	7918	9964	4914	6411	5381	9257	19039	8116	14044	14261
PC 34:3; [M-CH3]-; GPCho(16:1(7Z)/18:2(2E,4E))	4056	3920	4152	3416	4701	2389	1214	4670	2549	3896
PC 36:4; [M+HCOO]-; GPCho(18:2(2E,4E)/18:2(2E,4E))	24604	28653	26921	30233	35184	18579	13558	33012	42499	34416
PC 36:1; [M-CH3]-; GPCho(18:0/18:1(11E))	5081	3273	2678	3450	11136	3540	1614	4008	5869	5399
PE 38:1; [M-H]-; GPEtn(18:0/20:1(11E))	116	100	24	35	37	66	41	48	35	61
PC 38:2; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:0)	129528	153054	175722	184198	233053	93078	65875	142812	163241	186578
CL 72:5; [M-2H](2-); CL(18:0/18:2/18:1/18:2)	3542	2750	2049	1989	2088	9302	13898	2063	3850	2332
PC 38:6; [M+HCOO]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E))	17949	19360	16871	20782	22894	12131	6897	17237	26157	19925
PC 23:1; [M-Ac-H]-; GPCho(5:0/18:1(11E))	4468	1389	929	1343	1600	1203	840	820	494	1199
PG 38:3; [M-H]-; GPGro(18:1(11E)/20:2(11Z,14Z))	290	887	402	290	183	953	1585	177	780	974
PG 38:5; [M-H]-; GPGro(18:2(2E,4E)/20:3(5Z,8Z,11Z))	62	57	146	140	173	278	248	123	363	228
PC 20:0; [M-Ac-H]-; GPCho(4:0/16:0)	350	246	271	754	344	235	190	202	353	533
CL 68:2; [M-2H](2-); CL(18:1/16:0/18:1/16:0)	13638	16660	11948	15222	10164	10585	14054	7944	16046	16160
PC 34:0 (internal standard)	118241	113503	111781	118937	122831	106475	79540	113010	127699	141175
PE 34:0 (internal standard)	661839	689911	772614	775860	826569	484449	320316	764118	762875	825537
PG 34:0 (internal standard)	1617454	1641682	1543418	1684866	1389179	1247738	979716	1674607	1548477	1666121
PI 37:4 (internal standard)	1395	1731	1550	2426	694	943	852	1975	2159	1985
PS 34:0 (internal standard)	16513	13925	15879	18316	32244	15057	6719	22765	18336	15539
CE 17:0; (internal standard)	104835	72234	79830	85985	124517	33883	32755	77929	84723	82514
lysoPC 17:0; (internal standard)	40243	30558	54059	52296	54214	12751	6887	31772	34734	23135
MG 17:0; (internal standard)	3788	3596	2204	1368	5193	1782	1541	1846	2178	6986
SM 17:0 (internal standard)	1514	604	860	1622	1874	1054	446	717	1995	2125
PA 17:0 (internal standard)	1486	1430	1853	1670	622	1170	513	1598	1012	2135
TG 17:0 (internal standard)	46	74	39	103	77	88	79	59	8	54
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
PS 38:4; [M-H]-; GPSer(18:0/20:4(5E,8E,11E,14E))
PE 36:0; [M-H]-; GPEtn(17:0/19:0)
PE 40:6; [M-H]-; GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 38:6; [M-H]-; GPEtn(18:2(2E,4E)/20:4(5E,8E,11E,14E))
PS 40:6; [M-H]-; GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 25:0; [M-H]-; GPEtn(7:0/18:0)
PE 21:0; [M-H]-; GPEtn(5:0/16:0)
PG 36:0; [M-H]-; GPGro(17:0/19:0)
PE 40:7; [M-H]-; GPEtn(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 40:4; [M-H]-; GPEtn(20:0/20:4(5E,8E,11E,14E))
CL 70:5; [M-2H](2-); CL(18:1/16:0/18:2/18:2)
PE 23:0; [M-H]-; GPEtn(7:0/16:0)
PE 38:6; [M-H]-; GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
CL 70:5; [M-2H](2-); CL(18:1/16:1/18:1/18:2)
PE 40:2; [M-H]-; GPEtn(18:0/22:2(13Z,16Z))
PE 38:5; [M-H]-; GPEtn(18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE 38:2; [M-H]-; GPEtn(18:2(2E,4E)/20:0)
PE 33:0; [M-H]-; GPEtn(16:0/17:0)
MGDG 34:0; [M-H]-; MGDG(16:0/18:0)
PE 40:2; [M-H]-; GPEtn(18:1(11E)/22:1(13Z))
PE 42:10; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 36:0; [M-H]-; GPEtn(16:0/20:0)
PE 38:2; [M-H]-; GPEtn(18:1(11E)/20:1(11E))
PS 38:5; [M-H]-; GPSer(18:1(11E)/20:4(5E,8E,11E,14E))
CL 72:6; [M-2H](2-); CL(18:1/18:2/18:2/18:1)
PC 40:6; [M-CH3]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 24:0; [M-H]-; GPEtn(6:0/18:0)
PE 23:0; [M-H]-; GPEtn(5:0/18:0)
PC 38:6; [M-CH3]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 36:5; [M-H]-; GPEtn(16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE 40:7; [M-H]-; GPEtn(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E))
PE 34:2; [M-H]-; GPEtn(16:1(7Z)/18:1(11E))
PA 40:7; [M-H]-; GPA(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA 34:0; [M-H]-; GPA(17:0/17:0)
PI 36:2; [M-H]-; GPIns(18:0/18:2(2E,4E))
PG 38:6; [M-H]-; GPGro(18:2(2E,4E)/20:4(5E,8E,11E,14E))
CL 74:2; [M-2H](2-); CL(18:0/18:1/18:0/20:1)
PG 33:0; [M-H]-; GPGro(17:0/16:0)
PC 34:2; [M-Ac-H]-; GPCho(16:0/18:2(2E,4E))
PE 42:6; [M-H]-; GPEtn(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 32:1; [M-H]-; GPEtn(16:0/16:1(7Z))
PE 22:0; [M-H]-; GPEtn(4:0/18:0)
PE 38:5; [M-H]-; GPEtn(18:1(11E)/20:4(5E,8E,11E,14E))
PG 38:5; [M-H]-; GPGro(18:1(11E)/20:4(5E,8E,11E,14E))
PC 36:4; [M-Ac-H]-; GPCho(16:0/20:4(5E,8E,11E,14E))
PG 32:1; [M-H]-; GPGro(16:0/16:1(7Z))
PC 34:3; [M-Ac-H]-; GPCho(16:1(7Z)/18:2(2E,4E))
PC 38:4; [M-CH3]-; GPCho(18:0/20:4(5E,8E,11E,14E))
PE 42:3; [M-H]-; GPEtn(18:2(2E,4E)/24:1(15Z))
PE 42:7; [M-H]-; GPEtn(20:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA 34:2; [M-H]-; GPA(16:0/18:2(2E,4E))
PE 42:2; [M-H]-; GPEtn(18:1(11E)/24:1(15Z))
CL 72:7; [M-2H](2-); CL(16:0/20:4/18:1/18:2)
PC 35:3; [M-Ac-H]-; GPCho(17:1(9Z)/18:2(2E,4E))
PC 38:6; [M-CH3]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E))
PE 40:6; [M-H]-; GPEtn(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))
PC 21:0; [M-Ac-H]-; GPCho(5:0/16:0)
PC 32:1; [M-CH3]-; GPCho(16:0/16:1(7Z))
PG 38:4; [M-H]-; GPGro(18:1(11E)/20:3(5Z,8Z,11Z))
PC 25:0; [M+HCOO]-; GPCho(2:0/23:0)
PG 19:0; [M-H]-; GPGro(2:0/17:0)
PI 38:3; [M-H]-; GPIns(18:0/20:3(5Z,8Z,11Z))
PG 40:7; [M-H]-; GPGro(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 38:0; [M-Ac-H]-; GPCho(16:0/22:0)
PI 40:5; [M-H]-; GPIns(18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE 42:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:1(13Z))
CL 74:7; [M-2H](2-); CL(18:2/20:1/20:4/16:0)
PE 38:4; [M-H]-; GPEtn(18:0/20:4(5E,8E,11E,14E))
CL 70:4; [M-2H](2-); CL(16:0/18:1/18:1/18:2)
PE 42:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:0)
PE 42:7; [M-H]-; GPEtn(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 36:2; [M-Ac-H]-; GPCho(18:0/18:2(2E,4E))
PC 32:1; [M-CH3]-; GPCho(16:1(7Z)/16:0)
CL 74:7; [M-2H](2-); CL(18:1/18:0/18:2/20:4)
plasmenyl-PE 36:5; [M-H]-; PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE 36:4; [M-H]-; GPEtn(16:0/20:4(5E,8E,11E,14E))
PE 40:4; [M-H]-; GPEtn(16:0/24:4(5Z,8Z,11Z,14Z))
PI 38:4; [M-H]-; GPIns(18:0/20:4(5E,8E,11E,14E))
PE 37:1; [M-H]-; GPEtn(18:1(11E)/19:0)
PC 23:0; [M-Ac-H]-; GPCho(5:0/18:0)
PE 30:0; [M-H]-; GPEtn(14:0/16:0)
PC 38:2; [M-CH3]-; GPCho(20:1(11E)/18:1(11E))
PC 34:2; [M+HCOO]-; GPCho(16:1(7Z)/18:1(11E))
PC 38:4; [M-Ac-H]-; GPCho(18:0/20:4(5E,8E,11E,14E))
CL 68:3; [M-2H](2-); CL(16:0/16:0/18:1/18:2)
PE 33:2; [M-H]-; GPEtn(15:0/18:2(2E,4E))
PC 34:1; [M-Ac-H]-; GPCho(16:0/18:1(11E))
PC 22:0; [M-Ac-H]-; GPCho(6:0/16:0)
PG 34:3; [M-H]-; GPGro(16:1(7Z)/18:2(2E,4E))
PE 37:5; [M-H]-; GPEtn(17:1(9Z)/20:4(5E,8E,11E,14E))
CL 68:1; [M-2H](2-); CL(16:0/16:0/18:0/18:1)
PC 39:3; [M-Ac-H]-; GPCho(19:0/20:3(5Z,8Z,11Z))
PC 38:5; [M-CH3]-; GPCho(18:1(11E)/20:4(5E,8E,11E,14E))
PE 39:4; [M-H]-; GPEtn(19:0/20:4(5E,8E,11E,14E))
PE 40:5; [M-H]-; GPEtn(20:1(11E)/20:4(5E,8E,11E,14E))
PE 40:1; [M-H]-; GPEtn(18:0/22:1(13Z))
plasmenyl-PE 42:6; [M-H]-; PE(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 36:3; [M-H]-; GPEtn(18:1(11E)/18:2(2E,4E))
plasmenyl-PE 38:6; [M-H]-; PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 40:7; [M-H]-; GPSer(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 22:0; [M+HCOO]-; GPCho(6:0/16:0)
PE 38:5; [M-H]-; GPEtn(16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE 40:5; [M-H]-; GPEtn(18:0/22:5(4Z,7Z,10Z,13Z,16Z))
CL 68:4; [M-2H](2-); CL(16:0/18:2/16:1/18:1)
PC 26:0; [M-CH3]-; GPCho(16:0/10:0)
PE 34:3; [M-H]-; GPEtn(16:1(7Z)/18:2(2E,4E))
PE 36:5; [M-H]-; GPEtn(16:1(7Z)/20:4(5E,8E,11E,14E))
PE 38:4; [M-H]-; GPEtn(18:1(11E)/20:3(5Z,8Z,11Z))
PC 27:0; [M+HCOO]-; GPCho(2:0/25:0)
PE 35:1; [M-H]-; GPEtn(17:0/18:1(11E))
PG 36:2; [M-H]-; GPGro(18:0/18:2(2E,4E))
PC 38:6; [M+HCOO]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 40:3; [M-Ac-H]-; GPCho(20:0/20:3(5Z,8Z,11Z))
CL 72:6; [M-2H](2-); CL(18:1/18:2/18:1/18:2)
PC 42:10; [M-Ac-H]-; GPCho(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
CL 72:2; [M-2H](2-); CL(16:0/20:1/18:0/18:1)
CL 72:7; [M-2H](2-); CL(16:0/18:1/18:2/20:4)
PC 35:4; [M+HCOO]-; GPCho(15:0/20:4(5E,8E,11E,14E))
PE 38:7; [M-H]-; GPEtn(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 40:7; [M-CH3]-; GPCho(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 36:4; [M-Ac-H]-; GPCho(18:2(2E,4E)/18:2(2E,4E))
PG 36:2; [M-H]-; GPGro(16:0/20:2(11Z,14Z))
PE 35:3; [M-H]-; GPEtn(17:1(9Z)/18:2(2E,4E))
PA 38:4; [M-H]-; GPA(18:0/20:4(5E,8E,11E,14E))
PC 30:0; [M-Ac-H]-; GPCho(14:0/16:0)
PC 36:2; [M-CH3]-; GPCho(18:0/18:2(2E,4E))
PC 36:5; [M-Ac-H]-; GPCho(16:1(7Z)/20:4(5E,8E,11E,14E))
DGDG 34:1; [M-H]-; DGDG(16:0/18:1(11E))
PE 35:4; [M-H]-; GPEtn(15:0/20:4(5E,8E,11E,14E))
PC 34:1; [M+HCOO]-; GPCho(16:0/18:1(11E))
PG 40:6; [M-H]-; GPGro(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))
DGDG 36:3; [M-H]-; DGDG(18:1(11E)/18:2(2E,4E))
MGDG 39:6; [M-H]-; MGDG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 40:4; [M-H]-; GPSer(18:0/22:4(7Z,10Z,13Z,16Z))
PC 38:6; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E))
PE 37:4; [M-H]-; GPEtn(17:0/20:4(5E,8E,11E,14E))
PC 36:0; [M-Ac-H]-; GPCho(16:0/20:0)
PE 44:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:1(15Z))
CL 70:5; [M-2H](2-); CL(18:2/18:0/18:3/16:0)
PC 24:0; [M-Ac-H]-; GPCho(6:0/18:0)
PE 36:5; [M-H]-; GPEtn(18:2(2E,4E)/18:3(6Z,9Z,12Z))
PE 39:3; [M-H]-; GPEtn(19:0/20:3(5Z,8Z,11Z))
PC 38:3; [M-CH3]-; GPCho(18:0/20:3(5Z,8Z,11Z))
PC 35:2; [M-CH3]-; GPCho(17:0/18:2(2E,4E))
PC 36:4; [M-CH3]-; GPCho(16:0/20:4(5E,8E,11E,14E))
MGDG 40:6; [M-H]-; MGDG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 32:0; [M-Ac-H]-; GPCho(15:0/17:0)
PE 41:4; [M-H]-; GPEtn(19:0/22:4(7Z,10Z,13Z,16Z))
PC 40:3; [M-Ac-H]-; GPCho(18:1(11E)/22:2(13Z,16Z))
PC 38:1; [M-CH3]-; GPCho(18:0/20:1(11E))
PE 35:2; [M-H]-; GPEtn(17:0/18:2(2E,4E))
PC 35:1; [M-Ac-H]-; GPCho(17:0/18:1(11E))
PI 40:6; [M-H]-; GPIns(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 41:6; [M-H]-; GPEtn(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 42:1; [M-H]-; GPEtn(18:1(11E)/24:0)
CL 70:4; [M-2H](2-); CL(16:0/18:1/18:2/18:1)
PC 40:8; [M-Ac-H]-; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 33:1; [M-Ac-H]-; GPCho(16:0/17:1(9Z))
plasmenyl-PE 40:6; [M-H]-; PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 34:0; [M+HCOO]-; GPCho(16:0/18:0)
PC 33:0; [M-Ac-H]-; GPCho(17:0/16:0)
PG 34:2; [M-H]-; GPGro(16:1(7Z)/18:1(11E))
PC 40:7; [M-Ac-H]-; GPCho(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E))
PC 37:4; [M-Ac-H]-; GPCho(17:0/20:4(5E,8E,11E,14E))
PC 23:0; [M-Ac-H]-; GPCho(7:0/16:0)
PA 38:2; [M-H]-; GPA(18:1(11E)/20:1(11E))
PS 36:4; [M-H]-; GPSer(16:0/20:4(5E,8E,11E,14E))
PC 34:3; [M-Ac-H]-; GPCho(16:0/18:3(6Z,9Z,12Z))
PC 38:3; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:1(11E))
CL 78:11; [M-2H](2-); CL(16:0/18:0/22:5/22:6)
PC 42:6; [M-Ac-H]-; GPCho(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 33:1; [M-H]-; GPEtn(16:0/17:1(9Z))
CL 66:3; [M-2H](2-); CL(16:0/16:0/16:1/18:2)
PC 36:2; [M+HCOO]-; GPCho(16:0/20:2(11Z,14Z))
PC 40:1; [M-Ac-H]-; GPCho(16:0/24:1(15Z))
PE 40:3; [M-H]-; GPEtn(18:2(2E,4E)/22:1(13Z))
CL 72:2; [M-2H](2-); CL(18:1/18:0/20:1/16:0)
PE 35:0; [M-H]-; GPEtn(17:0/18:0)
PC 38:4; [M+HCOO]-; GPCho(16:0/22:4(7Z,10Z,13Z,16Z))
PE 37:2; [M-H]-; GPEtn(18:2(2E,4E)/19:0)
plasmenyl-PE 40:4; [M-H]-; PE(P-20:0/20:4(5E,8E,11E,14E))
PC 35:2; [M-Ac-H]-; GPCho(17:0/18:2(2E,4E))
PE 34:1; [M-H]-; GPEtn(16:0/18:1(11E))
plasmenyl-PE 38:4; [M-H]-; PE(P-18:0/20:4(5E,8E,11E,14E))
PA 34:0; [M-H]-; GPA(16:0/18:0)
PC 36:3; [M-CH3]-; GPCho(16:0/20:3(5Z,8Z,11Z))
PE 34:2; [M-H]-; GPEtn(16:0/18:2(2E,4E))
PC 38:7; [M-Ac-H]-; GPCho(18:3(6Z,9Z,12Z)/20:4(5E,8E,11E,14E))
CL 78:12; [M-2H](2-); CL(18:0/20:4/18:2/22:6)
CL 72:8; [M-2H](2-); CL(18:2/18:2/18:2/18:2)
PE 40:4; [M-H]-; GPEtn(18:0/22:4(7Z,10Z,13Z,16Z))
PC 30:0; [M+HCOO]-; GPCho(14:0/16:0)
PC 32:0; [M+HCOO]-; GPCho(16:0/16:0)
PE 36:2; [M-H]-; GPEtn(18:0/18:2(2E,4E))
PC 40:2; [M-Ac-H]-; GPCho(18:1(11E)/22:1(13Z))
PC 40:6; [M+HCOO]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 30:1; [M-Ac-H]-; GPCho(14:0/16:1(7Z))
PC 37:3; [M-Ac-H]-; GPCho(17:0/20:3(5Z,8Z,11Z))
PC 37:1; [M-Ac-H]-; GPCho(18:1(11E)/19:0)
CL 78:11; [M-2H](2-); CL(18:0/18:1/20:4/22:6)
PC 28:2; [M+HCOO]-; GPCho(2:0/26:2(5E,9Z))
PA 36:4; [M-H]-; GPA(16:0/20:4(5E,8E,11E,14E))
PG 34:0; [M-H]-; GPGro(17:0/17:0)
PC 40:6; [M-Ac-H]-; GPCho(20:2(11Z,14Z)/20:4(5E,8E,11E,14E))
PC 34:2; [M-Ac-H]-; GPCho(16:1(7Z)/18:1(11E))
PC 36:3; [M-CH3]-; GPCho(18:2(2E,4E)/18:1(11E))
CL 72:3; [M-2H](2-); CL(18:1/16:0/18:1/20:1)
PC 32:3; [M-Ac-H]-; GPCho(14:1(9Z)/18:2(2E,4E))
PE 44:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:0)
CL 68:2; [M-2H](2-); CL(16:0/16:0/18:1/18:1)
PC 34:3; [M-CH3]-; GPCho(16:1(7Z)/18:2(2E,4E))
PC 36:4; [M+HCOO]-; GPCho(18:2(2E,4E)/18:2(2E,4E))
PC 36:1; [M-CH3]-; GPCho(18:0/18:1(11E))
PE 38:1; [M-H]-; GPEtn(18:0/20:1(11E))
PC 38:2; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:0)
CL 72:5; [M-2H](2-); CL(18:0/18:2/18:1/18:2)
PC 38:6; [M+HCOO]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E))
PC 23:1; [M-Ac-H]-; GPCho(5:0/18:1(11E))
PG 38:3; [M-H]-; GPGro(18:1(11E)/20:2(11Z,14Z))
PG 38:5; [M-H]-; GPGro(18:2(2E,4E)/20:3(5Z,8Z,11Z))
PC 20:0; [M-Ac-H]-; GPCho(4:0/16:0)
CL 68:2; [M-2H](2-); CL(18:1/16:0/18:1/16:0)
PC 34:0 (internal standard)
PE 34:0 (internal standard)
PG 34:0 (internal standard)
PI 37:4 (internal standard)
PS 34:0 (internal standard)
CE 17:0; (internal standard)
lysoPC 17:0; (internal standard)
MG 17:0; (internal standard)
SM 17:0 (internal standard)
PA 17:0 (internal standard)
TG 17:0 (internal standard)
METABOLITES_END
#END