#METABOLOMICS WORKBENCH cwalker_bcm_20200124_122813 DATATRACK_ID:1907 STUDY_ID:ST001312 ANALYSIS_ID:AN002184 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                   	Acquity HSS UPLC T3 column (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                      	POSITIVE
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
TG 52:3; [M+Na]+; TG(16:0/18:1/18:2)	307184	264442	323691	350175	406103	374829	313731	354593	236156	319411
TG 56:0; [M+NH4]+; TG(16:0/18:0/22:0)	2454	1355	773	1274	2610	359	427	512	1449	653
TG 58:9; [M+Na]+; TG(18:1/18:2/22:6)	105996	79380	60537	99740	64925	147558	152916	138962	128431	130514
TG 56:4; [M+NH4]+; TG(18:1/18:2/20:1)	201022	121185	144200	211800	202375	164804	253096	194956	235603	195662
TG 53:1; [M+NH4]+; TG(17:0/18:0/18:1)	16245	12616	11747	17201	55485	9804	9604	8497	18905	14047
DG 40:2; [M+NH4]+; DG(18:1/22:1/0:0)	520	803	477	1553	1103	303	466	966	212	394
TG 56:8; [M+Na]+; TG(16:0/18:2/22:6)	281073	189250	191291	336305	145720	371268	337292	340536	330625	378038
PC 42:3; [M+Na]+; GPCho(18:2(2E,4E)/24:1(15Z))	4083	3579	6061	4748	9683	4575	3853	2208	3124	4785
PC 40:2; [M+Na]+; GPCho(18:2(2E,4E)/22:0)	1710	1460	1643	1107	4270	1392	1422	3855	1759	1471
TG 50:3; [M+Na]+; TG(16:0/16:1/18:2)	60288	51257	62346	75326	148112	72770	40029	61945	40314	69325
TG 54:7; [M+Na]+; TG(16:0/18:2/20:5)	137265	86770	83632	159130	82737	218061	151319	164362	169145	188748
PC 36:1; [M+Na]+; GPCho(12:0/24:1(15Z))	785	1833	1982	1280	1658	2637	1317	1344	1603	2343
TG 56:7; [M+Na]+; TG(16:0/18:1/22:6)	176656	120306	107097	181474	127623	159768	228941	175475	259364	163887
TG 55:1; [M+NH4]+; TG(16:0/18:1/21:0)	3749	3522	2474	6642	17650	2110	3591	3790	8190	4716
TG 57:3; [M+NH4]+; TG(18:1/18:2/21:0)	37350	26713	22389	30376	26765	18246	19450	26234	56523	22476
TG 52:6; [M+NH4]+; TG(16:1/18:2/18:3)	116238	59749	101849	130091	195836	152415	145294	148010	202977	184871
TG 52:1; [M+Na]+; TG(16:0/18:0/18:1)	52308	44042	59118	73189	185323	60122	56168	58774	62513	73121
DG 30:0; [M+NH4]+; DG(14:0/16:0/0:0)	1350	1275	619	869	1154	1365	582	1031	951	1114
TG 56:1; [M+NH4]+; TG(16:0/18:1/22:0)	8470	4900	4656	8064	19932	3557	6520	7705	11307	7705
PC 38:2; [M+Na]+; GPCho(18:2(2E,4E)/20:0)	2976	6686	7566	6605	7578	2711	2363	4644	5656	4031
TG 54:6; [M+NH4]+; TG(18:1/18:2/18:3)	451591	363854	500892	620141	829103	485894	626360	586988	773115	735051
TG 60:13; [M+Na]+; TG(18:2/20:5/22:6)	21594	20568	19191	26512	9486	48138	41828	35399	50248	55036
DG 34:1; [M+NH4]+; DG(16:0/18:1/0:0)	19168	13536	15908	27509	25942	33437	24385	21679	46027	27086
TG 56:4; [M+Na]+; TG(18:1/18:2/20:1)	96036	78420	81274	116569	101587	114993	127790	123830	91668	111926
TG 46:1; [M+NH4]+; TG(14:0/16:0/16:1)	12843	9886	13129	23619	169127	12463	9446	13116	13897	20861
TG 57:1; [M+NH4]+; TG(18:0/18:1/21:0)	1266	311	432	1067	3959	202	1121	597	1442	785
PC 38:2; [M+Na]+; GPCho(16:0/22:2(13Z,16Z))	6859	8996	5350	8086	10361	3176	3237	5146	6399	4510
PC 30:2; [M+Na]+; GPCho(15:1(9Z)/15:1(9Z))	725	1391	1671	1666	4462	1904	2054	1688	1056	2831
TG 58:4; [M+NH4]+; TG(18:1/18:2/22:1)	55221	33633	60079	72027	164592	32553	56182	45516	49635	88987
DG 40:3; [M+NH4]+; DG(18:2/22:1/0:0)	2241	1802	2209	2517	2918	1655	1926	1943	2923	4260
TG 42:0; [M+NH4]+; TG(12:0/14:0/16:0)	866	709	1139	1589	3883	807	1126	1085	969	1092
PC 40:3; [M+Na]+; GPCho(18:2(2E,4E)/22:1(13Z))	11720	12118	9708	15316	29085	13031	11942	12663	16046	15530
PC 44:5; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/24:1(15Z))	2249	4020	1792	2136	1937	5859	7959	5339	2496	4900
PC 36:4; [M+Na]+; GPCho(18:2(2E,4E)/18:2(2E,4E))	425234	230232	365902	498613	474769	702488	685231	581644	515681	577685
DG 34:3; [M+NH4]+; DG(16:1/18:2/0:0)	11526	10849	11894	27914	5612	36502	22140	19655	37185	22463
TG 60:12; [M+Na]+; TG(18:2/20:4/22:6)	31571	28586	27107	36939	17810	50153	47341	42627	53451	51461
TG 53:4; [M+NH4]+; TG(17:1/18:1/18:2)	64458	55643	56063	77134	40734	54914	68389	72585	80499	68831
TG 48:2; [M+NH4]+; TG(14:0/16:1/18:1)	124171	96196	119493	237789	923507	107627	104169	112487	124958	151138
DG 34:0; [M+NH4]+; DG(16:0/18:0/0:0)	18184	31710	20865	15041	19415	15482	7331	23594	13963	21268
TG 52:6; [M+Na]+; TG(16:1/18:2/18:3)	25010	13645	23983	39387	55248	37011	30908	34699	19184	36251
PC 38:1; [M+Na]+; GPCho(26:1(5Z)/12:0)	11272	14958	16047	24693	13836	23209	22536	24229	7394	21028
TG 56:2; [M+Na]+; TG(18:0/18:1/20:1)	33954	24012	27661	37996	65454	24387	32455	33052	29898	36352
TG 56:9; [M+Na]+; TG(18:2/18:2/20:5)	80446	56429	50562	84524	57727	106432	103656	102340	100191	121752
TG 56:7; [M+Na]+; TG(18:1/18:2/20:4)	202590	121510	123292	172375	156844	210562	196151	197593	183266	213449
DG 36:1; [M+NH4]+; DG(18:0/18:1/0:0)	4382	2732	2930	3458	5317	4203	4840	3320	6347	3607
TG 56:9; [M+Na]+; TG(16:1/18:2/22:6)	60292	48017	47359	77812	57228	94617	77668	85136	91144	99007
TG 54:5; [M+Na]+; TG(18:1/18:2/18:2)	135399	150109	153679	198823	298462	216524	214484	182596	115714	208907
TG 58:6; [M+NH4]+; TG(18:2/18:3/22:1)	7394	3873	5354	8833	6508	5829	5947	4861	10127	3235
TG 62:13; [M+Na]+; TG(18:2/22:5/22:6)	22944	11892	12441	18750	6068	26741	24711	16329	26082	24403
PC 32:2; [M+Na]+; GPCho(16:1(7Z)/16:1(7Z))	18664	19858	17216	27717	23055	45731	36146	34561	11936	26716
DG 35:1; [M+NH4]+; DG(17:0/18:1/0:0)	341	501	136	404	1577	295	832	1181	708	460
DG 38:2; [M+NH4]+; DG(18:1/20:1/0:0)	2559	1722	3438	4387	2339	3127	3335	3627	5049	3543
TG 56:10; [M+Na]+; TG(18:2/18:3/20:5)	11059	9705	5950	13199	8981	21613	19807	10789	16890	20960
TG 54:7; [M+NH4]+; TG(18:2/18:2/18:3)	498536	418611	334232	698196	284870	746944	618143	614183	1078906	924346
TG 54:2; [M+NH4]+; TG(16:0/18:1/20:1)	163115	113291	116495	190665	280722	140350	159509	110673	226915	170284
TG 53:4; [M+Na]+; TG(17:1/18:1/18:2)	8969	8884	9125	11208	9588	10524	12423	15400	6100	11124
PC 42:5; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/22:1(13Z))	1651	3932	2940	2829	3957	2540	4428	2846	2061	3127
PC 38:1; [M+Na]+; GPCho(18:0/20:1(11E))	13345	15742	15848	25217	8363	24006	22868	23186	27118	22443
DG 35:3; [M+NH4]+; DG(17:1/18:2/0:0)	669	675	1637	2343	920	1666	731	1504	2219	1871
PC 40:2; [M+Na]+; GPCho(20:1(11E)/20:1(11E))	8296	10292	11483	11515	18490	8617	10133	10062	16454	11237
PC 30:1; [M+Na]+; GPCho(8:0/22:1(13Z))	5007	5619	8515	4972	6881	3817	4193	4636	4989	5395
TG 50:0; [M+NH4]+; TG(16:0/16:0/18:0)	46465	25886	43867	67663	228269	43446	53468	39237	66767	58051
PC 42:2; [M+Na]+; GPCho(18:2(2E,4E)/24:0)	2573	1813	4173	2454	4706	1907	1283	2464	1390	1809
DG 34:2; [M+NH4]+; DG(16:0/18:2/0:0)	46551	43824	41823	83887	33628	106979	78736	69548	112647	95076
TG 54:6; [M+Na]+; TG(16:0/18:1/20:5)	89282	76268	100213	132786	237526	119583	105040	117981	99578	132137
TG 60:4; [M+Na]+; TG(18:2/20:1/22:1)	19287	9384	12759	18046	24001	4457	13844	9716	12525	12978
lysoPC 18:2; [M+H]+; PC(18:2(2E,4E)/0:0)	63264	65271	31482	34977	32123	41114	58484	34652	21266	26449
TG 58:3; [M+NH4]+; TG(18:1/18:2/22:0)	35166	21762	20466	33389	75533	13794	21725	25584	26810	27142
TG 58:1; [M+NH4]+; TG(18:0/18:1/22:0)	4013	1255	1670	4109	7036	2141	3224	2732	2283	1797
TG 58:3; [M+NH4]+; TG(18:1/20:1/20:1)	31964	22790	20238	33114	76158	14608	24379	24465	26994	29483
PC 40:1; [M+Na]+; GPCho(22:1(13Z)/18:0)	3848	3289	3514	4626	4314	3971	5159	2281	4527	5085
TG 51:1; [M+Na]+; TG(16:0/17:0/18:1)	10283	7652	9138	13435	28742	9210	8961	12118	9891	10909
TG 51:2; [M+NH4]+; TG(16:0/17:0/18:2)	2340	934	3998	7432	9921	2548	2486	763	2091	3010
TG 54:1; [M+NH4]+; TG(18:0/18:0/18:1)	26841	20007	19540	32615	62786	20614	26500	18110	38493	25015
PC 42:3; [M+Na]+; GPCho(16:1(7Z)/26:2(5E,9Z))	4460	1252	4016	2227	7096	1726	3239	2757	2123	2572
PC 36:2; [M+Na]+; GPCho(18:0/18:2(2E,4E))	289	1040	801	627	5376	5848	1360	3813	7941	2186
TG 58:8; [M+NH4]+; TG(18:1/18:2/22:5)	195227	109552	105566	189154	87836	212753	298815	154751	318707	214496
TG 54:7; [M+Na]+; TG(18:2/18:2/18:3)	139964	77620	84766	154650	86962	162393	159313	136154	169832	183869
TG 58:4; [M+Na]+; TG(18:1/18:2/22:1)	37126	33385	39584	59002	87150	44032	59122	32290	35461	77087
PC 34:0; [M+Na]+; GPCho(17:0/17:0)	102198	90990	99614	97759	89471	111919	98996	106142	82773	83794
DG 42:2; [M+NH4]+; DG(18:1/24:1/0:0)	1950	1128	2507	1734	940	2280	2248	1547	2126	1382
PC 38:1; [M+Na]+; GPCho(14:0/24:1(15Z))	10493	13069	13345	10385	22865	14407	12230	8190	19215	15782
TG 60:13; [M+NH4]+; TG(18:2/20:5/22:6)	56054	43503	37472	71352	17387	118527	93721	72372	155829	136256
TG 60:6; [M+NH4]+; TG(18:1/20:1/22:4)	6515	3724	7003	7298	7746	3011	3693	6100	7204	9726
TG 50:4; [M+NH4]+; TG(16:1/16:1/18:2)	235032	174194	220038	336993	293522	210117	235357	255449	273742	316389
TG 58:3; [M+Na]+; TG(18:1/20:1/20:1)	25756	19154	24026	31877	43303	24250	21715	21348	27205	26527
PC 33:4; [M+Na]+; GPCho(15:1(9Z)/18:3(6Z,9Z,12Z))	5744	5365	6427	3501	6235	3634	3084	3175	2901	4397
TG 58:5; [M+Na]+; TG(18:2/18:2/22:1)	34433	30882	60577	66788	101720	48014	52497	61958	48412	79667
PC 31:1; [M+Na]+; GPCho(9:0/22:1(13Z))	53628	50403	55869	62880	71036	67029	51211	60076	60557	65518
PC 40:2; [M+Na]+; GPCho(18:1(11E)/22:1(13Z))	9893	16427	19085	21830	22912	22793	21177	20457	15739	19082
PC 38:2; [M+Na]+; GPCho(18:0/20:2(11Z,14Z))	65127	57161	57431	80080	126502	75877	59932	48891	110646	84917
CE(16:1); [M+NH4]+; 16:1 Cholesteryl ester	4877	3609	7219	7955	11784	3916	3826	5354	5277	7614
TG 56:1; [M+Na]+; TG(16:0/18:1/22:0)	7100	4956	10094	8367	12733	4504	4805	5168	7796	5494
plasmenyl-PE 36:4; [M+H]+; PE(P-16:0/20:4(5E,8E,11E,14E))	72820	82216	85903	78979	49087	53889	50933	57476	66244	78240
TG 64:16; [M+NH4]+; TG(20:5/22:5/22:6)	1539	1489	369	1078	505	3152	2375	2023	3281	2766
TG 58:10; [M+Na]+; TG(18:2/18:2/22:6)	72439	52470	57555	92511	72029	105444	125780	90041	118775	116555
TG 50:0; [M+Na]+; TG(16:0/16:0/18:0)	29814	19200	17539	37577	36397	60247	52388	33916	24078	31448
PC 32:1; [M+Na]+; GPCho(16:0/16:1(7Z))	198237	180709	142103	283471	150962	324841	348328	345809	207818	295774
TG 56:7; [M+NH4]+; TG(16:0/18:1/22:6)	790787	417392	370240	637101	391179	662498	798644	514426	1158306	826196
TG 57:3; [M+Na]+; TG(18:1/18:2/21:0)	9889	6616	10130	14695	9332	8261	10554	7615	9257	12558
TG 58:6; [M+NH4]+; TG(18:1/18:1/22:4)	49211	25226	30915	62586	26663	56127	92755	48687	89428	57106
PC 30:1; [M+Na]+; GPCho(15:0/15:1(9Z))	2445	5065	3583	4399	2237	2096	2695	2912	2979	3767
TG 60:12; [M+Na]+; TG(18:2/20:5/22:5)	31027	19786	25734	29795	12752	43640	29912	35952	50024	51158
CE(17:1); [M+NH4]+; 17:1 Cholesteryl ester	866	679	533	1355	1052	1001	437	1133	2637	1420
TG 58:5; [M+NH4]+; TG(18:0/18:1/22:4)	38785	25375	45450	45106	97929	29158	57432	34363	36334	77446
TG 58:5; [M+NH4]+; TG(18:1/20:1/20:3)	40930	25002	50427	53030	111907	26160	43110	43315	35944	65393
DG 32:1; [M+NH4]+; DG(16:0/16:1/0:0)	2821	1443	2551	6103	7455	5551	3978	3060	7083	5884
PC 38:1; [M+Na]+; GPCho(17:1(9Z)/21:0)	3373	1203	4196	2145	6014	1627	2350	1708	3470	2531
TG 56:8; [M+NH4]+; TG(16:0/18:2/22:6)	1234863	708603	694035	1043753	365335	1237063	1442360	1193683	2194947	1580277
PC 30:0; [M+Na]+; GPCho(14:0/16:0)	7847	8776	6712	10352	14386	8060	10415	8032	8236	12985
PC 38:4; [M+Na]+; GPCho(18:0/20:4(5E,8E,11E,14E))	35574	50266	46469	49422	22219	51511	261143	55018	197474	52573
TG 52:4; [M+NH4]+; TG(16:1/18:1/18:2)	113252	95841	133061	130786	104515	58476	54654	125876	163680	86598
PC 32:1; [M+Na]+; GPCho(14:0/18:1(11E))	191551	181833	144787	289353	150849	378599	372042	267680	210034	302055
CE(18:1); [M+NH4]+; 18:1 Cholesteryl ester	414	504	557	605	76	127	127	176	30	502
PC 40:6; [M+Na]+; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	20631	17436	21279	21674	23519	21381	14705	22265	22678	21003
TG 55:2; [M+NH4]+; TG(18:1/18:1/19:0)	8530	7994	8505	10558	6939	3341	5141	11076	15201	13267
TG 52:5; [M+Na]+; TG(16:1/18:2/18:2)	77314	59764	67803	91966	69952	74447	81430	90878	69125	86140
TG 50:1; [M+Na]+; TG(16:0/16:0/18:1)	68161	61721	67965	74951	238017	128973	136485	94662	68782	89676
CE(22:5); [M+NH4]+; 22:5 Cholesteryl ester	16283	16160	16923	18042	18971	9130	6599	8289	19750	13364
PC 40:6; [M+Na]+; GPCho(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	24343	20382	21637	25529	26721	30581	31185	27999	31984	30238
PC 31:1; [M+Na]+; GPCho(15:1(9Z)/16:0)	80353	56233	70960	74750	72942	104626	74746	75415	72743	91678
CE(17:0); [M+NH4]+; 17:0 Cholesteryl ester	390	338	217	2355	729	398	238	244	286	723
lysoPC 20:0; [M+H]+; PC(20:0/0:0)	9468	16959	14521	16916	25557	13099	6890	9576	13302	20535
DG 30:1; [M+NH4]+; DG(14:0/16:1/0:0)	241	271	833	512	831	430	518	484	242	1001
PC 38:1; [M+Na]+; GPCho(23:0/15:1(9Z))	4353	2577	5351	6149	9915	2119	2916	3339	4606	6883
PC 39:5; [M+Na]+; GPCho(17:0/22:5(4Z,7Z,10Z,13Z,16Z))	7446	10904	10732	7300	4528	13794	8112	8212	10052	10938
TG 60:10; [M+Na]+; TG(18:0/20:4/22:6)	13570	12136	11479	29879	5760	22195	28265	12122	21432	15471
TG 56:1; [M+NH4]+; TG(16:0/20:0/20:1)	8776	3479	5157	8955	24248	3497	7370	4911	8989	7793
TG 50:4; [M+Na]+; TG(16:1/16:1/18:2)	29009	26413	34856	54127	53408	38011	30971	35748	29367	40313
TG 60:11; [M+Na]+; TG(18:1/20:4/22:6)	15459	14228	16773	28590	8557	26353	55565	32646	56432	47929
TG 58:7; [M+NH4]+; TG(18:1/18:1/22:5)	178723	83808	65264	125364	61451	118676	159217	118207	225857	127856
TG 60:7; [M+NH4]+; TG(18:1/20:1/22:5)	10614	8497	10816	14022	18496	9094	10684	14538	17722	11117
PC 40:1; [M+Na]+; GPCho(16:0/24:1(15Z))	3904	1085	2974	4624	4033	3909	4990	3291	4338	4180
PC 33:2; [M+Na]+; GPCho(15:0/18:2(2E,4E))	52415	47874	43534	75290	66375	118351	100502	56869	92207	99018
PC 38:1; [M+Na]+; GPCho(16:1(7Z)/22:0)	4608	4829	10028	8117	14149	4617	3971	4490	6554	7226
TG 54:4; [M+NH4]+; TG(18:1/18:1/18:2)	736913	549270	471948	809248	500642	980761	1557279	687144	897762	932983
TG 56:6; [M+Na]+; TG(16:0/18:1/22:5)	155285	109093	111920	159175	51067	178296	162250	165558	146391	173423
CE(16:2); [M+NH4]+; 16:2 Cholesteryl ester	196	325	538	413	291	448	651	291	291	290
PC 38:1; [M+Na]+; GPCho(15:1(9Z)/23:0)	5260	5367	11178	8752	15121	5281	3847	4596	9992	8542
TG 60:14; [M+NH4]+; TG(18:3/20:5/22:6)	1780	1752	1535	4041	626	4545	3348	1710	7990	8651
TG 54:0; [M+NH4]+; TG(16:0/18:0/20:0)	15793	5178	5435	6854	11413	3778	6609	36307	15602	8622
PC 34:2; [M+Na]+; GPCho(16:0/18:2(6Z,9Z))	12049	47878	9871	9742	159186	7504	8331	96842	70726	5134
PC 38:1; [M+Na]+; GPCho(16:0/22:1(13Z))	3769	3675	8362	7819	12272	1967	4212	3989	5631	6682
plasmenyl-PC 30:0; [M+Na]+; PC(P-16:0/14:0)	761	1393	648	1193	1228	2251	1159	642	1644	1669
TG 56:5; [M+Na]+; TG(18:1/18:2/20:2)	104199	94128	91653	109530	73014	143450	156221	142173	105993	122656
TG 58:2; [M+Na]+; TG(16:0/20:1/22:1)	12830	8116	13479	15103	24819	9218	11989	9651	10315	13322
PC 38:5; [M+Na]+; GPCho(18:1(11E)/20:4(5E,8E,11E,14E))	19909	19531	14301	12740	18941	39888	23465	29972	23294	33317
TG 58:10; [M+NH4]+; TG(18:2/18:3/22:5)	39649	38263	40737	52853	40578	43248	53179	43910	94234	55276
TG 56:8; [M+Na]+; TG(18:2/18:2/20:4)	68121	35158	28727	71474	26577	189985	208726	34360	48958	107819
TG 50:3; [M+NH4]+; TG(16:1/16:1/18:1)	687599	494870	503984	1043500	948381	595090	586592	593960	795624	712594
TG 52:4; [M+Na]+; TG(16:0/18:2/18:2)	220252	213982	243810	248070	244205	300588	263377	299177	191275	271235
CE(18:3); [M+NH4]+; 18:3 Cholesteryl ester	3471	3756	5724	4743	5325	1729	2917	3683	5663	6286
TG 54:8; [M+NH4]+; TG(18:2/18:3/18:3)	135204	94853	91921	187027	62848	171676	160611	171834	276164	255798
TG 58:11; [M+Na]+; TG(18:2/18:3/22:6)	14507	15654	13961	26500	18797	46928	43134	32412	37373	41581
TG 48:3; [M+NH4]+; TG(14:1/16:1/18:1)	63096	51313	52535	117964	158976	56405	48411	59660	69378	83878
TG 53:5; [M+NH4]+; TG(17:1/18:2/18:2)	28201	16983	23891	43866	25005	39321	32443	42506	30435	42046
CE(20:4); [M+NH4]+; 20:4 Cholesteryl ester	418308	485562	541680	461817	299424	301342	242228	345273	540453	419500
TG 53:2; [M+NH4]+; TG(17:0/18:1/18:1)	1581	1025	1080	3765	3075	1466	2178	1864	3248	1440
TG 52:2; [M+Na]+; TG(16:0/18:1/18:1)	5544	3373	5021	4942	15868	3687	4818	3901	5253	5667
DG 35:2; [M+NH4]+; DG(17:1/18:1/0:0)	1282	930	1041	3320	580	1098	656	1652	2937	1418
DG 38:1; [M+NH4]+; DG(16:0/22:1/0:0)	1144	463	1041	1612	1420	629	862	889	502	1692
lysoPC 15:0; [M+H]+; PC(15:0/0:0)	81759	90412	68942	36934	58787	27456	27312	50140	35182	61610
lysoPC 17:0; [M+H]+; PC(17:0/0:0)	15312	22743	10768	16341	15972	9770	17340	8809	11233	8829
DG 36:5; [M+NH4]+; DG(18:2/18:3/0:0)	8568	7520	3633	16464	3064	17440	14270	20136	24283	14067
TG 60:9; [M+Na]+; TG(18:2/20:1/22:6)	14115	8635	10865	15888	9324	19982	16721	20158	16545	16638
PC 35:1; [M+Na]+; GPCho(9:0/26:1(5Z))	1191	5364	2983	1964	3171	10708	7594	7111	3334	5730
PC 32:0; [M+Na]+; GPCho(24:0/8:0)	10467	6482	7502	5132	9472	5594	6839	13929	10564	9520
PC 40:4; [M+Na]+; GPCho(20:0/20:4(5E,8E,11E,14E))	2359	3038	2695	3893	2285	3819	2679	2994	3347	3143
TG 46:2; [M+NH4]+; TG(12:0/18:1/16:1)	18351	12443	14787	30680	98468	15030	17560	13209	20062	22542
TG 54:0; [M+Na]+; TG(16:0/18:0/20:0)	3942	1907	2944	4765	8271	3741	3757	5020	6778	3998
TG 58:8; [M+Na]+; TG(18:1/18:1/22:6)	103053	48296	47309	72838	42988	96303	122023	77527	73134	88672
CE(22:4); [M+NH4]+; 22:4 Cholesteryl ester	26056	21481	25036	26532	15315	14837	11894	12749	49525	32403
PC 32:0; [M+Na]+; GPCho(6:0/26:0)	24241	20456	22357	18667	21808	24973	18279	16844	20791	21206
TG 48:1; [M+NH4]+; TG(14:0/16:0/18:1)	93324	79482	80364	152578	876330	90635	81352	77573	117853	126757
TG 58:9; [M+NH4]+; TG(18:1/18:2/22:6)	345592	210546	152078	296445	118831	434089	526855	327681	577437	438382
PC 38:6; [M+Na]+; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	8248	9259	11082	12319	8928	7362	8022	9071	14533	11810
TG 49:2; [M+Na]+; TG(16:0/16:1/17:1)	1795	2006	2436	4574	3320	9632	4756	2217	2066	2853
PC 40:7; [M+Na]+; GPCho(18:2(2E,4E)/22:5(4Z,7Z,10Z,13Z,16Z))	240530	198017	182844	242850	264120	249197	240691	188824	313399	195222
DG 32:2; [M+NH4]+; DG(14:0/18:2/0:0)	5310	3145	4209	10155	8028	8092	6118	5952	8595	6182
DG 38:4; [M+NH4]+; DG(18:1/20:3/0:0)	5085	3176	4016	4261	7194	8109	7060	6708	14307	6239
PA 45:5; [M+Na2-H]+; GPA(20:5(5Z,8Z,11Z,14Z,17Z)/25:0)	967	193	193	289	386	946	835	4118	1600	1163
TG 56:9; [M+NH4]+; TG(18:2/18:2/20:5)	242406	172412	143665	268306	135093	305601	340190	292646	522957	449742
TG 51:3; [M+Li]+; TG(16:1/17:0/18:2)	28214	24574	34590	53703	52615	36502	24736	36220	28469	37030
TG 57:5; [M+Na]+; TG(18:1/19:0/20:4)	3418	2491	2444	4253	2925	3680	4671	3799	3881	2164
PA 50:0; [M+Na2-H]+; GPA(24:0/26:0)	16558	11691	13251	16107	7903	20065	15638	17124	12576	18211
CE(20:5); [M+NH4]+; 20:5 Cholesteryl ester	34088	50584	57082	35505	145842	26450	27451	40662	46101	47899
TG 50:2; [M+Na]+; TG(16:0/16:1/18:1)	77302	73409	97523	114218	355249	71647	63724	75380	48354	87657
TG 54:7; [M+Na]+; TG(16:1/18:2/20:4)	111599	80759	84118	148337	86387	147144	140979	161135	151824	179785
TG 60:14; [M+Na]+; TG(18:3/20:5/22:6)	947	772	2058	744	770	2661	2387	2431	4393	4444
PC 40:6; [M+Na]+; GPCho(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))	21341	15396	18223	20595	23211	37164	30501	22457	25357	29942
TG 58:3; [M+Na]+; TG(18:1/18:2/22:0)	20541	16765	22764	26959	39797	21125	27264	24313	22629	33973
TG 58:11; [M+NH4]+; TG(16:0/20:5/22:6)	33483	23403	16218	40227	19973	90824	93400	48250	74683	72854
TG 58:2; [M+NH4]+; TG(18:0/18:2/22:0)	17314	8641	10142	9382	30845	5516	6044	9566	10103	11646
TG 54:6; [M+NH4]+; TG(16:0/16:0/22:6)	1480	1051	1196	1308	2051	1832	2719	952	1733	905
TG 58:11; [M+Na]+; TG(16:0/20:5/22:6)	16934	17906	18983	27831	16359	46018	35216	28065	45182	36767
TG 53:7; [M+NH4]+; TG(17:2/18:2/18:3)	20327	15276	19322	31394	30497	39546	37243	24815	27344	30770
PC 36:6; [M+Na]+; GPCho(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	4640	3022	3071	8596	7863	8113	6647	4951	1535	7714
TG 50:3; [M+NH4]+; TG(16:0/16:1/18:2)	67593	54853	67880	96216	118233	37377	29981	55658	86025	56235
CE(20:3); [M+NH4]+; 20:3 Cholesteryl ester	37823	47132	52172	38502	28149	25640	14802	35420	47543	33179
TG 55:3; [M+Na]+; TG(18:1/18:2/19:0)	21872	15543	15836	23515	15099	23504	30034	21328	26799	26973
TG 57:2; [M+NH4]+; TG(18:0/18:2/21:0)	12151	12144	8770	12871	22800	10570	9035	6766	25318	11990
TG 58:7; [M+Na]+; TG(18:0/18:1/22:6)	70506	29094	38400	62815	28488	77894	86108	68199	72554	43587
PC 34:3; [M+Na]+; GPCho(16:0/18:3(6Z,9Z,12Z))	34415	34827	51203	46735	32629	58707	55022	109325	38749	45273
PC 38:7; [M+Na]+; GPCho(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	7756	13629	11236	14871	2822	14094	12113	15570	21749	17835
TG 57:2; [M+NH4]+; TG(18:1/18:1/21:0)	11870	11408	7741	12506	23052	8310	9244	7175	21292	11287
plasmenyl-PC 37:0; [M+Na]+; PC(P-20:0/17:0)	3458	1866	4405	5011	4244	4600	2333	2844	3093	4546
TG 55:2; [M+Na]+; TG(16:0/18:2/21:0)	10597	5636	11481	15915	12177	9732	13254	8320	11869	14774
lysoPC 15:1; [M+H]+; PC(15:1(9Z)/0:0)	24480	13710	11941	13970	14068	4912	11182	12671	10382	11152
PC 38:1; [M+Na]+; GPCho(18:1(13Z)/20:0)	6460	6012	7553	8475	7375	16302	16628	5770	9786	8555
TG 56:6; [M+NH4]+; TG(16:0/18:1/22:5)	21610	20215	23982	29778	10756	10974	15089	28060	45459	24371
PC 37:1; [M+Na]+; GPCho(18:1(11E)/19:0)	703	1013	1092	653	1542	1367	1637	588	2753	4459
PC 40:8; [M+Na]+; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	10639	8973	7603	8956	18938	15297	15040	10831	13983	8821
TG 54:8; [M+Na]+; TG(18:2/18:3/18:3)	45015	31573	26040	53590	20635	62009	54937	59547	29816	74903
TG 58:9; [M+NH4]+; TG(18:2/18:2/22:5)	355974	223803	202112	323876	137916	328304	466533	304494	693962	415685
TG 55:1; [M+Na]+; TG(16:0/18:1/21:0)	2160	1183	2457	4430	4071	1854	2820	2049	3703	2632
plasmenyl-PC 38:1; [M+Na]+; PC(P-16:0/22:1(13Z))	15452	11017	10679	16330	15126	6770	6040	9872	17221	9255
TG 52:3; [M+NH4]+; TG(16:0/18:1/18:2)	1155448	937259	1129732	1343091	1046514	690405	794711	1206125	2088976	965238
CE(16:0); [M+NH4]+; 16:0 Cholesteryl ester	8759	6152	7686	8531	10385	8896	6229	5560	11803	10874
PC 36:0; [M+Na]+; GPCho(18:0/18:0)	5064	3933	4552	6762	40867	28495	28391	5669	27875	36157
TG 58:9; [M+Na]+; TG(18:2/18:2/22:5)	91097	74828	74990	96121	72222	127199	119373	100107	136674	116070
DG 38:5; [M+NH4]+; DG(18:2/20:3/0:0)	10807	11413	10098	11991	2951	14590	11329	17435	30821	12936
CE(22:6); [M+NH4]+; 22:6 Cholesteryl ester	3273	4598	2939	2322	5251	834	582	1572	3200	2464
DG 40:2; [M+NH4]+; DG(18:2/22:0/0:0)	370	590	1386	671	1595	221	689	791	1209	1423
TG 62:9; [M+Na]+; TG(18:2/22:1/22:6)	1458	1302	1559	3061	2673	1262	4042	2748	3007	4968
lysoPC 20:3; [M+H]+; PC(20:3(5Z,8Z,11Z)/0:0)	2003	2686	1998	3966	2127	2205	3091	3926	2478	2640
PC 38:7; [M+Na]+; GPCho(18:2(2E,4E)/20:5(5Z,8Z,11Z,14Z,17Z))	10489	11553	12612	16652	26674	23449	15136	18477	14278	8640
TG 53:3; [M+Na]+; TG(17:0/18:1/18:2)	7662	10963	9126	14201	26106	16724	29189	9447	9824	10405
TG 60:8; [M+NH4]+; TG(18:2/20:1/22:5)	30374	8532	10135	34496	20626	43775	62494	26420	51562	28660
TG 53:6; [M+NH4]+; TG(17:2/18:2/18:2)	24539	21735	21870	31913	47352	36520	60793	32140	36407	32386
TG 56:3; [M+Na]+; TG(18:1/18:1/20:1)	75560	70621	67116	106087	116784	101230	95076	59546	84206	104597
TG 54:6; [M+NH4]+; TG(16:0/18:2/20:4)	446108	350136	507465	613595	842679	460679	596026	576851	775143	720317
TG 58:4; [M+Na]+; TG(16:0/20:4/22:0)	40200	31350	42910	60528	102651	34234	38459	31005	28664	60830
TG 56:10; [M+NH4]+; TG(18:2/18:3/20:5)	23951	24015	16904	34660	27739	48449	44907	42339	63499	68457
TG 60:12; [M+NH4]+; TG(18:2/20:4/22:6)	80922	74790	60138	88913	37193	109211	102224	93644	216080	129345
TG 51:3; [M+NH4]+; TG(16:0/17:1/18:2)	111290	94304	97115	143671	82928	85717	105346	112861	145528	105790
PC 37:5; [M+Na]+; GPCho(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	6868	6745	6844	10634	5567	12637	9048	6865	8639	7913
PC 42:9; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/22:5(7Z,10Z,13Z,16Z,19Z))	15318	10323	12325	13142	30816	18498	15454	12090	17393	11776
PC 38:3; [M+Na]+; GPCho(18:0/20:3(5Z,8Z,11Z))	3151268	2431022	2476448	3131797	3792232	6363881	5921043	3467227	4512346	4511439
CE 17:0; (internal standard)	1283358	1115906	1016660	1184416	962730	1429554	1494977	1341517	1320506	1526730
D31-TAG (internal standard)	314	873	84	77	510	285	570	162	380	462
d5-DAG (internal standard)	37023	30130	18578	34218	22419	31428	33581	15537	22684	27874
lysoPC 17:0;[M+H]+ (internal standard)	2511058	2228359	2126249	2519602	2114830	3127677	3282842	3148419	2589308	2976310
MG 17:0; [M+NH4]+ (internal standard)	104033	123513	106547	114309	72397	160976	212870	139224	123275	181856
PC 17:0; [M+H]+ (internal standard)	2891199	2522204	2406194	2642306	2418596	4709272	4833897	3920920	3021950	3736915
PE 17:0; [M+H]+ (internal standard)	752226	659281	632452	726458	620288	744400	933868	1153723	936290	916949
PG 17:0; [M+H]+ (internal standard)	161	166	413	624	291	466	813	766	237	383
SM 17:0;[M+H]+ (internal standard)	3063281	2906448	2729692	3073278	2814904	3679287	4028950	3376305	2030617	3353860
PS 17:0;[M+H]+ (internal standard)	805	1673	798	660	1102	1196	1435	884	471	1050
TG 17:0 (internal standard)	1120	260	288	2143	2473	653	423	1444	1430	857
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
TG 52:3; [M+Na]+; TG(16:0/18:1/18:2)
TG 56:0; [M+NH4]+; TG(16:0/18:0/22:0)
TG 58:9; [M+Na]+; TG(18:1/18:2/22:6)
TG 56:4; [M+NH4]+; TG(18:1/18:2/20:1)
TG 53:1; [M+NH4]+; TG(17:0/18:0/18:1)
DG 40:2; [M+NH4]+; DG(18:1/22:1/0:0)
TG 56:8; [M+Na]+; TG(16:0/18:2/22:6)
PC 42:3; [M+Na]+; GPCho(18:2(2E,4E)/24:1(15Z))
PC 40:2; [M+Na]+; GPCho(18:2(2E,4E)/22:0)
TG 50:3; [M+Na]+; TG(16:0/16:1/18:2)
TG 54:7; [M+Na]+; TG(16:0/18:2/20:5)
PC 36:1; [M+Na]+; GPCho(12:0/24:1(15Z))
TG 56:7; [M+Na]+; TG(16:0/18:1/22:6)
TG 55:1; [M+NH4]+; TG(16:0/18:1/21:0)
TG 57:3; [M+NH4]+; TG(18:1/18:2/21:0)
TG 52:6; [M+NH4]+; TG(16:1/18:2/18:3)
TG 52:1; [M+Na]+; TG(16:0/18:0/18:1)
DG 30:0; [M+NH4]+; DG(14:0/16:0/0:0)
TG 56:1; [M+NH4]+; TG(16:0/18:1/22:0)
PC 38:2; [M+Na]+; GPCho(18:2(2E,4E)/20:0)
TG 54:6; [M+NH4]+; TG(18:1/18:2/18:3)
TG 60:13; [M+Na]+; TG(18:2/20:5/22:6)
DG 34:1; [M+NH4]+; DG(16:0/18:1/0:0)
TG 56:4; [M+Na]+; TG(18:1/18:2/20:1)
TG 46:1; [M+NH4]+; TG(14:0/16:0/16:1)
TG 57:1; [M+NH4]+; TG(18:0/18:1/21:0)
PC 38:2; [M+Na]+; GPCho(16:0/22:2(13Z,16Z))
PC 30:2; [M+Na]+; GPCho(15:1(9Z)/15:1(9Z))
TG 58:4; [M+NH4]+; TG(18:1/18:2/22:1)
DG 40:3; [M+NH4]+; DG(18:2/22:1/0:0)
TG 42:0; [M+NH4]+; TG(12:0/14:0/16:0)
PC 40:3; [M+Na]+; GPCho(18:2(2E,4E)/22:1(13Z))
PC 44:5; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/24:1(15Z))
PC 36:4; [M+Na]+; GPCho(18:2(2E,4E)/18:2(2E,4E))
DG 34:3; [M+NH4]+; DG(16:1/18:2/0:0)
TG 60:12; [M+Na]+; TG(18:2/20:4/22:6)
TG 53:4; [M+NH4]+; TG(17:1/18:1/18:2)
TG 48:2; [M+NH4]+; TG(14:0/16:1/18:1)
DG 34:0; [M+NH4]+; DG(16:0/18:0/0:0)
TG 52:6; [M+Na]+; TG(16:1/18:2/18:3)
PC 38:1; [M+Na]+; GPCho(26:1(5Z)/12:0)
TG 56:2; [M+Na]+; TG(18:0/18:1/20:1)
TG 56:9; [M+Na]+; TG(18:2/18:2/20:5)
TG 56:7; [M+Na]+; TG(18:1/18:2/20:4)
DG 36:1; [M+NH4]+; DG(18:0/18:1/0:0)
TG 56:9; [M+Na]+; TG(16:1/18:2/22:6)
TG 54:5; [M+Na]+; TG(18:1/18:2/18:2)
TG 58:6; [M+NH4]+; TG(18:2/18:3/22:1)
TG 62:13; [M+Na]+; TG(18:2/22:5/22:6)
PC 32:2; [M+Na]+; GPCho(16:1(7Z)/16:1(7Z))
DG 35:1; [M+NH4]+; DG(17:0/18:1/0:0)
DG 38:2; [M+NH4]+; DG(18:1/20:1/0:0)
TG 56:10; [M+Na]+; TG(18:2/18:3/20:5)
TG 54:7; [M+NH4]+; TG(18:2/18:2/18:3)
TG 54:2; [M+NH4]+; TG(16:0/18:1/20:1)
TG 53:4; [M+Na]+; TG(17:1/18:1/18:2)
PC 42:5; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/22:1(13Z))
PC 38:1; [M+Na]+; GPCho(18:0/20:1(11E))
DG 35:3; [M+NH4]+; DG(17:1/18:2/0:0)
PC 40:2; [M+Na]+; GPCho(20:1(11E)/20:1(11E))
PC 30:1; [M+Na]+; GPCho(8:0/22:1(13Z))
TG 50:0; [M+NH4]+; TG(16:0/16:0/18:0)
PC 42:2; [M+Na]+; GPCho(18:2(2E,4E)/24:0)
DG 34:2; [M+NH4]+; DG(16:0/18:2/0:0)
TG 54:6; [M+Na]+; TG(16:0/18:1/20:5)
TG 60:4; [M+Na]+; TG(18:2/20:1/22:1)
lysoPC 18:2; [M+H]+; PC(18:2(2E,4E)/0:0)
TG 58:3; [M+NH4]+; TG(18:1/18:2/22:0)
TG 58:1; [M+NH4]+; TG(18:0/18:1/22:0)
TG 58:3; [M+NH4]+; TG(18:1/20:1/20:1)
PC 40:1; [M+Na]+; GPCho(22:1(13Z)/18:0)
TG 51:1; [M+Na]+; TG(16:0/17:0/18:1)
TG 51:2; [M+NH4]+; TG(16:0/17:0/18:2)
TG 54:1; [M+NH4]+; TG(18:0/18:0/18:1)
PC 42:3; [M+Na]+; GPCho(16:1(7Z)/26:2(5E,9Z))
PC 36:2; [M+Na]+; GPCho(18:0/18:2(2E,4E))
TG 58:8; [M+NH4]+; TG(18:1/18:2/22:5)
TG 54:7; [M+Na]+; TG(18:2/18:2/18:3)
TG 58:4; [M+Na]+; TG(18:1/18:2/22:1)
PC 34:0; [M+Na]+; GPCho(17:0/17:0)
DG 42:2; [M+NH4]+; DG(18:1/24:1/0:0)
PC 38:1; [M+Na]+; GPCho(14:0/24:1(15Z))
TG 60:13; [M+NH4]+; TG(18:2/20:5/22:6)
TG 60:6; [M+NH4]+; TG(18:1/20:1/22:4)
TG 50:4; [M+NH4]+; TG(16:1/16:1/18:2)
TG 58:3; [M+Na]+; TG(18:1/20:1/20:1)
PC 33:4; [M+Na]+; GPCho(15:1(9Z)/18:3(6Z,9Z,12Z))
TG 58:5; [M+Na]+; TG(18:2/18:2/22:1)
PC 31:1; [M+Na]+; GPCho(9:0/22:1(13Z))
PC 40:2; [M+Na]+; GPCho(18:1(11E)/22:1(13Z))
PC 38:2; [M+Na]+; GPCho(18:0/20:2(11Z,14Z))
CE(16:1); [M+NH4]+; 16:1 Cholesteryl ester
TG 56:1; [M+Na]+; TG(16:0/18:1/22:0)
plasmenyl-PE 36:4; [M+H]+; PE(P-16:0/20:4(5E,8E,11E,14E))
TG 64:16; [M+NH4]+; TG(20:5/22:5/22:6)
TG 58:10; [M+Na]+; TG(18:2/18:2/22:6)
TG 50:0; [M+Na]+; TG(16:0/16:0/18:0)
PC 32:1; [M+Na]+; GPCho(16:0/16:1(7Z))
TG 56:7; [M+NH4]+; TG(16:0/18:1/22:6)
TG 57:3; [M+Na]+; TG(18:1/18:2/21:0)
TG 58:6; [M+NH4]+; TG(18:1/18:1/22:4)
PC 30:1; [M+Na]+; GPCho(15:0/15:1(9Z))
TG 60:12; [M+Na]+; TG(18:2/20:5/22:5)
CE(17:1); [M+NH4]+; 17:1 Cholesteryl ester
TG 58:5; [M+NH4]+; TG(18:0/18:1/22:4)
TG 58:5; [M+NH4]+; TG(18:1/20:1/20:3)
DG 32:1; [M+NH4]+; DG(16:0/16:1/0:0)
PC 38:1; [M+Na]+; GPCho(17:1(9Z)/21:0)
TG 56:8; [M+NH4]+; TG(16:0/18:2/22:6)
PC 30:0; [M+Na]+; GPCho(14:0/16:0)
PC 38:4; [M+Na]+; GPCho(18:0/20:4(5E,8E,11E,14E))
TG 52:4; [M+NH4]+; TG(16:1/18:1/18:2)
PC 32:1; [M+Na]+; GPCho(14:0/18:1(11E))
CE(18:1); [M+NH4]+; 18:1 Cholesteryl ester
PC 40:6; [M+Na]+; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG 55:2; [M+NH4]+; TG(18:1/18:1/19:0)
TG 52:5; [M+Na]+; TG(16:1/18:2/18:2)
TG 50:1; [M+Na]+; TG(16:0/16:0/18:1)
CE(22:5); [M+NH4]+; 22:5 Cholesteryl ester
PC 40:6; [M+Na]+; GPCho(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))
PC 31:1; [M+Na]+; GPCho(15:1(9Z)/16:0)
CE(17:0); [M+NH4]+; 17:0 Cholesteryl ester
lysoPC 20:0; [M+H]+; PC(20:0/0:0)
DG 30:1; [M+NH4]+; DG(14:0/16:1/0:0)
PC 38:1; [M+Na]+; GPCho(23:0/15:1(9Z))
PC 39:5; [M+Na]+; GPCho(17:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG 60:10; [M+Na]+; TG(18:0/20:4/22:6)
TG 56:1; [M+NH4]+; TG(16:0/20:0/20:1)
TG 50:4; [M+Na]+; TG(16:1/16:1/18:2)
TG 60:11; [M+Na]+; TG(18:1/20:4/22:6)
TG 58:7; [M+NH4]+; TG(18:1/18:1/22:5)
TG 60:7; [M+NH4]+; TG(18:1/20:1/22:5)
PC 40:1; [M+Na]+; GPCho(16:0/24:1(15Z))
PC 33:2; [M+Na]+; GPCho(15:0/18:2(2E,4E))
PC 38:1; [M+Na]+; GPCho(16:1(7Z)/22:0)
TG 54:4; [M+NH4]+; TG(18:1/18:1/18:2)
TG 56:6; [M+Na]+; TG(16:0/18:1/22:5)
CE(16:2); [M+NH4]+; 16:2 Cholesteryl ester
PC 38:1; [M+Na]+; GPCho(15:1(9Z)/23:0)
TG 60:14; [M+NH4]+; TG(18:3/20:5/22:6)
TG 54:0; [M+NH4]+; TG(16:0/18:0/20:0)
PC 34:2; [M+Na]+; GPCho(16:0/18:2(6Z,9Z))
PC 38:1; [M+Na]+; GPCho(16:0/22:1(13Z))
plasmenyl-PC 30:0; [M+Na]+; PC(P-16:0/14:0)
TG 56:5; [M+Na]+; TG(18:1/18:2/20:2)
TG 58:2; [M+Na]+; TG(16:0/20:1/22:1)
PC 38:5; [M+Na]+; GPCho(18:1(11E)/20:4(5E,8E,11E,14E))
TG 58:10; [M+NH4]+; TG(18:2/18:3/22:5)
TG 56:8; [M+Na]+; TG(18:2/18:2/20:4)
TG 50:3; [M+NH4]+; TG(16:1/16:1/18:1)
TG 52:4; [M+Na]+; TG(16:0/18:2/18:2)
CE(18:3); [M+NH4]+; 18:3 Cholesteryl ester
TG 54:8; [M+NH4]+; TG(18:2/18:3/18:3)
TG 58:11; [M+Na]+; TG(18:2/18:3/22:6)
TG 48:3; [M+NH4]+; TG(14:1/16:1/18:1)
TG 53:5; [M+NH4]+; TG(17:1/18:2/18:2)
CE(20:4); [M+NH4]+; 20:4 Cholesteryl ester
TG 53:2; [M+NH4]+; TG(17:0/18:1/18:1)
TG 52:2; [M+Na]+; TG(16:0/18:1/18:1)
DG 35:2; [M+NH4]+; DG(17:1/18:1/0:0)
DG 38:1; [M+NH4]+; DG(16:0/22:1/0:0)
lysoPC 15:0; [M+H]+; PC(15:0/0:0)
lysoPC 17:0; [M+H]+; PC(17:0/0:0)
DG 36:5; [M+NH4]+; DG(18:2/18:3/0:0)
TG 60:9; [M+Na]+; TG(18:2/20:1/22:6)
PC 35:1; [M+Na]+; GPCho(9:0/26:1(5Z))
PC 32:0; [M+Na]+; GPCho(24:0/8:0)
PC 40:4; [M+Na]+; GPCho(20:0/20:4(5E,8E,11E,14E))
TG 46:2; [M+NH4]+; TG(12:0/18:1/16:1)
TG 54:0; [M+Na]+; TG(16:0/18:0/20:0)
TG 58:8; [M+Na]+; TG(18:1/18:1/22:6)
CE(22:4); [M+NH4]+; 22:4 Cholesteryl ester
PC 32:0; [M+Na]+; GPCho(6:0/26:0)
TG 48:1; [M+NH4]+; TG(14:0/16:0/18:1)
TG 58:9; [M+NH4]+; TG(18:1/18:2/22:6)
PC 38:6; [M+Na]+; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG 49:2; [M+Na]+; TG(16:0/16:1/17:1)
PC 40:7; [M+Na]+; GPCho(18:2(2E,4E)/22:5(4Z,7Z,10Z,13Z,16Z))
DG 32:2; [M+NH4]+; DG(14:0/18:2/0:0)
DG 38:4; [M+NH4]+; DG(18:1/20:3/0:0)
PA 45:5; [M+Na2-H]+; GPA(20:5(5Z,8Z,11Z,14Z,17Z)/25:0)
TG 56:9; [M+NH4]+; TG(18:2/18:2/20:5)
TG 51:3; [M+Li]+; TG(16:1/17:0/18:2)
TG 57:5; [M+Na]+; TG(18:1/19:0/20:4)
PA 50:0; [M+Na2-H]+; GPA(24:0/26:0)
CE(20:5); [M+NH4]+; 20:5 Cholesteryl ester
TG 50:2; [M+Na]+; TG(16:0/16:1/18:1)
TG 54:7; [M+Na]+; TG(16:1/18:2/20:4)
TG 60:14; [M+Na]+; TG(18:3/20:5/22:6)
PC 40:6; [M+Na]+; GPCho(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))
TG 58:3; [M+Na]+; TG(18:1/18:2/22:0)
TG 58:11; [M+NH4]+; TG(16:0/20:5/22:6)
TG 58:2; [M+NH4]+; TG(18:0/18:2/22:0)
TG 54:6; [M+NH4]+; TG(16:0/16:0/22:6)
TG 58:11; [M+Na]+; TG(16:0/20:5/22:6)
TG 53:7; [M+NH4]+; TG(17:2/18:2/18:3)
PC 36:6; [M+Na]+; GPCho(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG 50:3; [M+NH4]+; TG(16:0/16:1/18:2)
CE(20:3); [M+NH4]+; 20:3 Cholesteryl ester
TG 55:3; [M+Na]+; TG(18:1/18:2/19:0)
TG 57:2; [M+NH4]+; TG(18:0/18:2/21:0)
TG 58:7; [M+Na]+; TG(18:0/18:1/22:6)
PC 34:3; [M+Na]+; GPCho(16:0/18:3(6Z,9Z,12Z))
PC 38:7; [M+Na]+; GPCho(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG 57:2; [M+NH4]+; TG(18:1/18:1/21:0)
plasmenyl-PC 37:0; [M+Na]+; PC(P-20:0/17:0)
TG 55:2; [M+Na]+; TG(16:0/18:2/21:0)
lysoPC 15:1; [M+H]+; PC(15:1(9Z)/0:0)
PC 38:1; [M+Na]+; GPCho(18:1(13Z)/20:0)
TG 56:6; [M+NH4]+; TG(16:0/18:1/22:5)
PC 37:1; [M+Na]+; GPCho(18:1(11E)/19:0)
PC 40:8; [M+Na]+; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG 54:8; [M+Na]+; TG(18:2/18:3/18:3)
TG 58:9; [M+NH4]+; TG(18:2/18:2/22:5)
TG 55:1; [M+Na]+; TG(16:0/18:1/21:0)
plasmenyl-PC 38:1; [M+Na]+; PC(P-16:0/22:1(13Z))
TG 52:3; [M+NH4]+; TG(16:0/18:1/18:2)
CE(16:0); [M+NH4]+; 16:0 Cholesteryl ester
PC 36:0; [M+Na]+; GPCho(18:0/18:0)
TG 58:9; [M+Na]+; TG(18:2/18:2/22:5)
DG 38:5; [M+NH4]+; DG(18:2/20:3/0:0)
CE(22:6); [M+NH4]+; 22:6 Cholesteryl ester
DG 40:2; [M+NH4]+; DG(18:2/22:0/0:0)
TG 62:9; [M+Na]+; TG(18:2/22:1/22:6)
lysoPC 20:3; [M+H]+; PC(20:3(5Z,8Z,11Z)/0:0)
PC 38:7; [M+Na]+; GPCho(18:2(2E,4E)/20:5(5Z,8Z,11Z,14Z,17Z))
TG 53:3; [M+Na]+; TG(17:0/18:1/18:2)
TG 60:8; [M+NH4]+; TG(18:2/20:1/22:5)
TG 53:6; [M+NH4]+; TG(17:2/18:2/18:2)
TG 56:3; [M+Na]+; TG(18:1/18:1/20:1)
TG 54:6; [M+NH4]+; TG(16:0/18:2/20:4)
TG 58:4; [M+Na]+; TG(16:0/20:4/22:0)
TG 56:10; [M+NH4]+; TG(18:2/18:3/20:5)
TG 60:12; [M+NH4]+; TG(18:2/20:4/22:6)
TG 51:3; [M+NH4]+; TG(16:0/17:1/18:2)
PC 37:5; [M+Na]+; GPCho(15:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC 42:9; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/22:5(7Z,10Z,13Z,16Z,19Z))
PC 38:3; [M+Na]+; GPCho(18:0/20:3(5Z,8Z,11Z))
CE 17:0; (internal standard)
D31-TAG (internal standard)
d5-DAG (internal standard)
lysoPC 17:0;[M+H]+ (internal standard)
MG 17:0; [M+NH4]+ (internal standard)
PC 17:0; [M+H]+ (internal standard)
PE 17:0; [M+H]+ (internal standard)
PG 17:0; [M+H]+ (internal standard)
SM 17:0;[M+H]+ (internal standard)
PS 17:0;[M+H]+ (internal standard)
TG 17:0 (internal standard)
METABOLITES_END
#END