#METABOLOMICS WORKBENCH jwalejko_20181130_110228 DATATRACK_ID:1578 STUDY_ID:ST001106 ANALYSIS_ID:AN001799 PROJECT_ID:PR000740
VERSION             	1
CREATED_ON             	December 4, 2018, 7:55 pm
#PROJECT
PR:PROJECT_TITLE                 	Chronic Maternal Cortisol Excess During Late Gestation Leads to Metabolic
PR:PROJECT_TITLE                 	Alterations in the Newborn Heart
PR:PROJECT_SUMMARY               	Our laboratory has previously shown in an ovine model of pregnancy that abnormal
PR:PROJECT_SUMMARY               	elevations in maternal cortisol during late gestation lead to increased fetal
PR:PROJECT_SUMMARY               	cardiac arrhythmias and mortality during peripartum. Furthermore, transcriptomic
PR:PROJECT_SUMMARY               	analysis of the fetal heart suggested alterations in TCA cycle intermediates and
PR:PROJECT_SUMMARY               	lipid metabolites in animals exposed to excess cortisol in utero. Therefore, we
PR:PROJECT_SUMMARY               	utilized a sheep model of pregnancy to determine how chronic increases in
PR:PROJECT_SUMMARY               	maternal cortisol alter maternal and fetal serum prior to birth and neonatal
PR:PROJECT_SUMMARY               	cardiac metabolites and lipids at term. Ewes were either infused with 1
PR:PROJECT_SUMMARY               	mg/kg/day of cortisol starting at gestational day 115 (n=9), or untreated (n=6).
PR:PROJECT_SUMMARY               	Serum was collected from the mother and fetus (125 d-birth), and hearts were
PR:PROJECT_SUMMARY               	collected following birth. Proton nuclear magnetic resonance (1H-NMR)
PR:PROJECT_SUMMARY               	spectroscopy was conducted to measure metabolic profiles of newborn heart
PR:PROJECT_SUMMARY               	specimens as well as fetal and maternal serum specimens. Mass spectrometry was
PR:PROJECT_SUMMARY               	conducted to measure lipid profiles of newborn heart specimens. We observed
PR:PROJECT_SUMMARY               	alterations in amino acid and TCA cycle metabolism as well as lipid and
PR:PROJECT_SUMMARY               	glycerophospholipid metabolism in newborn hearts after excess maternal cortisol
PR:PROJECT_SUMMARY               	in late gestation. In addition, we observed alterations in amino acid and TCA
PR:PROJECT_SUMMARY               	cycle metabolites in fetal but not in maternal serum during late gestation.
PR:PROJECT_SUMMARY               	These results suggest that fetal exposure to excess maternal cortisol alters
PR:PROJECT_SUMMARY               	placental and fetal metabolism prior to birth and limits normal cardiac
PR:PROJECT_SUMMARY               	metabolic maturation, which may contribute to increased risk of peripartum
PR:PROJECT_SUMMARY               	cardiac arrhythmias observed in these animals, or later life cardiomyopathies.
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 Newborn Heart Tissue Exposed to Excess Maternal Cortisol in Late
ST:STUDY_TITLE                   	Gestation (part-1)
ST:STUDY_SUMMARY                 	Cardiac tissue from newborn hearts from animals exposed to excess maternal
ST:STUDY_SUMMARY                 	cortisol in late gestation and untreated was compared via MS lipidomic analysis
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Biochemsitry & 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                	12
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Ovis aries
SU:TAXONOMY_ID                   	9940
SU:AGE_OR_AGE_RANGE              	within 6 hours of birth
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	802	802	Treatment:Cortisol	Batch=2
SUBJECT_SAMPLE_FACTORS           	734	734	Treatment:Control	Batch=1
SUBJECT_SAMPLE_FACTORS           	770	770	Treatment:Control	Batch=1
SUBJECT_SAMPLE_FACTORS           	729	729	Treatment:Cortisol	Batch=1
SUBJECT_SAMPLE_FACTORS           	706	706	Treatment:Cortisol	Batch=1
SUBJECT_SAMPLE_FACTORS           	767	767	Treatment:Control	Batch=2
SUBJECT_SAMPLE_FACTORS           	717	717	Treatment:Cortisol	Batch=1
SUBJECT_SAMPLE_FACTORS           	753	753	Treatment:Control	Batch=2
SUBJECT_SAMPLE_FACTORS           	1610-16	1610-16	Treatment:Control	Batch=3
SUBJECT_SAMPLE_FACTORS           	3843	3843	Treatment:Cortisol	Batch=1
SUBJECT_SAMPLE_FACTORS           	1577	1577	Treatment:Control	Batch=3
SUBJECT_SAMPLE_FACTORS           	1576	1576	Treatment:Cortisol	Batch=3
#COLLECTION
CO:COLLECTION_SUMMARY            	Immediately following birth, the lambs were euthanized with an overdose of
CO:COLLECTION_SUMMARY            	Euthasol (pentobarbital sodium and phenytoin sodium; Virbac AH Inc), and heart
CO:COLLECTION_SUMMARY            	tissue was collected from the right ventricle (RV), left ventricle (LV), and
CO:COLLECTION_SUMMARY            	intraventricular septum (IVS) and immediately frozen in liquid nitrogen. Tissue
CO:COLLECTION_SUMMARY            	samples were stored at -80 °C until data 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             	The treatment protocol for this study was previous published in Antolic, A., et
TR:TREATMENT_SUMMARY             	al. (2018). "Chronic maternal hypercortisolemia in late gestation alters fetal
TR:TREATMENT_SUMMARY             	cardiac function at birth." Am J Physiol Regul Integr Comp Physiol 314(3):
TR:TREATMENT_SUMMARY             	R342-R352.
TR:TREATMENT_COMPOUND            	Hydrocortisone sodium succinate in sodium phosphate (Solu-Cortef; Pfizer, New
TR:TREATMENT_COMPOUND            	York, NY, USA)
TR:TREATMENT_DOSE                	1 mg/kg/day
#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). Organ:
SP:SAMPLEPREP_SUMMARY            	Heart, Organ Specification: Right Ventricle
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 mL 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:ION_SPRAY_VOLTAGE             	1500
MS:IONIZATION                    	Heated electrospray
MS:RESOLUTION_SETTING            	70,000
MS:SCANNING_RANGE                	200-2200 m/z
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Relative peak area
MS_METABOLITE_DATA_START
Samples	802.00	734.00	770.00	729.00	706.00	767.00	717.00	753.00	1610-16	3843.00	1577.00	1576.00
Factors	Treatment:Control
AcCa(10:0)	5466794.01	1025092.78	5054025.66	5575792.91	1092675.41	2605455.09	857293.94	3682127.06	3962723.90	1561224.11	976866.76	2310416.42
AcCa(8:0)	3523532.60	677284.61	3321833.45	3451673.90	559360.60	1339936.66	789458.59	1383631.13	3106196.12	564656.28	651470.52	1605366.18
CL(34:2)(36:2)	1198775.27	1528058.39	1476466.26	6831444.77	3112564.23	2412627.17	963700.79	3382023.84	1731935.71	1382601.46	3012699.25	1883589.48
CL(34:2)(36:3)	1105238.01	1071039.47	1337534.13	4442117.19	2028280.04	1151353.80	659171.01	2107321.70	1367172.16	1410814.01	2803966.54	1953226.25
CL(36:2)(36:3)	3007468.77	2955630.42	3123802.71	12424655.98	4828420.09	3170082.99	1737879.41	3872213.44	3041446.88	5393419.25	4714338.02	4084454.68
CL(36:2)(36:2)	1597080.97	2360467.68	1877648.87	10265604.38	4999597.89	3508990.34	1620582.76	3750114.73	2221219.17	2959589.52	3202435.69	2317966.23
CL(36:3)(36:3)	1766933.17	1376249.86	1680334.94	5004682.15	2049694.32	1115694.56	577751.05	1498207.01	1397375.18	3276243.48	2571306.62	2450739.04
LPC(17:0)	60438353.46	58242711.24	27952180.26	70008016.28	60848183.98	85379421.41	43131473.18	55608063.73	58980981.56	48012255.01	59549616.26	65905375.64
LPC(18:1)	3576360.86	2538930.48	1467030.21	10776154.68	7118620.24	9209648.81	3519281.45	3221288.69	2208705.17	4794156.44	9909794.58	3318430.29
LPC(19:0)	122517351.67	117931501.26	88681373.39	132392325.56	124746754.34	114482591.75	106766926.91	53468042.19	18908092.85	63546227.27	108893246.81	105931832.15
PC(15:0_18:1)	4199527.05	2217273.17	1408368.98	10128342.75	7582150.14	8498968.13	1264997.31	3482965.58	4055419.87	1755559.97	3855684.75	3584310.54
PC(16:0_20:4)	38256534.49	22623056.53	13408990.08	80930033.25	57306814.80	66297555.35	14117130.04	28013019.93	26893918.65	31926362.88	20361186.50	22335368.63
PC(16:0_18:2)	27755570.46	11619857.65	7827016.90	46236951.23	29308277.28	42876629.84	6607851.78	17389161.45	15198088.81	13189373.03	13765975.45	18019764.54
PC(16:0_16:0)	15807471.47	10287077.76	6872030.24	52125728.21	34762548.74	33282183.73	9353200.67	15309405.78	13231356.53	7725339.25	12288068.02	9989517.57
PC(16:0_22:5)	12729873.40	7786412.81	4712504.34	32245390.82	18150643.52	24898048.07	3575201.36	8424481.98	9137767.07	8964765.34	5606392.84	8080429.88
PC(16:0_22:6)	2826015.86	1321442.20	737837.74	3133894.86	4927172.66	7482446.54	360121.65	1560814.93	3460086.13	1723098.16	1457238.90	3056142.20
PC(16:0_20:3)	1594545.23	1289578.44	648534.63	2975513.87	2955995.27	4157480.12	664687.99	1728476.52	1136881.25	930353.26	1663695.02	1013951.05
PC(17:0_17:0)	41618615.85	36106738.56	18354792.09	52549194.65	41522258.57	60096092.65	28235303.32	39049781.31	39835050.96	33022283.70	38704136.62	42383724.00
PC(17:0_18:1)	6088969.84	3341920.56	1960279.66	13850119.37	9371708.25	10548903.10	1867337.38	3856418.60	5277765.59	2843707.60	5510883.12	4670367.80
PC(18:0_20:4)	17650161.25	11040462.47	6556854.16	51559236.81	34993398.83	39841400.74	6688984.19	14540187.28	11381466.91	15021038.19	6930503.90	6704940.96
PC(18:0_20:3)	6268582.42	4919680.31	2966306.03	14498789.18	11531659.83	17483971.32	3550049.99	8017739.50	5001454.78	5391981.12	4740050.74	3234054.49
PC(18:0_22:5)	2461129.71	1594582.73	827183.93	4941315.84	3605586.64	7870080.83	769434.56	2007642.44	2139673.62	1359232.37	1078271.64	1259823.95
PC(18:1_18:1)	62856101.39	37022107.14	27129336.99	200961529.30	108235986.13	154165162.28	23351437.54	54145743.91	48964282.35	46953588.52	70098995.16	48197907.98
PC(18:1_18:2)	3110362.55	1275581.60	774634.02	4290356.17	2599216.89	4132178.55	741136.93	1475010.53	1463068.09	2083228.93	1349911.05	1766502.35
PC(19:0_19:0)	56943423.65	56208789.53	33878036.60	61760512.65	55939163.47	46261672.77	51329708.59	24839769.97	8573871.84	30509792.41	50404163.39	44168746.40
PE(18:1_18:1)	254155.27	118078.42	106328.39	816756.62	424574.58	536850.46	44370.89	256863.49	216955.74	139400.18	243315.44	169460.68
Plasmanyl-PC(O-16:0/20:4)	5887185.78	9465772.68	6056126.98	20670131.94	10571057.58	24478215.05	3060586.54	10787732.73	7851426.18	7012497.07	5451287.56	9484707.31
Plasmanyl-LPC(O-16:1)	2467906.89	1662143.29	692016.72	3794457.13	4421202.66	4909426.49	2229435.21	1041428.10	1960142.01	1554726.80	2277228.39	1966093.77
Plasmanyl-PC(O-18:0/18:2)	1202658.60	1180073.30	824755.27	4266922.56	2799361.08	3378378.10	537059.33	1517026.62	1057151.62	1192045.55	1922468.36	1212491.70
Plasmenyl-PE(P-18:0/20:4)	11188603.83	8269836.30	7378581.87	25101279.02	17913811.70	19748222.11	3413849.69	11250239.99	10712492.86	10734626.40	7534255.67	9148811.36
Plasmenyl-PC(P-18:1/18:1)	4582348.03	3536886.18	2872827.72	15699059.11	8294489.17	14135088.45	2075321.08	5808185.16	4300975.62	4377755.18	6022571.61	4703763.37
Plasmenyl-PE(P-18:1/20:3)	5625917.01	4210170.29	4524835.77	14911427.22	10840769.85	11771410.73	3401375.69	7172593.54	3844633.42	4480053.89	3852800.88	3700599.02
Plasmenyl-PC(P-16:0/18:2)	4183638.76	2549602.12	1265106.89	7942574.12	4535838.47	8687842.46	952695.10	3712797.53	2526375.81	3092570.16	2929182.57	4801982.48
Plasmenyl-PC(P-18:1/20:3)	4285261.81	3294993.35	3718572.13	11247273.81	6644680.39	11607475.28	2389569.45	5849783.06	2208732.32	4035784.35	4098871.37	2458281.66
Plasmenyl-PC(P-16:0/20:3)	3367549.37	2684930.98	2233018.23	5440155.96	4545717.45	9778506.89	1748515.90	4347237.03	2544839.01	2521773.91	2440432.16	2775326.17
Plasmenyl-PE(P-16:0/22:6)	1924423.51	816049.55	532837.18	2776426.52	3105694.37	5552839.58	147708.45	1453877.31	3729614.54	1004788.82	779876.62	2596165.70
Plasmenyl-PC(P-16:0/16:0)	2830797.57	1871488.77	1488793.16	10796622.85	3659015.33	6587870.30	1299887.79	3820644.24	3385694.04	1553883.15	2601474.21	2631461.76
Plasmenyl-PC(P-16:0/22:6)	2337620.16	1175866.54	774926.28	2745522.84	2903689.87	6037967.90	304685.17	1408458.17	3696808.26	1647118.08	1257844.96	3214017.21
Plasmenyl-PE(P-18:0/18:1)	2231660.26	1468400.94	1012137.43	6183685.11	4792465.85	5648312.38	391635.24	2165518.04	1956049.12	1467228.33	1702864.27	1738952.28
Plasmenyl-PE(P-18:0/20:3)	1310519.57	937230.60	891655.43	4390470.19	3447708.06	5049890.06	347750.01	2070380.34	1579502.05	1389154.67	999085.77	1132604.88
Plasmenyl-PC(P-16:0/20:5)	785691.73	408895.52	44195.04	1344695.64	755591.41	4582923.64	0.00	525149.42	2240436.87	843163.28	191237.72	1367070.37
Plasmenyl-PE(P-16:0/22:3)	1357683.89	1124348.78	892177.93	2781713.71	3038696.81	1806431.48	353594.16	1128668.11	508195.64	1102226.37	931740.66	557638.62
Plasmenyl-PE(P-18:0/22:5)	371418.21	0.00	0.00	1333074.21	718213.71	2437217.38	0.00	347207.95	693699.59	60354.41	0.00	427003.85
Plasmenyl-PE(P-16:0/20:5)	379389.96	223483.71	130753.75	645215.49	406006.17	2177352.90	93697.02	386684.04	1061343.38	326836.98	187029.63	655643.97
PS(17:0_17:0)	7121745.06	8253672.89	6841637.71	9106969.50	7902454.56	4419778.37	11001891.21	3727275.36	817702.66	4253976.58	8272873.93	6147784.44
SM(d18:1/18:0)	17375915.56	12288139.92	7416039.24	53774340.35	31547377.20	37682474.29	8558932.91	14299298.18	19907878.74	14681736.98	17779713.07	13374382.79
SM(d18:1/16:0)	15605101.58	12223785.50	7635474.81	45686138.77	37469943.26	40129125.83	8749128.03	14284841.15	19096831.29	12495045.20	13555611.67	11388038.29
SM(d18:1/24:1)	11461880.24	8264935.95	5439530.43	27508160.51	23001294.60	30471797.96	6004646.04	10888920.76	12274805.00	7762761.80	11727274.43	8245631.38
SM(d18:1/22:0)	6589841.33	3915698.03	2850767.85	19033436.61	8182967.14	16365329.81	2897909.50	6302484.88	7159989.81	3947769.01	6369706.12	4754751.23
SM(d18:1/24:0)	3592365.64	2370105.62	1908879.61	11323142.23	7098808.51	8432163.19	1637296.08	3659843.60	4248501.85	2318132.54	2964206.42	2367586.98
TG(15:0_16:0_18:1)	12893247.86	6924696.24	6751150.58	38034977.96	54487415.82	12463879.82	12577673.31	5168895.39	5789683.98	7262688.32	11632754.70	8396309.23
TG(15:0_16:0_16:0)	10911896.42	9183068.78	8160946.77	15148224.20	16133082.35	10026226.38	9401290.64	7989379.98	7891638.85	8419974.84	9028468.34	8358848.22
TG(16:0_18:1_20:3)	9446603.15	8924120.01	7144790.50	102271620.53	148678704.64	32901149.12	31514183.59	5813552.77	8305218.56	16841509.82	32451598.14	10887114.46
TG(16:0_18:0_18:0)	8905622.83	15750036.98	5270651.22	450330422.51	497999192.97	220320801.53	55872780.07	5654164.51	5204351.65	8341494.39	12362977.56	8867801.07
TG(16:0_17:1_18:1)	8150691.30	4976138.16	4385846.48	75564755.63	148256932.44	16912886.24	15585013.98	3428657.63	4525968.33	7462130.05	21853635.70	10137833.77
TG(16:0_17:0_18:1)	9416673.67	5287460.54	3287639.64	93233045.64	132053282.23	25468144.22	20357253.88	3107637.82	3975894.41	5789617.17	16152946.60	8906426.05
TG(16:0_18:1_18:2)	4754053.38	4290327.03	3853302.06	52506095.50	66553726.30	14905929.09	13505270.42	3151784.96	3650025.08	6912639.73	15284588.25	5408096.02
TG(16:0_18:1_20:4)	4136509.66	3177137.66	2984614.98	28567675.85	48301358.95	9238988.55	12987591.28	2541949.46	3759312.58	6197020.82	10395857.15	3930358.91
TG(16:0_16:1_18:1)	36625610.61	19843212.67	20551971.28	470663478.37	1020461349.22	109719372.69	71912423.42	14584135.77	18205573.89	44483242.57	126265882.24	44852178.74
TG(16:0_16:0_18:3)	172387.80	157275.05	159262.93	1387348.35	1434254.55	389065.51	328100.93	138532.29	149506.32	252689.40	358811.18	163066.21
TG(16:1_18:1_18:2)	4153098.50	3690037.90	3084377.85	43960563.76	58738836.47	11617683.62	11469650.77	2539300.77	3197780.49	5787662.90	12877101.71	4306019.98
TG(17:0_18:1_18:1)	5916133.27	4472706.33	2490043.54	116215518.74	210158821.99	27461877.78	23323970.17	1804721.40	4072728.12	8153797.13	24194893.69	9858717.54
TG(17:0_17:0_19:0)	5988597.81	6473202.73	4279954.08	18369743.83	17892603.07	10569657.90	8746935.58	3267763.66	1915636.91	3690894.75	5886927.64	5595546.57
TG(17:0_18:0_18:1)	4071743.30	3879414.05	1655215.39	76629759.17	95801639.12	24784349.92	18136885.81	1654386.65	2157909.79	3257513.38	7746881.13	4724222.35
TG(17:0_18:1_20:2)	1296103.17	1288018.14	601865.30	20531835.58	31485988.68	5612760.13	5511771.85	262717.80	1153385.97	2991833.13	6996848.01	2855601.57
TG(17:1_18:1_18:1)	3406145.26	2299065.27	1929485.96	42891748.77	74733720.32	9355907.45	10080879.02	1218446.15	2451526.26	5511858.08	17809746.79	5297267.30
TG(18:0_18:1_20:3)	2902339.10	3685860.81	1995067.22	48107116.69	69964278.06	22068254.11	20733395.99	1550959.29	3421345.90	7763054.24	11376550.99	5541546.74
TG(18:1_18:1_20:3)	3832479.87	4525432.19	2117722.61	53893203.33	73224386.80	20866002.79	23471251.25	1417914.70	4210560.77	12075667.84	17896702.25	5258306.70
TG(18:1_18:1_19:0)	1436870.29	1337321.65	713887.87	23089449.08	37982323.33	6970102.17	5368029.82	370599.90	1072854.42	2022474.22	4430344.76	2637940.13
TG(18:1_18:1_20:4)	1786524.23	1484634.75	487564.59	21277123.50	32488793.78	8316103.80	9352786.93	313583.64	1705067.00	5017484.08	8238657.95	2188178.94
Cer(d18:1/17:0)	42234071.26	45729421.70	20693856.45	49841859.28	42914972.73	59001730.96	36625808.48	44108714.60	46414730.88	39726995.57	43877911.68	51310936.22
Co(Q10)	37007255.24	12933443.55	16465268.30	43139334.95	50532371.02	44924214.72	10061838.28	14045608.12	40114227.16	26015870.71	30498704.74	31957614.13
Co(Q9)	254958.45	43197.26	67403.35	393084.20	506010.32	263816.69	44101.16	87305.20	527758.23	293300.47	143902.65	157967.01
DG(14:0_14:0)	2717065.18	2853720.19	1203221.89	2928110.66	2531293.13	3698090.01	2204310.23	2678268.79	2847888.29	2393283.46	2665691.93	3137819.96
DG(18:0_18:1)	674863.25	553642.42	323448.85	4882705.10	3373553.41	2245061.06	687865.17	779547.39	404801.74	1281386.62	1049812.22	683893.87
DG(18:1_18:1)	1846026.34	1457065.46	1583520.77	10966339.58	9413797.38	4291944.03	1817198.80	1932173.69	850245.14	4694138.73	3359799.81	2166071.47
DG(20:5_22:6)	215125.74	42624.95	29578.59	940911.68	744694.24	580743.19	14065.15	132291.45	183796.99	22773.89	61556.81	32813.73
LPC(16:0)	8857479.19	6031219.98	1992128.66	13970154.16	21224353.76	20331049.12	5820921.14	4176468.48	5723556.78	5010119.13	9989163.13	6553237.19
LPC(18:0)	2558701.15	1635046.15	580558.58	4665813.49	6214750.28	6381197.85	1543444.65	1237104.91	1212812.50	1452627.87	1979520.74	1263443.85
LPE(18:0)	1802641.53	917731.14	260374.24	3514514.40	4733916.66	4822875.02	422310.76	918206.00	813924.52	855086.24	1239947.02	1066465.80
LPE(18:1)	459394.22	288442.03	112942.19	1265592.67	1883821.40	1030776.03	156079.75	365306.74	249446.00	309563.16	619132.30	387969.59
LPE(20:4)	440768.34	243344.95	197994.70	1702498.38	1040156.85	726337.93	253861.30	504254.35	313389.50	468336.20	1441915.15	317348.43
OxLPC(15:0(COOH))	132668.55	103223.81	17936.24	92074.55	80505.94	200861.23	106792.09	100499.47	19138.87	59380.42	111032.74	93002.37
OxLPC(17:2(OO))	567690.51	414203.43	156310.40	1081229.74	759855.13	1561561.14	350160.17	564639.90	387198.66	440694.74	729543.93	1010791.42
OxLPC(17:2(Ke))	145044.60	96518.41	18273.85	237798.83	118517.53	382229.57	97749.65	149368.98	73023.10	103793.31	191924.61	283446.42
OxLPC(19:4(COOH))	908108.94	764139.16	227662.82	1313370.43	1033507.11	1565160.27	725215.80	803232.05	490951.59	824470.94	691076.83	1392881.52
OxLPC(19:5(CHO))	446592.18	373154.36	115632.94	613224.89	437075.54	724328.66	370297.84	389346.10	198770.71	461854.42	353470.55	659828.97
PC(16:0_18:1)	218471108.69	137093950.37	83470616.70	630857775.92	383574693.55	592325557.15	84878153.62	182873120.12	196989374.94	147297387.59	236619899.03	210026879.63
PC(16:0_16:1)	11663462.38	7831750.98	5911874.34	36162583.05	24964301.31	33325359.00	4547916.18	14934996.55	11925252.25	5973305.68	11728294.00	10813933.25
PC(18:0_18:1)	55355680.49	33052282.52	18811163.51	134549697.00	90739155.52	142352486.49	19357658.08	45460111.24	39626713.12	37205654.71	43769580.65	35423779.31
PE(15:0_15:0)	16732675.09	14222434.90	7631020.03	21310498.51	15960199.83	24470659.19	5766857.37	16472039.43	18241129.81	12489050.89	12281072.11	15324334.42
PE(16:0_20:4)	1749935.92	725748.07	532454.04	4777618.14	2892793.06	2828654.44	269272.62	1303072.99	927192.80	917238.69	710586.59	801415.96
PE(16:0_16:1)	130441.72	58334.09	62240.64	305090.72	115909.29	260766.67	31654.93	139145.82	77736.98	32043.34	47046.01	94365.81
PE(16:1_19:0)	450689.87	219621.68	208925.57	1713126.29	858703.54	948626.18	87164.67	336569.10	432334.07	159342.85	174658.33	246917.45
PE(17:0_17:0)	30587157.87	31272218.09	20425930.99	34472795.34	31255854.95	26078387.38	29016287.89	14065272.46	4902800.38	17347646.21	27861325.19	25788655.39
PE(17:0_17:1)	3501075.06	1917023.89	1521900.88	12802775.71	6497443.79	8474293.77	865325.53	3384551.38	2892786.79	2058133.74	2091280.37	2361640.87
PE(17:0_20:4)	284922.23	85594.17	42652.52	760939.08	376989.62	378173.79	13252.41	176876.54	132977.92	86160.27	114545.16	163705.32
PE(18:0_20:4)	14251055.90	3893038.11	2431203.81	37839688.97	21142854.71	30422708.90	634327.19	10535319.10	8636336.89	8136123.83	3753936.42	5723359.13
PE(18:0_20:3)	3830820.51	2528501.43	2107904.84	12899193.78	7936529.28	11666229.47	1060527.53	4684766.02	3112891.29	2776214.00	2366379.64	2323274.58
PE(18:0_22:6)	3347228.39	1884887.86	1479279.98	4017729.42	4570697.15	8752737.65	943056.97	1954966.91	3324927.09	1705077.03	1511766.01	2732122.27
PE(18:1_20:4)	2101600.28	1063014.75	965478.48	6788916.01	5043517.75	3932385.22	386440.07	2064353.61	1332760.36	1472895.76	1018360.64	1380122.75
PE(18:2_20:5)	0.00	0.00	0.00	11562.49	15057.80	50778.88	0.00	0.00	0.00	0.00	0.00	2846.44
PE(18:3_19:0)	139990.56	48913.11	29531.85	510465.20	351972.74	331737.39	0.00	114412.22	72199.23	52029.79	75370.12	45547.25
PE(20:1_20:4)	835550.76	364941.05	196429.89	1444021.13	1010079.68	2845800.88	43046.69	622667.36	927778.01	346389.53	173873.65	523909.78
PE(34:2)	334015.55	93230.53	166410.31	1407555.90	531399.90	903671.95	63186.79	287607.30	304628.32	182120.20	151247.77	268159.99
PE(35:2)	169077.81	78711.31	96501.48	454787.15	128256.96	184107.68	56057.23	139077.81	226758.31	67540.74	159294.07	174208.47
PE(36:1)	9710140.52	4796841.34	3679932.34	41826668.81	20919192.32	27978802.20	1842206.50	7656388.38	8883139.00	6547347.64	4382779.47	5791606.90
PE(36:2)	5028038.30	2890629.53	2756844.57	22336249.24	9525762.96	11458820.77	1199551.06	5270967.75	4866773.16	4041299.73	3746069.58	4162143.57
PE(36:3)	616095.64	171863.93	157728.74	1773580.24	624746.57	934629.81	49999.60	365923.81	307171.65	249870.45	157823.34	369027.61
PE(38:1)	197306.98	79176.87	30581.19	596651.30	201118.67	482680.12	2307.01	179879.98	130997.75	61395.02	50377.56	56558.73
PE(38:2)	546439.51	84220.44	215478.82	1024966.21	735337.77	946530.54	91903.86	235000.73	451796.82	256649.48	373264.73	311723.98
PE(38:3)	420669.08	171548.22	99334.54	1058877.70	837011.21	762091.28	51148.00	339967.18	314631.51	232626.24	241305.60	209079.39
PE(38:5)	329903.80	98639.83	106572.83	646784.39	547559.75	1225525.64	39136.36	271331.45	368959.31	147396.81	121444.08	250539.22
PE(38:6)	298860.91	81385.62	73748.22	423431.57	557188.63	626853.94	0.00	136822.86	213753.90	100309.48	54075.73	142650.89
PE(40:3)	608144.15	354478.64	344125.12	1899494.19	1256575.52	1581914.52	144662.56	567078.90	494885.91	378087.91	292621.40	225656.95
PE(40:4)	1448655.95	819648.08	539624.02	3178185.58	2328064.76	2539655.36	205609.29	1193238.03	603662.15	727248.39	643540.43	451684.42
PE(40:5)	986273.54	451670.47	433263.50	2428433.51	1401986.88	929410.56	148605.64	842511.04	255240.89	400945.57	474509.47	243605.37
PE(40:6)	71449.99	15803.80	0.00	199608.11	155875.61	290440.20	0.00	51114.86	101783.68	29655.27	6610.64	71190.33
PG(14:0_14:0)	10366635.90	11531572.90	5499144.10	11568507.43	10365779.93	12970840.98	8995130.12	10572689.98	11765663.09	9694257.15	10819705.21	12648606.85
plasmanyl-TG(O-16:0_16:0_18:1)	4044082.79	1872057.71	973610.59	9807462.10	4213951.05	7429548.99	3262040.62	2179012.04	2740985.99	5270225.61	9676955.47	8458346.10
plasmanyl-TG(O-18:1_16:0_18:1)	3111050.15	1993260.12	932454.66	6714465.95	4382155.42	7707874.42	3855569.35	1187484.63	3027548.92	8231693.40	10895923.39	7794766.05
plasmanyl-TG(O-18:0_16:0_16:0)	0.00	0.00	0.00	1747005.88	0.00	1112797.68	0.00	0.00	0.00	0.00	174971.23	268607.28
plasmanyl-TG(O-18:0_16:0_18:1)	2058166.03	1185254.77	381705.52	5011061.12	3383328.94	4250804.44	1950046.43	945153.66	1782009.64	3744160.44	5102698.38	4100297.23
plasmanyl-TG(O-16:0_16:0_16:0)	1393132.68	400931.25	176395.00	3129954.86	723721.62	1772447.50	664080.14	904283.07	630242.63	740762.84	1464247.48	1769454.32
plasmanyl-TG(O-16:1_16:0_18:1)	1007089.25	439496.71	200667.72	1918252.10	1016966.66	2313752.63	826803.17	537143.49	641267.36	1520845.49	2483370.44	2032988.33
plasmanyl-TG(O-16:1_16:0_16:0)	1231705.15	283710.79	228772.97	1806959.19	775356.98	1539118.11	540979.54	532559.81	443446.66	772895.06	1799746.62	1575691.72
plasmanyl-TG(O-16:0_18:1_20:2)	866315.33	776860.01	131300.40	1495722.09	656512.26	1724401.97	1361056.57	156550.56	660461.50	2709131.49	2982988.71	1593681.28
plasmanyl-TG(O-16:0_18:1_20:1)	679787.84	439779.42	182335.57	1420997.63	1654990.63	1516190.22	826621.40	203213.15	511599.00	1925716.86	2680735.20	1621229.23
plasmanyl-TG(O-16:1_18:1_18:1)	338689.46	215720.62	29443.86	355422.74	479313.47	818268.87	268299.56	103901.12	184242.11	758243.52	1089550.30	499268.94
plasmanyl-TG(O-18:0_18:0_18:1)	413214.92	279789.66	39985.83	1049098.57	1047219.13	837738.51	282292.03	129427.28	146067.57	727483.67	808921.87	517119.95
plasmanyl-TG(O-18:0_18:1_20:1)	172445.89	121165.71	3954.33	175182.78	291979.99	317655.18	200256.37	8633.74	19897.75	413849.36	659962.67	213228.94
plasmanyl-TG(O-20:0_16:0_16:0)	245474.98	146701.37	17455.96	805976.38	392297.08	573688.42	176617.10	123198.31	218378.93	277975.20	267859.57	202601.17
plasmenyl-TG(P-20:1_18:1_18:1)	347306.62	452092.51	51738.42	478816.66	669018.81	707742.73	1097318.90	30012.91	63071.12	1792086.87	1494830.13	376336.98
Plasmenyl-PC(P-16:0/18:1)	22201297.60	17184619.25	12132004.21	75902254.42	41695036.99	63980661.21	9657940.38	28019220.48	23678523.10	21239341.88	31932208.39	28245136.70
Plasmenyl-PE(P-16:0/20:4)	17776930.86	10128028.16	7722410.30	55906131.87	28157128.30	37776894.16	3712063.61	18305372.66	17942303.00	13995974.06	8832419.95	13782414.76
Plasmenyl-PE(P-16:0/18:1)	7491137.01	4133133.76	3276481.11	27988888.23	12845350.21	21364499.57	1360009.09	9630450.50	8926731.95	4509397.71	5232524.35	6790247.44
Plasmenyl-PC(P-18:1/20:4)	8792715.01	5133072.95	3848830.39	21763621.74	8694407.70	20498257.02	2962977.10	7055485.54	8708228.22	7878069.66	3824802.43	7435364.51
Plasmenyl-PE(P-16:0/20:3)	3749318.75	2547632.33	2300395.68	13432988.92	8434005.84	13490350.08	919836.47	6403134.61	4573760.95	3321903.80	3221213.54	3321167.36
Plasmenyl-PE(P-18:1/18:1)	2637955.20	1352937.07	1325464.20	8566857.05	5708837.26	8254716.63	394738.08	3054101.98	2774831.63	1972954.07	1860921.03	2334016.00
SM(d18:1/20:0)	4855997.44	2859119.69	1824078.95	13998567.53	3819951.23	11010712.19	1991921.50	5401741.64	5157908.69	2642744.33	3961518.88	3597027.74
TG(10:0_16:0_18:1)	2836354.31	1969278.70	1716320.74	31887314.69	72311452.70	6640535.38	4205845.65	1558477.75	1637839.21	1831736.78	1865186.73	1747599.97
TG(12:0_16:0_18:1)	14571298.96	6834351.60	6394707.85	64036458.84	118162346.20	16493097.11	12621848.26	6010626.02	5553896.72	7278183.22	11233844.30	6742831.48
TG(14:0_16:0_18:1)	38694833.35	17037311.12	14752324.71	285293225.84	501690923.54	69620032.07	43569367.90	11508852.22	11723788.42	20365105.48	50010095.46	24627220.64
TG(14:0_16:0_16:0)	19318743.03	9562001.25	8536280.50	84722197.62	95009067.12	26192542.14	16669208.76	8382271.74	6444384.75	8064854.32	9969420.72	10091425.82
TG(14:0_14:0_16:0)	7235381.86	4296802.84	3501944.80	27212264.59	31338912.07	8314562.40	6165641.47	3374167.74	3395889.89	3259786.21	3691077.30	3029929.50
TG(14:0_14:0_18:1)	1298134.39	1217428.93	1167100.44	2440418.58	2830543.74	1372826.81	1299700.30	1121435.74	1121459.52	1281698.19	1347703.65	1193277.18
TG(15:0_15:0_15:0)	192932615.59	209387222.46	96209748.40	206256364.26	186901599.53	244989043.56	168178846.81	196877621.69	209252208.41	180921112.34	197831238.64	211300940.80
TG(16:0_18:1_18:1)	89419346.05	79577981.17	64185404.17	2221200480.37	4301403219.93	710630508.08	354886667.99	36702925.96	57858064.97	200850538.02	558315751.65	177765559.36
TG(16:0_16:0_18:1)	77660444.17	49215006.57	34054888.55	1036156243.14	1387074119.08	364053695.81	188661583.67	29251479.04	28111015.15	73496037.04	220986212.74	91781128.86
TG(16:0_18:0_18:1)	47262357.64	62985596.40	25051940.27	1692964492.75	2241599735.97	689962587.78	267386836.26	23281112.03	26573651.54	82750687.73	183315687.60	73827195.10
TG(16:0_18:1_20:1)	39372423.86	50948923.89	28458565.47	1497000716.87	2723225196.35	611037798.80	256614841.45	17577756.09	36207424.55	136519864.51	283827568.40	93892920.65
TG(16:0_16:0_16:0)	28638478.42	19163905.62	13674261.76	229319937.90	217030986.77	90174345.61	47758482.99	14303085.04	11492699.22	16240941.46	27911297.92	20085673.68
TG(16:0_16:0_18:0)	19011255.97	20873349.19	8742014.45	427747860.94	443376687.45	193969863.23	66898624.17	10868523.73	7519711.66	14697847.25	28531961.57	17568675.71
TG(16:0_16:1_16:1)	14609486.87	7944771.93	7656535.34	58949174.47	101936049.04	15600821.52	14951401.83	6858306.55	9242118.24	13655363.53	23454495.04	9371309.45
TG(16:0_18:3_20:1)	2705526.96	2251817.28	2023226.46	12566954.25	12177561.30	6219130.42	7148536.77	1761795.18	2298703.70	3332613.78	4543753.88	2664930.50
TG(16:0_18:1_24:1)	1254063.41	1163804.03	856466.42	8682694.78	10613727.40	3784640.63	2383933.42	643999.96	1063075.01	1987374.85	1831944.86	1687686.11
TG(16:0_20:1_22:2)	746012.18	855900.27	441677.14	8443664.90	10244005.17	4184452.69	2815107.43	398693.98	844097.26	2060145.29	2384624.39	1616869.53
TG(16:1_18:1_18:1)	26158523.98	19980240.25	21015648.23	369709466.44	683723088.42	91690898.25	72668750.58	11609135.97	17158801.19	52260456.10	132520347.53	41546832.34
TG(16:1_16:1_18:1)	7784131.42	5354247.23	5514759.31	32189762.37	96256971.39	7794903.84	7739310.04	4073329.72	5138256.28	14162464.09	16026872.03	4573864.21
TG(16:1_18:1_20:2)	597391.60	579389.84	567898.43	468749.60	471489.80	559113.04	614542.65	586564.10	578929.30	598341.47	618724.87	587010.82
TG(17:0_17:0_17:0)	387734995.30	422530159.71	279581071.43	417135241.94	415548641.12	342453531.82	403259391.01	178351935.16	70762358.82	223522609.39	363307038.62	389673594.60
TG(18:0_18:0_18:1)	9920304.57	25253219.66	4404088.69	1004655798.23	1285811430.76	484729565.60	143770298.95	6085067.60	7844284.50	22872186.62	39376698.21	18545276.10
TG(18:0_18:1_20:1)	3337168.74	3326061.69	2170851.48	56529516.29	81652760.84	23831960.85	12069036.91	1806448.26	2907075.81	6310740.48	8381961.02	7970715.17
TG(18:0_18:0_18:0)	3168090.94	5097958.39	2252528.49	170427916.55	165401468.57	105779798.87	21187353.71	2211720.46	2024646.52	2372792.51	2801151.35	2576064.57
TG(18:1_18:1_18:1)	55634367.41	59946986.84	53202553.24	870976621.47	1436881779.56	288926979.67	215828573.91	28982953.14	51153175.45	202752999.74	432977195.70	120807286.83
TG(18:1_18:1_20:1)	4262782.50	4753281.08	2743456.71	57761195.98	73463796.78	29123433.52	17174787.76	2295322.46	4516873.04	10935258.22	19188907.50	12100825.40
TG(18:1_18:1_18:2)	898863.36	877808.18	876511.13	1339920.94	1503620.34	1022258.10	1041606.83	888228.18	908526.90	945493.49	1003891.54	907256.70
TG(18:1_18:1_24:1)	430774.77	435959.67	230130.33	4008969.61	4563307.77	1894379.52	1043984.73	235302.63	516587.54	1268513.56	903633.89	716410.88
PI(38:3)	455842.61	741876.08	629642.91	3577460.98	3841375.58	1251957.33	301574.24	1504910.09	1223065.10	933357.86	1663063.48	1183991.23
PI(38:4)	691893.77	844093.70	658127.89	4160400.66	3293780.52	867937.11	375143.21	1313327.76	1275061.78	1545265.19	1015848.44	1153345.61
AcCa(2:0)	39021020.20	8563757.46	46396501.00	61868040.04	7844167.14	54133713.67	7747098.51	28597573.84	16963356.20	21220913.87	8602490.80	16785104.74
AcCa(4:0-OH)	1393650.08	440827.57	1127096.86	1773099.99	130172.22	1126402.95	582772.99	957491.77	524953.61	364715.40	673434.35	1554341.25
AcCa(12:0)	2437738.75	397337.82	3317635.16	5971877.93	392096.86	1153524.27	330304.21	4433304.15	1107238.00	1377638.73	295463.17	1332191.96
AcCa(16:0)	4160745.56	664229.92	3186439.17	28345115.01	1332548.82	2751197.58	450633.04	14010962.44	1730535.06	8248259.36	947943.17	3281539.88
AcCa(16-OH)	1224697.35	354324.95	1006630.63	4035258.73	351194.57	653659.64	162184.59	1161557.17	663749.87	2026026.41	682485.10	1493947.73
AcCa(18:0)	2481377.68	910457.27	1672679.11	22749822.87	1443782.42	2415890.05	633187.34	10365981.75	2375304.68	7623056.83	1779762.56	3070976.75
AcCa(18:1)	1642517.75	455931.64	9661006.33	32203811.91	1324666.78	2510041.85	419690.50	15854552.93	2259941.39	10486568.10	419575.71	2054860.62
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]+
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)(36:3)	14.9373125	1473.053691	[M+NH4]+
CL(36:2)(36:2)	15.2218125	1475.068602	[M+NH4]+
CL(36:3)(36:3)	14.611	1471.037925	[M+NH4]+
LPC(17:0)	1.761545833	510.3562936	[M+H]+
LPC(18:1)	1.310533772	522.356014	[M+H]+
LPC(19:0)	3.2414075	538.3863802	[M+H]+
PC(15:0_18:1)	8.090487838	746.5686918	[M+H]+
PC(16:0_20:4)	7.79813964	782.5690622	[M+H]+
PC(16:0_18:2)	7.925981667	758.569519	[M+H]+
PC(16:0_16:0)	8.366928947	734.5700579	[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(16:0_20:3)	8.22222125	784.5838148	[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_20:4)	8.422563063	810.599974	[M+H]+
PC(18:0_20:3)	8.944098333	812.6117443	[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(18:1_18:1)	8.830399123	744.5545373	[M+H]+
Plasmanyl-PC(O-16:0/20:4)	8.549910833	768.5885053	[M+H]+
Plasmanyl-LPC(O-16:1)	1.565781481	480.345608	[M+H]+
Plasmanyl-PC(O-18:0/18:2)	9.43287037	772.620742	[M+H]+
Plasmenyl-PE(P-18:0/20:4)	8.888366667	752.5634022	[M+H]+
Plasmenyl-PC(P-18:1/18:1)	8.741589352	770.6055181	[M+H]+
Plasmenyl-PE(P-18:1/20:3)	8.72751125	752.5613848	[M+H]+
Plasmenyl-PC(P-16:0/18:2)	8.174275	742.5744658	[M+H]+
Plasmenyl-PC(P-18:1/20:3)	8.549297222	794.6056694	[M+H]+
Plasmenyl-PC(P-16:0/20:3)	8.33914875	768.5885088	[M+H]+
Plasmenyl-PE(P-16:0/22:6)	8.013619444	748.5271263	[M+H]+
Plasmenyl-PC(P-16:0/16:0)	8.684303509	718.5745917	[M+H]+
Plasmenyl-PC(P-16:0/22:6)	7.858001389	790.57408	[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-PC(P-16:0/20:5)	7.625810101	764.5590278	[M+H]+
Plasmenyl-PE(P-16:0/22:3)	9.258377315	754.5746598	[M+H]+
Plasmenyl-PE(P-18:0/22:5)	8.896154762	778.5753298	[M+H]+
Plasmenyl-PE(P-16:0/20:5)	7.7755175	722.5102796	[M+H]+
PS(17:0_17:0)	8.54166375	764.5438892	[M+H]+
SM(d18:1/18:0)	8.374719907	731.6059863	[M+H]+
SM(d18:1/16:0)	7.6903725	703.5744092	[M+H]+
SM(d18:1/24:1)	9.826246759	813.6842099	[M+H]+
SM(d18:1/22:0)	9.895576389	787.6684245	[M+H]+
SM(d18:1/24:0)	10.8542537	815.6994906	[M+H]+
TG(15:0_16:0_18:1)	15.031625	836.769319	[M+NH4]+
TG(15:0_16:0_16:0)	15.01153417	810.7538391	[M+NH4]+
TG(16:0_18:1_20:3)	15.01318625	900.8014244	[M+NH4]+
TG(16:0_18:0_18:0)	15.98087458	880.8317761	[M+NH4]+
TG(16:0_17:1_18:1)	15.04131875	862.7852363	[M+NH4]+
TG(16:0_17:0_18:1)	15.423675	864.8010333	[M+NH4]+
TG(16:0_18:1_18:2)	15.02976833	874.784991	[M+NH4]+
TG(16:0_18:1_20:4)	14.6976225	898.7859751	[M+NH4]+
TG(16:0_16:1_18:1)	14.82641625	848.7697855	[M+NH4]+
TG(16:0_16:0_18:3)	14.73527625	846.7538904	[M+NH4]+
TG(16:1_18:1_18:2)	14.56429833	872.7698187	[M+NH4]+
TG(17:0_18:1_18:1)	15.42674833	890.8170502	[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_20:2)	15.4296075	916.8316304	[M+NH4]+
TG(17:1_18:1_18:1)	15.04651583	888.8012625	[M+NH4]+
TG(18:0_18:1_20:3)	15.46128292	928.831887	[M+NH4]+
TG(18:1_18:1_20:3)	15.10509103	926.8165746	[M+NH4]+
TG(18:1_18:1_19:0)	15.7820575	918.8481795	[M+NH4]+
TG(18:1_18:1_20:4)	14.71326944	924.8011364	[M+NH4]+
Cer(d18:1/17:0)	8.712668333	552.535028	[M+H]+
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(18:0)	2.393260417	524.3711038	[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(OO))	8.413332407	538.3140612	[M+H]+
OxLPC(17:2(Ke))	8.414668056	520.3035784	[M+H]+
OxLPC(19:4(COOH))	7.821014352	560.298487	[M+H]+
OxLPC(19:5(CHO))	7.82462	542.2885589	[M+H]+
PC(16:0_18:1)	8.405399583	760.5850467	[M+H]+
PC(16:0_16:1)	7.802637179	732.5535027	[M+H]+
PC(18:0_18:1)	9.122238333	788.6153553	[M+H]+
PE(15:0_15:0)	7.8575875	664.4903132	[M+H]+
PE(16:0_20:4)	7.935416667	740.5230912	[M+H]+
PE(16:0_16:1)	7.91489625	690.5059305	[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_20:4)	8.567961261	768.5527731	[M+H]+
PE(18:0_20:3)	9.112019444	770.5692185	[M+H]+
PE(18:0_22:6)	8.360682083	792.5530302	[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]+
plasmanyl-TG(O-16:0_16:0_18:1)	15.74276625	836.8061121	[M+NH4]
plasmanyl-TG(O-18:1_16:0_18:1)	15.7335275	862.8220187	[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-16:0_16:0_16:0)	15.75500292	810.7902865	[M+NH4]
plasmanyl-TG(O-16:1_16:0_18:1)	15.38527333	834.7906453	[M+NH4]
plasmanyl-TG(O-16:1_16:0_16:0)	15.3780875	808.7751258	[M+NH4]
plasmanyl-TG(O-16:0_18:1_20:2)	15.74588796	888.836923	[M+NH4]
plasmanyl-TG(O-16:0_18:1_20:1)	16.07621625	890.8530009	[M+NH4]
plasmanyl-TG(O-16:1_18:1_18:1)	15.40018904	860.8063067	[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-20:0_16:0_16:0)	16.3955188	866.8532239	[M+NH4]
plasmenyl-TG(P-20:1_18:1_18:1)	15.84425762	914.8527494	[M+NH4]+
Plasmenyl-PC(P-16:0/18:1)	8.70977037	744.5899653	[M+H]+
Plasmenyl-PE(P-16:0/20:4)	8.222941667	724.5288378	[M+H]+
Plasmenyl-PE(P-16:0/18:1)	8.900286574	702.5429728	[M+H]+
Plasmenyl-PC(P-18:1/20:4)	8.075968056	792.5900347	[M+H]+
Plasmenyl-PE(P-16:0/20:3)	8.726461111	726.5436309	[M+H]+
Plasmenyl-PE(P-18:1/18:1)	8.936510185	728.5592327	[M+H]+
SM(d18:1/20:0)	9.104190741	759.6377668	[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_16:0_18:1)	14.81685625	822.7542284	[M+NH4]+
TG(14:0_16:0_16:0)	14.80152667	796.7386354	[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(15:0_15:0_15:0)	14.5468125	782.7228711	[M+NH4]+
TG(16:0_18:1_18:1)	15.24363625	876.8011724	[M+NH4]+
TG(16:0_16:0_18:1)	15.24456875	850.785207	[M+NH4]+
TG(16:0_18:0_18:1)	15.6265275	878.8158677	[M+NH4]+
TG(16:0_18:1_20:1)	15.61978875	904.8318232	[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_16:1_16:1)	14.36319833	820.7387779	[M+NH4]+
TG(16:0_18:3_20:1)	15.16115125	900.8015826	[M+NH4]+
TG(16:0_18:1_24:1)	16.259195	960.8945822	[M+NH4]+
TG(16:0_20:1_22:2)	15.95836333	958.8796157	[M+NH4]+
TG(16:1_18:1_18:1)	14.84144583	874.7847606	[M+NH4]+
TG(16:1_16:1_18:1)	14.40918875	846.7540416	[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(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_18:0_18:0)	16.2840525	908.8639169	[M+NH4]+
TG(18:1_18:1_18:1)	15.23993833	902.8167247	[M+NH4]+
TG(18:1_18:1_20:1)	15.6198	930.8474872	[M+NH4]+
TG(18:1_18:1_18:2)	15.40273375	900.8015323	[M+NH4]+
TG(18:1_18:1_24:1)	16.23654583	986.9101194	[M+NH4]+
PI(38:3)	8.388918519	906.6063007	[M+NH4]+
PI(38:4)	7.930093981	904.5910409	[M+NH4]+
AcCa(2:0)	204.1233109	0.313123333	[M+H]+
AcCa(4:0-OH)	248.1498977	0.3132975	[M+H]+
AcCa(12:0)	344.2795506	0.511854583	[M+H]+
AcCa(16:0)	400.3422771	1.32149625	[M+H]+
AcCa(16-OH)	416.3371603	0.834484167	[M+H]+
AcCa(18:0)	428.3735204	2.40149875	[M+H]+
AcCa(18:1)	426.357852	1.477847083	[M+H]+
METABOLITES_END
#END