#METABOLOMICS WORKBENCH hatalbott2_20191118_161906 DATATRACK_ID:1852 STUDY_ID:ST001286 ANALYSIS_ID:AN002130 PROJECT_ID:PR000868
VERSION             	1
CREATED_ON             	December 12, 2019, 5:08 pm
#PROJECT
PR:PROJECT_TITLE                 	Lipid composition of isolated lipid droplets from the functional bovine corpus
PR:PROJECT_TITLE                 	luteum
PR:PROJECT_TYPE                  	lipidomics
PR:PROJECT_SUMMARY               	Establishment and maintenance of pregnancy is dependent on progesterone
PR:PROJECT_SUMMARY               	synthesized by the corpus luteum (CL). The CL is known for the prominent
PR:PROJECT_SUMMARY               	presence of intracellular lipid droplets (LDs). However relatively little is
PR:PROJECT_SUMMARY               	known about the composition and function of these luteal LDs. Our objective was
PR:PROJECT_SUMMARY               	to identify the lipid composition of LDs from fully functional bovine CLs.
PR:PROJECT_SUMMARY               	Luteal LDs were isolated by flotation through a discontinuous sucrose gradient,
PR:PROJECT_SUMMARY               	lipids were then extracted using a standard Bligh and Dyer protocol, dried, and
PR:PROJECT_SUMMARY               	sent to Avanti Polar Lipids for lipidomics analysis. The samples were provided
PR:PROJECT_SUMMARY               	for lipidomic profiling of free sterols, cholesteryl esters, triglycerides,
PR:PROJECT_SUMMARY               	diacylglycerols, phospholipids, and sphingolipids. Molecular species were
PR:PROJECT_SUMMARY               	resolved by reversed-phase liquid chromatography in the presence of class and
PR:PROJECT_SUMMARY               	sub-class specific internal standard compounds added to each sample. The
PR:PROJECT_SUMMARY               	compounds were detected by tandem mass spectrometry (MS/MS) with scheduled
PR:PROJECT_SUMMARY               	multiple reaction monitoring (MRM) for mass-specific fragment ions according to
PR:PROJECT_SUMMARY               	the lipid class and molecular weight of the compound. Quantification of
PR:PROJECT_SUMMARY               	cholesterol, cholesteryl esters, triglycerides, and diglycerides were directly
PR:PROJECT_SUMMARY               	calculated with standards and internal standards from calibration response
PR:PROJECT_SUMMARY               	curves. The remaining lipid species were semi-quantization using the integrated
PR:PROJECT_SUMMARY               	area of each analyte’s MRM peak, divided by the appropriate internal standard
PR:PROJECT_SUMMARY               	peak area, and multiplied by the standard’s known concentration. Lipid
PR:PROJECT_SUMMARY               	concentrations were normalized to the corresponding protein concentration of
PR:PROJECT_SUMMARY               	each sample and as a mol % relative to total lipids or within each lipid class.
PR:PROJECT_SUMMARY               	Isolated luteal LDs were composed primarily of triglyceride (88%, mol% of lipid
PR:PROJECT_SUMMARY               	class to total lipids). Other neutral lipids included diacylglycerol, 2.9%; and
PR:PROJECT_SUMMARY               	cholesteryl esters, 1.5%. Polar lipids were primarily composed of
PR:PROJECT_SUMMARY               	phosphatidylcholine (3.1%), sphingomyelin (1.5%), phosphatidylinositol (0.9%),
PR:PROJECT_SUMMARY               	phosphatidylethanolamine (0.8%) and phosphatidylserine (0.4%). A number of other
PR:PROJECT_SUMMARY               	minor lipids representing less than 0.32% of the total lipid pool were also
PR:PROJECT_SUMMARY               	detected including phosphatidylglycerol, lysophospholipids, ceramides, and
PR:PROJECT_SUMMARY               	glycosylated ceramides. Lipid composition of bovine luteal LDs are distinct from
PR:PROJECT_SUMMARY               	LDs isolated from other tissues and in other species.
PR:INSTITUTE                     	University of Nebraska Medical Center
PR:DEPARTMENT                    	Obstetrics and Gynecology
PR:LABORATORY                    	John S. Davis
PR:LAST_NAME                     	Davis
PR:FIRST_NAME                    	John
PR:ADDRESS                       	983255 Nebraska Medical Center Omaha, NE 68198-3255
PR:EMAIL                         	jsdavis@unmc.edu
PR:PHONE                         	402-599-9079
PR:FUNDING_SOURCE                	INBRE - P20GM103427-14, COBRE - 1P30GM110768-01
PR:CONTRIBUTORS                  	Heather Talbott, Xiaoying Hou, Crystal Cordes
#STUDY
ST:STUDY_TITLE                   	Lipid composition of isolated lipid droplets from the functional bovine corpus
ST:STUDY_TITLE                   	luteum
ST:STUDY_TYPE                    	Lipidomics
ST:STUDY_SUMMARY                 	Establishment and maintenance of pregnancy is dependent on progesterone
ST:STUDY_SUMMARY                 	synthesized by the corpus luteum (CL). The CL is known for the prominent
ST:STUDY_SUMMARY                 	presence of intracellular lipid droplets (LDs). However relatively little is
ST:STUDY_SUMMARY                 	known about the composition and function of these luteal LDs. Our objective was
ST:STUDY_SUMMARY                 	to identify the lipid composition of LDs from fully functional bovine CLs.
ST:STUDY_SUMMARY                 	Luteal LDs were isolated by flotation through a discontinuous sucrose gradient,
ST:STUDY_SUMMARY                 	lipids were then extracted using a standard Bligh and Dyer protocol, dried, and
ST:STUDY_SUMMARY                 	sent to Avanti Polar Lipids for lipidomics analysis. The samples were provided
ST:STUDY_SUMMARY                 	for lipidomic profiling of free sterols, cholesteryl esters, triglycerides,
ST:STUDY_SUMMARY                 	diacylglycerols, phospholipids, and sphingolipids. Molecular species were
ST:STUDY_SUMMARY                 	resolved by reversed-phase liquid chromatography in the presence of class and
ST:STUDY_SUMMARY                 	sub-class specific internal standard compounds added to each sample. The
ST:STUDY_SUMMARY                 	compounds were detected by tandem mass spectrometry (MS/MS) with scheduled
ST:STUDY_SUMMARY                 	multiple reaction monitoring (MRM) for mass-specific fragment ions according to
ST:STUDY_SUMMARY                 	the lipid class and molecular weight of the compound. Quantification of
ST:STUDY_SUMMARY                 	cholesterol, cholesteryl esters, triglycerides, and diglycerides were directly
ST:STUDY_SUMMARY                 	calculated with standards and internal standards from calibration response
ST:STUDY_SUMMARY                 	curves. The remaining lipid species were semi-quantization using the integrated
ST:STUDY_SUMMARY                 	area of each analyte’s MRM peak, divided by the appropriate internal standard
ST:STUDY_SUMMARY                 	peak area, and multiplied by the standard’s known concentration. Lipid
ST:STUDY_SUMMARY                 	concentrations were normalized to the corresponding protein concentration of
ST:STUDY_SUMMARY                 	each sample and as a mol % relative to total lipids or within each lipid class.
ST:STUDY_SUMMARY                 	Isolated luteal LDs were composed primarily of triglyceride (88%, mol% of lipid
ST:STUDY_SUMMARY                 	class to total lipids). Other neutral lipids included diacylglycerol, 2.9%; and
ST:STUDY_SUMMARY                 	cholesteryl esters, 1.5%. Polar lipids were primarily composed of
ST:STUDY_SUMMARY                 	phosphatidylcholine (3.1%), sphingomyelin (1.5%), phosphatidylinositol (0.9%),
ST:STUDY_SUMMARY                 	phosphatidylethanolamine (0.8%) and phosphatidylserine (0.4%). A number of other
ST:STUDY_SUMMARY                 	minor lipids representing less than 0.32% of the total lipid pool were also
ST:STUDY_SUMMARY                 	detected including phosphatidylglycerol, lysophospholipids, ceramides, and
ST:STUDY_SUMMARY                 	glycosylated ceramides. Lipid composition of bovine luteal LDs are distinct from
ST:STUDY_SUMMARY                 	LDs isolated from other tissues and in other species.
ST:INSTITUTE                     	University of Nebraska Medical Center
ST:DEPARTMENT                    	Obstetrics and Gynecology
ST:LABORATORY                    	John S. Davis
ST:LAST_NAME                     	Davis
ST:FIRST_NAME                    	John
ST:ADDRESS                       	983255 Nebraska Medical Center Omaha, NE 68198-3255
ST:EMAIL                         	jsdavis@unmc.edu
ST:PHONE                         	402-559-9079
ST:NUM_GROUPS                    	1
ST:TOTAL_SUBJECTS                	3
ST:NUM_FEMALES                   	3
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Bos taurus
SU:TAXONOMY_ID                   	9913
SU:GENDER                        	Female
SU:ANIMAL_ANIMAL_SUPPLIER        	JBS Beef Plant 3435 Edward Babe Gomez Ave, Omaha, NE 68107
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	bovine_CL_LD_replicate1	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	bovine_CL_LD_replicate2	Treatment:Control	
SUBJECT_SAMPLE_FACTORS           	-	bovine_CL_LD_replicate3	Treatment:Control	
#COLLECTION
CO:COLLECTION_SUMMARY            	Tissue (~2.5 g) was washed thoroughly in TE buffer (10 mM Tris, 1 mM EDTA, pH
CO:COLLECTION_SUMMARY            	7.4). Minced tissue was resuspended in 10 mL tissue homogenate buffer (60%
CO:COLLECTION_SUMMARY            	sucrose w/v in TE buffer containing protease and phosphatase inhibitor
CO:COLLECTION_SUMMARY            	cocktails) and homogenized with a Teflon Dounce homogenizer in a glass vessel.
CO:COLLECTION_SUMMARY            	The post-nuclear supernatant (PNS) fraction was obtained after centrifugation at
CO:COLLECTION_SUMMARY            	2000 rcf for 10 min. The supernatant was loaded into a 30 mL ultracentrifuge
CO:COLLECTION_SUMMARY            	tube and overlaid sequentially with 40%, 25%, 10%, and 0% sucrose w/v in TE
CO:COLLECTION_SUMMARY            	buffer containing protease and phosphatase inhibitor cocktails. Samples were
CO:COLLECTION_SUMMARY            	centrifuged at 110,000 × g (ravg) for 30 min at 4 °C with no brake in a
CO:COLLECTION_SUMMARY            	Beckman Coulter Avanti J-20 XP ultracentrifuge using an SW 32 Ti rotor. The LDs
CO:COLLECTION_SUMMARY            	concentrated in a yellow-ish band at the top of the gradient were harvested and
CO:COLLECTION_SUMMARY            	concentrated by centrifugation at 2000 rcf for 10 min at 4 °C. This protocol
CO:COLLECTION_SUMMARY            	was derived from Ding et al. 2012, and Brasaemale et al. 2016. Ding, Y., Zhang,
CO:COLLECTION_SUMMARY            	S., Yang, L., Na, H., Zhang, P., Zhang, H., … Liu, P. (2013). Isolating lipid
CO:COLLECTION_SUMMARY            	droplets from multiple species. Nature Protocols, 8(1), 43–51.
CO:COLLECTION_SUMMARY            	https://doi.org/10.1038/nprot.2012.142 Brasaemle, D. L., & Wolins, N. E. (2016).
CO:COLLECTION_SUMMARY            	Isolation of Lipid Droplets from Cells by Density Gradient Centrifugation.
CO:COLLECTION_SUMMARY            	Current Protocols in Cell Biology, 72, 3.15.1-3.15.13.
CO:COLLECTION_SUMMARY            	https://doi.org/10.1002/cpcb.10
CO:SAMPLE_TYPE                   	Ovary
CO:VOLUMEORAMOUNT_COLLECTED      	2.5 g of corpus luteum tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	N/A
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids from CL tissue LDs (~250uL) were extracted using a standard Bligh and
SP:SAMPLEPREP_SUMMARY            	Dyer extraction protocol and then dried and sent to Avanti Polar Lipids for
SP:SAMPLEPREP_SUMMARY            	lipidomics analysis. Extracts were received as dried residues in glass vials and
SP:SAMPLEPREP_SUMMARY            	were immediately stored at -80 °C until analysis. Bligh, E. G., & Dyer, W. J.
SP:SAMPLEPREP_SUMMARY            	(1959). A rapid method of total lipid extraction and purification. Canadian
SP:SAMPLEPREP_SUMMARY            	Journal of Biochemistry and Physiology, 37(8), 911–917.
SP:SAMPLEPREP_SUMMARY            	https://doi.org/10.1139/o59-099
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACTION_METHOD             	Bligh & Dyer, chloroform:methanol (1:2, v:v)
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	1mL of chloroform:methanol (8:2, v/v)
SP:SAMPLE_DERIVATIZATION         	N/A
SP:SUBCELLULAR_LOCATION          	Lipid Droplet
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Molecular species were resolved by reversed-phase liquid chromatography in the
CH:CHROMATOGRAPHY_SUMMARY        	presence of class and sub-class specific internal standard compounds added to
CH:CHROMATOGRAPHY_SUMMARY        	each sample. Selectivity was further enhanced by scheduling the detection of
CH:CHROMATOGRAPHY_SUMMARY        	each compound according to its elution from the high-performance liquid
CH:CHROMATOGRAPHY_SUMMARY        	chromatography (HPLC) column, known as scheduled MRM (sMRM).
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (50 x 1.2mm, 1.7um)
CH:INTERNAL_STANDARD             	DG(28:0)-d5, DG(30:0)-d5, DG(32:0)-d5, DG(34:0)-d5, DG(38:0)-d5, DG(40:10)-d5,
CH:INTERNAL_STANDARD             	DG(40:8)-d5, DG(40:4)-d5, DG(40:0)-d5, TG(44:1)-d5, TG(48:1)-d5, TG(50:0)-d5,
CH:INTERNAL_STANDARD             	TG(51:1)-d5, TG(58:10)-d5, TG(58:7)-d5, TG(62:16)-d5, TG(60:1)-d5
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Avanti Polar Lipids, Inc
AN:DETECTOR_TYPE                 	AcQuRate™ Pulse Counting CEM
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	MI M+NH4
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nM
MS_METABOLITE_DATA_START
Samples	bovine_CL_LD_replicate1	bovine_CL_LD_replicate2	bovine_CL_LD_replicate3
Factors	Treatment:Control	Treatment:Control	Treatment:Control
DG(28:3)	0.288690892	0.033618557	0.161130057
DG(28:2)	0.241678411	0.168364789	0.024239787
DG(30:4)	0.17773812	0.064020668	0.002444408
DG(30:3)	0.008542412	0.048992597	0.026251922
DG(30:2)	0.480513813	0	0
DG(32:3)	0.225935106	0.167771468	0.320563211
DG(32:2)	1.489596149	1.000470259	7.142610022
DG(32:1)	8.180266273	4.347258879	42.71847834
DG(32:0)	114.4429915	41.86611231	179.7952184
DG(34:4)	0.649277823	0.127999156	0.473780392
DG(34:3)	3.473544331	1.699301586	16.42902794
DG(34:2)	26.50518748	7.441614266	115.1173028
DG(34:1)	63.10424737	27.62987921	289.6308516
DG(34:0)	233.9014838	85.82322031	182.4792579
DG(36:5)	0.991819773	0.728871146	5.445679815
DG(36:4)	0.434060194	0.611961575	21.91767662
DG(36:3)	13.66733977	6.040622823	75.2978869
DG(36:2)	23.47172571	19.07968499	147.5007143
DG(36:1)	20.95987315	11.20552861	105.2339218
DG(36:0)	235.1825732	91.70416374	177.0248868
DG(38:6)	0.684516326	0.643408875	3.058314244
DG(38:5)	5.673904622	2.930748354	35.05927209
DG(38:4)	8.679150655	5.021118479	48.6697271
DG(38:3)	6.194183599	4.061044998	42.41149739
DG(38:2)	6.239569252	3.132026005	36.11987469
DG(38:1)	2.808178492	1.851235534	14.54726485
DG(38:0)	3.815381391	1.978376621	4.215417724
DG(40:7)	0.990336908	1.325552536	13.96338729
DG(40:6)	1.796777463	3.018785857	38.16236886
DG(40:4)	1.025174882	1.41897008	13.32190957
TG(48:4)	1.673147493	1.06742136	9.835183473
TG(48:3)	14.12897513	0.423144533	73.89881599
TG(48:2)	88.54658186	0	249.8185752
TG(48:1)	300.5769492	113.5701616	776.0884694
TG(48:0)	182.0998291	56.23878118	696.2990508
TG(50:4)	18.59236942	5.108409054	277.9494484
TG(50:3)	271.3388285	112.2858943	900.8327532
TG(50:2)	837.2233664	340.3113149	3226.904082
TG(50:1)	1335.919403	574.0693675	4681.091573
TG(50:0)	261.1356253	110.0713003	806.6900992
TG(52:6)	0	0	91.05326778
TG(52:5)	11.09784585	5.631451167	954.8032982
TG(52:4)	836.8292098	311.8625365	3150.458155
TG(52:3)	1990.741469	886.8174046	6766.08752
TG(52:2)	2773.895052	1335.720433	8969.720462
TG(52:1)	1183.415432	542.2862623	4048.363517
TG(54:7)	113.2135397	39.0696713	454.2624291
TG(54:6)	549.803904	192.4336198	2439.228926
TG(54:5)	1096.716785	363.7357541	5720.902823
TG(54:4)	796.2721331	367.3417862	5423.551681
TG(54:3)	1464.787261	703.8774665	5685.73235
TG(54:2)	977.2716847	491.6361654	4065.426509
TG(56:10)	248.8882626	93.3348648	1171.270023
TG(56:9)	724.2535767	287.5396823	3713.061669
TG(56:8)	1578.823984	690.3620819	7210.040473
TG(56:7)	1252.568854	508.4789411	6509.644135
TG(56:6)	0	0	0
TG(56:5)	284.9019531	147.1336952	1739.794278
TG(56:4)	155.4582697	90.57742945	937.0795219
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	Mass	MW structure	Mass Info (precursor ion, product ion)	Retention time	Human Metabolome Database	InChIKey	LipidMAPS	quantified m/z
DG(28:3)	C31H54O5	506.3971		524.5 / 489.5	0.82				524.5
DG(28:2)	C31H56O5	508.4128		526.5 / 491.5	1.02	HMDB0007038	UOMACDOEROJUON-XRZSNXEXSA-N	LMGL02010325	526.5
DG(30:4)	C33H56O5	532.412775		550.5 / 515.5	0.69				550.5
DG(30:3)	C33H58O5	534.428425		552.5 / 517.5	1.04				552.5
DG(30:2)	C33H60O5	536.4441		554.5 / 519.5	1.35				554.5
DG(32:3)	C35H62O5	562.4597		580.5 / 545.5	0.9				580.5
DG(32:2)	C35H64O5	564.4754		582.5 / 547.5	1.1	HMDB0007128	HSQHRRHRYJNSOC-DWCRPSDDSA-N	LMGL02010011	582.5
DG(32:1)	C35H66O5	566.491		584.5 / 549.5	1.34				584.5
DG(32:0)	C35H68O5	568.5067		586.5 / 551.5	1.68				586.5
DG(34:4)	C37H64O5	588.4754		606.5 / 571.5	1.12				606.5
DG(34:3)	C37H66O5	590.491		608.5 / 573.5	1.16				608.5
DG(34:2)	C37H68O5	592.5067		610.5 / 575.5	1.48				610.5
DG(34:1)	C37H70O5	594.5223		612.5 / 577.5	1.76	HMDB0007102	YEJYLHKQOBOSCP-OZKTZCCCSA-N	LMGL02010006	612.5
DG(34:0)	C37H72O5	596.538		614.5 / 579.5	2.12	HMDB0056010	BFTGWUUHOMAGPO-PGUFJCEWSA-N		614.5
DG(36:5)	C39H66O5	614.491		632.5 / 597.5	1.08				632.5
DG(36:4)	C39H68O5	616.5067		634.5 / 599.5	1.26				634.5
DG(36:3)	C39H70O5	618.5223		636.5 / 601.5	1.52	HMDB0007219	BLZVZPYMHLXLHG-JOBMVARSSA-N	LMGL02010056	636.5
DG(36:2)	C39H72O5	620.538		638.5 / 603.5	1.82	HMDB0007218	AFSHUZFNMVJNKX-LLWMBOQKSA-N	LMGL02010049	638.5
DG(36:1)	C39H74O5	622.5536		640.5 / 605.5	2.22				640.5
DG(36:0)	C39H76O5	624.5693		642.5 / 607.5	2.62				642.5
DG(38:6)	C41H68O5	640.5067		658.5 / 623.5	1.2	HMDB0007314	YDVDXUYJFQLPEG-CTHJWPIASA-N	LMGL02010130	658.5
DG(38:5)	C41H70O5	642.5223		660.5 / 625.5	1.44	HMDB0007312	GRGDLDNREYVILP-CNWVQWJYSA-N	LMGL02010119	660.5
DG(38:4)	C41H72O5	644.538		662.5 / 627.5	1.64				662.5
DG(38:3)	C41H74O5	646.5536		664.5 / 629.5	1.94	HMDB0007310	KYOOZXPNLNVRQD-CVALLSOGSA-N	LMGL02010098	664.5
DG(38:2)	C41H76O5	648.5693		666.5 / 631.5	2.31				666.5
DG(38:1)	C41H78O5	650.5849		668.5 / 633.5	2.67				668.5
DG(38:0)	C41H80O5	652.6006		670.5 / 635.5	3.18				670.5
DG(40:7)	C43H70O5	666.5223		684.6 / 649.6	0.82				684.6
DG(40:6)	C43H72O5	668.538		686.6 / 651.6	1.17	HMDB0007179	LBDXVTOFXXDOGH-KXYFHQNYSA-N	LMGL02010216	686.6
DG(40:4)	C43H76O5	672.5693		690.6 / 655.6	1.99	HMDB0007373	OUGXERRDRINUQU-AICYSBPGSA-N	LMGL02010165	690.6
TG(48:4)	C51H90O6	798.6737		816.7 / 816.7	3.84				816.7
TG(48:3)	C51H92O6	800.6894		818.7 / 818.7	4.18	HMDB0005432	SKGWNZXOCSYJQL-BUTYCLJRSA-N	LMGL03010020	818.7
TG(48:2)	C51H94O6	802.705		820.7 / 820.7	4.59	HMDB0005376	RUOVJPPUXXFZPC-YZEIBMOJSA-N	LMGL03010018	820.7
TG(48:1)	C51H96O6	804.7207		822.7 / 822.7	4.97	HMDB0005359	FEKLSEFRUGWUOS-DLOIZKPKSA-N	LMGL03010017	822.7
TG(48:0)	C51H98O6	806.7363		824.7 / 824.7	5.35	HMDB0005356	PVNIQBQSYATKKL-UHFFFAOYSA-N	LMGL03010001	824.7
TG(50:4)	C53H94O6	826.705		844.7 / 844.7	4.32	HMDB0005435	PVMBAGXWHHZKFP-JMPJWMFJSA-N	LMGL03010064	844.7
TG(50:3)	C53H96O6	828.7207		846.7 / 846.7	4.67	HMDB0005433	UFHNZOACKFBCOM-YXKNDSBASA-N	LMGL03010052	846.7
TG(50:2)	C53H98O6	830.7363		848.7 / 848.7	5.03	HMDB0005430	QEZWFCZNHWUARW-XQCAQTCHSA-N	LMGL03010042	848.7
TG(50:1)	C53H100O6	832.752		850.7 / 850.7	5.39	HMDB0005360	YHMDGPZOSGBQRH-YYSBDVFPSA-N	LMGL03010006	850.7
TG(50:0)	C53H102O6	834.7676		852.7 / 852.7	5.77	HMDB0043913	QRJMBNGGFSPTQP-UHFFFAOYSA-N		852.7
TG(52:6)	C55H94O6	850.705		868.7 / 868.7	4.05				868.7
TG(52:5)	C55H96O6	852.7207		870.7 / 870.7	4.43	HMDB0005446	CQZAAIKPSLHIBC-KDJOUNIJSA-N	LMGL03010163	870.7
TG(52:4)	C55H98O6	854.7363		872.7 / 872.7	4.75	HMDB0005440	WHSWXEYWNPTUPW-HNJDVRDNSA-N	LMGL03010142	872.7
TG(52:3)	C55H100O6	856.752		874.7 / 874.7	5.09		KGLAHZTWGPHKFF-FBSASISJSA-N		874.7
TG(52:2)	C55H102O6	858.7676		876.7 / 876.7	5.43		JFISYPWOVQNHLS-NBHCHVEOSA-N		876.7
TG(52:1)	C55H104O6	860.7833		878.7 / 878.7	5.8	HMDB0005367	NPCZZYKITFKRQZ-RFBIWTDZSA-N		878.7
TG(54:7)	C57H96O6	876.7207		894.7 / 894.7	4.26				894.7
TG(54:6)	C57H98O6	878.7363		896.7 / 896.7	4.49	HMDB0005474	HBOQXIRUPVQLKX-BBWANDEASA-N	LMGL03010371	896.7
TG(54:5)	C57H100O6	880.752		898.7 / 898.7	4.83	HMDB0005461	VVEBTVMJPTZDHO-YQFZQLSNSA-N	LMGL03010327	898.7
TG(54:4)	C57H102O6	882.7676		900.7 / 900.7	5.15		BRLGHZXETDWABO-NOFIOOQLSA-N	LMGL03010291	900.7
TG(54:3)	C57H104O6	884.7833		902.7 / 902.7	5.49	HMDB0005453	PHYFQTYBJUILEZ-IUPFWZBJSA-N	LMGL03010250	902.7
TG(54:2)	C57H106O6	886.7989		904.7 / 904.7	5.85	HMDB0031144	RYNHWWNZNIGDAQ-WGSDILPMSA-N		904.7
TG(56:10)	C59H94O6	898.705		920.7 / 920.7	4.57				920.7
TG(56:9)	C59H96O6	900.7207		922.7 / 922.7	4.71				922.7
TG(56:8)	C59H98O6	902.7363		924.7 / 924.7	5.07	HMDB0005392	UBGUHMDKBGQUND-VPFWBQFRSA-N	LMGL03010801	924.7
TG(56:7)	C59H100O6	904.752		926.7 / 926.7	5.42	HMDB0010492	DODZUDCYRVWEOJ-GKZBLMSTSA-N	LMGL03010734	926.7
TG(56:6)	C59H102O6	906.7676		928.7 / 928.7	6.28	HMDB0010491	ZTNDRFCABXFVMY-WJTCTALZSA-N	LMGL03010663	928.7
TG(56:5)	C59H104O6	908.7833		930.7 / 930.7	5.89	HMDB0005473	UHEJWASONFIROS-YPSHDQQVSA-N	LMGL03010596	930.7
TG(56:4)	C59H106O6	910.7989		932.7 / 932.7	5.44	HMDB0005460	YONCDTJKIZDSKQ-IYASBODOSA-N	LMGL03010538	932.7
METABOLITES_END
#END