#METABOLOMICS WORKBENCH jwalejko_20180910_135540 DATATRACK_ID:1497 STUDY_ID:ST001061 ANALYSIS_ID:AN001731 PROJECT_ID:PR000711
VERSION             	1
CREATED_ON             	September 21, 2018, 2:33 pm
#PROJECT
PR:PROJECT_TITLE                 	Multi-omics Approach Reveals Metabolic Changes in the Heart at Birth
PR:PROJECT_SUMMARY               	During late gestation, the fetal heart primarily relies on glucose and lactate
PR:PROJECT_SUMMARY               	to support rapid growth and development. While numerous studies describe changes
PR:PROJECT_SUMMARY               	in heart metabolism a few weeks after birth to preferentially utilize fatty
PR:PROJECT_SUMMARY               	acids, little is known about metabolic changes of the heart within the first day
PR:PROJECT_SUMMARY               	following birth. Therefore, we used the ovine model of pregnancy to investigate
PR:PROJECT_SUMMARY               	metabolic differences between the near-term fetal and the newborn heart. Samples
PR:PROJECT_SUMMARY               	were collected for metabolomic, lipidomic, and transcriptomic approaches from
PR:PROJECT_SUMMARY               	the left and right ventricles and intraventricular septum in 7 fetuses at
PR:PROJECT_SUMMARY               	gestational day 142 and 7 newborn lambs on the day of birth. We observed greater
PR:PROJECT_SUMMARY               	abundance of metabolites involved in butanoate and propanoate metabolism, and
PR:PROJECT_SUMMARY               	glycolysis in the term fetal heart (FDR-corrected p<0.10) and differential
PR:PROJECT_SUMMARY               	expression in these pathways were confirmed with single-sample gene set
PR:PROJECT_SUMMARY               	enrichment analysis (ssGSEA) (FDR-corrected p<0.05). Immediately following
PR:PROJECT_SUMMARY               	birth, newborn hearts displayed enrichment in purine, fatty acid, and
PR:PROJECT_SUMMARY               	glycerophospholipid metabolic pathways, as well as oxidative phosphorylation
PR:PROJECT_SUMMARY               	with significant alterations in both lipids and metabolites to support
PR:PROJECT_SUMMARY               	transcriptomic findings. While other studies suggest a switch from carbohydrate
PR:PROJECT_SUMMARY               	metabolism to fatty acid metabolism in the neonatal heart in as early as 2 weeks
PR:PROJECT_SUMMARY               	following birth, our data show that this metabolic switch in the heart begins by
PR:PROJECT_SUMMARY               	the first day of postnatal life. A better understanding of metabolic alterations
PR:PROJECT_SUMMARY               	that occur in the heart following birth may improve treatment of neonates at
PR:PROJECT_SUMMARY               	risk for heart failure.
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Pharmacodynamics
PR:LAST_NAME                     	Keller-Wood
PR:FIRST_NAME                    	Maureen
PR:ADDRESS                       	1345 SW Archer Rd, PO 100487, Gainesville, FL, 32610
PR:EMAIL                         	kellerwd@cop.ufl.edu
PR:PHONE                         	NA
#STUDY
ST:STUDY_TITLE                   	Lipidomics of Near-Term Fetal and Newborn Sheep Cardiac Tissue
ST:STUDY_TYPE                    	Comparison
ST:STUDY_SUMMARY                 	Cardiac tissue from near-term fetal and newborn sheep were compared via NMR
ST:STUDY_SUMMARY                 	metabolomic analysis
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Biochemistry & Molecular Biology
ST:LAST_NAME                     	Walejko
ST:FIRST_NAME                    	Jacquelyn
ST:ADDRESS                       	R3-226 Academic Research Building, Department of Biochemistry and Molecular
ST:ADDRESS                       	Biology, PO Box 100245, Gainesville, FL 32610-0245
ST:EMAIL                         	jwalejko@ufl.edu
ST:PHONE                         	na
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	14
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Ovis aries
SU:TAXONOMY_ID                   	9940
SU:AGE_OR_AGE_RANGE              	142 days gestation (fetal); Within 24 hours of birth (newborn)
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	1355A	1355A_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1355B	1355B_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1555	1555_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1237A	1237A_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1562	1562_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1237B	1237B_RV	Age:Fetal | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	1477	1477_RV	Age:Newborn | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1462	1462_RV	Age:Newborn | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1481	1481_RV	Age:Fetal | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	5562A	5562A_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	1767A	1767A_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	5562C	5562C_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	1767B	1767B_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	5562B	5562B_RV	Age:Newborn | Sex:Male	
#COLLECTION
CO:COLLECTION_SUMMARY            	Ewes were assigned to one of two groups: (1) a fetal group (n=7, 3 singleton and
CO:COLLECTION_SUMMARY            	2 multiple gestation pregnancies); (2) a newborn group (n=7, 2 singleton and 2
CO:COLLECTION_SUMMARY            	multiple gestation pregnancies). Heart tissue was collected from the right
CO:COLLECTION_SUMMARY            	ventricle (RV), left ventricle (LV), and intraventricular septum (IVS) on the
CO:COLLECTION_SUMMARY            	day of birth (newborn group) or at gestational day 142 (fetal group) and
CO:COLLECTION_SUMMARY            	immediately frozen in liquid nitrogen. Samples were stored at -80 °C until data
CO:COLLECTION_SUMMARY            	collection.
CO:SAMPLE_TYPE                   	Cardiac tissue
CO:COLLECTION_METHOD             	Heart tissue was collected under sterile conditions and immediately frozen in
CO:COLLECTION_METHOD             	liquid nitrogen
CO:COLLECTION_LOCATION           	University of Florida
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Cryovials
CO:STORAGE_VIALS                 	Cryovials
#TREATMENT
TR:TREATMENT_SUMMARY             	NA
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Homogenized right ventricle tissue samples (100 mg from 7 fetuses and 7
SP:SAMPLEPREP_SUMMARY            	newborns) were used for lipid extraction via the Folch method. Briefly, 2 mL of
SP:SAMPLEPREP_SUMMARY            	internal standard mixture was added to each sample before adding 1.2 mL of 2:1
SP:SAMPLEPREP_SUMMARY            	chloroform/methanol solution (HPLC-grade). Samples were incubated at 4 °C for
SP:SAMPLEPREP_SUMMARY            	20 min with occasional vortexing. Following incubation, 200 mL of water
SP:SAMPLEPREP_SUMMARY            	(HPLC-grade) was added and samples were incubated at 4 °C for 10 min. Samples
SP:SAMPLEPREP_SUMMARY            	were centrifuged at 2,000 g for 5 min at 4 °C, and the resulting chloroform
SP:SAMPLEPREP_SUMMARY            	layer was removed and transferred into a clean tube. The extraction process was
SP:SAMPLEPREP_SUMMARY            	repeated with 400 mL 2:1 chloroform/methanol (HPLC-grade) and the resulting
SP:SAMPLEPREP_SUMMARY            	chloroform layers were combined. Samples were dried under a nitrogen stream at
SP:SAMPLEPREP_SUMMARY            	30 °C and stored at -80 °C until reconstitution. Samples were reconstituted
SP:SAMPLEPREP_SUMMARY            	with 200 mL of isopropanol and 2 mL injection standard mixture. Ammonium acetate
SP:SAMPLEPREP_SUMMARY            	and all analytical grade solvents (formic acid, chloroform, and methanol) were
SP:SAMPLEPREP_SUMMARY            	purchased from Fisher Scientific (Waltham, MA, USA). All mobile phase solvents
SP:SAMPLEPREP_SUMMARY            	were Fisher Optima LC/MS-grade (acetonitrile, isopropanol, and water).
SP:PROCESSING_METHOD             	50 mg of tissue was weighed and added to tubes with three 3mm glass beads, two
SP:PROCESSING_METHOD             	5mm steal beads, and 0.7mm zirconia beads (“2 squirts”). HPLC-water (1mL)
SP:PROCESSING_METHOD             	was added to each tube before homogenization at 1800 rpm for 30 seconds for 5
SP:PROCESSING_METHOD             	rounds. Samples were incubated at 4C for 20 min between rounds. Following
SP:PROCESSING_METHOD             	homogenization, samples were centrifuged at 2,000g for 10 min at 4C to pellet
SP:PROCESSING_METHOD             	tissue debris before transferring supernatant to a clean tube. Homogenates were
SP:PROCESSING_METHOD             	stored at -80C.
SP:EXTRACTION_METHOD             	2 uL of internal standard mixture was added to each sample before adding 1.2 mL
SP:EXTRACTION_METHOD             	of 2:1 chloroform/methanol solution (HPLC-grade). Samples were incubated at 4
SP:EXTRACTION_METHOD             	°C for 20 min with occasional vortexing. Following incubation, 200 mL of water
SP:EXTRACTION_METHOD             	(HPLC-grade) was added and samples were incubated at 4 °C for 10 min. Samples
SP:EXTRACTION_METHOD             	were centrifuged at 2,000 g for 5 min at 4 °C, and the resulting chloroform
SP:EXTRACTION_METHOD             	layer was removed and transferred into a clean tube. The extraction process was
SP:EXTRACTION_METHOD             	repeated with 400 mL 2:1 chloroform/methanol (HPLC-grade) and the resulting
SP:EXTRACTION_METHOD             	chloroform layers were combined. Samples were dried under a nitrogen stream at
SP:EXTRACTION_METHOD             	30 °C (Organomation Associated MultiVap) and stored at -80 °C until
SP:EXTRACTION_METHOD             	reconstitution.
SP:SAMPLE_RESUSPENSION           	Samples were reconstituted with 200 mL of isopropanol and 2 mL injection
SP:SAMPLE_RESUSPENSION           	standard mixture and vortexed to mix. Fifty uL of reconstituted sample was
SP:SAMPLE_RESUSPENSION           	transferred to a glass LC vial for analysis.
SP:SAMPLE_SPIKING                	Internal standards: lysophosphatidylcholine (17:0), phosphatidylcholine
SP:SAMPLE_SPIKING                	(17:0/17:0), phosphatidylglycerol (14:0/14:0), phosphatidylethanolamine
SP:SAMPLE_SPIKING                	(15:0/15:0), phosphatidylserine (14:0/14:0), triglyceride (15:0/15:0/15:0).
SP:SAMPLE_SPIKING                	Injection Standards: lysophosphatidylcholine (19:0), phosphatidylcholine
SP:SAMPLE_SPIKING                	(19:0/19:0), phosphatidylglycerol (17:0/17:0), phosphatidylethanolamine
SP:SAMPLE_SPIKING                	(17:0/17:0), phosphatidylserine (17:0/17:0), triglyceride (17:0/17:0/17:0).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Normal phase
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (50 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	80% A and 20% B at 0 min; 80% A and 20% B at 1 min; 70% A and 30% B at 3 min;
CH:FLOW_GRADIENT                 	55% A and 45% B at 4 min; 40% A and 60% B at 6 min; 35% A and 65% B at 8 min;
CH:FLOW_GRADIENT                 	35% A and 65% B at 10 min; 10% A and 90% B at 15 min; 2% A and 98% B at 17 min;
CH:FLOW_GRADIENT                 	2% A and 98% B at 18 min; 80% A and 20% B at 19 min; 80% A and 20% B at 23 min
CH:FLOW_RATE                     	0.5mL/min
CH:COLUMN_TEMPERATURE            	4C
CH:SOLVENT_A                     	Acetonitrile:H2O (60:40) with 10mM ammonium formate and 0.1% formic acid
CH:SOLVENT_B                     	Isopropanol:acetonitrile:H2O (90:8:2) with 10mM ammonium formate and 0.1% formic
CH:SOLVENT_B                     	acid
CH:SAMPLE_INJECTION              	2 uL
CH:ANALYTICAL_TIME               	18 min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Timothy Garrett
AN:OPERATOR_NAME                 	Jeremy Koelmel
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_TEMPERATURE         	250C
MS:IONIZATION                    	Heated electrospray
MS:SPRAY_VOLTAGE                 	1500
MS:RESOLUTION_SETTING            	70,000
MS:SCAN_RANGE_MOVERZ             	200-2200 m/z
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Relative peak area
MS_METABOLITE_DATA_START
Samples	1355A_RV	1355B_RV	1555_RV	1237A_RV	1562_RV	1237B_RV	1477_RV	1462_RV	1481_RV	5562A_RV	1767A_RV	5562C_RV	1767B_RV	5562B_RV
Factors	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Female	Age:Newborn | Sex:Male	Age:Newborn | Sex:Male	Age:Fetal | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Male
AcCa(10:0)	561058.634	1438133.908	1142974.32	866563.013	656684.238	705210.792	2177338.036	2771737.854	466799.0116	6246897.806	7964457.44	10549250.61	2892824.663	6482419.593
AcCa(8:0)	1017812.455	2003840.046	1467794.394	718480.4406	1104488.789	798404.4402	1492463.598	2284180.591	610613.1766	3995306.965	5670753.659	7265760.669	2751321.786	5256495.972
Cer(d18:1/17:0)	47142765.8	34531757.99	35629715.73	31302158.04	45746762.71	50641891.8	47167947.1	12390369.85	32401765.69	50245417.59	44602477.92	34995052.26	10462973.77	34296862.9
CL(34:2)(36:2)	4079465.784	2999976.278	4907840.576	2463379.568	2736480.507	1768060.89	4062639.25	3017660.812	2493133.58	1324158.641	3539819.56	1790302.389	950172.8936	2830724.457
CL(34:2)(36:3)	4026767.806	3223208.257	2620936.602	1702578.108	1845382.554	885913.7024	2864232.646	3941312.064	2208404.101	1397344.877	2298969.023	2325565.963	689839.8897	3045204.514
CL(36:2)(36:2)	4163566.823	2550585.243	4651193.568	3041126.489	2486205.02	1989321.342	3724543.72	2596675.735	2644936.113	1615353.931	4057199.895	1524759.302	1036909.673	2082652.83
CL(36:2)(36:3)	6798080.16	5201610.377	4371384.537	3902111.519	3217255.734	1737959.879	4528427.822	6179001.67	3791045.832	3254430.604	4578749.618	3505066.749	1419596.86	4379148.241
CL(36:3)(36:3)	3496440.505	3207628.4	1544547.032	1703617.304	1436018.916	571813.6796	2072086.248	5595955.549	2020095.761	2205149.605	2005974.658	2962380.345	729049.7361	3248783.344
Co(Q10)	31612598.93	40769858.78	35390964.02	18188325.68	22610339.96	20326748.56	49537510.33	45882583.71	29137304.45	23523040.55	47716339.7	40299721.51	18692774.9	39897302.31
Co(Q9)	188752.9067	188880.6772	130203.6654	64718.85671	219474.3869	98085.14448	305557.844	648494.2043	277800.0574	218752.8233	459610.3166	335093.772	62990.05379	389434.8911
DG(14:0_14:0)	2889039.187	2002290.313	2087808.523	1999721.093	2775607.7	3164935.83	3025362.314	815280.7293	1978547.744	3176056.383	2751395.296	2129168.086	588483.9408	2014761.091
DG(18:0_18:1)	483268.195	373100.8669	320794.1938	179507.8568	227447.5154	171345.1348	517219.7041	1031929.097	181311.7733	130951.9712	725834.1998	357198.8255	132052.2217	225098.6728
DG(18:1_18:1)	967956.098	811164.2004	748838.5965	357513.4293	531231.2211	486250.7844	2691960.062	2506291.289	753995.9893	512275.9055	3407136.549	1015200.851	745841.843	939939.5898
DG(20:5_22:6)	429560.2825	445861.0272	1228554.693	217926.3717	545117.7491	311164.01	1778068.852	1225672.938	365033.5762	104604.1974	477145.8699	324523.052	104936.9972	433412.1957
LPC(16:0)	9028362.592	8320224.536	11787792.05	9338855.482	9477026.826	9500959.999	14472343.87	15411105.67	15370963.87	1138701.719	7761949.863	8417502.681	1849925.541	8860520.891
LPC(17:0)	61505543.46	44749715.94	48395747.99	40307993.15	60340958.55	74379694.17	64197738.69	18039609.61	33051943.66	64695588.71	59828829.1	47776452.15	13691842.22	39129605.09
LPC(18:0)	2365217.583	1913453.225	2571855.414	1879463.129	1893985.776	2347086.996	2144904.414	2598998.503	2314302.596	372533.3182	1646932.266	2077782.607	445723.0301	2375029.352
LPC(18:1)	4098938.905	2714007.967	4534882.361	4771611.686	4286141.952	6982751.246	9314157.772	4009086.905	7982927.475	1114027.072	9181400.198	2407974.42	885422.2491	2522162.814
LPC(19:0)	157913069.3	34657731.8	81092943.98	107085302.3	33836062.19	187659598.5	59570385.81	111243329.5	86458187.76	71072445.12	100233137.2	113682196	75428506.36	103477728.5
LPE(18:0)	1600107.337	1357145.103	1862358.015	1569367.037	1407399.547	1976331.206	1958466.868	2194613.161	1874396.814	150736.2968	2020776.923	2066911.23	550474.9537	1926516.698
LPE(18:1)	480269.9241	411592.4859	724889.8089	399202.8742	501755.6973	682376.1502	899436.1848	690447.2287	784985.3412	42254.96193	875710.908	492879.3438	128383.2492	444457.7864
LPE(20:4)	688494.5806	605226.9877	647696.176	710047.1462	564231.6506	468018.3268	1469733.879	810628.7506	1340706.88	115201.7104	824054.8923	676530.3303	138785.1243	386387.3432
OxLPC(15:0(COOH))	361781.621	60409.83144	146996.8987	231208.4512	66892.87721	88726.31213	53062.32358	82327.05847	111966.2111	16344.97235	103112.7411	81322.08082	2063.138054	159688.4146
OxLPC(17:2(Ke))	730012.061	139051.538	379866.7905	232396.6369	112604.5704	147878.273	111598.9216	243338.7463	305690.4755	16098.29251	220908.2738	80689.405	2252.336675	167975.4019
OxLPC(17:2(OO))	2644251.982	613808.8283	1429676.358	968218.8722	677789.9327	622810.8026	757050.0296	912255.1505	1215530.129	168601.1659	1030256.437	404638.131	3587.629254	750508.9038
OxLPC(19:4(COOH))	1861876.685	613262.6291	1006264.162	1080126.07	580677.6601	453165.2745	441577.2559	1230172.493	1170127.831	256505.2081	436984.5356	798487.0184	17565.35396	1048189.48
OxLPC(19:5(CHO))	937314.712	299400.1638	477717.8227	536050.1466	262725.0057	228119.7831	200405.295	539743.4421	562435.5521	101713.2954	220735.6697	341170.8553	0	493715.1883
PC(15:0_18:1)	10510623.6	10282861.19	13424783.38	5530725.592	6609924.396	5846310.551	7920140.774	5533702.844	8497594.076	1338333.551	6131741.305	2699625.279	1286675.707	3352362.32
PC(16:0_16:0)	24582639.25	28473504.39	40510855.88	22196607.9	25335553.24	22346695.95	24409412.86	26140401.3	21932919.99	8040671.299	16215950.39	16782256.53	4294815.532	17967150.38
PC(16:0_16:1)	25202447.95	24788445.26	45152965.57	18700081.28	24254423.33	22933379.93	30491517.89	22419438.33	23323008.51	4995885.563	16609015.36	11226351.15	4852743.25	13884237.63
PC(16:0_18:1)	483246274.4	390146113.1	534594372.4	307093687.4	334595226.9	293594102.6	337669352.3	323371505.6	407003907	90292922.3	312366560.4	179703777.1	68313019.3	201935625.5
PC(16:0_18:2)	38176920.51	34698418.95	45593835.68	23969866.15	25310582.9	23175270.34	58438867.24	69300841.84	29456622.33	16124679.64	42727778.5	41552220.24	15476666.25	50505857.12
PC(16:0_20:3)	2601528.42	2342874.286	2305497.559	1529619.667	1898326.067	1691072.592	1655510.545	1812868.547	2153336.275	698556.3314	1349288.648	1419505.812	602143.7037	1789851.102
PC(16:0_20:4)	43303302.7	43369999.18	31660878.9	27470637.01	31048361.85	21340452.05	18528326.66	41725011.93	30727765.94	14516793.8	10271345.8	29897696.78	5634140.491	23784630.63
PC(16:0_22:5)	17213718.13	16953440.9	15473870.65	12250083.71	12321862.53	11098237.72	8979398.585	19397766.78	10950399.09	5082012.744	8665424.616	11618227.24	3503150.233	9428031.028
PC(16:0_22:6)	6057859.496	5494952.849	3854735.305	4871554.135	4771716.166	3202955.343	2454003.184	7178106.97	3529276.934	1258585.442	1920461.787	2640902.531	1344957.556	1705334.973
PC(17:0_17:0)	42761419.35	32253384.33	35398019.89	27538218.49	40477045.5	47918040.06	41894849.78	13070170.94	18653582.82	41221434.37	38012948.71	31902294.27	8881987.533	25510687.02
PC(17:0_18:1)	14081705.61	11942127.81	12157865.16	6579861.338	7112400.297	5657899.365	7881554.207	7861298.628	9446987.698	2440149.533	7969896.336	4190469.659	1750192.782	4486738.461
PC(18:0_18:1)	89270099.22	68534864.02	94789577.28	59532693.69	61846168.24	70127464.39	53306899.54	42817407.73	52203065.32	24142268.97	60813951.02	38424358.86	13564226.15	43222200.18
PC(18:0_20:3)	10311904.17	9331487.56	8132299.581	5561797.633	6239584.041	6037139.44	4160575.036	5389223.619	5128919.584	3894001.356	4221009.576	5716740.284	1770578.62	4769274.45
PC(18:0_20:4)	20862403.79	18698695.48	15553234.92	10979666.88	13532499.93	9284312.834	5914800.19	12751466.05	9412179.737	7409565.572	5460768.725	12503304.12	1918005.565	9460335.556
PC(18:0_22:5)	3075743.028	2899676.35	3793379.71	2882848.859	2270866.959	2886349.239	1634773.908	2813573.178	2192545.348	1280705.1	1693571.207	1735425.746	706263.4536	1642718.219
PC(18:1_18:1)	125710660.7	93599384	128219467.1	64000157.12	78331235.33	67957189.32	83868242.8	75179414.51	77142827.71	31662274.48	110271891.5	54167900.01	20370962.91	62223352.75
PC(18:1_18:2)	3222399.476	2498139.517	3052858.265	2105126.129	1870808.53	1836458.34	3823197.329	5599766.619	2227010.954	2030470.081	4870353.855	3606867.233	1487970.075	4184593.112
PC(19:0_19:0)	74791523.35	10351409.61	37850240.27	43987413.23	15524361.94	86737117.12	24557252.31	45834056.03	32961870.63	29834394.77	44527890.88	49608509.08	34944905.27	45101521.87
PE(15:0_15:0)	15346106.91	13674367.32	14231623.53	10035789.72	17697973.4	19888079.12	16755456.61	4583917.002	6296648.176	17659999.92	14919453.59	12235881.65	4451780.785	9120623.524
PE(16:0_16:1)	137869.7339	170189.7035	338012.2952	91648.00117	134574.3329	222602.1611	394515.4437	262436.528	141874.2459	59192.42069	236661.7526	83353.14733	80534.90003	169352.1821
PE(16:0_20:4)	2146557.052	3058663.189	2535124.497	1075580.439	1829685.633	1306644.439	1460317.264	2621672.895	1499963.878	629317.1813	1349597.991	1801745.598	458046.2463	1638215.58
PE(16:1_19:0)	854867.6372	697230.1126	1017912.606	429147.2601	610238.4796	573470.9226	830750.9666	667053.8633	517202.6831	195910.6187	761739.0748	282172.5698	188408.9345	259355.6662
PE(17:0_17:0)	41599993.2	6597358.221	21045359.7	26502213.08	8959054.894	47396608.53	14278977.22	26604180.8	18799162.47	17811268.99	24369616.21	28332785.09	19641377.37	26420032.39
PE(17:0_17:1)	6280490.574	6118818.285	8711543.485	4045847.829	5871150.957	5421430.32	7353114.529	5841404.079	4534166.386	1550004.295	5937672.772	2808114.821	1634760.959	3302884.886
PE(17:0_20:4)	385791.2082	639979.1146	552822.7429	97781.27754	226112.9867	95466.9108	149762.6184	240941.597	171891.5359	90274.01489	232699.5346	263719.6169	42880.01254	198929.7777
PE(18:0_20:3)	7568416.702	8046299.294	9123314.987	3552920.879	5198169.133	4857576.436	3816596.864	4582380.577	4769697.422	1930127.734	5484924.153	4342221.942	1978253.448	3888898.687
PE(18:0_20:4)	12685441.12	24310835.83	19918917.55	6738235.208	13004621.67	4123737.645	7274339.558	13762651.74	8377489.359	4494503.433	9097024.085	14619989.77	2439559.107	9794811.218
PE(18:0_22:6)	5330278.396	5330737.667	4327485.232	4300462.59	5291163.862	4669494.013	3010935.87	5352468.191	2425897.68	1988445.959	3414825.027	3036371.981	2474038.851	2282534.051
PE(18:1_18:1)	482989.2403	577543.4174	753760.2087	253657.2262	352547.3794	313315.5439	407347.7456	404243.0486	329421.6847	125177.967	480739.0437	319342.6107	161092.805	262157.3647
PE(18:1_20:4)	2970888.025	4052833.432	3993284.186	1504302.165	2263933.849	1696706.411	1470927.218	3074409.184	1991064.838	1118749.058	2023897.171	2551573.772	945500.7375	1999308.352
PE(18:2_20:5)	20988.78025	41128.41591	86228.6512	10351.76333	23463.80184	8690.521367	3633.870195	67335.22433	3295.117441	0	3967.312783	0	0	0
PE(18:3_19:0)	348181.4234	419494.2761	427561.4344	111985.8307	201117.9878	173530.2205	219823.752	177413.4345	190085.6531	40261.89051	304921.4616	151790.2479	53872.16883	115438.9013
PE(20:1_20:4)	1040557.721	1085886.954	1301315.003	1168731.993	1094662.044	1753355.907	958271.9498	1380002.968	489109.8455	489203.8487	1116413.611	943072.6145	573753.826	601237.3039
PE(34:2)	684776.0103	657863.6034	1449120.144	441342.0545	699850.7933	702510.796	1310688.514	1336228.68	719095.4302	241846.1492	933393.3034	437870.1167	202002.791	561637.9977
PE(35:2)	239478.8456	263875.0637	489260.2725	254958.8135	159329.4338	176423.4327	381204.0633	274009.6632	335991.5253	80851.48322	242017.5251	141835.3795	93759.63292	191768.3403
PE(36:1)	14205663.38	10199321.51	16176253.88	10650534.1	12043572.6	13732991.35	13480700.9	10763274.25	8284205.555	4713338.08	12791555.36	6597708.226	4553667.497	5713530.087
PE(36:2)	8822011.72	7908536.189	12982425.06	5509021.399	8156857.75	7368098.935	9006863.915	10026124.07	7639045.19	3670794.733	10667746.11	5583020.037	3357022.948	5924000.59
PE(36:3)	745327.8028	768108.983	960290.2162	470631.6818	605652.6765	518075.8996	1561219.508	2210873.631	653287.8033	386423.6627	1975106.911	859295.8159	533133.3688	1041779.802
PE(38:1)	104413.0832	202933.2885	223019.086	201288.6368	129589.6145	258475.6622	135500.0591	129458.0163	145463.8264	45633.68564	183040.2473	70008.26469	18267.15086	104293.8339
PE(38:2)	815028.1672	754111.8209	900350.0963	401716.171	804399.355	715139.4534	310365.9951	228071.734	413063.1163	280964.1721	695906.339	474364.0493	205088.5471	453662.057
PE(38:3)	698431.1232	759188.7847	796902.5351	441573.2984	574400.9454	574723.1036	437845.616	579011.3253	320826.1241	184892.3418	499037.2244	442819.3236	160552.7955	412195.2332
PE(38:5)	658317.3144	687942.3027	719435.5918	566380.1843	586177.0337	769780.0163	569095.1391	797780.1488	321964.5783	176855.3775	923239.2314	496966.915	424944.8978	336398.032
PE(38:6)	551656.3295	482369.951	486031.748	277204.6076	560807.747	326041.3787	377617.931	871319.9274	242565.1811	125194.1192	343161.8927	236397.3874	172617.4171	177875.9145
PE(40:3)	936575.5466	862479.9875	859290.6368	511040.6649	715346.0916	896436.3862	518709.8836	514309.3704	441620.742	306131.356	599206.0691	445562.2135	208962.0855	429001.058
PE(40:4)	1440545.869	1512147.942	1453793.733	785702.3589	1113071.974	1010341.373	663254.4804	935268.3217	710711.3222	456771.4815	668239.3139	983624.5035	172849.2973	826273.7084
PE(40:5)	691057.376	784521.821	522247.5943	298650.4494	512757.5002	319092.4829	174633.5265	370942.1147	281818.3898	266200.5456	164317.0333	651026.6252	80817.1418	478599.1717
PE(40:6)	168599.6378	214099.7327	260822.2244	120031.4764	139716.4711	159957.5086	133915.5214	246960.5992	128918.098	47742.46459	186799.2265	80564.3463	48326.43797	85730.79078
PG(14:0_14:0)	10926252.49	8222616.135	8394486.855	7511634.931	11373300.06	12426041.4	11868844.25	3092703.038	7352588.555	13046607.69	10957912.08	9000388.838	2866060.593	7218312.965
PI(38:3)	4386167.378	3173017.277	3394050.035	2322791.248	2041802.995	784580.1537	1636833.091	2519100.961	2242891.32	713676.138	1565940.556	1113016.858	390875.2782	1355563.937
PI(38:4)	2174418.02	2421809.532	2507844.046	1816080.243	1728100.542	581186.4446	1061476.002	2766961.5	1221623.495	991863.7806	1012190.142	1883511.474	303326.6609	1791784.024
Plasmanyl-LPC(O-16:1)	2611161.452	2701066.865	3542324.521	2830367.872	2304613.075	2111290.967	2261887.779	3796664.361	4045600.883	291899.5495	1376044.882	2013738.579	452932.7264	2223789.532
Plasmanyl-PC(O-16:0/20:4)	13720463.37	17138314.21	12022473.83	12446259.32	7923112.666	10635669.3	5461329.11	11207237.82	9058217.478	2580361.555	8726843.925	10593598.5	4776978.789	11244124.18
Plasmanyl-PC(O-18:0/18:2)	4156494.586	3705088.309	3272710.128	1933144.05	2718485.963	2400645.917	1872569.568	1515296.988	2601614.821	515275.0018	2086013.947	1127596.326	338997.578	1275404.686
plasmanyl-TG(O-16:0_16:0_16:0)	1254766.645	1068432.436	2617446.558	1148499.405	813135.3911	1168635.737	4079429.857	2041727.31	1883116.361	319812.9655	2344397.121	1290552.766	459952.618	2531594.539
plasmanyl-TG(O-16:0_16:0_18:1)	5713203.38	6137558.066	8280743.767	4092663.059	3516245.139	3627635.33	10751495.45	3226633.604	6109996.344	900185.5406	9717512.788	2452949.877	1086208.391	5799994.795
plasmanyl-TG(O-16:0_18:1_20:1)	1567689.149	1679412.966	881150.7883	791153.0287	829724.5526	758467.3635	1183307.01	237862.5235	1151285.985	151731.1487	1134568.775	234790.0905	157850.3586	683667.0413
plasmanyl-TG(O-16:0_18:1_20:2)	1672813.57	2027892.059	945834.9191	841813.4135	648937.8498	655025.4615	1572445.453	260959.6991	504679.3728	51935.96161	1650560.842	270724.1946	90005.45653	876624.1725
plasmanyl-TG(O-16:1_16:0_16:0)	967322.374	1147666.002	2644501.032	1045986.053	818509.6251	1007875.617	6268310.911	2154889.904	1410773.249	241972.927	3443348.036	1101993.814	530696.7203	2771466.117
plasmanyl-TG(O-16:1_16:0_18:1)	1275073.032	1737088.401	2378135.884	1312516.034	1015902.627	1078161.066	3480948.251	961512.4651	1627834.478	330365.7159	2527661.657	527510.4527	445325.6522	1549849.193
plasmanyl-TG(O-16:1_18:1_18:1)	582628.105	672247.7842	281763.2793	248560.9257	230368.7472	315156.0679	1102927.945	479905.0329	547541.7793	40255.57557	969502.2235	202373.4111	70693.29837	730784.2613
plasmanyl-TG(O-18:0_16:0_16:0)	65091.52421	0	51800.85527	0	0	0	0	0	0	0	0	0	0	0
plasmanyl-TG(O-18:0_16:0_18:1)	3198817.368	3073147.268	2146944.463	1522728.743	1396366.24	1372076.071	2122569.923	1026987.918	2384467.315	376737.8798	3194460.707	900266.1128	388299.4909	1825074.862
plasmanyl-TG(O-18:0_18:0_18:1)	640972.2511	712502.8592	395463.8384	315300.518	383491.8703	379082.2218	455319.8453	237189.835	518972.685	19926.67677	325895.8835	147210.9672	38942.72076	275112.371
plasmanyl-TG(O-18:0_18:1_20:1)	403973.2844	469144.1721	196179.1756	94720.24846	276796.6704	202521.0703	234538.6639	25837.85039	229999.7688	7480.624337	176976.2432	36404.42276	0	209460.3311
plasmanyl-TG(O-18:1_16:0_18:1)	6486722.626	6737439.419	5189857.223	3774480.335	3076937.167	2440315.979	6037057.819	1489900.072	4811625.979	581445.8968	9216079.022	1321102.894	731955.7467	3827231.845
plasmanyl-TG(O-20:0_16:0_16:0)	346300.9927	235963.2889	185826.8979	188711.7833	152143.2707	157750.9054	102099.481	168395.6564	264759.411	16895.69403	237577.3554	84885.45472	33778.0864	177729.5629
Plasmenyl-PC(P-16:0/16:0)	5456231.66	4867550.304	8177393.857	4685344.409	3941098.34	3653962.518	2184799.602	2769924.828	3020578.941	956746.7742	2680863.902	2270361.38	757445.5849	2357364.074
Plasmenyl-PC(P-16:0/18:1)	74843672.2	59747991.67	72346267.3	34583198.04	38975896.33	36914218.55	34628828.53	31157607.87	47633664.22	9357245.277	40981625.7	18770092.62	9455088.868	21814410.99
Plasmenyl-PC(P-16:0/18:2)	7519172.203	6824872.389	7750171.426	4098878.777	3947133.785	4728731.934	6049356.47	5968088.596	6774045.788	2075389.177	4792476.373	4295251.109	1395360.232	4132868.358
Plasmenyl-PC(P-16:0/20:3)	5096594.033	5398188.745	5421850.802	3329280.133	3314784.522	3378998.522	2934847.535	3878092.366	3522986.157	3145627.371	2422887.295	2486399.881	1677913.173	1935344.924
Plasmenyl-PC(P-16:0/20:5)	1636074.364	1694321.384	1565645.839	2552632.358	1499545.217	1489174.6	1205534.335	3924141.144	1211569.589	312732.9175	1196782.952	1103489.461	808437.1706	795940.7007
Plasmenyl-PC(P-16:0/22:6)	4528593.833	4425210.091	3308437.263	4336215.747	3332937.612	2017378.902	1551260.204	6448887.873	2785619.595	941303.6054	1439372.469	2198542.498	1258264.865	1347926.608
Plasmenyl-PC(P-18:1/18:1)	12812357.64	10392378.81	11315766.59	5850463.353	6704324.637	5466704.342	5404757.333	5893114.584	7268660.247	2209668.093	7218691.146	4118640.645	1406209.603	4464215.996
Plasmenyl-PC(P-18:1/20:3)	7809719.473	6241391.396	5566521.783	2841807.229	4494183.748	2093047.69	1852698.63	4113465.018	3627111.186	1413420.797	1626197.452	4647372.044	575417.7617	3440636.374
Plasmenyl-PC(P-18:1/20:4)	9949638.862	10296059.43	9762749.037	8997577.517	6751997.141	5493363.801	4738629.815	12561676.87	7572196.927	3098368.652	4716166.357	6776135.938	2269791.259	4800199.049
Plasmenyl-PE(P-16:0/18:1)	18939947.37	17973576.43	28156042.42	11072244.06	13770821.5	12525813.44	10048859.26	9818153.885	11646422.6	3237518.05	10685110.12	5773983.65	3415954.689	6463632.104
Plasmenyl-PE(P-16:0/20:3)	10545867.92	11938464.99	14892579.15	5394069.959	7474457.328	5679876.402	4710306.556	7439029.028	7719156.652	2446623.686	5012370.215	4340650.808	2452201.638	4281877.375
Plasmenyl-PE(P-16:0/20:4)	24334914.74	31749820.01	38090217.68	19141019.89	23305003.64	14937760.18	9860694.189	24442123.14	20613431.03	8465724.32	8390639.312	16558018.48	5252170.757	14158560.83
Plasmenyl-PE(P-16:0/20:5)	896010.1037	1017951.843	1539555.806	1482708.249	1112753.699	1239853.583	881727.2929	1682865.191	771896.2852	293648.3542	929286.2806	549279.0194	632417.7704	444337.7401
Plasmenyl-PE(P-16:0/22:3)	3050922.311	3851623.528	3105370.414	1448157.787	2503158.265	2098330.153	1143648.052	1235257.967	1995205.222	665361.2844	983976.7674	1364969.37	201204.6403	1230514.629
Plasmenyl-PE(P-16:0/22:6)	4430764.132	5192325.639	6000786.92	4559769.88	4653093.021	2869358.403	1853494.783	6607417.753	3114004.309	1025452.146	2065219.522	2235014.869	1788461.79	1567204.161
Plasmenyl-PE(P-18:0/18:1)	5754553.136	5405604.98	5906739.284	3057637.331	4589241.71	4662348.142	3072176.714	2381990.649	3195292.284	996936.9437	2675106.913	1827077.648	701047.2021	1812860.171
Plasmenyl-PE(P-18:0/20:3)	3489936.858	3728786.772	3690912.595	1752609.231	2075761.974	1732953.197	1523424.929	2143493.777	2114598.283	875495.2718	1333375.939	1356099.41	683831.1582	1209274.128
Plasmenyl-PE(P-18:0/20:4)	13902141.43	15498832.16	15514661.11	10682879.51	11471417.53	9414885.477	8069279.567	12277011.27	10971445.43	7450601.192	6476122.937	9823321.882	4488492.12	8708561.285
Plasmenyl-PE(P-18:0/22:5)	858704.5362	1192896.272	1882387.035	868070.7135	894044.3543	992910.1814	583176.7303	1365741.934	761309.0169	0	434586.0156	566509.2673	0	241684.502
Plasmenyl-PE(P-18:1/18:1)	7887122.936	6776924.842	7995903.89	3562111.073	4896059.15	4177414.895	3691787.022	3286564.719	3751326.099	1242384.077	3881850.34	2001194.945	1034487.995	1813441.324
Plasmenyl-PE(P-18:1/20:3)	9789445.669	10757880.5	11002036.07	6066316.159	7648227.074	5100798.209	3893532.309	6726008.395	6442639.081	4410836.132	5406724.313	5279204.861	3642649.832	4593142.579
plasmenyl-TG(P-20:1_18:1_18:1)	827902.9398	1025015.903	294909.0572	254287.3988	248167.5796	196641.8182	719835.9851	79956.75416	590670.3657	8913.577154	274356.9331	83070.04737	0	335748.0374
PS(17:0_17:0)	10511235.64	1210187.893	5568782.492	7841571.129	1895927.755	11618741.34	3272778.965	8933161.006	4857223.008	4933500.167	6529188.863	8484274.679	4957977.869	9016596.568
SM(d18:1/16:0)	30188142.29	33870101.2	42289344.29	21112894.52	28228652.89	18671651.8	19122665.91	23633541.02	22561381.14	9256618.726	18974849.12	14272613.97	4814471.155	18017800.07
SM(d18:1/18:0)	41358014.88	36977697.06	48192636.64	25033558.86	27624045.1	20058925.34	21701686.82	30747379.33	35282870.02	7599355.15	17449949.48	13130834.43	4411966.97	15166798.83
SM(d18:1/20:0)	8465850.324	7576839.254	10563042.62	6356274.52	6973149.928	7069598.371	5251777.215	5817964.049	8582977.288	1682300.673	4686696.31	3093265.029	910121.3692	4288242.823
SM(d18:1/22:0)	11906354.23	10429281.7	14545472.36	9306248.83	10027639.19	8148137.407	8045801.197	10129496.42	10669512.52	2571037.243	5954882.819	5227520.861	1483897.38	6794259.125
SM(d18:1/24:0)	6742159.315	6145035.982	9351756.533	5550142.767	5932805.123	5007093.955	4770259.482	5862022.117	5109116.653	1489127.354	3909173.197	2922843.896	819091.1692	3479568.172
SM(d18:1/24:1)	24090141.3	23125782.44	26686752.63	17864283.67	20416049.35	14191647.32	16069744.1	18340775.55	15936854.54	6012982.321	12736351.05	10412294.91	3360043.173	11432822.11
TG(10:0_16:0_18:1)	2018130.833	2087243.34	1802144.97	1670375.478	1743812.872	1923624.538	30746584.58	55278521.8	1822495.52	1772437.157	3013314.682	2230950.69	7660783.154	2824073.452
TG(12:0_16:0_18:1)	6194248.234	6975278.817	7882931.89	5797773.304	6217134.593	6734516.992	144739664	168596216.7	5670512.941	6717960.133	18110247.79	10229254.19	25262999.23	12737860.81
TG(14:0_14:0_16:0)	3322106	3882060.1	3287704.804	3309505.175	3012272.06	3573336.23	53522264.76	121389702.1	3540727.828	4291495.124	9416173.37	6693821.436	13438269.96	7944702.344
TG(14:0_14:0_18:1)	1111370.142	1132835.075	1208491.351	1129018.619	1148165.451	1116900.123	3163883.068	3679109.843	1143146.937	1161055.031	1378328.723	1208023.883	1378057.589	1277951.331
TG(14:0_16:0_16:0)	9912040.646	10283614.94	8718994.104	9367534.526	7339054.742	10869275.32	122636750.9	248716349.2	9745597.598	8383968.254	52868619.24	15855262.29	31113690.51	20431940.84
TG(14:0_16:0_18:1)	17020722.14	20361529.08	24044687.6	15476767.35	16925544.05	19870594.56	317412616.5	475889475.6	18137196.58	12775713.51	59608730.6	27713266.79	76757939.94	37578386.21
TG(15:0_15:0_15:0)	198758227	148347773.3	155407587.8	142585770.4	202678845.6	225283120.6	214176665.2	69416455.3	150021948.4	224580597.4	199201220.4	158929106.7	52823628.84	139858975.1
TG(15:0_16:0_16:0)	8823928.381	8782474.821	8905930.738	8351367.486	8103037.577	8699213.369	20688624.83	37784270.31	8751275.935	8657125.257	57229790.72	9521436.382	11334399.71	9793101.023
TG(15:0_16:0_18:1)	8673282.025	9927053.915	8800691.314	7064875.336	7220255.947	8028252.603	36465807.33	64565035.43	8678435.699	6015262.529	12127730.17	8229766.651	13441346.94	8767227.548
TG(16:0_16:0_16:0)	18074065.75	15741779.33	17675908.86	16567362.08	13732513.19	21120594.93	146532882.4	332346860.8	17447218.85	12694193.04	134276150	22597129.68	46079294.71	27249205.57
TG(16:0_16:0_18:0)	17722890.4	11393161.89	10649149.94	10710608.71	7941132.284	18069117.79	31032346.62	404305821.5	11681590.28	7404370.056	24433456.14	11327953.75	48944872.59	16841333.25
TG(16:0_16:0_18:1)	55188708.86	60278347.06	55312488.2	32204753.04	35940028.86	56917010.95	390614083.6	981075198.2	54257572.31	17830500.68	112784032.9	42185545.81	178775684.5	62869927.13
TG(16:0_16:0_18:3)	177028.1862	158465.7942	161425.8098	143494.418	134076.2165	148895.6045	362285.6993	912470.2008	154350.5969	129447.0372	199236.4701	144470.0441	205728.8295	151380.6663
TG(16:0_16:1_16:1)	7711023.339	8632308.715	9403230.754	7557111.151	7594526.809	8347814.875	117105724.8	108325349.9	7988416.761	6802201.481	22092787.72	10998654.22	20880493.61	13833174.03
TG(16:0_16:1_18:1)	26296106.95	34811950.64	35304157.84	20379236.18	22683770.28	29188871.34	292653689.4	403209098.3	28492567.56	13557325.52	80966737.35	21609585.49	80913911.11	33832510.23
TG(16:0_17:0_18:1)	7651337.727	8667296.522	5712367.932	3501233.91	4193868.515	4615121.217	20103421.18	124457251.3	6374417.62	2763593.974	13597685	4888520.747	16417119.64	6954452.755
TG(16:0_17:1_18:1)	7286877.865	10241179.19	7648125.793	4779452.238	5493469.361	5417914.145	28581514.58	72833647.61	7079733.234	3090445.785	12666362.15	4214160.958	14172544.79	5604003.616
TG(16:0_18:0_18:0)	11671046.5	6312615.522	6378011.079	6975568.589	4349706.057	14694665.02	7264865.264	351520292.3	6097463.441	8177057.437	7869676.483	5915606.282	35807631.76	8534494.994
TG(16:0_18:0_18:1)	53251963.05	46568257.08	37686542.38	22821191.55	22726970.93	47468649.94	78302535.89	1254337162	34414652.78	8203479.407	64435288.46	18433994.02	196910661.7	38479837.16
TG(16:0_18:1_18:1)	101723933.6	119274125.3	98476315.93	51982016.96	62437860.75	83504434.92	373334962.4	1435145738	86571991.6	22999791.96	215614313.3	38001678.3	338365928	69524674.09
TG(16:0_18:1_18:2)	4777882.264	5284361.525	4673040.141	3577322.258	3922377.241	4153419.703	13483886.6	34197513.88	4071693.584	2604762.31	6442764.11	3339556.452	6118245.379	3920509.635
TG(16:0_18:1_20:1)	59407034.92	58049420.08	43421159.87	24241652.38	28168883.68	41902049.21	56091299.44	1056227337	37687200.43	7103189.431	82877086.25	11753222.68	198381502.8	26793896.2
TG(16:0_18:1_20:3)	10831951.34	12465583.41	9279325.184	7784761.057	8690862.43	8998773.796	20627636.98	57577729.41	8352640.536	4627372.056	12836573.03	6001074.375	10928620.48	7306750.616
TG(16:0_18:1_20:4)	3632116.318	4715192.229	3653146.29	3177251.519	3687005.966	3930965.228	12782477.56	19860984.97	3813085.279	2312264.378	3876409.682	2317152.129	4399631.111	3118594.374
TG(16:0_18:1_24:1)	1539079.849	2069009.771	1069968.641	909570.1674	1269274.342	1699373.889	2360099.021	4126937.034	1584741.772	699592.543	2121830.794	904079.4904	1165466.639	1325841.604
TG(16:0_18:3_20:1)	3262430.257	3465499.195	2886356.898	2692040.975	2816001.509	2963875.741	4653284.72	8591131.891	2393050.395	1720304.119	2582679.418	2042309.501	2304463.153	2290019.651
TG(16:0_20:1_22:2)	1566634.134	1897558.892	1177672.481	974472.939	1397387.755	1443259.526	2177393.714	3578968.274	1408845.265	304701.9873	2205877.044	240117.2439	533129.2511	733940.8354
TG(16:1_16:1_18:1)	2996834.098	3788612.452	4079297.194	4466616.657	4990702.005	5535868.436	53161915.19	41271677.35	5729662.909	3559417.966	14490635.34	5470595.667	13392440.38	7685050.68
TG(16:1_18:1_18:1)	24602838.94	31145634.11	26819282.47	17244298.32	19046616.2	23015685.77	123931827.4	240112097.4	24215095.1	10321956.47	52551716.25	14827335.69	52895983.88	23528339.76
TG(16:1_18:1_18:2)	4094739.539	4826615.165	4037441.399	3200849.955	1968372.316	3578109.24	13285394.83	29360214.58	3575395.121	2256585.658	5900731.67	2987723.034	5610406.895	3596928.64
TG(16:1_18:1_20:2)	554418.6917	544168.1869	587680.5632	583978.4022	557616.7047	581126.4206	578704.0587	451806.9117	603636.0703	589995.4757	527611.988	571148.6494	611247.1298	551770.7278
TG(17:0_17:0_17:0)	547457724.5	95270569.58	281120797.1	364073561	136064444.4	571143511.5	203550924.7	377422949.7	264371579.1	250507534.2	324721499.1	389642513.1	276565219.5	359275570.8
TG(17:0_17:0_19:0)	8064144.913	2163831.489	4310618.772	5320482.81	2615212.222	8572833.364	3736103.134	25358890.87	4255975.027	4085748.864	5607789.079	5791001.109	5497782.122	5552601.604
TG(17:0_18:0_18:1)	4764474.977	4337895.501	2676215.036	1959104.945	1931384.561	3094297.191	4722339.312	103786978.6	3137773.988	1327991.324	6182210.659	2122483.529	10497824.18	3240810.664
TG(17:0_18:1_18:1)	7415722.092	9226686.188	5030304.006	2824149.908	3754600.313	3910767.038	13633923.56	116311648.7	5454025.969	1329948.423	14782400.41	2134594.175	16385172.47	4224821.946
TG(17:0_18:1_20:2)	2497619.937	3082090.037	1523034.737	942857.8662	1116350.212	1194797.084	3400788.523	14429569.51	1684015.437	189672.8329	4773160.651	266944.7205	2384182.617	843221.9587
TG(17:1_18:1_18:1)	3689956.756	5243964.445	3097508.399	1665732.585	2299654.152	2020170.66	9211928.147	33478452.39	2775818.626	975743.613	7942743.675	948147.9838	6469450.663	2086641.828
TG(18:0_18:0_18:0)	3501416.651	2254208.938	2511555.573	2733254.496	2001231.638	5651830.607	2646486.75	113839848.2	2391463.092	8835246.713	2809420.192	2382007.677	11927450.15	3038312.307
TG(18:0_18:0_18:1)	17899223.9	11668408.42	10775093.72	6383651.014	4772463.368	20714890	8843006.408	749871872.6	8092874.679	1956863.511	11614288.32	3021281.372	90321144.41	9570048.021
TG(18:0_18:1_20:1)	5296663	5814849.056	3958029.225	3052786.378	4361758.503	5126432.92	5907265.481	33995188.15	5059246.907	1141816.722	5764601.833	1618474.865	5367647.451	2600132.973
TG(18:0_18:1_20:3)	8704311.229	7713556.038	4598933.789	4445611.038	4930740.761	5091555.656	5446298.563	22731598.75	3863089.38	286321.9455	4821783.438	801618.5044	2295927.408	2053424.643
TG(18:1_18:1_18:1)	71552487.85	79102764.34	55967647	30902748.88	45206053.92	39764696.7	120802260.1	499308125.7	55250697.27	18211863.77	172931472.9	25731165.23	156008788.7	41378391.65
TG(18:1_18:1_18:2)	914036.0674	910750.586	929625.7438	901614.2971	887398.8212	921671.5809	928113.9786	1029677.823	895712.9619	886380.3823	854064.7778	869931.1751	944396.153	872026.4321
TG(18:1_18:1_19:0)	2211033.978	2926663.059	1409020.578	627195.2013	1072336.336	1106134.949	2591038.788	24567750.71	1512431.013	459728.1065	3547196.031	519246.4086	3008199.644	955855.3957
TG(18:1_18:1_20:1)	9739619.776	10211897.37	6754867.715	4380346.215	7322629.733	6197929.086	9080055.715	27614477.74	7590968.35	952658.3957	9723407.299	1481858.355	5839892.291	2453383.755
TG(18:1_18:1_20:3)	6272649.884	6722094.072	3613398.384	3381585.049	3892498.083	4002842.895	7120369.137	20713726.26	3365596.808	343579.4376	5769463.739	1166798.646	2783316.008	2371230.513
TG(18:1_18:1_20:4)	1999616.233	2422554.583	1209783.341	1180483.859	1286799.616	1568548.278	5915316.972	8605340.663	1187226.135	202892.0241	3934721.329	592536.4568	1297053.062	1291476.231
TG(18:1_18:1_24:1)	617734.4273	1007640.064	448252.5714	268543.357	576672.3652	498027.6755	805354.6374	1209666.845	541073.5652	108273.6651	1226550.027	107673.627	219459.5659	378048.2954
AcCa(2:0)	0.014047312	0.026654709	0.016941161	0.021192677	0.009780916	0.025834307	0.025567236	0.10130873	0.027527038	0.029661069	0.065336994	0.069252917	0.352419225	0.036794386
AcCa(4:0-OH)	0.001967783	0.003387812	0.001356043	0.001772281	0.00172735	0.003713186	0.000827195	0.009272301	0.003081054	0.000489707	0.000869199	0.000994624	0.006987968	0.000741956
AcCa(12:0)	0.000194263	0.000547712	0.000348527	0.000262533	0.000136609	0.000269876	0.000785866	0.003726165	0.00035314	0.010261629	0.011102633	0.008767218	0.006230596	0.002658937
AcCa(16:0)	0.000282713	0.001536758	0.000742923	0.000246669	0.000282805	0.000234724	0.003740481	0.011938057	0.000215843	0.010156695	0.015968436	0.014208902	0.009295309	0.008142205
AcCa(16-OH)	0.000255037	0.000587159	0.000181678	8.41E-05	8.52E-05	3.56E-05	0.001766273	0.00868987	0.000145475	0.001197014	0.0022018	0.003603919	0.00300198	0.002599006
AcCa(18:0)	0.00070407	0.00157997	0.000248968	0.000296955	0.000278887	0.000219289	0.00112608	0.009833438	0.000364316	0.003537075	0.00629736	0.00573222	0.004030326	0.004389793
AcCa(18:1)	0.000270956	0.00398983	0.002990184	0.000385621	0.000586306	0.000348954	0.000182327	0.001523781	0.000179358	0.00841283	0.012383494	0.003396419	0.003546991	0.001616863
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	adduct
AcCa(10:0)	0.404170417	316.2482619	[M+H]+
AcCa(8:0)	0.349339167	288.2168063	[M+H]+
Cer(d18:1/17:0)	8.712668333	552.535028	[M+H]+
CL(34:2)(36:2)	14.8931625	1447.037618	[M+NH4]+
CL(34:2)(36:3)	14.55971574	1445.021828	[M+NH4]+
CL(36:2)(36:2)	15.2218125	1475.068602	[M+NH4]+
CL(36:2)(36:3)	14.9373125	1473.053691	[M+NH4]+
CL(36:3)(36:3)	14.611	1471.037925	[M+NH4]+
Co(Q10)	13.31285958	880.7171797	[M+NH4]+
Co(Q9)	11.8038381	812.6542245	[M+NH4]+
DG(14:0_14:0)	8.130314583	530.4780255	[M+NH4]+
DG(18:0_18:1)	10.49547458	640.5867326	[M+NH4]+
DG(18:1_18:1)	9.653571667	638.5717025	[M+NH4]+
DG(20:5_22:6)	7.196230556	704.5215803	[M+NH4]+
LPC(16:0)	1.315640417	496.3399419	[M+H]+
LPC(17:0)	1.761545833	510.3562936	[M+H]+
LPC(18:0)	2.393260417	524.3711038	[M+H]+
LPC(18:1)	1.310533772	522.356014	[M+H]+
LPC(19:0)	3.2414075	538.3863802	[M+H]+
LPE(18:0)	2.482066216	482.3242176	[M+H]+
LPE(18:1)	1.51069213	480.3086074	[M+H]+
LPE(20:4)	0.909295833	502.2939513	[M+H]+
OxLPC(15:0(COOH))	8.397856481	512.2988982	[M+H]+
OxLPC(17:2(Ke))	8.414668056	520.3035784	[M+H]+
OxLPC(17:2(OO))	8.413332407	538.3140612	[M+H]+
OxLPC(19:4(COOH))	7.821014352	560.298487	[M+H]+
OxLPC(19:5(CHO))	7.82462	542.2885589	[M+H]+
PC(15:0_18:1)	8.090487838	746.5686918	[M+H]+
PC(16:0_16:0)	8.366928947	734.5700579	[M+H]+
PC(16:0_16:1)	7.802637179	732.5535027	[M+H]+
PC(16:0_18:1)	8.405399583	760.5850467	[M+H]+
PC(16:0_18:2)	7.925981667	758.569519	[M+H]+
PC(16:0_20:3)	8.22222125	784.5838148	[M+H]+
PC(16:0_20:4)	7.79813964	782.5690622	[M+H]+
PC(16:0_22:5)	7.826731944	808.5844629	[M+H]+
PC(16:0_22:6)	7.629209259	806.5697004	[M+H]+
PC(17:0_17:0)	9.067759167	762.6005013	[M+H]+
PC(17:0_18:1)	8.750360833	774.5996577	[M+H]+
PC(18:0_18:1)	9.122238333	788.6153553	[M+H]+
PC(18:0_20:3)	8.944098333	812.6117443	[M+H]+
PC(18:0_20:4)	8.422563063	810.599974	[M+H]+
PC(18:0_22:5)	8.4173025	836.6174957	[M+H]+
PC(18:1_18:1)	8.43457125	786.6001243	[M+H]+
PC(18:1_18:2)	7.9764625	784.5839321	[M+H]+
PC(19:0_19:0)	10.74130375	818.6631707	[M+H]+
PE(15:0_15:0)	7.8575875	664.4903132	[M+H]+
PE(16:0_16:1)	7.91489625	690.5059305	[M+H]+
PE(16:0_20:4)	7.935416667	740.5230912	[M+H]+
PE(16:1_19:0)	8.91977875	732.5532811	[M+H]+
PE(17:0_17:0)	9.246135833	720.5542308	[M+H]+
PE(17:0_17:1)	8.5562075	718.5375943	[M+H]+
PE(17:0_20:4)	8.253447685	754.539021	[M+H]+
PE(18:0_20:3)	9.112019444	770.5692185	[M+H]+
PE(18:0_20:4)	8.567961261	768.5527731	[M+H]+
PE(18:0_22:6)	8.360682083	792.5530302	[M+H]+
PE(18:1_18:1)	8.830399123	744.5545373	[M+H]+
PE(18:1_20:4)	7.96586	766.5362791	[M+H]+
PE(18:2_20:5)	7.197689855	762.506053	[M+H]+
PE(18:3_19:0)	8.754625714	756.5530686	[M+H]+
PE(20:1_20:4)	8.580012083	794.5690956	[M+H]+
PE(34:2)	7.999238889	716.5227102	[M+H]+
PE(35:2)	8.297469167	730.5385231	[M+H]+
PE(36:1)	9.280488889	746.5691336	[M+H]+
PE(36:2)	8.588855417	744.5543328	[M+H]+
PE(36:3)	8.083481944	742.5388997	[M+H]+
PE(38:1)	10.04019815	774.6001105	[M+H]+
PE(38:2)	9.301339167	772.5837399	[M+H]+
PE(38:3)	8.925425926	770.5691424	[M+H]+
PE(38:5)	8.139448611	766.538247	[M+H]+
PE(38:6)	7.756930882	764.5233669	[M+H]+
PE(40:3)	9.6588	798.5999814	[M+H]+
PE(40:4)	9.070624537	796.583641	[M+H]+
PE(40:5)	8.844395833	794.5691949	[M+H]+
PE(40:6)	7.978730208	792.5519591	[M+H]+
PG(14:0_14:0)	6.715635833	684.4811103	[M+NH4]+
PI(38:3)	8.388918519	906.6063007	[M+NH4]+
PI(38:4)	7.930093981	904.5910409	[M+NH4]+
Plasmanyl-LPC(O-16:1)	1.565781481	480.345608	[M+H]+
Plasmanyl-PC(O-16:0/20:4)	8.549910833	768.5885053	[M+H]+
Plasmanyl-PC(O-18:0/18:2)	9.43287037	772.620742	[M+H]+
plasmanyl-TG(O-16:0_16:0_16:0)	15.75500292	810.7902865	[M+NH4]
plasmanyl-TG(O-16:0_16:0_18:1)	15.74276625	836.8061121	[M+NH4]
plasmanyl-TG(O-16:0_18:1_20:1)	16.07621625	890.8530009	[M+NH4]
plasmanyl-TG(O-16:0_18:1_20:2)	15.74588796	888.836923	[M+NH4]
plasmanyl-TG(O-16:1_16:0_16:0)	15.3780875	808.7751258	[M+NH4]
plasmanyl-TG(O-16:1_16:0_18:1)	15.38527333	834.7906453	[M+NH4]
plasmanyl-TG(O-16:1_18:1_18:1)	15.40018904	860.8063067	[M+NH4]
plasmanyl-TG(O-18:0_16:0_16:0)	16.08445139	838.8208696	[M+NH4]
plasmanyl-TG(O-18:0_16:0_18:1)	16.07817292	864.8377239	[M+NH4]
plasmanyl-TG(O-18:0_18:0_18:1)	16.37926316	892.8690465	[M+NH4]
plasmanyl-TG(O-18:0_18:1_20:1)	16.37356286	918.8850524	[M+NH4]
plasmanyl-TG(O-18:1_16:0_18:1)	15.7335275	862.8220187	[M+NH4]
plasmanyl-TG(O-20:0_16:0_16:0)	16.3955188	866.8532239	[M+NH4]
Plasmenyl-PC(P-16:0/16:0)	8.684303509	718.5745917	[M+H]+
Plasmenyl-PC(P-16:0/18:1)	8.70977037	744.5899653	[M+H]+
Plasmenyl-PC(P-16:0/18:2)	8.174275	742.5744658	[M+H]+
Plasmenyl-PC(P-16:0/20:3)	8.33914875	768.5885088	[M+H]+
Plasmenyl-PC(P-16:0/20:5)	7.625810101	764.5590278	[M+H]+
Plasmenyl-PC(P-16:0/22:6)	7.858001389	790.57408	[M+H]+
Plasmenyl-PC(P-18:1/18:1)	8.741589352	770.6055181	[M+H]+
Plasmenyl-PC(P-18:1/20:3)	8.549297222	794.6056694	[M+H]+
Plasmenyl-PC(P-18:1/20:4)	8.075968056	792.5900347	[M+H]+
Plasmenyl-PE(P-16:0/18:1)	8.900286574	702.5429728	[M+H]+
Plasmenyl-PE(P-16:0/20:3)	8.726461111	726.5436309	[M+H]+
Plasmenyl-PE(P-16:0/20:4)	8.222941667	724.5288378	[M+H]+
Plasmenyl-PE(P-16:0/20:5)	7.7755175	722.5102796	[M+H]+
Plasmenyl-PE(P-16:0/22:3)	9.258377315	754.5746598	[M+H]+
Plasmenyl-PE(P-16:0/22:6)	8.013619444	748.5271263	[M+H]+
Plasmenyl-PE(P-18:0/18:1)	9.654007917	730.5737525	[M+H]+
Plasmenyl-PE(P-18:0/20:3)	9.4636	754.5746377	[M+H]+
Plasmenyl-PE(P-18:0/20:4)	8.888366667	752.5634022	[M+H]+
Plasmenyl-PE(P-18:0/22:5)	8.896154762	778.5753298	[M+H]+
Plasmenyl-PE(P-18:1/18:1)	8.936510185	728.5592327	[M+H]+
Plasmenyl-PE(P-18:1/20:3)	8.72751125	752.5613848	[M+H]+
plasmenyl-TG(P-20:1_18:1_18:1)	15.84425762	914.8527494	[M+NH4]+
PS(17:0_17:0)	8.54166375	764.5438892	[M+H]+
SM(d18:1/16:0)	7.6903725	703.5744092	[M+H]+
SM(d18:1/18:0)	8.374719907	731.6059863	[M+H]+
SM(d18:1/20:0)	9.104190741	759.6377668	[M+H]+
SM(d18:1/22:0)	9.895576389	787.6684245	[M+H]+
SM(d18:1/24:0)	10.8542537	815.6994906	[M+H]+
SM(d18:1/24:1)	9.826246759	813.6842099	[M+H]+
TG(10:0_16:0_18:1)	13.67512542	766.6927194	[M+NH4]+
TG(12:0_16:0_18:1)	14.31237875	794.7229281	[M+NH4]+
TG(14:0_14:0_16:0)	14.27653625	768.7074495	[M+NH4]+
TG(14:0_14:0_18:1)	14.52941125	794.7229714	[M+NH4]+
TG(14:0_16:0_16:0)	14.80152667	796.7386354	[M+NH4]+
TG(14:0_16:0_18:1)	14.81685625	822.7542284	[M+NH4]+
TG(15:0_15:0_15:0)	14.5468125	782.7228711	[M+NH4]+
TG(15:0_16:0_16:0)	15.01153417	810.7538391	[M+NH4]+
TG(15:0_16:0_18:1)	15.031625	836.769319	[M+NH4]+
TG(16:0_16:0_16:0)	15.25096375	824.7692001	[M+NH4]+
TG(16:0_16:0_18:0)	15.6353025	852.8009457	[M+NH4]+
TG(16:0_16:0_18:1)	15.24456875	850.785207	[M+NH4]+
TG(16:0_16:0_18:3)	14.73527625	846.7538904	[M+NH4]+
TG(16:0_16:1_16:1)	14.36319833	820.7387779	[M+NH4]+
TG(16:0_16:1_18:1)	14.82641625	848.7697855	[M+NH4]+
TG(16:0_17:0_18:1)	15.423675	864.8010333	[M+NH4]+
TG(16:0_17:1_18:1)	15.04131875	862.7852363	[M+NH4]+
TG(16:0_18:0_18:0)	15.98087458	880.8317761	[M+NH4]+
TG(16:0_18:0_18:1)	15.6265275	878.8158677	[M+NH4]+
TG(16:0_18:1_18:1)	15.24363625	876.8011724	[M+NH4]+
TG(16:0_18:1_18:2)	15.02976833	874.784991	[M+NH4]+
TG(16:0_18:1_20:1)	15.61978875	904.8318232	[M+NH4]+
TG(16:0_18:1_20:3)	15.01318625	900.8014244	[M+NH4]+
TG(16:0_18:1_20:4)	14.6976225	898.7859751	[M+NH4]+
TG(16:0_18:1_24:1)	16.259195	960.8945822	[M+NH4]+
TG(16:0_18:3_20:1)	15.16115125	900.8015826	[M+NH4]+
TG(16:0_20:1_22:2)	15.95836333	958.8796157	[M+NH4]+
TG(16:1_16:1_18:1)	14.40918875	846.7540416	[M+NH4]+
TG(16:1_18:1_18:1)	14.84144583	874.7847606	[M+NH4]+
TG(16:1_18:1_18:2)	14.56429833	872.7698187	[M+NH4]+
TG(16:1_18:1_20:2)	15.533695	900.8013887	[M+NH4]+
TG(17:0_17:0_17:0)	15.8106575	866.8166439	[M+NH4]+
TG(17:0_17:0_19:0)	16.12099458	894.8475862	[M+NH4]+
TG(17:0_18:0_18:1)	15.79099375	892.832531	[M+NH4]+
TG(17:0_18:1_18:1)	15.42674833	890.8170502	[M+NH4]+
TG(17:0_18:1_20:2)	15.4296075	916.8316304	[M+NH4]+
TG(17:1_18:1_18:1)	15.04651583	888.8012625	[M+NH4]+
TG(18:0_18:0_18:0)	16.2840525	908.8639169	[M+NH4]+
TG(18:0_18:0_18:1)	15.97075625	906.849432	[M+NH4]+
TG(18:0_18:1_20:1)	15.9592875	932.8636875	[M+NH4]+
TG(18:0_18:1_20:3)	15.46128292	928.831887	[M+NH4]+
TG(18:1_18:1_18:1)	15.23993833	902.8167247	[M+NH4]+
TG(18:1_18:1_18:2)	15.40273375	900.8015323	[M+NH4]+
TG(18:1_18:1_19:0)	15.7820575	918.8481795	[M+NH4]+
TG(18:1_18:1_20:1)	15.6198	930.8474872	[M+NH4]+
TG(18:1_18:1_20:3)	15.10509103	926.8165746	[M+NH4]+
TG(18:1_18:1_20:4)	14.71326944	924.8011364	[M+NH4]+
TG(18:1_18:1_24:1)	16.23654583	986.9101194	[M+NH4]+
AcCa(2:0)	0.313123333	204.1233109	[M+H]+
AcCa(4:0-OH)	0.3132975	248.1498977	[M+H]+
AcCa(12:0)	0.511854583	344.2795506	[M+H]+
AcCa(16:0)	1.32149625	400.3422771	[M+H]+
AcCa(16-OH)	0.834484167	416.3371603	[M+H]+
AcCa(18:0)	2.40149875	428.3735204	[M+H]+
AcCa(18:1)	1.477847083	426.357852	[M+H]+
METABOLITES_END
#END