#METABOLOMICS WORKBENCH cwalker_bcm_20200124_130952 DATATRACK_ID:1908 STUDY_ID:ST001313 ANALYSIS_ID:AN002186 PROJECT_ID:PR000892
VERSION             	1
CREATED_ON             	February 2, 2020, 7:24 pm
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic profiling after early-life exposure to an endocrine disrupting
PR:PROJECT_TITLE                 	chemical in serum after Western Diet challenge.
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 under a Western Diet.
PR:INSTITUTE                     	Baylor College of Medicine
PR:LAST_NAME                     	Walker
PR:FIRST_NAME                    	Cheryl
PR:ADDRESS                       	1 Baylor Plaza, Houston, TX, 77030, USA
PR:EMAIL                         	Cheryl.walker@bcm.edu
PR:PHONE                         	713-798-8219
#STUDY
ST:STUDY_TITLE                   	Lipid expression in serum after early life exposure to an endocrine disruptor
ST:STUDY_TITLE                   	and a Western Diet at 240 days postnatal (part-IV)
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, Houston, TX, 77030, USA
ST:EMAIL                         	Cheryl.walker@bcm.edu
ST:PHONE                         	713-798-8219
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              	240 days
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
SU:ANIMAL_FEED                   	Phytoestrogen Reduced II 18-5 (Ziegler Bros, Inc) or D09100301 (Research Diets,
SU:ANIMAL_FEED                   	Inc)
#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           	-	HFB1	Treatment:BPA	Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFB2	Treatment:BPA	Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFB3	Treatment:BPA	Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFB4	Treatment:BPA	Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFB5	Treatment:BPA	Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFV1	Treatment:vehicle	Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFV2	Treatment:vehicle	Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFV3	Treatment:vehicle	Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFV4	Treatment:vehicle	Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
SUBJECT_SAMPLE_FACTORS           	-	HFV5	Treatment:vehicle	Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days.
#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. At day
TR:TREATMENT_SUMMARY             	180, adult rats in both treatment groups were fed a diet high in fat (40% kcal),
TR:TREATMENT_SUMMARY             	fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days
TR:TREATMENT_SUMMARY             	(D09100301, Research Diets, Inc). Rats were fasted overnight prior to tissue
TR:TREATMENT_SUMMARY             	collection.
#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.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	unbiased.serum.MS.method.pdf
#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	HFB1	HFB2	HFB3	HFB4	HFB5	HFV1	HFV2	HFV3	HFV4	HFV5
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)	358897	348495	335732	341657	298189	439701	410833	502134	450809	455589
TG 56:0; [M+NH4]+; TG(16:0/18:0/22:0)	2992	5257	3910	856	3621	3156	1133	1153	2856	3003
TG 58:9; [M+Na]+; TG(18:1/18:2/22:6)	90753	83411	70829	51833	54128	56330	56138	76119	54880	61338
TG 56:4; [M+NH4]+; TG(18:1/18:2/20:1)	249751	255385	200977	136076	178127	169219	148982	117348	149251	151674
TG 53:1; [M+NH4]+; TG(17:0/18:0/18:1)	17366	19820	15902	11383	14609	10590	12862	18869	18713	12912
DG 40:2; [M+NH4]+; DG(18:1/22:1/0:0)	1797	1435	549	584	1268	612	255	431	139	328
TG 56:8; [M+Na]+; TG(16:0/18:2/22:6)	103306	154624	93284	146768	140768	164836	57421	201218	141707	110738
PC 42:3; [M+Na]+; GPCho(18:2(2E,4E)/24:1(15Z))	1656	1786	1447	1059	1442	1733	1298	904	445	986
PC 40:2; [M+Na]+; GPCho(18:2(2E,4E)/22:0)	3231	1401	1841	1066	1519	1487	1784	1492	2299	1200
TG 50:3; [M+Na]+; TG(16:0/16:1/18:2)	97594	61609	51372	71236	57082	75424	44873	93179	75824	67702
TG 54:7; [M+Na]+; TG(16:0/18:2/20:5)	149950	81386	69803	52580	47740	67933	38563	76420	47601	76242
PC 36:1; [M+Na]+; GPCho(12:0/24:1(15Z))	1529	1342	1462	585	977	1302	1891	561	749	481
TG 56:7; [M+Na]+; TG(16:0/18:1/22:6)	229350	263204	205758	142712	118631	176122	132540	99968	69419	79525
TG 55:1; [M+NH4]+; TG(16:0/18:1/21:0)	19747	32661	13248	7014	16976	9116	10311	4107	13878	7283
TG 57:3; [M+NH4]+; TG(18:1/18:2/21:0)	48013	62320	59370	44889	43462	46429	48485	56513	47206	38593
TG 52:6; [M+NH4]+; TG(16:1/18:2/18:3)	299977	293497	218635	195861	169546	170001	91847	189772	128290	162639
TG 52:1; [M+Na]+; TG(16:0/18:0/18:1)	196154	181561	122126	111199	126759	136679	105333	126750	153654	136438
DG 30:0; [M+NH4]+; DG(14:0/16:0/0:0)	1161	1898	824	721	1869	549	506	527	559	1218
TG 56:1; [M+NH4]+; TG(16:0/18:1/22:0)	15421	20270	8547	6790	15877	10059	9918	4152	7429	7027
PC 38:2; [M+Na]+; GPCho(18:2(2E,4E)/20:0)	5337	3770	5396	3933	4823	4969	5448	5538	2246	3884
TG 54:6; [M+NH4]+; TG(18:1/18:2/18:3)	1271554	1869795	1393450	1033028	1110376	1032974	594351	531055	746686	951752
TG 60:13; [M+Na]+; TG(18:2/20:5/22:6)	2246	1902	2080	2474	2838	2384	731	2059	1383	3056
DG 34:1; [M+NH4]+; DG(16:0/18:1/0:0)	103537	102560	87004	52554	87314	57438	40834	54340	46539	75860
TG 56:4; [M+Na]+; TG(18:1/18:2/20:1)	99958	77487	79851	65138	63891	90948	79487	86329	75998	78973
TG 46:1; [M+NH4]+; TG(14:0/16:0/16:1)	18508	24112	12926	6856	10684	9410	5073	13595	11524	11676
TG 57:1; [M+NH4]+; TG(18:0/18:1/21:0)	4045	3592	1754	2447	4248	2022	1477	592	3570	2006
PC 38:2; [M+Na]+; GPCho(16:0/22:2(13Z,16Z))	4761	4452	3110	4185	5656	3987	8166	5591	2827	4304
PC 30:2; [M+Na]+; GPCho(15:1(9Z)/15:1(9Z))	1379	2461	1127	1663	785	1974	1841	1819	979	1019
TG 58:4; [M+NH4]+; TG(18:1/18:2/22:1)	21521	26444	13259	12612	19681	14630	13906	10642	10486	15904
DG 40:3; [M+NH4]+; DG(18:2/22:1/0:0)	549	449	1061	709	1075	183	473	376	437	652
TG 42:0; [M+NH4]+; TG(12:0/14:0/16:0)	1451	4289	1398	1075	1493	691	199	582	842	559
PC 40:3; [M+Na]+; GPCho(18:2(2E,4E)/22:1(13Z))	2685	26666	17021	6594	9221	6758	4762	5364	7016	6464
PC 44:5; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/24:1(15Z))	1508	2572	3183	2175	6973	3458	2983	2134	4262	4346
PC 36:4; [M+Na]+; GPCho(18:2(2E,4E)/18:2(2E,4E))	1021693	1466699	926479	640111	839555	621173	341226	605160	456489	583018
DG 34:3; [M+NH4]+; DG(16:1/18:2/0:0)	64843	43884	50242	25527	44319	43516	18362	41132	25556	49952
TG 60:12; [M+Na]+; TG(18:2/20:4/22:6)	9287	7711	10441	6482	6530	7096	3318	8668	5348	9806
TG 53:4; [M+NH4]+; TG(17:1/18:1/18:2)	74439	89811	69872	62840	51638	58692	43821	52841	39225	54339
TG 48:2; [M+NH4]+; TG(14:0/16:1/18:1)	151520	129378	82906	73106	69553	68494	47430	114740	72950	88685
DG 34:0; [M+NH4]+; DG(16:0/18:0/0:0)	39886	39242	34939	25417	35207	29967	28077	38720	22199	22437
TG 52:6; [M+Na]+; TG(16:1/18:2/18:3)	99928	75991	61477	58753	53484	69318	30699	64883	47006	59823
PC 38:1; [M+Na]+; GPCho(26:1(5Z)/12:0)	28354	34018	20984	13866	20427	17380	7159	13882	8805	12469
TG 56:2; [M+Na]+; TG(18:0/18:1/20:1)	70777	65894	54171	41531	64090	47968	45345	25609	47642	41479
TG 56:9; [M+Na]+; TG(18:2/18:2/20:5)	71907	61222	49885	45381	40662	45475	28382	48109	35343	53596
TG 56:7; [M+Na]+; TG(18:1/18:2/20:4)	150612	116404	107503	173245	104878	129898	90489	136552	93065	116719
DG 36:1; [M+NH4]+; DG(18:0/18:1/0:0)	19466	25344	16474	10709	18356	11289	9506	10450	10514	13299
TG 56:9; [M+Na]+; TG(16:1/18:2/22:6)	63916	46315	40707	38615	33712	35283	22925	43815	32579	45484
TG 54:5; [M+Na]+; TG(18:1/18:2/18:2)	375638	330210	328857	330539	293465	396806	384836	310622	344485	361332
TG 58:6; [M+NH4]+; TG(18:2/18:3/22:1)	6306	6483	8294	5307	3600	5923	1567	2964	2424	3591
TG 62:13; [M+Na]+; TG(18:2/22:5/22:6)	2713	2240	1794	559	1403	2421	1263	1803	2098	2300
PC 32:2; [M+Na]+; GPCho(16:1(7Z)/16:1(7Z))	31527	25552	44051	14472	49955	13370	9357	12729	10093	15097
DG 35:1; [M+NH4]+; DG(17:0/18:1/0:0)	2520	898	2359	350	935	453	578	853	521	1473
DG 38:2; [M+NH4]+; DG(18:1/20:1/0:0)	6406	6169	9276	5821	8139	3554	4054	4154	3238	5412
TG 56:10; [M+Na]+; TG(18:2/18:3/20:5)	10612	8047	8476	8457	9109	6600	5867	7910	6379	7488
TG 54:7; [M+NH4]+; TG(18:2/18:2/18:3)	468685	314401	223208	223386	175792	213615	102724	219590	133585	234882
TG 54:2; [M+NH4]+; TG(16:0/18:1/20:1)	500609	764337	392164	268903	353860	248966	276656	195587	310235	265775
TG 53:4; [M+Na]+; TG(17:1/18:1/18:2)	15872	13722	10251	10444	7340	13942	10430	10303	10940	13395
PC 42:5; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/22:1(13Z))	1063	2316	3250	1319	2358	1934	2239	1092	1721	1464
PC 38:1; [M+Na]+; GPCho(18:0/20:1(11E))	31986	33584	22690	14347	19483	17797	2623	14211	11916	13972
DG 35:3; [M+NH4]+; DG(17:1/18:2/0:0)	2353	2935	2723	1569	929	1824	366	1161	1114	1972
PC 40:2; [M+Na]+; GPCho(20:1(11E)/20:1(11E))	3467	6194	4035	1450	3853	2947	1942	1718	1684	1779
PC 30:1; [M+Na]+; GPCho(8:0/22:1(13Z))	6288	5937	3605	3892	3764	6705	5533	6305	9311	2428
TG 50:0; [M+NH4]+; TG(16:0/16:0/18:0)	87064	97034	68137	44814	70162	78165	47221	55979	51332	57867
PC 42:2; [M+Na]+; GPCho(18:2(2E,4E)/24:0)	1810	1123	964	1179	704	691	1103	590	1581	461
DG 34:2; [M+NH4]+; DG(16:0/18:2/0:0)	213648	196745	188426	132579	149010	144305	91662	142008	102245	186456
TG 54:6; [M+Na]+; TG(16:0/18:1/20:5)	321120	174398	282908	242702	239947	172948	178051	160088	144833	257725
TG 60:4; [M+Na]+; TG(18:2/20:1/22:1)	13719	9786	10761	7601	11449	8419	8835	4801	9624	7524
lysoPC 18:2; [M+H]+; PC(18:2(2E,4E)/0:0)	23907	22850	40867	39147	33135	22381	28688	50538	25601	19710
TG 58:3; [M+NH4]+; TG(18:1/18:2/22:0)	21864	19728	18822	12818	29698	12759	14617	6773	12862	14232
TG 58:1; [M+NH4]+; TG(18:0/18:1/22:0)	7946	7953	1602	2256	4863	4139	3592	1278	3133	2420
TG 58:3; [M+NH4]+; TG(18:1/20:1/20:1)	21853	21399	16262	14074	28797	11918	14851	7476	13994	15309
PC 40:1; [M+Na]+; GPCho(22:1(13Z)/18:0)	4419	4380	3453	2229	3425	2917	1458	1766	995	1723
TG 51:1; [M+Na]+; TG(16:0/17:0/18:1)	9631	10464	7349	7614	8966	10858	8549	9525	11468	11066
TG 51:2; [M+NH4]+; TG(16:0/17:0/18:2)	2480	1843	785	1081	1388	371	320	1785	472	858
TG 54:1; [M+NH4]+; TG(18:0/18:0/18:1)	95491	148097	63903	43171	81360	59762	40815	30812	55773	41048
PC 42:3; [M+Na]+; GPCho(16:1(7Z)/26:2(5E,9Z))	1261	1021	1005	595	1008	1339	569	365	1385	1000
PC 36:2; [M+Na]+; GPCho(18:0/18:2(2E,4E))	2387	15108	255253	2669	944	48866	14943	84453	11119	289
TG 58:8; [M+NH4]+; TG(18:1/18:2/22:5)	119664	301503	151186	85716	104130	74119	80715	85047	60901	96331
TG 54:7; [M+Na]+; TG(18:2/18:2/18:3)	91214	79155	71095	57723	48838	63480	38658	75376	47549	72161
TG 58:4; [M+Na]+; TG(18:1/18:2/22:1)	13183	9261	6771	13901	10557	12027	10820	4549	6578	9467
PC 34:0; [M+Na]+; GPCho(17:0/17:0)	126752	127910	129464	104086	108661	121753	118727	122494	138466	133038
DG 42:2; [M+NH4]+; DG(18:1/24:1/0:0)	3750	3869	2963	1427	2593	5015	1532	1401	918	2710
PC 38:1; [M+Na]+; GPCho(14:0/24:1(15Z))	17927	16590	11580	13529	16059	18072	16194	16584	11691	7756
TG 60:13; [M+NH4]+; TG(18:2/20:5/22:6)	5057	3965	3383	4845	4096	2807	2136	3603	3473	2493
TG 60:6; [M+NH4]+; TG(18:1/20:1/22:4)	1979	4474	1638	1887	2884	3931	2121	2632	1497	3630
TG 50:4; [M+NH4]+; TG(16:1/16:1/18:2)	500396	418068	286170	273212	210435	274242	129780	334608	185819	264889
TG 58:3; [M+Na]+; TG(18:1/20:1/20:1)	32551	30205	22433	20373	27273	22627	21472	10111	21417	19961
PC 33:4; [M+Na]+; GPCho(15:1(9Z)/18:3(6Z,9Z,12Z))	5083	7476	5745	5087	4999	5459	3394	3762	5037	2434
TG 58:5; [M+Na]+; TG(18:2/18:2/22:1)	21558	18291	17043	10316	12243	15121	10434	11311	12684	13632
PC 31:1; [M+Na]+; GPCho(9:0/22:1(13Z))	65126	104162	84492	76679	73931	69593	60946	75954	83651	67264
PC 40:2; [M+Na]+; GPCho(18:1(11E)/22:1(13Z))	4187	5308	11214	2915	6653	4307	1074	1962	2031	1116
PC 38:2; [M+Na]+; GPCho(18:0/20:2(11Z,14Z))	22823	371994	201013	12076	89216	14057	75891	71513	55255	12168
CE(16:1); [M+NH4]+; 16:1 Cholesteryl ester	27104	15012	19715	14845	17831	10192	5251	9591	14621	8139
TG 56:1; [M+Na]+; TG(16:0/18:1/22:0)	25294	29060	16881	13181	21361	24100	14854	7430	18353	16118
plasmenyl-PE 36:4; [M+H]+; PE(P-16:0/20:4(5E,8E,11E,14E))	27483	20353	21850	22681	21112	28475	36102	35466	25773	25909
TG 64:16; [M+NH4]+; TG(20:5/22:5/22:6)	200	662	566	190	332	196	316	86	244	338
TG 58:10; [M+Na]+; TG(18:2/18:2/22:6)	57302	55405	52610	35309	35825	39406	29153	49637	28812	46783
TG 50:0; [M+Na]+; TG(16:0/16:0/18:0)	46942	60748	43883	29508	35456	52321	41672	53498	40716	49096
PC 32:1; [M+Na]+; GPCho(16:0/16:1(7Z))	412731	388501	211406	118052	211229	112313	43730	167413	94658	89025
TG 56:7; [M+NH4]+; TG(16:0/18:1/22:6)	748943	641628	776157	351711	527062	553432	249140	377254	262618	367574
TG 57:3; [M+Na]+; TG(18:1/18:2/21:0)	7429	7291	4525	3398	5398	4470	3505	3753	4776	6030
TG 58:6; [M+NH4]+; TG(18:1/18:1/22:4)	58316	71863	67504	31764	40369	43856	33556	35191	33213	30539
PC 30:1; [M+Na]+; GPCho(15:0/15:1(9Z))	4658	4204	2701	2793	2526	5205	4310	4487	2499	4101
TG 60:12; [M+Na]+; TG(18:2/20:5/22:5)	9320	9413	8660	7532	5766	7066	4678	7137	4376	4809
CE(17:1); [M+NH4]+; 17:1 Cholesteryl ester	3920	2550	2742	2460	2145	1609	926	1727	1072	1015
TG 58:5; [M+NH4]+; TG(18:0/18:1/22:4)	23633	48360	22292	14062	9931	15729	9850	6729	13694	10619
TG 58:5; [M+NH4]+; TG(18:1/20:1/20:3)	23575	25232	21922	11356	10922	7620	9458	6976	6463	9446
DG 32:1; [M+NH4]+; DG(16:0/16:1/0:0)	8977	5223	4178	5403	4746	3149	2395	5489	3889	6763
PC 38:1; [M+Na]+; GPCho(17:1(9Z)/21:0)	5109	3628	1470	2011	1916	3113	2249	1492	2315	1979
TG 56:8; [M+NH4]+; TG(16:0/18:2/22:6)	612947	814752	280354	421193	419928	259089	283223	476611	335709	514049
PC 30:0; [M+Na]+; GPCho(14:0/16:0)	16043	10323	15205	10759	14666	10885	5131	7947	14227	5378
PC 38:4; [M+Na]+; GPCho(18:0/20:4(5E,8E,11E,14E))	1874227	2087622	1701381	1746642	1736835	1629495	1021206	1714791	1345033	1868309
TG 52:4; [M+NH4]+; TG(16:1/18:1/18:2)	151072	137318	134225	145264	105363	146971	101992	156432	113363	147759
PC 32:1; [M+Na]+; GPCho(14:0/18:1(11E))	414503	389195	210665	116933	207023	111286	44773	167789	93176	89179
CE(18:1); [M+NH4]+; 18:1 Cholesteryl ester	1804	1539	4234	1195	2873	1175	1547	711	2047	374
PC 40:6; [M+Na]+; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	13862	17606	13488	16754	10531	16237	11855	15613	13224	19582
TG 55:2; [M+NH4]+; TG(18:1/18:1/19:0)	7632	6840	10150	4943	4559	4551	3494	4655	4027	5123
TG 52:5; [M+Na]+; TG(16:1/18:2/18:2)	295380	235521	176501	178783	139218	193489	123232	233530	183549	208838
TG 50:1; [M+Na]+; TG(16:0/16:0/18:1)	142677	158341	103998	93433	87498	116605	102010	133534	108226	137939
CE(22:5); [M+NH4]+; 22:5 Cholesteryl ester	3356	4537	3520	4830	5885	6346	3709	6172	3606	4137
PC 40:6; [M+Na]+; GPCho(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	24268	25285	15480	27685	15785	23790	19926	24885	24231	25827
PC 31:1; [M+Na]+; GPCho(15:1(9Z)/16:0)	84628	124037	124171	104375	103515	92201	74623	93774	103360	82879
CE(17:0); [M+NH4]+; 17:0 Cholesteryl ester	5197	1723	4000	2641	2168	3107	326	1149	1722	1086
lysoPC 20:0; [M+H]+; PC(20:0/0:0)	16319	8531	13113	3748	15680	6497	12651	8634	4516	6016
DG 30:1; [M+NH4]+; DG(14:0/16:1/0:0)	1139	289	570	279	468	536	284	492	827	526
PC 38:1; [M+Na]+; GPCho(23:0/15:1(9Z))	8249	6238	3544	2758	3310	7348	5179	3897	5859	3409
PC 39:5; [M+Na]+; GPCho(17:0/22:5(4Z,7Z,10Z,13Z,16Z))	22650	21812	23599	15563	19116	12194	10198	13005	15651	15734
TG 60:10; [M+Na]+; TG(18:0/20:4/22:6)	8626	8431	11471	6483	11047	7683	2778	8579	7792	4963
TG 56:1; [M+NH4]+; TG(16:0/20:0/20:1)	14809	20116	11284	6824	15775	11888	8894	4338	7976	6303
TG 50:4; [M+Na]+; TG(16:1/16:1/18:2)	85075	59351	48091	51606	39963	58440	37131	75735	47900	58952
TG 60:11; [M+Na]+; TG(18:1/20:4/22:6)	6886	20849	8991	8719	10686	4283	3668	10742	6145	6481
TG 58:7; [M+NH4]+; TG(18:1/18:1/22:5)	96603	92974	88839	54839	92268	77791	41118	61537	45942	44148
TG 60:7; [M+NH4]+; TG(18:1/20:1/22:5)	6234	3485	2912	2365	4177	2613	1447	3052	1834	910
PC 40:1; [M+Na]+; GPCho(16:0/24:1(15Z))	4530	4276	3381	1963	3392	3035	1593	1786	875	1971
PC 33:2; [M+Na]+; GPCho(15:0/18:2(2E,4E))	80853	58412	77799	58453	72939	63090	28207	42076	69285	36190
PC 38:1; [M+Na]+; GPCho(16:1(7Z)/22:0)	7732	7536	4630	3338	7214	4524	2981	10539	5822	7186
TG 54:4; [M+NH4]+; TG(18:1/18:1/18:2)	1803950	2565884	2346266	1524417	2085284	1429928	1587582	1155783	1102762	1341351
TG 56:6; [M+Na]+; TG(16:0/18:1/22:5)	124309	145546	123272	88756	99868	132012	114013	138454	107859	115840
CE(16:2); [M+NH4]+; 16:2 Cholesteryl ester	2671	718	2186	1965	4382	1162	288	1449	2341	874
PC 38:1; [M+Na]+; GPCho(15:1(9Z)/23:0)	8471	8313	4893	6917	7485	4691	2982	11677	5844	7576
TG 60:14; [M+NH4]+; TG(18:3/20:5/22:6)	300	292	922	456	335	653	651	1097	515	382
TG 54:0; [M+NH4]+; TG(16:0/18:0/20:0)	20661	17506	16009	7159	17813	43174	31445	16260	23558	19483
PC 34:2; [M+Na]+; GPCho(16:0/18:2(6Z,9Z))	4323	4740	4220	57071	5525	5649	6359	4823	5496	3742
PC 38:1; [M+Na]+; GPCho(16:0/22:1(13Z))	6149	7288	2469	5083	3386	4167	2980	8175	7637	6351
plasmenyl-PC 30:0; [M+Na]+; PC(P-16:0/14:0)	1154	590	577	587	626	726	289	488	448	517
TG 56:5; [M+Na]+; TG(18:1/18:2/20:2)	109168	74530	95969	103078	79632	96832	95373	101579	89081	104627
TG 58:2; [M+Na]+; TG(16:0/20:1/22:1)	29163	22074	21559	17223	27886	20365	20962	10881	16044	16507
PC 38:5; [M+Na]+; GPCho(18:1(11E)/20:4(5E,8E,11E,14E))	37725	159943	69794	71544	62435	511193	45307	504105	459283	576887
TG 58:10; [M+NH4]+; TG(18:2/18:3/22:5)	25525	24936	20373	20662	20532	22291	12938	22265	15490	25509
TG 56:8; [M+Na]+; TG(18:2/18:2/20:4)	57122	154090	97839	69786	110768	54300	70981	57022	42618	71425
TG 50:3; [M+NH4]+; TG(16:1/16:1/18:1)	950054	807562	544228	558732	478412	522317	281652	682093	420694	527978
TG 52:4; [M+Na]+; TG(16:0/18:2/18:2)	390459	364406	312989	359322	308418	445314	389582	439191	425391	467841
CE(18:3); [M+NH4]+; 18:3 Cholesteryl ester	9073	10792	9281	3327	7349	10606	4889	3714	2034	3294
TG 54:8; [M+NH4]+; TG(18:2/18:3/18:3)	98425	95718	69644	63457	57893	54027	26881	67140	39077	57690
TG 58:11; [M+Na]+; TG(18:2/18:3/22:6)	12256	9530	15060	7168	10652	9284	5856	7733	6983	6587
TG 48:3; [M+NH4]+; TG(14:1/16:1/18:1)	111810	98496	62400	48737	47901	51209	29224	71889	42787	49672
TG 53:5; [M+NH4]+; TG(17:1/18:2/18:2)	44637	41817	50758	27466	40612	31545	22512	29469	25441	41628
CE(20:4); [M+NH4]+; 20:4 Cholesteryl ester	317570	504596	351237	278740	312524	324355	283967	391831	250796	232375
TG 53:2; [M+NH4]+; TG(17:0/18:1/18:1)	3915	4064	2833	1287	2500	3509	863	1200	2090	1948
TG 52:2; [M+Na]+; TG(16:0/18:1/18:1)	17662	28184	14977	8289	24977	21197	9942	7096	11123	9514
DG 35:2; [M+NH4]+; DG(17:1/18:1/0:0)	5003	2913	2715	2598	1363	1987	1075	1696	1552	1012
DG 38:1; [M+NH4]+; DG(16:0/22:1/0:0)	1380	1953	2071	1007	2617	1943	909	231	1120	799
lysoPC 15:0; [M+H]+; PC(15:0/0:0)	35109	18978	27125	11394	17241	22532	45264	11871	32251	29155
lysoPC 17:0; [M+H]+; PC(17:0/0:0)	14016	15581	20663	14057	9817	23192	49370	7636	8324	10094
DG 36:5; [M+NH4]+; DG(18:2/18:3/0:0)	39991	34828	47889	38779	43003	34042	17675	32698	23177	45521
TG 60:9; [M+Na]+; TG(18:2/20:1/22:6)	3756	7772	5604	5989	3329	7309	2640	5013	5805	4623
PC 35:1; [M+Na]+; GPCho(9:0/26:1(5Z))	3015	4947	3044	1813	5077	3235	1160	3118	1770	670
PC 32:0; [M+Na]+; GPCho(24:0/8:0)	4164	7922	7891	8164	6479	5261	8338	3768	7005	7081
PC 40:4; [M+Na]+; GPCho(20:0/20:4(5E,8E,11E,14E))	2722	3395	4155	1803	2576	1750	2445	1716	1130	2347
TG 46:2; [M+NH4]+; TG(12:0/18:1/16:1)	28230	33859	16934	11969	13877	11389	10893	14825	11123	14671
TG 54:0; [M+Na]+; TG(16:0/18:0/20:0)	14377	18178	8720	12300	11699	10539	9137	6416	10233	8036
TG 58:8; [M+Na]+; TG(18:1/18:1/22:6)	49019	58434	57649	56626	43263	52195	33429	47999	28772	49054
CE(22:4); [M+NH4]+; 22:4 Cholesteryl ester	7012	4354	7475	5169	6429	2409	2996	4239	4471	2426
PC 32:0; [M+Na]+; GPCho(6:0/26:0)	22533	15289	22296	20711	23282	14477	21659	19303	22179	21442
TG 48:1; [M+NH4]+; TG(14:0/16:0/18:1)	128677	125892	81473	61271	74229	56449	42305	83058	58820	63409
TG 58:9; [M+NH4]+; TG(18:1/18:2/22:6)	213843	267363	198082	147692	194962	162399	136730	106449	119711	144137
PC 38:6; [M+Na]+; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	12409	12682	11139	7049	13224	7992	7276	5744	5305	6611
TG 49:2; [M+Na]+; TG(16:0/16:1/17:1)	4662	5081	3830	3596	1850	5730	3456	3009	2316	4087
PC 40:7; [M+Na]+; GPCho(18:2(2E,4E)/22:5(4Z,7Z,10Z,13Z,16Z))	164086	402054	222350	108872	172035	101357	77942	102672	76813	120757
DG 32:2; [M+NH4]+; DG(14:0/18:2/0:0)	9896	5108	7343	5899	5435	6468	1625	8029	3070	6036
DG 38:4; [M+NH4]+; DG(18:1/20:3/0:0)	15824	13557	12032	7906	14851	7082	4672	8281	6400	12809
PA 45:5; [M+Na2-H]+; GPA(20:5(5Z,8Z,11Z,14Z,17Z)/25:0)	5957	3513	2291	561	2961	8161	4575	2997	3789	2329
TG 56:9; [M+NH4]+; TG(18:2/18:2/20:5)	164364	182740	145979	125291	130989	119653	75272	115246	84182	123284
TG 51:3; [M+Li]+; TG(16:1/17:0/18:2)	84301	56537	53472	49863	36092	54144	34693	74369	45069	55488
TG 57:5; [M+Na]+; TG(18:1/19:0/20:4)	2522	1454	1860	861	1373	1520	1134	2469	1794	1570
PA 50:0; [M+Na2-H]+; GPA(24:0/26:0)	11574	14335	10442	9813	12494	14350	12249	14399	9825	10304
CE(20:5); [M+NH4]+; 20:5 Cholesteryl ester	20240	7353	11811	12781	16977	14614	13192	10086	13411	12791
TG 50:2; [M+Na]+; TG(16:0/16:1/18:1)	111636	79179	53702	60400	56823	88692	62937	94340	70864	74150
TG 54:7; [M+Na]+; TG(16:1/18:2/20:4)	87695	71872	66014	50097	42303	58713	38551	68232	45628	67878
TG 60:14; [M+Na]+; TG(18:3/20:5/22:6)	280	140	275	269	340	282	394	192	197	851
PC 40:6; [M+Na]+; GPCho(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z))	17427	26934	21389	18981	19303	23175	15642	16845	20191	24769
TG 58:3; [M+Na]+; TG(18:1/18:2/22:0)	29473	32182	25988	15484	31103	23359	26444	11129	19738	21748
TG 58:11; [M+NH4]+; TG(16:0/20:5/22:6)	14107	19796	18139	12518	16986	9538	6332	5498	8245	11006
TG 58:2; [M+NH4]+; TG(18:0/18:2/22:0)	16094	21124	8893	10424	17247	15589	10873	4570	11646	7303
TG 54:6; [M+NH4]+; TG(16:0/16:0/22:6)	4252	4101	3358	3518	2818	3305	2093	3265	4139	1573
TG 58:11; [M+Na]+; TG(16:0/20:5/22:6)	13693	8236	13531	8215	9192	9315	4525	8121	8545	10334
TG 53:7; [M+NH4]+; TG(17:2/18:2/18:3)	73676	46149	37730	23519	60190	32015	55130	26307	28685	29672
PC 36:6; [M+Na]+; GPCho(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	5733	7823	3067	3191	5110	3689	1833	3493	2650	4289
TG 50:3; [M+NH4]+; TG(16:0/16:1/18:2)	94555	56941	49932	51935	37335	56616	27872	76482	46704	60524
CE(20:3); [M+NH4]+; 20:3 Cholesteryl ester	35081	33527	36966	32445	35412	31809	26538	31350	22904	20838
TG 55:3; [M+Na]+; TG(18:1/18:2/19:0)	22474	15257	13506	11177	12451	18333	12645	13749	16789	15252
TG 57:2; [M+NH4]+; TG(18:0/18:2/21:0)	24415	34000	18111	19660	24155	15257	13796	12937	18945	15153
TG 58:7; [M+Na]+; TG(18:0/18:1/22:6)	23288	19871	32446	18992	14037	30087	16242	23434	24043	22398
PC 34:3; [M+Na]+; GPCho(16:0/18:3(6Z,9Z,12Z))	154509	110570	173737	121491	142818	112913	60276	98401	135321	70250
PC 38:7; [M+Na]+; GPCho(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	15436	25924	20035	12789	16785	13153	6543	14192	11744	9040
TG 57:2; [M+NH4]+; TG(18:1/18:1/21:0)	23883	33478	17710	18046	22302	13469	12548	11136	17648	13628
plasmenyl-PC 37:0; [M+Na]+; PC(P-20:0/17:0)	2382	2270	3152	822	1105	2085	1709	919	1328	1340
TG 55:2; [M+Na]+; TG(16:0/18:2/21:0)	11391	7528	7672	6168	6070	8169	7448	7865	7341	10301
lysoPC 15:1; [M+H]+; PC(15:1(9Z)/0:0)	14747	12783	11853	6229	8482	20429	11469	6871	8039	15505
PC 38:1; [M+Na]+; GPCho(18:1(13Z)/20:0)	8583	12643	12009	5949	14766	7252	6002	4626	5298	3723
TG 56:6; [M+NH4]+; TG(16:0/18:1/22:5)	30965	27340	24522	19846	17348	24103	14873	12892	12699	21352
PC 37:1; [M+Na]+; GPCho(18:1(11E)/19:0)	2687	573	587	1046	1271	575	1243	840	1732	254
PC 40:8; [M+Na]+; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	12150	16711	24396	15305	12111	9075	4079	10152	9696	9173
TG 54:8; [M+Na]+; TG(18:2/18:3/18:3)	36841	34096	30398	25394	27531	28274	15193	26245	24389	20614
TG 58:9; [M+NH4]+; TG(18:2/18:2/22:5)	191662	276528	199973	145316	178815	142586	127629	154080	118456	147459
TG 55:1; [M+Na]+; TG(16:0/18:1/21:0)	6959	8195	4405	1829	4991	4343	2866	1136	2290	4370
plasmenyl-PC 38:1; [M+Na]+; PC(P-16:0/22:1(13Z))	16880	12823	15743	10781	10457	11147	13492	8444	5351	11068
TG 52:3; [M+NH4]+; TG(16:0/18:1/18:2)	2358122	2135863	1589603	1359675	1195555	1614669	1075049	1860231	1222202	1460546
CE(16:0); [M+NH4]+; 16:0 Cholesteryl ester	6751	4912	6395	5864	6018	7351	7463	10320	8425	5286
PC 36:0; [M+Na]+; GPCho(18:0/18:0)	8550	48563	35294	7111	38735	33435	5813	7568	5942	7197
TG 58:9; [M+Na]+; TG(18:2/18:2/22:5)	80940	71050	62837	48723	63012	51429	44192	60385	49939	64467
DG 38:5; [M+NH4]+; DG(18:2/20:3/0:0)	37895	45575	54980	29353	32224	25993	12457	25593	19478	35943
CE(22:6); [M+NH4]+; 22:6 Cholesteryl ester	2176	1082	419	539	404	439	1925	2096	622	2049
DG 40:2; [M+NH4]+; DG(18:2/22:0/0:0)	1288	564	822	882	673	850	192	483	575	306
TG 62:9; [M+Na]+; TG(18:2/22:1/22:6)	1472	1344	560	1164	573	712	1096	446	1269	1002
lysoPC 20:3; [M+H]+; PC(20:3(5Z,8Z,11Z)/0:0)	4492	4668	2909	1240	4707	3323	2259	6344	3023	3607
PC 38:7; [M+Na]+; GPCho(18:2(2E,4E)/20:5(5Z,8Z,11Z,14Z,17Z))	11910	27609	14596	8400	9275	12349	6012	9089	6552	13098
TG 53:3; [M+Na]+; TG(17:0/18:1/18:2)	16251	15359	8848	9603	9932	11797	2833	14073	9681	7324
TG 60:8; [M+NH4]+; TG(18:2/20:1/22:5)	12274	13439	14996	3308	6573	8621	6658	2541	3056	7323
TG 53:6; [M+NH4]+; TG(17:2/18:2/18:2)	70507	87844	57218	41688	54785	65107	46489	37439	43039	72472
TG 56:3; [M+Na]+; TG(18:1/18:1/20:1)	68969	52353	59191	49367	48948	36540	48083	35872	48536	54842
TG 54:6; [M+NH4]+; TG(16:0/18:2/20:4)	1258992	1843710	1374247	1019441	1060077	1029442	582685	523119	729665	951471
TG 58:4; [M+Na]+; TG(16:0/20:4/22:0)	9683	8621	6390	5732	9477	6165	9285	7372	5362	6242
TG 56:10; [M+NH4]+; TG(18:2/18:3/20:5)	22264	22641	20351	15359	14496	13606	5708	7795	9454	12873
TG 60:12; [M+NH4]+; TG(18:2/20:4/22:6)	21593	26473	21136	14377	13310	13335	7326	12153	5748	17887
TG 51:3; [M+NH4]+; TG(16:0/17:1/18:2)	118195	147156	89252	72373	77405	72855	65271	87156	64823	89306
PC 37:5; [M+Na]+; GPCho(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	14186	14118	14938	9362	13627	9526	6251	7185	10016	4751
PC 42:9; [M+Na]+; GPCho(20:4(5E,8E,11E,14E)/22:5(7Z,10Z,13Z,16Z,19Z))	7334	19208	10327	3598	9420	3218	3189	2614	2836	3412
PC 38:3; [M+Na]+; GPCho(18:0/20:3(5Z,8Z,11Z))	2936837	5643914	3107679	2940413	3143389	2883636	2261389	2974907	2456628	2870772
CE 17:0; (internal standard)	1269803	1644033	1569161	1299172	1339398	1479507	1191753	1229327	1315627	1352828
D31-TAG (internal standard)	878	295	583	580	1139	823	434	494	446	711
d5-DAG (internal standard)	30277	35033	36185	18876	42097	27331	24261	19922	20633	17581
lysoPC 17:0;[M+H]+ (internal standard)	2530902	3180265	3155440	2149856	2446658	3218356	2225344	2751113	2888748	3305776
MG 17:0; [M+NH4]+ (internal standard)	124249	192837	145514	114466	94035	108708	128275	151150	129597	218771
PC 17:0; [M+H]+ (internal standard)	3163997	4251629	4308261	2947737	3385377	4154624	2887984	3152816	3503299	3117783
PE 17:0; [M+H]+ (internal standard)	934361	1188165	1278736	1012183	1068872	1333327	952779	826799	994120	1108421
PG 17:0; [M+H]+ (internal standard)	736	742	495	690	597	257	515	548	330	266
SM 17:0;[M+H]+ (internal standard)	2475464	2361021	3157938	3143723	2982269	3783075	3719229	3763695	4030608	3919170
PS 17:0;[M+H]+ (internal standard)	1459	1140	1171	557	1772	721	982	624	926	283
TG 17:0 (internal standard)	738	1339	753	509	785	2420	673	1071	758	583
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