#METABOLOMICS WORKBENCH jwalejko_20181130_110228 DATATRACK_ID:1578 STUDY_ID:ST001106 ANALYSIS_ID:AN001800 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                      	NEGATIVE
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	734.00	767.00	729.00	753.00	770.00	706.00	717.00	802.00	1576.00	3843.00	1610-16	1577.00
Factors	Treatment:Control
Cer(d18:1/24:0)	383759.97	1183464.09	1846503.78	506912.84	237811.36	1254027.88	337269.75	583251.68	349214.32	387251.65	395368.58	503533.54
CL(16:1_18:1_18:1_18:1)	2087530.86	2525621.81	3537742.14	4032279.59	1892510.06	1382668.45	1116779.26	1656462.12	2196408.41	1590484.98	2487841.04	2844856.47
CL(16:1_18:1_18:1_18:2)	944379.36	929564.08	2556399.57	1566812.03	1207503.06	1197867.21	589133.08	1037530.49	1524836.75	1160111.37	1220790.32	2048096.75
CL(16:1_18:1_18:1_20:1)	1851150.70	455356.05	175220.02	3292990.06	1590211.81	102993.35	636055.79	1383824.82	1371501.17	1550844.09	1936011.62	343385.07
CL(16:1_18:1_18:2_18:2)	73162.98	107413.30	227859.67	160936.20	150891.98	114515.01	47709.38	136034.23	209620.82	182343.75	114565.95	285262.44
CL(18:0_18:0_18:1_20:2)	4488322.54	15699668.33	26909271.75	7726488.70	4249211.62	13127656.69	1851852.16	7138814.51	6291112.58	5750228.87	7309501.13	5677333.89
CL(18:1_18:1_18:1_18:2)	4052153.76	3560362.57	7691240.82	4774231.14	4098413.59	2888128.06	2103563.38	4042632.99	4958388.59	5987677.23	4246255.90	4705830.16
CL(18:1_18:1_18:1_18:1)	3059249.28	1956094.42	2764826.93	5262616.53	2615462.32	1369004.33	1183389.64	2350482.68	2539217.22	2841015.59	3313777.16	1773681.25
CL(18:1_18:1_18:2_18:2)	1390144.60	890622.73	3101152.36	1375286.53	1743563.80	1392204.77	630595.34	1767364.72	2087389.79	2866636.47	1418923.69	2043939.11
CL(18:1_18:1_18:1_20:3)	600266.07	566137.57	1092801.54	764420.96	552549.54	504820.57	254561.60	506813.34	469682.56	728777.13	523201.98	456946.61
CL(18:1_18:1_18:2_18:3)	136476.81	53582.89	243939.09	113471.96	138612.12	69860.80	72943.90	230844.12	326073.88	368260.68	130687.07	258350.89
LPC(16:0)	2668773.27	8497758.28	5877199.63	1735723.42	806869.40	9459688.21	2588358.14	3633540.62	2742510.92	2068930.47	2369975.84	4324473.33
LPC(17:0)	25964579.86	36618112.59	30645861.43	24549067.60	12345240.72	27156082.36	19707897.55	26155917.40	28522843.68	20995711.04	25444295.07	26662404.30
LPC(18:0)	658491.60	2386455.49	1848689.89	495085.49	203706.18	2423975.93	602784.73	974781.26	470710.68	549849.81	457561.89	802107.00
LPC(18:1)	1300482.09	6112234.33	6494875.59	1843903.02	819265.65	5920375.89	2251217.99	2446555.59	2045075.06	2536355.28	1424293.77	5458778.09
LPC(19:0)	49653461.85	46924133.84	68824827.01	22548143.55	37176101.52	53594141.60	57501307.11	63427452.82	55778201.55	26182175.33	7458259.43	46208663.31
LPE(18:1)	702129.91	1285930.04	1703262.65	448175.42	144120.96	4173140.40	230315.23	674583.41	904688.23	842979.60	784131.12	2703972.32
PC(14:0_16:0)	445429.31	1651867.60	2508151.70	1154349.95	339964.87	2433329.00	244897.38	1420796.07	312480.56	168326.41	740187.64	454284.47
PC(16:0_20:4)	10244402.92	26798544.74	31732828.27	12440796.93	6040163.80	24541511.86	6545914.16	16482418.30	9757178.40	14299928.44	11460928.97	9095848.07
PC(16:0_18:2)	5260866.94	17714175.16	18506788.42	7560227.00	3360740.25	12758287.75	2618455.12	11568938.98	7751869.92	5183259.97	6521257.33	8301726.97
PC(16:0_20:3)	4309125.46	16027568.96	11654929.37	6734029.55	2658004.27	10229868.22	2710908.77	5692317.87	3921547.73	4576033.10	4642697.48	5260167.17
PC(16:0_17:1)	847771.78	3034623.08	3365186.88	1192900.19	523950.56	2664871.01	558682.59	1609044.02	1353818.73	632325.51	1594113.52	1376215.93
PC(16:0_22:6)	658900.46	3547133.92	1417736.72	743203.94	371997.53	2384787.10	190657.64	1295309.14	1477560.90	803753.48	1622698.66	709137.55
PC(16:0_18:3)	935848.17	2438628.24	2626674.32	1193902.68	536227.77	1953229.44	505774.50	1220849.73	959200.88	855386.30	803447.15	967049.75
PC(16:0_20:5)	404310.21	3124230.66	1096357.61	580757.60	216142.55	973992.06	142446.80	722011.98	874628.34	561407.48	1329303.96	313450.17
PC(16:0_22:3)	936826.74	2040053.30	1974716.96	917452.11	671799.45	2301376.64	624727.83	1336709.86	534718.43	930570.22	707667.74	956803.55
PC(17:0_17:0)	14846227.18	21333311.41	18473077.04	14989143.93	7690009.78	15545371.19	11705509.16	15917889.47	16556950.28	12803535.27	15753333.53	15324927.12
PC(17:0_18:1)	1387548.24	3945408.27	4900203.88	1479515.03	780081.47	3569808.23	805046.94	2229879.32	1810642.09	1098105.51	2104802.20	2235506.06
PC(17:1_18:1)	451281.47	1530151.18	2111643.49	646513.98	314613.76	1563815.05	273944.57	941127.57	666793.80	415988.83	657622.19	856446.33
PC(18:0_18:1)	12963677.36	49083391.99	45102584.91	16994897.25	7568592.66	32878542.68	8044391.42	20428449.82	13409883.48	14099728.51	14816461.42	16738395.20
PC(18:0_20:4)	4155759.35	9850902.15	11897308.21	4745658.92	2577104.26	10725116.93	2838613.47	6290482.95	2327893.57	5695198.41	3770709.26	2305526.34
PC(18:0_20:3)	1694461.18	6048158.33	4496927.88	2534658.48	1014893.28	3625009.58	1127295.71	1957944.43	905312.04	1710044.72	1482162.39	1295557.66
PC(18:0_22:5)	438969.47	1947659.61	1117046.81	544893.01	173991.46	940254.00	234378.30	675502.72	422541.28	484548.87	615322.97	277269.19
PC(18:0_22:6)	216196.96	1243223.11	462633.45	250147.73	114661.99	826917.87	69725.10	403718.61	287963.83	283035.64	447426.21	174385.26
PC(18:0_22:4)	364894.11	813983.98	1157710.91	416966.67	229394.09	981873.34	275063.83	466095.28	111899.70	403830.53	132609.00	235314.38
PC(18:1_18:1)	13940054.38	44018775.26	53040403.06	18696356.80	10672968.83	33077626.87	9332791.50	21706082.80	17023286.12	16842463.23	16813962.27	24507975.85
PC(18:1_18:2)	2652347.25	7664239.19	7988475.04	3079219.82	1718352.72	5711538.97	687980.68	5490032.16	1631588.64	2212310.42	2828813.02	1101201.90
PC(18:1_20:4)	3081854.07	10647847.29	10829965.90	3733775.64	1790232.40	7630900.80	1719534.57	4762204.02	3294607.87	4163173.50	4087377.76	2576141.38
PC(18:1_20:3)	1518859.69	3893148.94	4641234.92	1959174.12	1035821.77	3790385.30	1056032.85	1792542.70	962524.64	1652321.73	1001881.55	1682129.82
PC(18:1_20:1)	588048.44	2207480.66	1848253.42	928235.67	282339.42	1564925.24	368299.81	928335.63	430311.80	297896.20	591263.28	678727.69
PC(18:1_20:5)	133655.73	733507.11	474884.28	146544.42	71846.66	381009.52	24219.17	273522.17	146905.79	262538.36	300453.42	61647.76
PC(18:1_22:6)	139366.77	782675.53	537153.52	203080.63	89067.79	928582.74	35891.20	240399.93	240945.83	237109.81	333708.26	155621.28
PC(18:1_22:5)	141847.73	801805.69	562006.47	188333.22	99750.19	371823.32	89454.54	225648.76	171041.47	147105.69	250292.97	102638.74
PE(16:0_20:3)	452428.03	1424643.61	1477481.69	742687.01	343734.11	1146936.18	206135.19	568316.94	373863.57	472671.39	423538.25	506890.26
PE(16:0_22:6)	180159.94	913595.45	678603.19	290671.54	171174.08	957804.61	46909.44	475974.50	299973.80	255338.83	496394.20	155088.98
PE(16:1_18:1)	240947.74	1207540.50	1749551.45	580398.78	242297.21	826483.70	109045.19	532284.87	415096.45	275655.27	475366.39	286182.65
PE(17:0_18:1)	251678.07	1121885.20	1955234.84	373465.80	197943.50	1056649.21	90282.52	569094.36	353209.13	234700.99	511979.32	285170.80
PE(17:0_20:4)	253376.91	573103.91	921296.77	195960.03	92962.03	467554.79	143128.40	428107.25	360610.55	258920.74	332029.93	383602.41
PE(17:1_18:1)	289238.18	618206.50	751777.84	308437.63	199523.57	431232.99	295475.78	282840.71	729314.61	303372.19	441699.18	536228.85
PE(18:0_18:1)	6881519.52	35678628.04	51616330.39	10182166.44	5333905.29	27437445.08	2655779.72	12950998.90	7842504.22	8459860.05	11831125.08	6128793.88
PE(18:0_22:6)	910209.80	5750001.89	2327986.24	1237756.71	659595.99	3192137.00	73359.78	2238497.15	1967426.07	1019949.83	2371241.63	844660.69
PE(18:0_22:5)	541543.65	3543436.24	1820137.48	866227.53	334539.57	1240361.86	70969.34	1102509.72	753353.69	566334.95	1223378.62	339425.90
PE(18:0_20:5)	430975.62	2201861.98	1907647.70	720794.25	355242.73	1327668.02	134562.38	870604.62	483810.41	521496.02	754929.05	432810.05
PE(18:0_22:4)	853365.13	2313761.00	3356344.99	1134535.96	683345.39	2205737.53	258527.82	1417266.18	468110.01	749999.43	674483.13	559024.09
PE(18:0_22:3)	591124.47	2004461.98	2424592.88	762845.81	490306.09	1598767.64	184201.64	712229.80	300796.45	537789.56	616903.84	426540.86
PE(18:0_20:3)	3423687.73	13261343.23	14113539.92	5873939.44	2710978.21	9303203.36	1455828.14	4820666.08	2871604.65	3377911.44	3702943.57	3017565.61
PE(18:0_20:2)	272229.30	814619.59	1473750.07	519423.28	240262.43	796397.83	83237.63	253078.23	254612.46	142008.08	347175.12	162621.08
PE(18:1_20:4)	2003169.13	6396735.10	10409756.98	3537926.94	1668523.36	7382792.31	815562.55	3837962.94	2733225.04	2641991.06	2451748.27	2130629.82
PE(18:1_18:2)	296503.62	1308297.94	2016533.03	487288.05	250550.49	813743.30	96458.37	857970.37	586914.16	438913.76	538232.45	260851.38
PE(18:1_20:1)	493728.48	1241064.29	2618881.96	610339.43	258717.25	1462955.53	153310.68	537673.63	256399.74	264898.10	607325.05	383686.51
PE(18:1_22:6)	170252.62	970600.81	559688.38	278568.06	133391.04	1050629.82	13122.29	431106.00	379321.14	244472.47	503188.49	155468.09
PE(18:2_20:4)	68793.43	406917.20	303417.84	113041.11	45748.49	179515.65	8110.14	133942.14	161435.45	129117.64	127016.55	43786.76
PG(16:0_18:1)	3189046.85	11392688.49	10621292.30	5472038.28	2563608.43	7827170.07	1825784.77	6066518.50	5642959.09	3230575.98	6004001.22	5977964.44
PG(18:0_18:1)	1079921.57	3816289.06	3316799.69	1185289.26	665513.43	2227959.32	588475.79	1422366.63	1761457.77	1220401.84	1889963.10	1746615.24
PG(18:1_18:1)	167762.51	886089.57	586034.78	297363.28	228031.89	483458.63	153662.23	144843.18	351389.44	405948.16	296537.90	416907.66
PI(16:0_18:1)	516556.53	628237.80	3195462.83	1169669.52	607884.71	1330787.18	208281.68	512131.22	879304.72	722651.54	945481.75	1059801.58
PI(16:0_20:3)	235559.07	207170.94	915702.55	448039.93	141200.27	787162.98	50274.93	155582.98	289492.92	177815.85	334768.89	478465.65
PI(16:0_20:4)	121852.54	96026.22	699119.37	225416.28	94561.92	492093.81	45267.22	132327.84	138949.48	152283.56	172077.82	132242.81
PI(18:0_20:4)	2866652.11	2645896.16	11329475.07	3903179.55	2213326.63	9380256.63	1263676.71	2416714.19	3602284.46	4605671.92	4282828.49	3363014.42
PI(18:0_20:3)	2070519.56	2305414.33	5839967.66	3418398.46	1735042.28	7191312.27	828830.70	1337934.74	2964596.90	2259767.39	3129398.55	3647043.46
PI(18:0_18:1)	1710502.69	1772309.01	7678154.71	2442467.39	1433673.07	3700616.45	501951.63	1357852.59	3208783.30	2832250.26	3207547.78	3623166.04
PI(18:0_20:5)	540872.20	467077.92	2946954.72	637183.24	452521.68	1581716.59	383145.45	550922.13	505680.92	967396.93	647992.13	582598.00
PI(18:0_18:3)	23563.62	9086.17	200222.17	45056.89	37737.59	96569.93	4406.86	27367.11	62805.35	53524.32	37063.83	90236.88
PI(18:1_20:4)	63298.97	90563.92	251629.80	84976.50	41738.82	173355.78	7574.84	98227.23	96008.67	86569.71	154143.61	66073.93
Plasmanyl-PC(O-16:1/18:1)	7395401.69	24050627.07	26523888.87	10871438.27	5102329.49	15852797.95	4286624.05	8859324.71	11250920.01	8440238.85	9363655.58	12783563.22
Plasmanyl-PC(O-16:1/20:4)	8964199.27	21198008.59	28889837.85	10832191.37	6445541.10	14661521.32	6134796.35	13510411.96	9636009.05	13499145.83	10592548.90	7520049.81
Plasmanyl-PC(O-16:1/22:4)	1413411.73	4045274.93	3956463.92	2448707.49	1715437.96	3545677.63	1488188.63	2650067.43	1677001.57	1753259.91	1672104.79	1633576.46
Plasmanyl-PC(O-16:1/18:2)	726827.67	2614911.04	3294705.24	1366576.97	522390.47	1654009.95	388492.83	1274506.98	1389112.36	1164082.66	1056154.72	1102913.60
Plasmanyl-PC(O-16:1/20:3)	3400328.57	10716731.67	9404771.53	5198790.72	2620825.39	5991206.70	2357423.48	3921456.41	3139829.73	3999741.43	3533350.08	3685553.09
Plasmanyl-PS(O-18:0/17:0)	669399.84	2368804.25	3681559.62	1407414.35	576386.74	1290833.93	530470.94	1053460.86	980599.85	561694.00	1281393.97	1020431.45
Plasmanyl-PC(O-16:1/22:6)	560797.27	2413391.19	1054761.06	622161.12	338736.14	1157398.11	171966.86	999062.66	1424834.69	675993.03	1511048.25	548255.18
Plasmanyl-PC(O-16:1/20:5)	358023.54	2259483.98	837878.35	420080.59	174238.15	523802.70	100288.36	545150.39	781645.16	561698.21	1183353.34	227849.03
Plasmanyl-PC(O-18:1/18:1)	457558.28	1258687.83	1536075.49	543685.12	323020.42	1044632.89	241691.02	485631.52	495418.88	416065.77	411851.54	720186.80
Plasmanyl-PC(O-16:1/16:1)	287994.78	1103663.30	1410168.78	625564.99	237159.59	703495.67	171504.13	372875.79	419157.90	238345.72	459828.20	416548.62
Plasmanyl-PC(O-16:1/18:3)	366918.31	742318.69	1067657.65	427065.73	218646.84	770181.15	157868.85	331309.28	417803.49	412260.87	313057.01	376092.20
Plasmanyl-PC(O-16:0/16:0)	202988.07	806685.15	1377751.72	472649.39	140943.82	327844.12	225658.01	285959.81	275552.94	128355.95	290133.19	319429.67
Plasmanyl-PS(O-20:0/20:4)	88241.92	337506.40	590168.13	179579.31	35731.99	372961.06	102405.94	267515.38	182910.25	93542.91	261510.18	83183.24
Plasmanyl-PS(O-20:0/20:3)	153793.78	118707.54	373922.07	135775.97	46844.91	225227.79	45258.80	91001.54	38772.16	38211.17	125493.59	140779.48
Plasmenyl-PE(P-18:1/20:3)	8131222.94	15749227.62	18165148.58	8251622.36	6075868.53	15482665.40	5946498.14	8530588.90	6742815.90	6210652.29	4409266.85	8250500.64
Plasmenyl-PE(P-18:1/18:1)	2384252.57	11107656.40	10889958.04	4477792.54	2230343.51	7846642.28	871447.60	4057899.22	3513188.59	2886564.69	3905523.04	3196371.62
Plasmenyl-PE(P-18:0/18:1)	2105275.18	7779279.22	8135219.41	2906110.26	1451739.97	6487629.52	655910.19	3115486.10	2548020.86	2061549.92	2559681.08	2580362.68
Plasmenyl-PC(P-18:1/20:4)	2318394.59	8551093.26	7924477.98	2929825.62	1686628.28	3639294.06	1599018.85	3601645.21	3493452.19	3314993.64	3923635.38	1711753.57
Plasmenyl-PC(P-18:0/16:0)	1264836.70	4878223.63	5183978.35	1952334.01	714064.39	2463197.50	994415.87	1726479.64	1887351.45	1360536.47	1470509.61	2967734.10
Plasmenyl-PE(P-18:1/22:6)	593539.02	3962077.13	1591014.63	1047141.45	472710.21	2327808.61	87978.88	1315248.76	1766166.10	760465.59	2223704.11	562679.13
Plasmenyl-PE(P-18:1/22:5)	477557.84	3791070.54	1632836.53	964274.83	242524.59	1196862.36	83650.64	902317.40	1036763.20	606546.72	1546331.19	303088.12
Plasmenyl-PE(P-18:1/20:5)	297951.35	2617077.02	831351.76	508491.74	174728.47	604270.72	38514.97	562688.96	845322.21	438746.91	1182694.66	160357.23
Plasmenyl-PS(P-18:0/20:4)	697850.96	965560.79	826135.36	477507.03	332347.34	784115.42	836377.17	668189.93	1305344.68	789386.39	544047.20	962788.78
Plasmenyl-PS(P-16:1/22:5)	490055.23	1570042.42	2122116.34	817697.58	367331.80	1161564.37	174365.23	800397.32	653561.59	643793.88	812403.54	343993.37
Plasmenyl-PE(P-16:0/16:0)	435536.95	1599762.85	1900603.61	1067923.09	350857.81	697023.07	224820.03	668643.99	491957.81	251191.64	468713.08	431800.61
Plasmenyl-PS(P-16:0/20:3)	248980.40	1196350.00	1442384.52	548336.37	196816.64	731580.42	94402.80	419080.48	387552.87	263930.60	491268.67	288756.92
Plasmenyl-PE(P-16:0/18:3)	207823.30	746833.86	1039624.57	425263.14	217036.52	668428.68	45068.57	213197.68	294489.32	297055.56	316374.62	281025.21
Plasmenyl-PE(P-16:0/22:1)	344533.37	290761.45	517461.03	187898.08	244877.85	859463.77	59169.94	368623.83	131788.77	209239.54	49637.35	366839.90
Plasmenyl-PE(P-16:0/17:1)	111494.82	546821.97	783492.67	299324.93	92190.03	394579.98	17219.23	244632.72	202598.29	66864.23	357003.09	163458.12
Plasmenyl-PS(P-16:0/22:5)	113182.91	661115.93	540043.28	293225.54	112212.25	360501.15	15274.15	170064.01	140300.82	159372.92	214517.88	141852.11
Plasmenyl-PE(P-18:0/22:5)	734892.93	4111143.44	2530086.56	1087365.91	327520.34	1827444.25	142784.57	1195624.10	1163841.05	745267.25	1719224.16	448990.56
Plasmenyl-PS(P-18:1/20:4)	84320.00	204444.79	193053.07	64008.93	32486.19	113345.13	127169.81	110141.82	313723.76	123335.49	163093.73	160480.42
Plasmenyl-PS(P-16:0/22:3)	72415.37	348210.72	363750.49	119149.16	60798.43	276878.04	9877.48	123348.68	92173.92	82747.55	108072.59	100537.63
Plasmenyl-PS(P-16:0/22:4)	60379.34	376907.68	345471.01	142431.65	36401.24	224489.53	6589.98	109569.03	123526.44	70542.90	126934.76	86465.72
Plasmenyl-PS(P-20:0/20:4)	29059.75	118922.12	188199.52	54797.26	13548.56	59473.60	14205.97	60283.47	68136.83	53530.40	70327.69	25154.84
Plasmenyl-PS(P-16:1/22:6)	2386.73	89654.51	24139.10	9107.37	0.00	2243.50	0.00	7855.33	34333.83	1659.79	58350.42	0.00
PS(14:0_14:0)	3294808.43	2624563.78	4652695.95	3906887.23	2139724.43	2826666.99	2031871.40	2759960.43	3108325.97	3135635.84	3789727.81	3747335.33
PS(18:1_18:1)	319248.09	352821.99	1354171.51	439971.60	290913.57	633101.62	128773.07	275178.41	270483.17	357666.43	486559.02	420822.46
SM(d14:0/18:1)	147506.37	544845.97	563617.27	242246.54	80881.83	489272.01	117079.59	208321.15	156430.64	133644.50	233991.54	221577.09
SM(d18:1/16:0)	8820602.93	28301301.90	32087968.54	10577078.67	5726633.94	27096423.87	6595646.55	11277294.17	8257933.67	9067378.03	13562776.15	9711122.93
SM(d18:1/18:1)	1428344.57	2546517.36	3542672.39	1351327.25	780773.62	2934160.89	824900.89	1570185.74	1453430.34	1270828.17	1687907.08	1612698.32
SM(d18:1/16:1)	284489.20	667402.79	764493.43	320582.11	170838.51	909798.65	170578.08	367880.08	280007.62	253779.33	455278.04	326942.99
Cer(d18:1/17:0)	64535387.87	77644799.15	62022139.47	58746523.70	28829668.34	56305047.07	52786031.87	56925739.71	68809899.09	52312397.22	61885659.07	59215524.97
Cer(d18:1/24:1)	841218.25	2208552.08	3221408.48	822121.26	358929.51	3766334.48	797020.25	1164399.18	742371.71	929428.76	794806.73	1049259.25
Cer(d18:1/16:0)	472486.80	1112107.88	2084183.85	472458.01	270305.72	2436416.39	373064.81	571859.90	363791.50	570016.35	586404.54	453385.92
Cer(d18:1/18:0)	489505.91	879451.23	1698048.66	434494.40	243056.69	1564942.98	585064.85	519836.71	446751.41	653506.50	605976.33	619797.26
LPE(16:0)	216628.35	934638.89	956164.30	261641.61	103518.65	1334288.51	127103.25	427797.06	201404.39	220173.23	177802.72	353640.90
LPE(18:0)	1376466.44	6802726.92	5062139.33	1404030.04	439112.56	6888029.14	667344.11	2535881.69	1531494.60	1198515.02	1159526.91	1934819.74
LPE(20:3)	79880.68	346927.71	583339.84	244600.56	79162.60	404427.45	87509.30	115365.91	115143.07	152126.02	120995.84	940981.20
LPE(20:4)	457153.26	1177229.28	2644541.49	863846.22	390304.32	1691102.22	478284.31	736235.76	582767.80	807220.93	545942.19	2290475.19
PA(22:3_22:3)	1128269.60	3102298.38	2582992.57	930501.18	394477.43	2095881.14	1127226.82	1431106.50	1611042.03	1082070.68	782195.03	1057183.62
PC(14:0_14:0)	0.00	33220.43	71516.35	9898.50	0.00	96110.41	1314.53	91380.62	1491.63	0.00	15271.03	1200.44
PC(16:0_18:1)	51385359.09	164073112.05	163556281.63	63265485.36	33037547.27	116668859.76	33790331.97	75162059.85	73165306.81	52484865.97	68512327.46	81992002.43
PC(16:0_16:1)	3283628.36	13230086.12	14170386.37	6455486.25	2459992.58	10560121.70	1837308.80	4893507.12	4478250.80	2419559.37	4988164.74	5164213.00
PC(16:1_16:1)	106340.92	402095.05	562208.68	243008.95	49887.20	442661.87	33754.56	143006.67	141777.94	28004.52	165887.04	187009.79
PC(18:3_18:3)	767893.68	1351129.87	1355832.55	800299.62	259253.44	1424132.45	863701.71	1047624.16	1300389.64	810360.64	383136.16	959719.99
PC(19:0_19:0)	23129510.91	18393551.05	24178861.50	10258598.63	13620623.18	22624594.13	20965815.92	23489521.15	18262841.00	12160240.11	3398102.16	20628418.50
PE(15:0_15:0)	20757744.75	31729051.70	26937626.61	23112568.57	11420976.22	21757264.83	8789057.28	23059751.79	22106133.53	18100510.63	24514655.17	17990956.65
PE(16:1_18:0)	2334394.06	9283289.48	13669538.30	4038242.27	2108841.97	7279781.36	1138607.25	4101383.80	2828027.95	2513446.26	3639619.25	2445180.63
PE(16:1_17:0)	36808.68	129058.07	185025.81	57178.69	21256.52	91628.00	29929.11	58779.11	49573.40	15700.90	63879.28	52856.95
PE(17:0_17:0)	44721081.38	33564863.16	42949969.20	18886354.31	28111490.54	40902326.38	41758329.97	41605533.32	35123899.52	23647363.14	6825716.31	38225331.25
PE(17:1_17:1)	9801.52	92761.21	138334.47	55999.53	17785.10	96015.88	8247.21	28564.39	22578.48	11675.06	78002.70	123534.53
PE(18:0_20:4)	12752024.75	42262902.76	46778300.08	16802932.53	8882726.73	32382477.04	5165557.70	24950894.32	14293787.83	14827169.62	13356510.30	11276614.42
PE(18:2_18:2)	1117200.05	3888079.49	6028370.78	1865080.23	884271.94	4083766.83	536319.13	2478069.73	1262579.27	1385152.23	1350641.95	1163443.44
PG(12:0_14:0)	232648.57	277229.30	238993.58	206535.96	102809.95	201647.29	177615.23	209959.48	258666.05	182478.32	244658.19	217775.98
PG(14:0_14:0)	38921662.25	44750146.41	40037080.83	35616517.49	18171308.60	35222201.31	30830839.35	34360138.68	43686255.05	32742923.08	37761109.62	36870557.21
PG(17:0_17:0)	47039252.36	37069552.09	40689422.88	19198030.22	38685004.21	42308038.62	45244460.54	39404046.77	42566040.14	24830106.91	7642938.14	39335504.12
PI(18:0_18:2)	1960103.67	2197275.95	10507702.43	2944448.57	2094985.06	3140415.17	775018.60	1269902.41	3106753.62	3844082.26	2366482.79	4362846.41
Plasmanyl-PC(O-16:0/20:3)	1526198.12	4995673.99	5693763.94	2372642.29	1299833.83	3029705.93	829018.64	1714597.53	1822176.85	1562905.20	1635100.36	2301831.52
Plasmanyl-PC(O-18:1/20:4)	575855.40	1418782.29	1896979.95	716695.29	400181.70	1034011.97	401739.97	801305.17	518958.69	821266.52	676483.91	484376.48
Plasmanyl-PC(O-16:0/22:4)	655440.88	655378.14	909315.91	456746.63	503509.67	1078238.07	409690.91	593850.92	256899.60	637111.48	236672.44	551963.17
Plasmanyl-PE(O-16:0/18:1)	238498.87	758290.56	694991.94	323203.15	169476.07	343432.82	166700.40	345216.23	238418.26	160358.00	197635.23	234443.32
Plasmanyl-PC(O-18:0/20:4)	216271.29	501392.26	517123.38	261862.06	91157.37	298223.01	61145.08	218215.71	142640.25	170298.62	157797.68	221978.32
Plasmenyl-PE(P-16:0/20:4)	13618002.89	44309878.20	61688835.81	23378138.38	10615903.44	33483391.89	5462069.38	22620791.42	17936562.09	17830036.97	22861843.74	11705043.40
Plasmenyl-PE(P-18:1/20:4)	9328548.79	38504960.62	38542824.42	16946690.24	7686773.80	23426389.17	3472241.56	16933489.14	13463611.19	12835383.88	16940073.39	7555828.66
Plasmenyl-PE(P-16:0/18:1)	6642838.59	29399175.63	36715519.31	13488733.23	5282216.16	17952250.84	2429289.39	10853994.66	9860463.98	6641304.56	12344701.61	8043857.57
Plasmenyl-PE(P-18:0/20:4)	6056243.11	21180122.57	26451392.49	9210563.65	4849225.46	17944802.73	2292338.39	9724369.95	7426526.91	8965300.81	8786750.87	5347572.78
Plasmenyl-PE(P-16:0/20:3)	4026625.22	18089591.78	17025600.12	8993140.01	3337663.81	11383693.91	1457981.99	5197763.41	4826093.98	4650267.48	6453184.32	4889202.83
Plasmenyl-PE(P-16:0/22:6)	1373329.70	7609463.24	3557878.84	2101551.49	939397.04	4419890.36	253259.27	2802106.08	3610347.12	1484945.30	5161856.78	1175715.06
Plasmenyl-PE(P-18:0/20:3)	1365201.42	6875014.91	6140790.94	2798865.34	1184853.04	4775540.10	477416.35	1890972.51	1550947.92	1860349.65	2035235.45	1500996.47
Plasmenyl-PE(P-16:0/22:5)	1241409.63	3867544.14	4988448.90	2503600.10	1030519.35	3080701.48	554153.15	2091058.82	1483037.74	1374382.96	1927537.38	1262338.76
Plasmenyl-LPE(P-16:0)	1075545.22	4689283.83	3940200.58	1303455.45	428602.06	5178257.06	817240.89	1694509.29	1595718.75	1038502.66	1478332.22	1314698.34
Plasmenyl-PE(P-16:0/22:3)	1700274.96	2535612.95	3778740.62	1530612.04	1257813.42	4259074.17	576316.38	1874843.12	860360.91	1623887.09	730356.96	1337742.18
Plasmenyl-PE(P-16:0/20:5)	444463.95	4083280.60	1384817.69	784450.84	253841.61	930348.73	57838.63	745763.67	1391767.95	611206.58	2167742.75	309820.00
Plasmenyl-PE(P-18:0/22:6)	509555.11	2774970.49	1229461.27	753826.63	324565.21	1967022.10	66087.98	939474.65	1234796.64	673874.09	1721458.68	429677.83
Plasmenyl-LPC(P-16:0)	745158.80	2047115.34	1500944.03	443615.35	289386.35	1822356.47	938400.26	980240.89	786664.92	653460.40	818429.37	940165.52
Plasmenyl-LPE(P-18:1)	444929.81	2153695.79	1470121.25	497996.25	201575.42	2312492.17	331506.40	728827.95	628594.80	436694.65	529319.87	505020.79
Plasmenyl-PE(P-16:0/16:1)	228006.27	1241770.85	1684715.09	801259.88	208122.66	618764.35	79206.16	386841.83	415737.89	155873.65	614941.17	249885.00
Plasmenyl-PE(P-18:1/17:0)	154938.71	725821.44	1044692.28	316387.60	109938.95	718211.38	28616.91	369235.06	276558.63	139968.51	419854.50	279746.51
Plasmenyl-PC(P-18:1/16:1)	286195.10	774839.82	791277.58	429256.93	157240.67	562562.29	69469.65	221193.81	483364.71	296738.17	278104.45	594681.31
Plasmenyl-LPE(P-18:0)	235833.85	1223446.43	947154.43	242035.17	81145.45	1398819.35	152444.34	369706.91	333343.01	252187.60	286962.62	286201.35
Plasmenyl-LPC(P-18:1)	69823.20	261947.39	231961.62	62041.37	45341.16	211735.43	110696.76	122400.97	84196.65	69503.82	99950.86	85096.74
PS(17:0_17:0)	15320078.09	6596823.48	11683975.27	7113207.88	11956217.94	11616738.69	19644534.70	13369581.25	10918400.62	8738985.88	2008841.65	15171418.02
PS(18:0_18:1)	2252396.94	3451705.92	11715643.03	3783722.94	2492835.56	5460053.17	1408281.12	2308665.62	1916702.73	3422422.44	4327383.54	2935151.84
SM(d20:1/16:0)	7202092.66	16513279.13	22407150.51	7752282.82	4633011.43	14969992.09	5295577.02	9129640.44	7251654.88	8333660.37	10775838.67	9536943.29
SM(d20:1/18:0)	1895243.96	5908397.95	7571575.61	3234750.72	1228419.62	2309376.86	1312759.15	2963437.81	2245303.20	1635316.96	3193360.81	2378295.86
SM(d22:0/20:3)	713306.75	2367296.18	1816932.30	780581.01	343849.90	1719578.25	478376.13	774467.22	648421.97	628976.63	825532.56	781667.78
SM(24:1)	30222186.26	38172712.38	32853587.13	28203655.14	13761682.40	29521245.62	23136167.93	28739565.99	32262661.24	25388255.38	30598546.80	28933106.87
SM(33:1)	119183.38	428578.33	488739.21	162502.77	81054.84	523658.57	94691.83	178280.03	164887.68	141453.87	251645.26	210137.81
SM(34:0)	399911.55	1299977.69	1617573.63	468818.99	227090.62	849343.71	307934.78	561853.67	295519.56	347241.46	559167.59	357796.02
SM(38:2)	512862.57	1201481.05	1484103.50	830847.58	287186.10	525059.84	288768.08	673678.32	576470.48	321794.66	747107.98	531676.91
SM(40:1)	2586755.10	9983893.57	11493467.39	4068383.05	1914337.38	5192950.23	1937614.56	4245629.03	3170776.59	2675585.68	4490026.28	4057697.73
SM(40:2)	639909.32	2091579.74	2158047.10	876055.72	350110.61	1190384.53	318846.42	819420.67	609199.68	526135.06	927187.00	804895.91
SM(41:1)	282920.97	953131.68	1336954.15	377779.20	181743.60	816690.41	181018.91	491309.38	321940.15	277970.03	646780.99	470776.82
SM(41:2)	197752.73	671831.49	755759.21	208243.44	134953.43	712705.65	114599.71	316266.02	221220.36	132291.20	428151.95	344878.97
SM(42:1)	1571289.56	5192720.79	7219356.68	2393788.77	1306058.46	4454144.45	1061466.43	2403786.85	1611771.24	1538923.45	2642924.62	2129984.02
SM(42:2)	5327375.20	18301352.88	16579789.24	6574443.55	3546069.60	14179366.88	3991141.50	7431270.70	5100814.40	4956083.18	7530110.86	7279538.28
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	Adduct
Cer(d18:1/24:0)	12.05190351	694.6345393	[M+HCO2]-
CL(16:1_18:1_18:1_18:1)	14.8886588	1427.992777	[M-H]-
CL(16:1_18:1_18:1_18:2)	14.56025741	1425.977531	[M-H]-
CL(16:1_18:1_18:1_20:1)	15.22033083	727.5084586	[M-2H]2-
CL(16:1_18:1_18:2_18:2)	14.19103102	711.478063	[M-2H]2-
CL(18:0_18:0_18:1_20:2)	8.583197083	742.5377053	[M-2H]2-
CL(18:1_18:1_18:1_18:2)	14.93794074	1454.008486	[M-H]-
CL(18:1_18:1_18:1_18:1)	15.21500833	1456.023355	[M-H]-
CL(18:1_18:1_18:2_18:2)	14.62679213	1451.991728	[M-H]-
CL(18:1_18:1_18:1_20:3)	15.00140602	1480.023173	[M-H]-
CL(18:1_18:1_18:2_18:3)	14.27012639	724.4856543	[M-2H]2-
LPC(16:0)	1.33521	540.3293255	[M+HCO2]-
LPC(17:0)	1.77852375	554.3450994	[M+HCO2]-
LPC(18:0)	2.413598333	568.3609341	[M+HCO2]-
LPC(18:1)	1.334796491	566.3452655	[M+HCO2]-
LPC(19:0)	3.2512025	582.3764963	[M+HCO2]-
LPE(18:1)	1.487383796	478.2928579	[M-H]-
PC(14:0_16:0)	7.715882407	750.5291287	[M+HCO2]-
PC(16:0_20:4)	7.792480093	826.5584078	[M+HCO2]-
PC(16:0_18:2)	7.894135833	802.5583626	[M+HCO2]-
PC(16:0_20:3)	8.257806944	828.5739372	[M+HCO2]-
PC(16:0_17:1)	8.080197222	790.560431	[M+HCO2]-
PC(16:0_22:6)	7.622649074	850.5588037	[M+HCO2]-
PC(16:0_18:3)	7.601655093	800.5436132	[M+HCO2]-
PC(16:0_20:5)	7.383998611	824.5426582	[M+HCO2]-
PC(16:0_22:3)	8.73967963	856.6054874	[M+HCO2]-
PC(17:0_17:0)	9.0540975	806.5906162	[M+HCO2]-
PC(17:0_18:1)	8.727904167	818.5897062	[M+HCO2]-
PC(17:1_18:1)	8.124913889	816.5743984	[M+HCO2]-
PC(18:0_18:1)	9.096483333	832.6060956	[M+HCO2]-
PC(18:0_20:4)	8.416164352	854.5894071	[M+HCO2]-
PC(18:0_20:3)	8.937164815	856.6056055	[M+HCO2]-
PC(18:0_22:5)	8.423952315	880.6055536	[M+HCO2]-
PC(18:0_22:6)	8.227543056	878.5895426	[M+HCO2]-
PC(18:0_22:4)	8.90387037	882.6217428	[M+HCO2]-
PC(18:1_18:1)	8.433290417	830.5898539	[M+HCO2]-
PC(18:1_18:2)	7.937320833	828.5740373	[M+HCO2]-
PC(18:1_20:4)	7.818817593	852.5737136	[M+HCO2]-
PC(18:1_20:3)	8.272875926	854.5894671	[M+HCO2]-
PC(18:1_20:1)	9.10325787	858.620818	[M+HCO2]-
PC(18:1_20:5)	7.410331481	850.5591307	[M+HCO2]-
PC(18:1_22:6)	7.657213426	876.5740585	[M+HCO2]-
PC(18:1_22:5)	7.849998611	878.5892224	[M+HCO2]-
PE(16:0_20:3)	8.408184259	740.5221147	[M-H]-
PE(16:0_22:6)	7.745225	762.5057606	[M-H]-
PE(16:1_18:1)	7.97765787	714.5062618	[M-H]-
PE(17:0_18:1)	8.90558964	730.5378304	[M-H]-
PE(17:0_20:4)	8.20659537	752.5208149	[M-H]-
PE(17:1_18:1)	8.285046581	728.5225519	[M-H]-
PE(18:0_18:1)	9.273194907	744.5534795	[M-H]-
PE(18:0_22:6)	8.369093056	790.537518	[M-H]-
PE(18:0_22:5)	8.576623611	792.5506751	[M-H]-
PE(18:0_20:5)	8.095176852	764.5211438	[M-H]-
PE(18:0_22:4)	9.068466667	794.5691472	[M-H]-
PE(18:0_22:3)	9.64617037	796.5852182	[M-H]-
PE(18:0_20:3)	9.099755556	768.5533436	[M-H]-
PE(18:0_20:2)	9.470115741	770.5695507	[M-H]-
PE(18:1_20:4)	7.961831481	764.5208667	[M-H]-
PE(18:1_18:2)	8.076492593	740.5221274	[M-H]-
PE(18:1_20:1)	9.292354167	770.5693953	[M-H]-
PE(18:1_22:6)	7.785856019	788.5208543	[M-H]-
PE(18:2_20:4)	7.545372222	762.5044979	[M-H]-
PG(16:0_18:1)	7.9950625	747.5162099	[M-H]-
PG(18:0_18:1)	8.634041667	775.5472437	[M-H]-
PG(18:1_18:1)	7.660913889	773.5324449	[M-H]-
PI(16:0_18:1)	7.879147222	835.5318444	[M-H]-
PI(16:0_20:3)	7.774568981	859.5319574	[M-H]-
PI(16:0_20:4)	7.3344875	857.5171381	[M-H]-
PI(18:0_20:4)	7.92440787	885.547617	[M-H]-
PI(18:0_20:3)	8.379287037	887.5635728	[M-H]-
PI(18:0_18:1)	8.506797685	863.5633758	[M-H]-
PI(18:0_20:5)	7.379846296	883.5321625	[M-H]-
PI(18:0_18:3)	7.639312963	859.5320402	[M-H]-
PI(18:1_20:4)	7.51689537	883.532063	[M-H]-
Plasmanyl-PC(O-16:1/18:1)	8.701305556	788.5794889	[M+HCO2]-
Plasmanyl-PC(O-16:1/20:4)	8.039402778	810.5635474	[M+HCO2]-
Plasmanyl-PC(O-16:1/22:4)	8.542775463	838.5947379	[M+HCO2]-
Plasmanyl-PC(O-16:1/18:2)	8.169023611	786.5638778	[M+HCO2]-
Plasmanyl-PC(O-16:1/20:3)	8.533828241	812.5788721	[M+HCO2]-
Plasmanyl-PS(O-18:0/17:0)	8.671041204	762.5641589	[M-H]-
Plasmanyl-PC(O-16:1/22:6)	7.852426389	834.5631175	[M+HCO2]-
Plasmanyl-PC(O-16:1/20:5)	7.622310185	808.5482035	[M+HCO2]-
Plasmanyl-PC(O-18:1/18:1)	9.428348611	816.6114076	[M+HCO2]-
Plasmanyl-PC(O-16:1/16:1)	8.047562281	760.5491488	[M+HCO2]-
Plasmanyl-PC(O-16:1/18:3)	7.892152778	784.5480096	[M+HCO2]-
Plasmanyl-PC(O-16:0/16:0)	8.77087963	764.5798466	[M+HCO2]-
Plasmanyl-PS(O-20:0/20:4)	8.264334259	824.5795877	[M-H]-
Plasmanyl-PS(O-20:0/20:3)	8.729139815	826.5946486	[M-H]-
Plasmenyl-PE(P-18:1/20:3)	8.659602083	750.5415897	[M-H]-
Plasmenyl-PE(P-18:1/18:1)	8.9680775	726.5430648	[M-H]-
Plasmenyl-PE(P-18:0/18:1)	9.642056944	728.5593015	[M-H]-
Plasmenyl-PC(P-18:1/20:4)	8.068256019	836.5788035	[M+HCO2]-
Plasmenyl-PC(P-18:0/16:0)	8.80654213	790.5951044	[M+HCO2]-
Plasmenyl-PE(P-18:1/22:6)	8.049316667	772.5271415	[M-H]-
Plasmenyl-PE(P-18:1/22:5)	8.254900463	774.5425602	[M-H]-
Plasmenyl-PE(P-18:1/20:5)	7.814328241	746.511174	[M-H]-
Plasmenyl-PS(P-18:0/20:4)	8.038138426	794.5326071	[M-H]-
Plasmenyl-PS(P-16:1/22:5)	8.205376126	790.5004143	[M-H]-
Plasmenyl-PE(P-16:0/16:0)	8.862561842	674.5127958	[M-H]-
Plasmenyl-PS(P-16:0/20:3)	8.898435648	768.5152303	[M-H]-
Plasmenyl-PE(P-16:0/18:3)	8.056900463	696.4960279	[M-H]-
Plasmenyl-PE(P-16:0/22:1)	10.50723287	756.5902982	[M-H]-
Plasmenyl-PE(P-16:0/17:1)	8.542398611	686.5112162	[M-H]-
Plasmenyl-PS(P-16:0/22:5)	8.726193056	792.5150752	[M-H]-
Plasmenyl-PE(P-18:0/22:5)	8.887768056	776.5587791	[M-H]-
Plasmenyl-PS(P-18:1/20:4)	7.51867037	792.5167246	[M-H]-
Plasmenyl-PS(P-16:0/22:3)	9.646356481	796.5468241	[M-H]-
Plasmenyl-PS(P-16:0/22:4)	8.935302315	794.5307788	[M-H]-
Plasmenyl-PS(P-20:0/20:4)	7.769693333	822.5643073	[M-H]-
Plasmenyl-PS(P-16:1/22:6)	7.770534409	788.483781	[M-H]-
PS(14:0_14:0)	6.546577083	678.4339324	[M-H]-
PS(18:1_18:1)	7.995210648	786.5279629	[M-H]-
SM(d14:0/18:1)	6.95894213	719.5325416	[M+HCO2]-
SM(d18:1/16:0)	7.68036713	747.5644263	[M+HCO2]-
SM(d18:1/18:1)	7.759845833	773.5796976	[M+HCO2]-
SM(d18:1/16:1)	7.066293519	745.5490635	[M+HCO2]-
Cer(d18:1/17:0)	8.7047125	596.5249439	[M+HCO2]-
Cer(d18:1/24:1)	10.74430093	692.6192201	[M+HCO2]-
Cer(d18:1/16:0)	8.346195833	582.5086959	[M+HCO2]-
Cer(d18:1/18:0)	9.075358333	610.5401433	[M+HCO2]-
LPE(16:0)	1.383999537	452.2772949	[M-H]-
LPE(18:0)	2.501681944	480.3084168	[M-H]-
LPE(20:3)	1.319728704	502.292931	[M-H]-
LPE(20:4)	0.93566713	500.2773746	[M-H]-
PA(22:3_22:3)	8.744766667	803.5624244	[M-H]-
PC(14:0_14:0)	7.053158065	722.4967562	[M+HCO2]-
PC(16:0_18:1)	8.395725417	804.5741527	[M+HCO2]-
PC(16:0_16:1)	7.80208114	776.5440503	[M+HCO2]-
PC(16:1_16:1)	7.300930952	774.5288238	[M+HCO2]-
PC(18:3_18:3)	7.609737963	822.5270501	[M+HCO2]-
PC(19:0_19:0)	10.7188225	862.6530374	[M+HCO2]-
PE(15:0_15:0)	7.848209583	662.4753443	[M-H]-
PE(16:1_18:0)	8.550053333	716.5219071	[M-H]-
PE(16:1_17:0)	8.234426577	702.5067742	[M-H]-
PE(17:0_17:0)	9.24294875	718.5381819	[M-H]-
PE(17:1_17:1)	8.255391667	714.5065144	[M-H]-
PE(18:0_20:4)	8.566337917	766.5380308	[M-H]-
PE(18:2_18:2)	7.925629167	738.5063585	[M-H]-
PG(12:0_14:0)	5.920215417	637.4080513	[M-H]-
PG(14:0_14:0)	6.702461667	665.4380838	[M-H]-
PG(17:0_17:0)	8.600070833	749.5322472	[M-H]-
PI(18:0_18:2)	7.923150463	861.5476598	[M-H]-
Plasmanyl-PC(O-16:0/20:3)	8.735302315	814.5949773	[M+HCO2]-
Plasmanyl-PC(O-18:1/20:4)	8.675541667	838.595174	[M+HCO2]-
Plasmanyl-PC(O-16:0/22:4)	9.046156944	840.6106458	[M+HCO2]-
Plasmanyl-PE(O-16:0/18:1)	9.623715833	702.5458277	[M-H]-
Plasmanyl-PC(O-18:0/20:4)	9.240105093	840.6106907	[M+HCO2]-
Plasmenyl-PE(P-16:0/20:4)	8.204695833	722.511709	[M-H]-
Plasmenyl-PE(P-18:1/20:4)	8.234998611	748.526997	[M-H]-
Plasmenyl-PE(P-16:0/18:1)	8.93670125	700.5278199	[M-H]-
Plasmenyl-PE(P-18:0/20:4)	8.877422083	750.5421781	[M-H]-
Plasmenyl-PE(P-16:0/20:3)	8.720759722	724.5273578	[M-H]-
Plasmenyl-PE(P-16:0/22:6)	8.006355556	746.5114119	[M-H]-
Plasmenyl-PE(P-18:0/20:3)	9.455649537	752.5587667	[M-H]-
Plasmenyl-PE(P-16:0/22:5)	8.426275926	748.526954	[M-H]-
Plasmenyl-LPE(P-16:0)	1.667423148	436.2820953	[M-H]-
Plasmenyl-PE(P-16:0/22:3)	9.252397685	752.5586705	[M-H]-
Plasmenyl-PE(P-16:0/20:5)	7.768896296	720.4964916	[M-H]-
Plasmenyl-PE(P-18:0/22:6)	8.666166204	774.5422895	[M-H]-
Plasmenyl-LPC(P-16:0)	1.581626852	524.3342295	[M+HCO2]-
Plasmenyl-LPE(P-18:1)	1.846240278	462.2978792	[M-H]-
Plasmenyl-PE(P-16:0/16:1)	8.21390463	672.4958152	[M-H]-
Plasmenyl-PE(P-18:1/17:0)	9.258137037	714.5435196	[M-H]-
Plasmenyl-PC(P-18:1/16:1)	8.374417593	786.564037	[M+HCO2]-
Plasmenyl-LPE(P-18:0)	3.058538426	464.3133527	[M-H]-
Plasmenyl-LPC(P-18:1)	1.753625463	550.3505676	[M+HCO2]-
PS(17:0_17:0)	8.528461667	762.5278591	[M-H]-
PS(18:0_18:1)	8.572911574	788.5434833	[M-H]-
SM(d20:1/16:0)	8.362119444	775.5956052	[M+HCO2]-
SM(d20:1/18:0)	9.096985648	803.6270008	[M+HCO2]-
SM(d22:0/20:3)	9.104355093	855.6586342	[M+HCO2]-
SM(24:1)	1.865589167	607.4081834	[M+HCO2]-
SM(33:1)	7.334356944	733.5491763	[M+HCO2]-
SM(34:0)	7.933092593	749.5789821	[M+HCO2]-
SM(38:2)	8.432364352	801.6119546	[M+HCO2]-
SM(40:1)	9.888975463	831.6587696	[M+HCO2]-
SM(40:2)	9.148378704	829.6427906	[M+HCO2]-
SM(41:1)	10.33746759	845.6744361	[M+HCO2]-
SM(41:2)	9.421603241	843.6602703	[M+HCO2]-
SM(42:1)	10.83625093	859.690004	[M+HCO2]-
SM(42:2)	9.81180463	857.6740543	[M+HCO2]-
METABOLITES_END
#END