#METABOLOMICS WORKBENCH cwalker_bcm_20200124_113143 DATATRACK_ID:1905 STUDY_ID:ST001311 ANALYSIS_ID:AN002182 PROJECT_ID:PR000892
VERSION             	1
CREATED_ON             	February 2, 2020, 6:51 pm
#PROJECT
PR:PROJECT_TITLE                 	Lipidomic profiling after early-life exposure to an endocrine disrupting
PR:PROJECT_TITLE                 	chemical in the liver.
PR:PROJECT_TYPE                  	Untargeted MS analysis
PR:PROJECT_SUMMARY               	Lipidomic profiling in the liver 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, Houston, TX, 77030, USA
PR:EMAIL                         	Cheryl.walker@bcm.edu
PR:PHONE                         	713-798-8219
#STUDY
ST:STUDY_TITLE                   	Lipid expression in liver after early lifer exposure to an endocrine disruptor
ST:STUDY_TITLE                   	at 70 days postnatal in the liver (part-II)
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              	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
SU:ANIMAL_FEED                   	Phytoestrogen Reduced II 18-5, Ziegler Bros, 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           	-	ncV1	Treatment:vehicle	Day of Liver 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 Liver 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 Liver 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 Liver 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 Liver Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
SUBJECT_SAMPLE_FACTORS           	-	ncB1	Treatment:BPA	Day of Liver 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 Liver 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 Liver 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 Liver 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 Liver Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet
#COLLECTION
CO:COLLECTION_SUMMARY            	Liver tissue was harvested on post-natal day 70 . Tissue was snap-frozen in
CO:COLLECTION_SUMMARY            	liquid nitrogen.
CO:SAMPLE_TYPE                   	Liver
#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.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	unbiased.liver.MS.method.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu Nexera-x2
CH:COLUMN_NAME                   	1.8 µm particle 50 × 2.1 mm
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5600 TripleTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	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. Lipidomics Data Analysis. Raw data was converted to the
MS:MS_COMMENTS                   	mgf data format using proteoWizard software (2).The NIST MS PepSearch Program
MS:MS_COMMENTS                   	was used to search the converted files against LipidBlast libraries. The m/z
MS:MS_COMMENTS                   	width was determined by the mass accuracy of internal standards and were set to
MS:MS_COMMENTS                   	0.001 for positive mode and to 0.005 for negative mode with an overall mass
MS:MS_COMMENTS                   	error of less than 2 parts per million. The minimum match factor used was set to
MS:MS_COMMENTS                   	400. All raw data files were searched against the library of identified lipids
MS:MS_COMMENTS                   	based on mass and retention time using Multiquant 1.1.0.26 (ABsciex, Concord,
MS:MS_COMMENTS                   	Canada). Relative abundance of peak spectra was used for the analyses. Lipids
MS:MS_COMMENTS                   	that were identified in both positive and negative ion modes were initially
MS:MS_COMMENTS                   	analyzed separately for their relationship with outcome to ensure persistent
MS:MS_COMMENTS                   	results. As the relationship with outcome was not different in such lipids by
MS:MS_COMMENTS                   	ion modes, the values from positive mode were used in the final analysis. For
MS:MS_COMMENTS                   	lipid features with multiple adducts, the sum of spectral peaks from different
MS:MS_COMMENTS                   	adducts was used for the corresponding lipid. Identified lipids were quantified
MS:MS_COMMENTS                   	by normalizing against their respective internal standard. Quality control
MS:MS_COMMENTS                   	samples were used to monitor the overall quality of the lipid extraction and
MS:MS_COMMENTS                   	mass spectrometry analyses. The distributions of detected lipid species across
MS:MS_COMMENTS                   	the quality control samples indicated high reproducibility.
#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
lysoPC 17:0; [M+H]+; PC(17:0/0:0)	8953886	10008349	7898395	9387988	8953155	9757985	9431364	2617101	10049054	8678187
PC 40:10; [M+H]+; GPCho(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	63756	74386	35842	40377	63296	95396	41543	26436	61582	50026
DG 34:3; [M+NH4]+; DG(16:1/18:2/0:0)	128260	131486	200292	271787	114530	166105	190539	168160	104217	139930
PC 38:1; [M+Na]+; GPCho(18:1(11E)/20:0)	136683	191340	220175	166515	67869	197449	213051	252103	233606	138900
DG 35:2; [M+NH4]+; DG(17:1/18:1/0:0)	19464	20444	30498	47546	20232	23998	34877	28445	16510	13932
DG 34:1; [M+NH4]+; DG(16:0/18:1/0:0)	287434	391250	628160	813421	1028422	531258	528766	395475	335822	358396
DG 35:1; [M+NH4]+; DG(17:0/18:1/0:0)	4203	5714	9943	11265	10405	6490	9119	6593	5272	3396
DG 36:1; [M+NH4]+; DG(18:0/18:1/0:0)	32583	19504	46748	46558	76081	36475	39874	28487	21618	22618
DG 38:2; [M+NH4]+; DG(18:1/20:1/0:0)	23253	23868	45698	49328	40824	28774	45616	26063	21381	13731
TG 53:5; [M+NH4]+; TG(17:0/18:2/18:3)	2996	3485	2891	3503	3160	1749	2510	1168	1192	2873
TG 51:3; [M+NH4]+; TG(16:1/17:0/18:2)	4225	4149	3792	3270	4952	2356	2351	1664	2457	1350
TG 60:13; [M+Na]+; TG(18:2/20:5/22:6)	12678	15173	17041	17032	6703	63240	38676	55579	56561	35293
TG 55:2; [M+NH4]+; TG(18:1/18:1/19:0)	491	199	755	3	1001	9933	6025	9369	6132	7790
TG 58:11; [M+Na]+; TG(18:2/18:3/22:6)	1488	1335	767	784	1068	1661	1676	1253	3752	2241
TG 52:6; [M+Na]+; TG(16:1/18:2/18:3)	50336	56587	63500	60635	99607	72240	46856	77720	64271	78246
TG 52:6; [M+NH4]+; TG(16:1/18:2/18:3)	829	1308	671	752	482	909	306	601	248	1847
TG 56:9; [M+Na]+; TG(16:1/18:2/22:6)	101880	103252	125460	112333	36040	242617	156459	238261	223753	190742
TG 46:1; [M+NH4]+; TG(14:0/16:0/16:1)	11828	14224	11398	22194	278594	7560	4780	7460	5268	29629
TG 48:2; [M+NH4]+; TG(14:0/16:1/18:1)	92556	111375	106485	143986	871881	67237	35935	58569	41341	164836
TG 50:3; [M+NH4]+; TG(16:0/16:1/18:2)	368933	409791	476830	500279	816687	423229	255849	331221	267002	591674
TG 50:3; [M+Na]+; TG(16:0/16:1/18:2)	164417	194664	178119	184547	446217	129165	75733	103041	109495	255261
TG 48:1; [M+NH4]+; TG(14:0/16:0/18:1)	58572	62972	76615	89386	919942	57222	28221	33056	41873	140329
TG 50:2; [M+NH4]+; TG(16:0/16:1/18:1)	443799	440677	545968	591231	2151324	493862	265420	297430	356418	761389
TG 52:3; [M+Na]+; TG(16:0/18:1/18:2)	869652	982652	863621	897910	939897	859360	657998	874443	1120033	1079898
TG 56:4; [M+NH4]+; TG(18:1/18:2/20:1)	65753	71284	78608	74038	27685	149182	109565	98915	91864	57863
TG 56:4; [M+Na]+; TG(18:1/18:2/20:1)	160589	191490	155814	162602	63024	271702	229262	241019	211579	161916
TG 51:1; [M+NH4]+; TG(16:0/17:0/18:1)	11454	12605	14763	20379	93843	16236	8818	7823	12768	12511
TG 52:1; [M+Na]+; TG(16:0/18:0/18:1)	136556	126670	121681	133204	443806	131181	92449	114592	141236	165706
TG 52:1; [M+NH4]+; TG(16:0/18:0/18:1)	131263	112800	157157	152383	504211	151548	118547	106921	130817	149771
TG 54:2; [M+NH4]+; TG(16:0/18:1/20:1)	91405	89906	108694	105700	188259	125372	88665	82683	99358	79871
TG 56:3; [M+NH4]+; TG(18:1/18:1/20:1)	1068	412	567	1965	1126	1554	1234	1008	775	1743
TG 58:4; [M+NH4]+; TG(18:1/20:1/20:2)	13264	11387	13564	15438	7298	17756	20360	21716	11530	8069
TG 53:1; [M+NH4]+; TG(17:0/18:0/18:1)	6655	5216	7404	8865	53090	7533	6333	4669	6138	6452
TG 54:1; [M+NH4]+; TG(18:0/18:0/18:1)	15954	15570	16171	14351	31258	22095	15338	14266	19230	17205
TG 56:2; [M+NH4]+; TG(18:0/18:1/20:1)	14906	15497	26128	23761	23128	21335	22495	18126	15504	15983
TG 56:1; [M+NH4]+; TG(18:0/18:1/20:0)	1544	1727	2881	2344	3320	1803	1359	2570	1754	1814
TG 56:1; [M+Na]+; TG(16:0/18:1/22:0)	1064	2465	3780	4436	2410	4324	4124	2729	2478	2298
PC 40:8; [M+H]+; GPCho(20:4(5E,8E,11E,14E)/20:4(5E,8E,11E,14E))	2787	1357	2772	2538	3402	2150	3000	2021	1235	2104
DG 33:2; [M+NH4]+; DG(15:0/18:2/0:0)	18231	18876	31969	37402	18194	17745	28769	27237	17132	14094
DG 36:3; [M+NH4]+; DG(18:1/18:2/0:0)	4630	4693	9196	5645	2258	5006	6869	7236	2351	1114
PC 38:2; [M+Na]+; GPCho(12:0/26:2(5E,9Z))	2390	1725	2289	2084	994	1906	1892	2989	1561	2177
PC 37:1; [M+Na]+; GPCho(15:0/22:1(13Z))	7565	5090	7392	4172	8710	8594	10439	8022	9344	8735
TG 55:3; [M+NH4]+; TG(18:1/18:2/19:0)	3429	2816	3434	3791	2112	4104	4937	3520	2497	3775
TG 54:7; [M+NH4]+; TG(18:2/18:2/18:3)	321702	298199	403044	399883	207520	596840	335417	505230	481779	483379
TG 60:11; [M+Na]+; TG(18:1/20:4/22:6)	4980	4864	2882	4086	1325	10815	6867	9731	12011	4965
TG 53:4; [M+NH4]+; TG(17:1/18:1/18:2)	32692	34543	41509	35905	16780	40327	35472	42838	33248	28094
TG 56:7; [M+Na]+; TG(16:0/18:1/22:6)	383389	303784	322128	372039	327304	517517	411264	480173	598590	488564
TG 53:3; [M+NH4]+; TG(17:0/18:1/18:2)	45752	48245	58242	54086	28916	75687	52583	55273	51057	52898
TG 53:2; [M+NH4]+; TG(17:0/18:1/18:1)	31017	28248	33353	33685	62890	37698	26834	27754	33723	23462
TG 58:4; [M+NH4]+; TG(18:1/18:2/22:1)	15134	9460	13713	15253	6208	14930	12778	15895	12170	7781
DG 35:3; [M+NH4]+; DG(17:1/18:2/0:0)	15394	14936	22373	28673	13092	15936	22811	17013	11317	10967
DG 34:0; [M+NH4]+; DG(16:0/18:0/0:0)	17660	26512	41903	41146	63090	32370	30173	25279	21470	23868
TG 60:12; [M+Na]+; TG(18:2/20:4/22:6)	16593	32078	24806	24761	6172	116892	72059	85701	100198	35890
TG 54:5; [M+Na]+; TG(18:1/18:2/18:2)	364846	467880	341790	403279	254093	482146	436511	491486	361168	421239
TG 56:5; [M+NH4]+; TG(18:1/18:2/20:2)	115291	111496	139366	133811	49955	222569	151769	181550	162248	110431
TG 60:6; [M+NH4]+; TG(18:1/20:1/22:4)	3433	6204	2738	3312	1155	3390	7427	4133	5337	1707
DG 30:0; [M+NH4]+; DG(14:0/16:0/0:0)	2166	2485	6244	6610	33665	4535	3653	4234	1857	4567
PC 38:1; [M+Na]+; GPCho(18:0/20:1(11E))	148764	184707	230620	192830	63919	202718	198464	270289	250186	131263
TG 51:2; [M+NH4]+; TG(16:0/17:0/18:2)	2966	4285	4481	5868	12162	3937	1446	2013	3294	6678
TG 54:7; [M+Na]+; TG(18:2/18:2/18:3)	242843	231710	289173	248969	197182	401441	279181	291428	421821	385441
TG 48:2; [M+Na]+; TG(14:0/16:1/18:1)	21772	26363	22948	31346	367460	12676	9058	11712	12074	45733
TG 58:9; [M+Na]+; TG(18:1/18:2/22:6)	161040	178413	137075	186072	34529	350116	270365	304510	371087	194506
TG 53:4; [M+Na]+; TG(17:1/18:1/18:2)	22016	28095	20798	23073	10885	23204	18818	30432	20200	23940
PC 40:6; [M+Na]+; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	27559	25842	21553	25336	22617	27210	26536	25928	27604	31264
TG 56:7; [M+Na]+; TG(18:1/18:2/20:4)	389212	313510	338820	382268	335594	535825	418382	490261	620482	499366
lysoPC 18:0; [M+H]+; PC(18:0/0:0)	4420513	3150078	2770050	3268951	5642935	4008503	5232971	4743420	5510001	4637823
PC 37:1; [M+Na]+; GPCho(15:1(9Z)/22:0)	14808	13053	12737	13110	10698	17107	13909	14910	17264	17732
TG 58:10; [M+Na]+; TG(18:2/18:2/22:6)	88493	101015	112398	114607	29600	285693	237349	272864	232160	163456
TG 52:3; [M+NH4]+; TG(16:0/18:1/18:2)	2435	2172	2745	2069	2159	1133	1418	1603	1497	2370
TG 51:1; [M+Na]+; TG(16:0/17:0/18:1)	16390	16174	12276	19566	104039	16462	15338	11639	17608	20969
TG 49:1; [M+NH4]+; TG(16:0/16:1/17:0)	1186	1281	1100	1073	8007	1052	569	330	535	1759
TG 53:7; [M+NH4]+; TG(17:2/18:2/18:3)	43255	45660	43901	47422	25257	49896	37609	46078	65237	53955
TG 50:2; [M+Na]+; TG(16:0/16:1/18:1)	225964	217875	203937	239016	865965	164041	106026	132971	172137	323236
TG 53:1; [M+NH4]+; TG(16:0/18:1/19:0)	7177	5061	7062	9158	54318	7753	6561	7968	6414	6824
PC 36:6; [M+H]+; GPCho(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	17372	25297	36067	31694	39750	31519	33792	31724	22287	24114
TG 50:1; [M+NH4]+; TG(16:0/16:0/18:1)	199598	177473	240744	268033	1683222	260009	159609	152831	202194	330257
TG 52:2; [M+NH4]+; TG(16:0/18:1/18:1)	596	435	262	130	456	630	462	113	532	277
TG 58:3; [M+NH4]+; TG(18:1/20:1/20:1)	6972	7080	10785	9071	7324	9455	6420	5844	6900	4852
PC 31:1; [M+Na]+; GPCho(15:0/16:1(7Z))	3416	2194	7015	2022	1556	12362	7971	4481	4388	14809
PC 34:0; [M+Na]+; GPCho(17:0/17:0)	110468	129404	81979	106211	73392	98674	96970	104000	90008	126188
PC 36:0; [M+Na]+; GPCho(17:0/19:0)	11377	15209	11616	10607	8567	16643	12166	10346	11049	11029
lysoPC 16:0; [M+H]+; PC(16:0/0:0)	4934790	3948454	5020760	3761790	4395364	3929518	3553939	4432432	5299061	5560956
DG 32:1; [M+NH4]+; DG(16:0/16:1/0:0)	73668	79830	131099	175931	442532	96490	77770	66862	43737	89403
PC 37:1; [M+Na]+; GPCho(18:1(11E)/19:0)	10960	9238	5338	8860	7455	13707	11983	12936	13623	10872
PC 38:1; [M+Na]+; GPCho(15:1(9Z)/23:0)	14699	12914	5523	11324	10389	11024	7220	16880	17975	11764
DG 40:3; [M+NH4]+; DG(18:2/22:1/0:0)	9337	4398	12296	11455	6005	4732	7993	8036	4368	3458
DG 38:1; [M+NH4]+; DG(18:1/20:0/0:0)	4160	4007	9596	5794	13171	4012	5846	5917	2782	2446
DG 40:2; [M+NH4]+; DG(18:1/22:1/0:0)	5706	3027	6149	6919	3844	1820	2554	3430	1955	898
TG 49:2; [M+NH4]+; TG(16:0/16:1/17:1)	800	577	483	1055	2154	1400	249	356	985	1037
TG 42:0; [M+NH4]+; TG(12:0/14:0/16:0)	403	1586	1795	3152	6989	611	1480	508	627	1423
TG 50:4; [M+Na]+; TG(16:1/16:1/18:2)	77348	93097	111728	94576	110447	61334	51106	80794	64427	107435
TG 51:4; [M+NH4]+; TG(16:1/17:1/18:2)	11603	13290	13658	10779	8357	15612	9639	16571	20207	14207
TG 52:4; [M+Na]+; TG(16:1/18:1/18:2)	612850	728088	685182	608619	455328	555955	523688	620119	635368	669448
TG 51:3; [M+NH4]+; TG(16:0/17:1/18:2)	50728	66191	90225	72670	61491	63766	40664	57886	54224	64977
TG 54:2; [M+Na]+; TG(16:0/18:1/20:1)	116351	149767	122065	124365	215974	169308	135113	146148	169706	126270
TG 58:4; [M+Na]+; TG(18:1/18:2/22:1)	35062	46204	43821	46198	26953	53173	51423	72788	46105	31438
TG 57:3; [M+NH4]+; TG(18:1/18:2/21:0)	7562	9345	16229	16084	23469	22332	16469	9031	9663	12408
TG 54:1; [M+NH4]+; TG(16:0/18:1/20:0)	20427	16259	20604	22620	35734	25739	18089	19573	18254	19618
TG 54:1; [M+Na]+; TG(16:0/18:1/20:0)	37791	25181	35866	25484	61930	31960	17891	28485	34438	29535
TG 56:2; [M+NH4]+; TG(16:0/18:1/22:1)	11030	12477	17526	13216	25366	16167	12936	17283	10192	8163
TG 55:1; [M+NH4]+; TG(16:0/18:1/21:0)	787	3189	4244	3879	40553	2095	2551	1325	1489	1476
TG 54:6; [M+NH4]+; TG(18:1/18:2/18:3)	10019	10264	11439	19081	10078	16151	10662	15217	16264	12429
TG 51:2; [M+NH4]+; TG(16:0/17:1/18:1)	64029	64696	90004	89508	159232	59613	46750	56641	57553	74814
TG 56:2; [M+Na]+; TG(16:0/18:1/22:1)	28927	34540	33513	34554	49623	34421	26939	32008	27443	27973
lysoPC 17:1; [M+H]+; PC(17:1(9Z)/0:0)	12256	12262	13061	7488	10714	20419	13419	22462	38454	8469
lysoPC 23:0; [M+H]+; PC(23:0/0:0)	1793	3474	2076	1926	2263	3147	2176	2044	4264	1598
TG 56:8; [M+Na]+; TG(16:0/18:2/22:6)	588056	546495	609231	590718	200376	923257	650953	779128	901444	771646
TG 52:0; [M+NH4]+; TG(16:0/18:0/18:0)	8043	11004	12846	13405	90646	12497	10235	7444	10466	8760
TG 56:6; [M+Na]+; TG(18:1/18:2/20:3)	333498	326576	327714	356231	194733	451124	350646	449701	501049	369039
PC 37:1; [M+Na]+; GPCho(26:1(5Z)/11:0)	10960	9238	5338	8860	7455	13707	11983	12936	13623	10872
PC 42:2; [M+Na]+; GPCho(18:2(2E,4E)/24:0)	14874	25857	25293	15009	12618	16732	20122	22913	27099	16461
TG 54:8; [M+Na]+; TG(16:1/18:2/20:5)	80291	69491	91387	80458	32905	130706	96505	154055	124295	139711
TG 62:13; [M+Na]+; TG(18:2/22:5/22:6)	15858	13583	17657	20231	2506	49344	44669	42298	53698	29971
TG 50:4; [M+NH4]+; TG(16:1/16:1/18:2)	7203	7201	8496	12446	5110	7754	6032	5379	4506	11288
TG 52:5; [M+NH4]+; TG(16:1/18:2/18:2)	315393	399002	480991	418677	253018	456891	339002	468201	310049	401220
TG 54:7; [M+Na]+; TG(16:0/18:2/20:5)	255607	239300	289120	262246	205094	411119	282189	324627	427910	385087
TG 48:2; [M+NH4]+; TG(16:0/16:1/16:1)	91122	110032	97785	136781	850966	67126	35749	53464	40686	157083
TG 54:6; [M+Na]+; TG(16:0/18:2/20:4)	182454	195490	203195	219608	239241	233900	156948	197996	276583	246739
TG 56:7; [M+Na]+; TG(16:0/18:2/22:5)	398237	322527	351058	387347	343593	557476	422889	501187	647920	506032
TG 54:3; [M+NH4]+; TG(16:0/18:2/20:1)	283567	349784	362190	355927	312133	523497	377094	384158	346254	333452
TG 56:1; [M+NH4]+; TG(16:0/18:0/22:1)	1993	1623	2469	2805	3816	1747	1424	2319	2111	1842
PC 44:12; [M+H]+; GPCho(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	5405	12431	3457	1950	775	3390	1745	1281	8075	4143
PC 32:0; [M+Na]+; GPCho(16:0/16:0)	29236	30688	37695	26427	24942	27410	30274	31901	27650	29873
TG 54:7; [M+Na]+; TG(16:1/18:2/20:4)	254115	236224	291156	257931	203671	406919	281935	313580	431875	387253
TG 52:4; [M+NH4]+; TG(16:1/18:1/18:2)	1062387	1164108	1466204	1261999	692067	1606099	1182256	1583423	1288769	1278587
TG 56:6; [M+Na]+; TG(16:0/18:1/22:5)	350283	331687	319145	353811	168465	513480	382588	472001	562441	380233
TG 54:1; [M+NH4]+; TG(16:0/18:0/20:1)	22415	16817	20810	22406	37103	27478	18505	18875	19175	18646
TG 58:2; [M+NH4]+; TG(18:0/18:1/22:1)	4300	3412	6839	3983	5550	2362	2996	2374	3157	2073
PC 36:2; [M+Na]+; GPCho(18:0/18:2(2E,4E))	7251	1343	1283	3011	983	5896	10339	5869	4397	4517
PC 42:3; [M+Na]+; GPCho(18:2(2E,4E)/24:1(15Z))	6706	5039	8953	5046	2907	7537	7194	8928	5762	4918
TG 56:8; [M+Na]+; TG(16:1/18:2/22:5)	98024	87847	94712	94586	30417	157522	116779	138460	156986	135978
TG 52:4; [M+Na]+; TG(16:0/18:2/18:2)	715314	776704	709550	633039	466399	635309	622055	687142	702702	765869
TG 58:2; [M+NH4]+; TG(16:0/20:1/22:1)	3846	3673	5312	4107	5088	3236	3930	2723	2935	1731
DG 38:1; [M+NH4]+; DG(16:0/22:1/0:0)	3847	3652	6245	5160	8751	2742	5250	4031	4018	2691
TG 52:5; [M+Na]+; TG(16:1/18:2/18:2)	160126	221515	220932	182314	196751	195169	160962	213841	174236	234218
PC 40:2; [M+Na]+; GPCho(18:1(11E)/22:1(13Z))	57496	61046	78440	70899	53894	67180	71019	72617	78784	46671
PC 37:1; [M+Na]+; GPCho(16:1(7Z)/21:0)	1834	1487	1873	1510	2408	2468	1456	967	2002	864
TG 56:9; [M+Na]+; TG(18:2/18:2/20:5)	95677	81291	118161	105085	34243	233239	149869	220205	210370	185002
TG 60:12; [M+Na]+; TG(18:1/20:5/22:6)	4277	3251	3274	6650	1737	9287	6560	6691	11125	7622
TG 52:5; [M+NH4]+; TG(16:0/18:2/18:3)	307076	391213	455139	414158	252366	453863	336860	472615	315197	399334
TG 52:5; [M+Na]+; TG(16:0/18:2/18:3)	160126	221515	220932	182314	196751	195169	160962	213841	174236	234218
TG 46:1; [M+Na]+; TG(14:0/16:0/16:1)	292	841	235	445	6934	540	300	288	248	376
TG 54:6; [M+Na]+; TG(16:0/18:1/20:5)	188420	198497	211184	226591	245100	239083	175876	198733	282485	255063
TG 51:2; [M+Na]+; TG(16:0/17:1/18:1)	38097	39606	38967	37382	114008	30276	26537	32243	35223	55069
TG 54:3; [M+NH4]+; TG(18:0/18:1/18:2)	283461	358624	374315	355974	318067	527536	381925	382845	356693	330610
TG 50:0; [M+NH4]+; TG(16:0/16:0/18:0)	31181	23569	32622	35118	270778	34580	20084	20857	30756	45126
TG 60:4; [M+NH4]+; TG(18:2/20:1/22:1)	4732	4110	6000	7857	2780	2795	4585	3187	2596	2146
PC 38:1; [M+Na]+; GPCho(16:0/22:1(13Z))	157082	181197	219969	186968	56637	193701	182321	265994	247546	127892
PC 40:2; [M+Na]+; GPCho(20:1(11E)/20:1(11E))	54139	62284	78084	67497	49005	68720	75553	74064	77382	52979
TG 56:10; [M+Na]+; TG(18:2/18:3/20:5)	13612	15840	18361	18173	9148	38731	32153	40291	30910	28018
TG 56:8; [M+Na]+; TG(18:1/18:2/20:5)	559004	524086	597485	580778	198832	907667	657738	817187	923558	781532
TG 60:11; [M+Na]+; TG(16:0/22:5/22:6)	39545	40234	19187	42095	9401	106779	69120	92697	99707	63687
TG 58:8; [M+NH4]+; TG(18:1/18:2/22:5)	78460	72275	170035	101980	30689	235005	167928	173481	182440	100366
TG 58:8; [M+Na]+; TG(18:1/18:2/22:5)	134041	206920	102369	137144	50919	254220	197423	202542	235525	146929
PC 44:4; [M+Na]+; GPCho(20:0/24:4(5Z,8Z,11Z,14Z))	2598	4415	3500	4017	1890	3167	4036	3346	3105	2881
TG 60:7; [M+NH4]+; TG(18:1/20:1/22:5)	3988	3376	5007	5433	1491	12173	10147	10909	7698	3940
PC 35:2; [M+Na]+; GPCho(17:0/18:2(2E,4E))	44025	47521	28808	17954	4088	21226	9660	14880	27802	14145
PC 44:4; [M+Na]+; GPCho(20:4(7E,10E,13E,16E)/24:0)	2525	4056	4389	4616	2154	3987	3671	2836	2591	2828
lysoPC 19:0; [M+H]+; PC(19:0/0:0)	4239	1909	4505	3697	2318	4216	3227	5569	5904	4415
PC 42:9; [M+Na]+; GPCho(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	6906	7079	4499	1977	641	1615	927	459	2019	1579
PC 40:6; [M+Na]+; GPCho(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	29329	26478	21144	27278	24541	27035	26798	26260	28187	31023
TG 58:11; [M+Na]+; TG(18:2/20:4/20:5)	22301	13512	29746	33060	6195	62368	46983	70700	69292	42649
TG 60:12; [M+Na]+; TG(18:2/20:5/22:5)	30011	30969	32215	41368	12470	125653	79336	92722	104934	69985
TG 57:9; [M+Na]+; TG(17:1/18:2/22:6)	4672	4995	8284	8292	1904	16027	10831	17740	12392	6260
TG 58:5; [M+NH4]+; TG(18:0/18:1/22:4)	22754	17707	21446	19146	6685	20345	20702	22200	17374	14998
CE 17:0; (internal standard)	566569	589504	798655	1013561	855216	749719	831785	557964	537721	576711
d5-DAG (internal standard)	10280	14625	26132	34811	27778	24365	22369	17583	11026	18352
lysoPC 17:0;[M+H]+ (internal standard)	4059943	4234026	5820930	3839147	6420489	6316007	4709913	5949738	6585397	4295474
MG 17:0; [M+NH4]+ (internal standard)	557506	842172	500772	549890	716264	537430	776241	558660	526920	798979
PC 17:0; [M+H]+ (internal standard)	4692230	5347153	4515792	4966984	4741843	4631580	4674858	4583686	4397819	4793468
PE 17:0; [M+H]+ (internal standard)	1109252	1209070	1143538	1420385	1122743	1063663	1093100	1239609	962951	1121758
SM 17:0;[M+H]+ (internal standard)	1376123	1516075	1107957	1409625	1562400	1143064	1143666	1046213	1004851	1209904
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
lysoPC 17:0; [M+H]+; PC(17:0/0:0)
PC 40:10; [M+H]+; GPCho(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG 34:3; [M+NH4]+; DG(16:1/18:2/0:0)
PC 38:1; [M+Na]+; GPCho(18:1(11E)/20:0)
DG 35:2; [M+NH4]+; DG(17:1/18:1/0:0)
DG 34:1; [M+NH4]+; DG(16:0/18:1/0:0)
DG 35:1; [M+NH4]+; DG(17:0/18:1/0:0)
DG 36:1; [M+NH4]+; DG(18:0/18:1/0:0)
DG 38:2; [M+NH4]+; DG(18:1/20:1/0:0)
TG 53:5; [M+NH4]+; TG(17:0/18:2/18:3)
TG 51:3; [M+NH4]+; TG(16:1/17:0/18:2)
TG 60:13; [M+Na]+; TG(18:2/20:5/22:6)
TG 55:2; [M+NH4]+; TG(18:1/18:1/19:0)
TG 58:11; [M+Na]+; TG(18:2/18:3/22:6)
TG 52:6; [M+Na]+; TG(16:1/18:2/18:3)
TG 52:6; [M+NH4]+; TG(16:1/18:2/18:3)
TG 56:9; [M+Na]+; TG(16:1/18:2/22:6)
TG 46:1; [M+NH4]+; TG(14:0/16:0/16:1)
TG 48:2; [M+NH4]+; TG(14:0/16:1/18:1)
TG 50:3; [M+NH4]+; TG(16:0/16:1/18:2)
TG 50:3; [M+Na]+; TG(16:0/16:1/18:2)
TG 48:1; [M+NH4]+; TG(14:0/16:0/18:1)
TG 50:2; [M+NH4]+; TG(16:0/16:1/18:1)
TG 52:3; [M+Na]+; TG(16:0/18:1/18:2)
TG 56:4; [M+NH4]+; TG(18:1/18:2/20:1)
TG 56:4; [M+Na]+; TG(18:1/18:2/20:1)
TG 51:1; [M+NH4]+; TG(16:0/17:0/18:1)
TG 52:1; [M+Na]+; TG(16:0/18:0/18:1)
TG 52:1; [M+NH4]+; TG(16:0/18:0/18:1)
TG 54:2; [M+NH4]+; TG(16:0/18:1/20:1)
TG 56:3; [M+NH4]+; TG(18:1/18:1/20:1)
TG 58:4; [M+NH4]+; TG(18:1/20:1/20:2)
TG 53:1; [M+NH4]+; TG(17:0/18:0/18:1)
TG 54:1; [M+NH4]+; TG(18:0/18:0/18:1)
TG 56:2; [M+NH4]+; TG(18:0/18:1/20:1)
TG 56:1; [M+NH4]+; TG(18:0/18:1/20:0)
TG 56:1; [M+Na]+; TG(16:0/18:1/22:0)
PC 40:8; [M+H]+; GPCho(20:4(5E,8E,11E,14E)/20:4(5E,8E,11E,14E))
DG 33:2; [M+NH4]+; DG(15:0/18:2/0:0)
DG 36:3; [M+NH4]+; DG(18:1/18:2/0:0)
PC 38:2; [M+Na]+; GPCho(12:0/26:2(5E,9Z))
PC 37:1; [M+Na]+; GPCho(15:0/22:1(13Z))
TG 55:3; [M+NH4]+; TG(18:1/18:2/19:0)
TG 54:7; [M+NH4]+; TG(18:2/18:2/18:3)
TG 60:11; [M+Na]+; TG(18:1/20:4/22:6)
TG 53:4; [M+NH4]+; TG(17:1/18:1/18:2)
TG 56:7; [M+Na]+; TG(16:0/18:1/22:6)
TG 53:3; [M+NH4]+; TG(17:0/18:1/18:2)
TG 53:2; [M+NH4]+; TG(17:0/18:1/18:1)
TG 58:4; [M+NH4]+; TG(18:1/18:2/22:1)
DG 35:3; [M+NH4]+; DG(17:1/18:2/0:0)
DG 34:0; [M+NH4]+; DG(16:0/18:0/0:0)
TG 60:12; [M+Na]+; TG(18:2/20:4/22:6)
TG 54:5; [M+Na]+; TG(18:1/18:2/18:2)
TG 56:5; [M+NH4]+; TG(18:1/18:2/20:2)
TG 60:6; [M+NH4]+; TG(18:1/20:1/22:4)
DG 30:0; [M+NH4]+; DG(14:0/16:0/0:0)
PC 38:1; [M+Na]+; GPCho(18:0/20:1(11E))
TG 51:2; [M+NH4]+; TG(16:0/17:0/18:2)
TG 54:7; [M+Na]+; TG(18:2/18:2/18:3)
TG 48:2; [M+Na]+; TG(14:0/16:1/18:1)
TG 58:9; [M+Na]+; TG(18:1/18:2/22:6)
TG 53:4; [M+Na]+; TG(17:1/18:1/18:2)
PC 40:6; [M+Na]+; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG 56:7; [M+Na]+; TG(18:1/18:2/20:4)
lysoPC 18:0; [M+H]+; PC(18:0/0:0)
PC 37:1; [M+Na]+; GPCho(15:1(9Z)/22:0)
TG 58:10; [M+Na]+; TG(18:2/18:2/22:6)
TG 52:3; [M+NH4]+; TG(16:0/18:1/18:2)
TG 51:1; [M+Na]+; TG(16:0/17:0/18:1)
TG 49:1; [M+NH4]+; TG(16:0/16:1/17:0)
TG 53:7; [M+NH4]+; TG(17:2/18:2/18:3)
TG 50:2; [M+Na]+; TG(16:0/16:1/18:1)
TG 53:1; [M+NH4]+; TG(16:0/18:1/19:0)
PC 36:6; [M+H]+; GPCho(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG 50:1; [M+NH4]+; TG(16:0/16:0/18:1)
TG 52:2; [M+NH4]+; TG(16:0/18:1/18:1)
TG 58:3; [M+NH4]+; TG(18:1/20:1/20:1)
PC 31:1; [M+Na]+; GPCho(15:0/16:1(7Z))
PC 34:0; [M+Na]+; GPCho(17:0/17:0)
PC 36:0; [M+Na]+; GPCho(17:0/19:0)
lysoPC 16:0; [M+H]+; PC(16:0/0:0)
DG 32:1; [M+NH4]+; DG(16:0/16:1/0:0)
PC 37:1; [M+Na]+; GPCho(18:1(11E)/19:0)
PC 38:1; [M+Na]+; GPCho(15:1(9Z)/23:0)
DG 40:3; [M+NH4]+; DG(18:2/22:1/0:0)
DG 38:1; [M+NH4]+; DG(18:1/20:0/0:0)
DG 40:2; [M+NH4]+; DG(18:1/22:1/0:0)
TG 49:2; [M+NH4]+; TG(16:0/16:1/17:1)
TG 42:0; [M+NH4]+; TG(12:0/14:0/16:0)
TG 50:4; [M+Na]+; TG(16:1/16:1/18:2)
TG 51:4; [M+NH4]+; TG(16:1/17:1/18:2)
TG 52:4; [M+Na]+; TG(16:1/18:1/18:2)
TG 51:3; [M+NH4]+; TG(16:0/17:1/18:2)
TG 54:2; [M+Na]+; TG(16:0/18:1/20:1)
TG 58:4; [M+Na]+; TG(18:1/18:2/22:1)
TG 57:3; [M+NH4]+; TG(18:1/18:2/21:0)
TG 54:1; [M+NH4]+; TG(16:0/18:1/20:0)
TG 54:1; [M+Na]+; TG(16:0/18:1/20:0)
TG 56:2; [M+NH4]+; TG(16:0/18:1/22:1)
TG 55:1; [M+NH4]+; TG(16:0/18:1/21:0)
TG 54:6; [M+NH4]+; TG(18:1/18:2/18:3)
TG 51:2; [M+NH4]+; TG(16:0/17:1/18:1)
TG 56:2; [M+Na]+; TG(16:0/18:1/22:1)
lysoPC 17:1; [M+H]+; PC(17:1(9Z)/0:0)
lysoPC 23:0; [M+H]+; PC(23:0/0:0)
TG 56:8; [M+Na]+; TG(16:0/18:2/22:6)
TG 52:0; [M+NH4]+; TG(16:0/18:0/18:0)
TG 56:6; [M+Na]+; TG(18:1/18:2/20:3)
PC 37:1; [M+Na]+; GPCho(26:1(5Z)/11:0)
PC 42:2; [M+Na]+; GPCho(18:2(2E,4E)/24:0)
TG 54:8; [M+Na]+; TG(16:1/18:2/20:5)
TG 62:13; [M+Na]+; TG(18:2/22:5/22:6)
TG 50:4; [M+NH4]+; TG(16:1/16:1/18:2)
TG 52:5; [M+NH4]+; TG(16:1/18:2/18:2)
TG 54:7; [M+Na]+; TG(16:0/18:2/20:5)
TG 48:2; [M+NH4]+; TG(16:0/16:1/16:1)
TG 54:6; [M+Na]+; TG(16:0/18:2/20:4)
TG 56:7; [M+Na]+; TG(16:0/18:2/22:5)
TG 54:3; [M+NH4]+; TG(16:0/18:2/20:1)
TG 56:1; [M+NH4]+; TG(16:0/18:0/22:1)
PC 44:12; [M+H]+; GPCho(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 32:0; [M+Na]+; GPCho(16:0/16:0)
TG 54:7; [M+Na]+; TG(16:1/18:2/20:4)
TG 52:4; [M+NH4]+; TG(16:1/18:1/18:2)
TG 56:6; [M+Na]+; TG(16:0/18:1/22:5)
TG 54:1; [M+NH4]+; TG(16:0/18:0/20:1)
TG 58:2; [M+NH4]+; TG(18:0/18:1/22:1)
PC 36:2; [M+Na]+; GPCho(18:0/18:2(2E,4E))
PC 42:3; [M+Na]+; GPCho(18:2(2E,4E)/24:1(15Z))
TG 56:8; [M+Na]+; TG(16:1/18:2/22:5)
TG 52:4; [M+Na]+; TG(16:0/18:2/18:2)
TG 58:2; [M+NH4]+; TG(16:0/20:1/22:1)
DG 38:1; [M+NH4]+; DG(16:0/22:1/0:0)
TG 52:5; [M+Na]+; TG(16:1/18:2/18:2)
PC 40:2; [M+Na]+; GPCho(18:1(11E)/22:1(13Z))
PC 37:1; [M+Na]+; GPCho(16:1(7Z)/21:0)
TG 56:9; [M+Na]+; TG(18:2/18:2/20:5)
TG 60:12; [M+Na]+; TG(18:1/20:5/22:6)
TG 52:5; [M+NH4]+; TG(16:0/18:2/18:3)
TG 52:5; [M+Na]+; TG(16:0/18:2/18:3)
TG 46:1; [M+Na]+; TG(14:0/16:0/16:1)
TG 54:6; [M+Na]+; TG(16:0/18:1/20:5)
TG 51:2; [M+Na]+; TG(16:0/17:1/18:1)
TG 54:3; [M+NH4]+; TG(18:0/18:1/18:2)
TG 50:0; [M+NH4]+; TG(16:0/16:0/18:0)
TG 60:4; [M+NH4]+; TG(18:2/20:1/22:1)
PC 38:1; [M+Na]+; GPCho(16:0/22:1(13Z))
PC 40:2; [M+Na]+; GPCho(20:1(11E)/20:1(11E))
TG 56:10; [M+Na]+; TG(18:2/18:3/20:5)
TG 56:8; [M+Na]+; TG(18:1/18:2/20:5)
TG 60:11; [M+Na]+; TG(16:0/22:5/22:6)
TG 58:8; [M+NH4]+; TG(18:1/18:2/22:5)
TG 58:8; [M+Na]+; TG(18:1/18:2/22:5)
PC 44:4; [M+Na]+; GPCho(20:0/24:4(5Z,8Z,11Z,14Z))
TG 60:7; [M+NH4]+; TG(18:1/20:1/22:5)
PC 35:2; [M+Na]+; GPCho(17:0/18:2(2E,4E))
PC 44:4; [M+Na]+; GPCho(20:4(7E,10E,13E,16E)/24:0)
lysoPC 19:0; [M+H]+; PC(19:0/0:0)
PC 42:9; [M+Na]+; GPCho(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
PC 40:6; [M+Na]+; GPCho(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
TG 58:11; [M+Na]+; TG(18:2/20:4/20:5)
TG 60:12; [M+Na]+; TG(18:2/20:5/22:5)
TG 57:9; [M+Na]+; TG(17:1/18:2/22:6)
TG 58:5; [M+NH4]+; TG(18:0/18:1/22:4)
CE 17:0; (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)
SM 17:0;[M+H]+ (internal standard)
METABOLITES_END
#END