#METABOLOMICS WORKBENCH jwalejko_20180910_135540 DATATRACK_ID:1497 STUDY_ID:ST001061 ANALYSIS_ID:AN001732 PROJECT_ID:PR000711
VERSION             	1
CREATED_ON             	September 21, 2018, 2:33 pm
#PROJECT
PR:PROJECT_TITLE                 	Multi-omics Approach Reveals Metabolic Changes in the Heart at Birth
PR:PROJECT_SUMMARY               	During late gestation, the fetal heart primarily relies on glucose and lactate
PR:PROJECT_SUMMARY               	to support rapid growth and development. While numerous studies describe changes
PR:PROJECT_SUMMARY               	in heart metabolism a few weeks after birth to preferentially utilize fatty
PR:PROJECT_SUMMARY               	acids, little is known about metabolic changes of the heart within the first day
PR:PROJECT_SUMMARY               	following birth. Therefore, we used the ovine model of pregnancy to investigate
PR:PROJECT_SUMMARY               	metabolic differences between the near-term fetal and the newborn heart. Samples
PR:PROJECT_SUMMARY               	were collected for metabolomic, lipidomic, and transcriptomic approaches from
PR:PROJECT_SUMMARY               	the left and right ventricles and intraventricular septum in 7 fetuses at
PR:PROJECT_SUMMARY               	gestational day 142 and 7 newborn lambs on the day of birth. We observed greater
PR:PROJECT_SUMMARY               	abundance of metabolites involved in butanoate and propanoate metabolism, and
PR:PROJECT_SUMMARY               	glycolysis in the term fetal heart (FDR-corrected p<0.10) and differential
PR:PROJECT_SUMMARY               	expression in these pathways were confirmed with single-sample gene set
PR:PROJECT_SUMMARY               	enrichment analysis (ssGSEA) (FDR-corrected p<0.05). Immediately following
PR:PROJECT_SUMMARY               	birth, newborn hearts displayed enrichment in purine, fatty acid, and
PR:PROJECT_SUMMARY               	glycerophospholipid metabolic pathways, as well as oxidative phosphorylation
PR:PROJECT_SUMMARY               	with significant alterations in both lipids and metabolites to support
PR:PROJECT_SUMMARY               	transcriptomic findings. While other studies suggest a switch from carbohydrate
PR:PROJECT_SUMMARY               	metabolism to fatty acid metabolism in the neonatal heart in as early as 2 weeks
PR:PROJECT_SUMMARY               	following birth, our data show that this metabolic switch in the heart begins by
PR:PROJECT_SUMMARY               	the first day of postnatal life. A better understanding of metabolic alterations
PR:PROJECT_SUMMARY               	that occur in the heart following birth may improve treatment of neonates at
PR:PROJECT_SUMMARY               	risk for heart failure.
PR:INSTITUTE                     	University of Florida
PR:DEPARTMENT                    	Pharmacodynamics
PR:LAST_NAME                     	Keller-Wood
PR:FIRST_NAME                    	Maureen
PR:ADDRESS                       	1345 SW Archer Rd, PO 100487, Gainesville, FL, 32610
PR:EMAIL                         	kellerwd@cop.ufl.edu
PR:PHONE                         	NA
#STUDY
ST:STUDY_TITLE                   	Lipidomics of Near-Term Fetal and Newborn Sheep Cardiac Tissue
ST:STUDY_TYPE                    	Comparison
ST:STUDY_SUMMARY                 	Cardiac tissue from near-term fetal and newborn sheep were compared via NMR
ST:STUDY_SUMMARY                 	metabolomic analysis
ST:INSTITUTE                     	University of Florida
ST:DEPARTMENT                    	Biochemistry & Molecular Biology
ST:LAST_NAME                     	Walejko
ST:FIRST_NAME                    	Jacquelyn
ST:ADDRESS                       	R3-226 Academic Research Building, Department of Biochemistry and Molecular
ST:ADDRESS                       	Biology, PO Box 100245, Gainesville, FL 32610-0245
ST:EMAIL                         	jwalejko@ufl.edu
ST:PHONE                         	na
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	14
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Ovis aries
SU:TAXONOMY_ID                   	9940
SU:AGE_OR_AGE_RANGE              	142 days gestation (fetal); Within 24 hours of birth (newborn)
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	1355A	1355A_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1355B	1355B_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1555	1555_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1237A	1237A_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1562	1562_RV	Age:Fetal | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1237B	1237B_RV	Age:Fetal | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	1477	1477_RV	Age:Newborn | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1462	1462_RV	Age:Newborn | Sex:Male	
SUBJECT_SAMPLE_FACTORS           	1481	1481_RV	Age:Fetal | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	5562A	5562A_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	1767A	1767A_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	5562C	5562C_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	1767B	1767B_RV	Age:Newborn | Sex:Female	
SUBJECT_SAMPLE_FACTORS           	5562B	5562B_RV	Age:Newborn | Sex:Male	
#COLLECTION
CO:COLLECTION_SUMMARY            	Ewes were assigned to one of two groups: (1) a fetal group (n=7, 3 singleton and
CO:COLLECTION_SUMMARY            	2 multiple gestation pregnancies); (2) a newborn group (n=7, 2 singleton and 2
CO:COLLECTION_SUMMARY            	multiple gestation pregnancies). Heart tissue was collected from the right
CO:COLLECTION_SUMMARY            	ventricle (RV), left ventricle (LV), and intraventricular septum (IVS) on the
CO:COLLECTION_SUMMARY            	day of birth (newborn group) or at gestational day 142 (fetal group) and
CO:COLLECTION_SUMMARY            	immediately frozen in liquid nitrogen. Samples were stored at -80 °C until data
CO:COLLECTION_SUMMARY            	collection.
CO:SAMPLE_TYPE                   	Cardiac tissue
CO:COLLECTION_METHOD             	Heart tissue was collected under sterile conditions and immediately frozen in
CO:COLLECTION_METHOD             	liquid nitrogen
CO:COLLECTION_LOCATION           	University of Florida
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	Cryovials
CO:STORAGE_VIALS                 	Cryovials
#TREATMENT
TR:TREATMENT_SUMMARY             	NA
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Homogenized right ventricle tissue samples (100 mg from 7 fetuses and 7
SP:SAMPLEPREP_SUMMARY            	newborns) were used for lipid extraction via the Folch method. Briefly, 2 mL of
SP:SAMPLEPREP_SUMMARY            	internal standard mixture was added to each sample before adding 1.2 mL of 2:1
SP:SAMPLEPREP_SUMMARY            	chloroform/methanol solution (HPLC-grade). Samples were incubated at 4 °C for
SP:SAMPLEPREP_SUMMARY            	20 min with occasional vortexing. Following incubation, 200 mL of water
SP:SAMPLEPREP_SUMMARY            	(HPLC-grade) was added and samples were incubated at 4 °C for 10 min. Samples
SP:SAMPLEPREP_SUMMARY            	were centrifuged at 2,000 g for 5 min at 4 °C, and the resulting chloroform
SP:SAMPLEPREP_SUMMARY            	layer was removed and transferred into a clean tube. The extraction process was
SP:SAMPLEPREP_SUMMARY            	repeated with 400 mL 2:1 chloroform/methanol (HPLC-grade) and the resulting
SP:SAMPLEPREP_SUMMARY            	chloroform layers were combined. Samples were dried under a nitrogen stream at
SP:SAMPLEPREP_SUMMARY            	30 °C and stored at -80 °C until reconstitution. Samples were reconstituted
SP:SAMPLEPREP_SUMMARY            	with 200 mL of isopropanol and 2 mL injection standard mixture. Ammonium acetate
SP:SAMPLEPREP_SUMMARY            	and all analytical grade solvents (formic acid, chloroform, and methanol) were
SP:SAMPLEPREP_SUMMARY            	purchased from Fisher Scientific (Waltham, MA, USA). All mobile phase solvents
SP:SAMPLEPREP_SUMMARY            	were Fisher Optima LC/MS-grade (acetonitrile, isopropanol, and water).
SP:PROCESSING_METHOD             	50 mg of tissue was weighed and added to tubes with three 3mm glass beads, two
SP:PROCESSING_METHOD             	5mm steal beads, and 0.7mm zirconia beads (“2 squirts”). HPLC-water (1mL)
SP:PROCESSING_METHOD             	was added to each tube before homogenization at 1800 rpm for 30 seconds for 5
SP:PROCESSING_METHOD             	rounds. Samples were incubated at 4C for 20 min between rounds. Following
SP:PROCESSING_METHOD             	homogenization, samples were centrifuged at 2,000g for 10 min at 4C to pellet
SP:PROCESSING_METHOD             	tissue debris before transferring supernatant to a clean tube. Homogenates were
SP:PROCESSING_METHOD             	stored at -80C.
SP:EXTRACTION_METHOD             	2 uL of internal standard mixture was added to each sample before adding 1.2 mL
SP:EXTRACTION_METHOD             	of 2:1 chloroform/methanol solution (HPLC-grade). Samples were incubated at 4
SP:EXTRACTION_METHOD             	°C for 20 min with occasional vortexing. Following incubation, 200 mL of water
SP:EXTRACTION_METHOD             	(HPLC-grade) was added and samples were incubated at 4 °C for 10 min. Samples
SP:EXTRACTION_METHOD             	were centrifuged at 2,000 g for 5 min at 4 °C, and the resulting chloroform
SP:EXTRACTION_METHOD             	layer was removed and transferred into a clean tube. The extraction process was
SP:EXTRACTION_METHOD             	repeated with 400 mL 2:1 chloroform/methanol (HPLC-grade) and the resulting
SP:EXTRACTION_METHOD             	chloroform layers were combined. Samples were dried under a nitrogen stream at
SP:EXTRACTION_METHOD             	30 °C (Organomation Associated MultiVap) and stored at -80 °C until
SP:EXTRACTION_METHOD             	reconstitution.
SP:SAMPLE_RESUSPENSION           	Samples were reconstituted with 200 mL of isopropanol and 2 mL injection
SP:SAMPLE_RESUSPENSION           	standard mixture and vortexed to mix. Fifty uL of reconstituted sample was
SP:SAMPLE_RESUSPENSION           	transferred to a glass LC vial for analysis.
SP:SAMPLE_SPIKING                	Internal standards: lysophosphatidylcholine (17:0), phosphatidylcholine
SP:SAMPLE_SPIKING                	(17:0/17:0), phosphatidylglycerol (14:0/14:0), phosphatidylethanolamine
SP:SAMPLE_SPIKING                	(15:0/15:0), phosphatidylserine (14:0/14:0), triglyceride (15:0/15:0/15:0).
SP:SAMPLE_SPIKING                	Injection Standards: lysophosphatidylcholine (19:0), phosphatidylcholine
SP:SAMPLE_SPIKING                	(19:0/19:0), phosphatidylglycerol (17:0/17:0), phosphatidylethanolamine
SP:SAMPLE_SPIKING                	(17:0/17:0), phosphatidylserine (17:0/17:0), triglyceride (17:0/17:0/17:0).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Normal phase
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (50 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	80% A and 20% B at 0 min; 80% A and 20% B at 1 min; 70% A and 30% B at 3 min;
CH:FLOW_GRADIENT                 	55% A and 45% B at 4 min; 40% A and 60% B at 6 min; 35% A and 65% B at 8 min;
CH:FLOW_GRADIENT                 	35% A and 65% B at 10 min; 10% A and 90% B at 15 min; 2% A and 98% B at 17 min;
CH:FLOW_GRADIENT                 	2% A and 98% B at 18 min; 80% A and 20% B at 19 min; 80% A and 20% B at 23 min
CH:FLOW_RATE                     	0.5mL/min
CH:COLUMN_TEMPERATURE            	4C
CH:SOLVENT_A                     	Acetonitrile:H2O (60:40) with 10mM ammonium formate and 0.1% formic acid
CH:SOLVENT_B                     	Isopropanol:acetonitrile:H2O (90:8:2) with 10mM ammonium formate and 0.1% formic
CH:SOLVENT_B                     	acid
CH:SAMPLE_INJECTION              	2 uL
CH:ANALYTICAL_TIME               	18 min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Timothy Garrett
AN:OPERATOR_NAME                 	Jeremy Koelmel
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:CAPILLARY_TEMPERATURE         	250C
MS:IONIZATION                    	Heated electrospray
MS:SPRAY_VOLTAGE                 	1500
MS:RESOLUTION_SETTING            	70,000
MS:SCAN_RANGE_MOVERZ             	200-2200 m/z
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Relative peak area
MS_METABOLITE_DATA_START
Samples	1355A_RV	1355B_RV	1555_RV	1237A_RV	1562_RV	1237B_RV	1477_RV	1462_RV	1481_RV	5562A_RV	1767A_RV	5562C_RV	1767B_RV	5562B_RV
Factors	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Male	Age:Fetal | Sex:Female	Age:Newborn | Sex:Male	Age:Newborn | Sex:Male	Age:Fetal | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Female	Age:Newborn | Sex:Male
Cer(d18:1/16:0)	791778.4421	784366.3334	839513.1825	501893.2402	545275.0276	395639.8233	798348.0698	996030.7641	630979.3075	347868.1323	700802.2555	595028.5729	241206.6596	713963.3909
Cer(d18:1/17:0)	60896189.92	44148266.88	46469969	40745927.01	60733668.39	69109043.78	62863872.16	16221713.06	43871390.14	69450767.63	60258609.56	48201460.33	14534805.51	45492627.56
Cer(d18:1/18:0)	934612.6535	758262.1685	783573.1454	511363.7787	528612.176	433515.5727	590002.1635	859036.5391	823343.1578	239523.7599	485977.9511	458114.4915	162646.4761	512791.7754
Cer(d18:1/24:0)	894275.7564	752320.3899	1032441.943	685767.8557	722209.3568	763899.7391	900729.6485	1155936.656	786560.8343	187793.6266	646301.9443	609089.9434	193002.8675	748280.1417
Cer(d18:1/24:1)	2001492.019	1554071.19	1667792.794	1160523.237	1305980.208	1008670.13	1815860.035	1844646.53	1294874.009	392582.2602	1193788.003	965841.1185	277886.4432	1229540.998
CL(16:1_18:1_18:1_18:1)	4706371.125	3228247.717	5531449.439	2944807.277	3386515.21	2610574.951	3024288.527	1680057.65	3070781.731	1739939.747	3470607.91	2126786.731	1171760.05	2908329.207
CL(16:1_18:1_18:1_18:2)	2881764.733	2582541.369	2137144.955	1430518.951	1506468.725	869650.5497	1893660.655	2725106.803	1842524.167	1130261.955	1745788.549	1772850.758	764372.1341	2259767.116
CL(16:1_18:1_18:1_20:1)	3053388.026	1837441.203	3352559.619	2641170.421	2191339.802	1703883.078	717709.0905	171665.6004	1971221.273	1532244.779	1881271.094	1278383.073	515214.3301	1541699.75
CL(16:1_18:1_18:2_18:2)	409624.4403	429914.8498	166442.3462	99630.11987	163196.1868	74166.98472	143704.2889	336625.9985	229275.4236	193723.8456	188137.3816	375104.726	42355.71792	349744.4405
CL(18:0_18:0_18:1_20:2)	12156613.66	11713955.13	17522063.35	7831812.442	11803506.15	10746812.62	12743126.52	11329017.77	10948731.76	4576542.29	15000770.45	6675335.671	4627951.492	6613200.469
CL(18:1_18:1_18:1_18:1)	4953156.06	2930036.585	5770238.809	4305812.788	3587237.122	2890779.191	2321397.469	693809.9549	3314659.922	2440280.621	3509252.019	2003006.403	1022874.603	2539892.82
CL(18:1_18:1_18:1_18:2)	7506234.429	5936114.476	5118017.437	4863772.909	4175630.539	2810813.327	4107213.507	4421618.189	4910354.089	4296384.621	4948001.269	4387878.537	1821504.482	4855003.464
CL(18:1_18:1_18:1_20:3)	681304.0835	565051.4717	553048.33	583510.2894	468667.261	375039.6331	365251.5978	395329.6315	430201.194	439209.1462	376533.2664	495368.6446	103883.1886	448304.4569
CL(18:1_18:1_18:2_18:2)	2993460.507	2899968.694	1389633.403	1653606.781	1332644.873	685925.741	1576693.589	3895131.514	1958128.08	1755239.696	1601895.442	2633609.107	802346.0709	2534346.502
CL(18:1_18:1_18:2_18:3)	365470.84	469599.5335	90249.66559	154481.3054	135834.5557	66801.20752	96983.33779	376515.3557	215465.8639	276798.3964	172576.7421	473149.6053	67944.269	402849.2532
LPC(16:0)	3873053.71	3655744.462	5247101.89	4067153.066	4138753.11	4078830.788	6138161.318	6521972.149	7062170.186	467597.8048	3354912.938	3551156.835	796432.963	3651216.233
LPC(17:0)	27210333.93	19635703.08	22178300.88	18213052.92	26744827.1	33877910.63	27898269.13	7490208.793	14879179.47	27504276.51	25708209.28	20951138.26	6088392.623	17316404.62
LPC(18:0)	887565.5266	779938.8466	1056709.055	776678.9494	729078.7235	916074.6237	835261.3012	975618.89	919790.7461	157364.5115	624521.2893	778186.385	177351.4283	888571.725
LPC(18:1)	2840673.035	2027740.018	3481990.169	3002424.41	2090836.536	4262110.501	5438704.805	1917068.249	4954690.967	412935.2298	5327359.042	1818327.982	607759.4671	1310738.631
LPC(19:0)	66610190.07	14371543.73	42537720	46114052.09	17571331.47	79246016	24474866.93	45153006.61	45817295.55	28779408.59	41981325.81	60636241.66	41088763.83	42972811.42
LPE(16:0)	419432.9467	402728.4756	570600.3511	389247.48	457318.1916	565115.5925	931701.0043	752250.815	625911.8968	47277.30022	586427.454	455125.7453	118989.1441	480316.5987
LPE(18:0)	2273305.83	1989806.496	2847322.628	2355531.182	2021109.922	2938582.942	2857250.282	3164281.451	2858260.24	252655.6696	2822111.817	2881202.374	866073.0073	2629389.284
LPE(18:1)	1582695.673	545558.148	2073156.293	572124.019	669132.3884	802523.6553	4380725.652	1100818.527	3138408.977	194345.7244	3398544.375	724582.5167	491981.6597	601538.2296
LPE(20:3)	458341.7971	319611.2889	379048.2732	293421.4303	260343.303	248235.8806	1099917.36	313937.9388	831246.7454	50157.6402	767802.0081	228579.6067	70920.52635	183716.7664
LPE(20:4)	1158323.431	1001761.402	1079546.529	1170273.232	939211.5878	780205.2836	2323384.78	1248303.885	2207178.771	230159.4235	1307641.31	1086846.127	295047.2761	701359.123
PA(22:3_22:3)	2885251.053	592001.6905	1265152.684	1636030.471	951146.2823	1277992.273	1707850.521	1660658.745	1485316.297	541580.6169	2048322.068	964149.5345	138985.1602	1356795.45
PC(14:0_14:0)	14409.56988	33085.09332	100748.3361	9817.13129	58560.10086	30843.00997	599227.5346	526160.6226	25526.03676	59644.76184	153338.0662	187301.1765	66815.00418	248859.6417
PC(14:0_16:0)	1112409.882	1568448.276	3099144.589	1122288.52	1748395.988	1717021.416	5061269.573	4786786.577	1215466.755	860150.172	2316350.209	2184603.985	884390.7512	2811733.841
PC(16:0_16:1)	9883180.143	10028801.66	19197864.51	7851011.061	10285807.67	9946021.915	12810865.86	8961803.214	9925186.122	2126078.622	7199243.467	4840830.16	2266105.445	5614843.103
PC(16:0_17:1)	3880940.409	3635980.25	5153476.333	2225157.307	2565948.329	2285326.184	2981766.972	2038764.869	3397059.221	499680.3909	2372530.587	904578.108	550849.8436	1195552.002
PC(16:0_18:1)	140562374.7	118098513.5	153121209.3	100043687.2	106914938.8	96910705.06	109428204.5	102682851.1	129280533.1	34328455.52	103186643.3	64703823.53	29162905.93	67996486.69
PC(16:0_18:2)	12290560.56	14276080.49	19394194.67	10148904.98	10971141.33	10289030.93	24729553.57	27341438.63	13235804.67	7060336.574	18386215.08	18250944.13	7146496.957	20656221.28
PC(16:0_18:3)	2266205.137	2181403.032	2353430.727	1128938.014	1113106.478	1080035.17	1754023.919	2423812.822	1824556.574	609970.1687	1568516.976	1495944.668	605641.0188	1342915.414
PC(16:0_20:3)	11248964.91	9477831.264	7712453.268	5472050.734	6431914.156	5319236.745	5357171.894	7699322.495	7585995.317	2982847.11	4281718.11	5653163.005	1823808.85	4619498.463
PC(16:0_20:4)	17847189.47	18210143.49	13084251.33	12064149.7	13075309.56	9192446.848	8000627.398	17538706.85	13799312.26	6475330.298	4611360.853	13333575	2815170.976	9563827.497
PC(16:0_20:5)	1356221.317	1195482.258	1136172.096	1647997.017	1266062.084	1422739.037	1178190.164	2614281.136	1086410.704	406523.6768	1068849.308	983693.0856	634880.7399	757298.1632
PC(16:0_22:3)	2049529.617	2159957.933	1403573.999	941943.0287	1549959.171	1342487.981	957915.8715	1097975.807	1408509.221	491060.0286	664742.8641	1047908.666	243207.141	1018433.836
PC(16:0_22:6)	2774660.994	2536490.739	1804669.292	2343151.607	2209149.069	1501036.988	1186108.608	3301020.649	1751836.156	606838.7532	968039.0075	1283405.428	709535.8194	818806.5509
PC(16:1_16:1)	321379.2453	340128.0432	727885.0604	148294.4895	236459.8901	298537.4276	646150.4944	649059.6464	328433.1992	69148.38875	307815.009	316948.9273	116482.8431	426271.1757
PC(17:0_17:0)	16037065.83	12138046.6	13061048.53	10574799.74	15482185.35	18451871.73	16061363.38	5000301.667	7329820.178	16909775.08	14835738.97	12654994.05	3926693.821	9924440.052
PC(17:0_18:1)	5294282.311	4415795.047	4531482.115	2551946.061	2762349.612	2232779.881	3151846.915	2823552.244	3714668.495	918642.4492	3199256.15	1658536.667	788340.9205	1698147.861
PC(17:1_18:1)	1920741.774	1636869.559	2086206.957	917021.9771	1077184.065	938257.0374	1655584.895	1458052.633	1327985.418	404955.477	1690486.503	779933.4639	402771.3574	937616.2107
PC(18:0_18:1)	31901757.08	24854661.28	34429464.45	22042196.86	22907132.07	25553266.21	19810025.62	15912896.83	19932173.85	9398227.401	22688362.07	14645717.33	5739435.655	16322593.1
PC(18:0_20:3)	3438302.366	2797626.976	2476815.46	1687789.385	2013153.745	1805762.344	1103541.893	1603207.233	1632170.305	1118501.182	1111550.507	1641192.052	534065.0356	1372496.045
PC(18:0_20:4)	5296620.48	5396350.618	4127956.234	3441451.605	4296041.004	3439305.932	1910535.702	3662299.152	2633645.162	2617693.417	1782748.794	4555438.675	884524.5025	3254079.256
PC(18:0_22:4)	546350.4122	561304.9603	454440.3981	234297.5829	396625.2928	352085.0306	98956.22951	232585.467	331357.3577	150653.3456	111858.3357	349037.9296	15776.67073	251788.1508
PC(18:0_22:5)	783937.0819	832659.2509	847823.9588	793023.5532	662110.5938	829611.513	388510.0998	700655.3184	612922.8072	368801.9078	482155.2647	573517.3356	201261.4472	406733.2492
PC(18:0_22:6)	732001.9379	662053.809	522280.2643	602145.6305	562247.9491	468706.1328	194565.6279	539974.6221	311990.2323	193074.6769	220921.2741	324406.7407	161817.5868	225569.9971
PC(18:1_18:1)	37263081.78	28656214.8	37564542.23	21109344.54	25215240.19	22787730.71	27885209.19	24226319.28	24773958.98	12338896.21	36802161.25	19595346.79	8672898.067	21268323.22
PC(18:1_18:2)	2882500.845	5595512.825	3151825.482	3908081.259	1564548.193	3479330.277	4624416.092	8892750.025	1793572.476	2978349.649	7450662.723	6451343.484	2525040.508	7265275.608
PC(18:1_20:1)	1498316.109	1306584.198	1721793.258	1126677.747	1236494.214	1385639.543	861721.75	612727.9015	986246.5973	420343.1841	1074793.127	739302.1478	237750.5284	726142.0955
PC(18:1_20:3)	3175792.151	2996773.282	2343685.952	1465187.669	1976647.921	1536993.703	1319214.863	1923600.141	2054645.424	901448.378	1264009.462	1676257.931	328463.2606	1305958.685
PC(18:1_20:4)	5924826.332	6254941.81	5569036.629	4363030.191	4392166.673	3981231.821	3481801.116	7226570.105	4903053.154	2386589.864	3432454.904	4137563.642	1435660.634	3517407.971
PC(18:1_20:5)	364413.6731	362461.5447	357488.2684	309256.6599	283872.3168	307809.4002	292124.3737	744616.7514	248936.5809	144388.2885	373278.5933	402891.6842	111900.2256	356573.6506
PC(18:1_22:5)	409480.5188	367376.1317	628951.5765	330117.0034	322140.4099	373271.1199	248862.7659	540034.0187	383433.3338	132374.651	372897.6306	273853.9762	99979.07681	159466.9975
PC(18:1_22:6)	698201.631	577621.876	524065.7355	405857.6696	502125.9758	351619.3014	208558.7212	556491.665	299191.3113	125139.2103	288976.967	257665.022	129835.0151	175041.214
PC(18:3_18:3)	2507491.796	719567.4894	1096836.716	846433.0591	590581.2367	531210.1842	691076.9156	1956960.072	1289019.37	369116.4745	1071093.591	1385661.19	101523.9114	1639210.078
PC(19:0_19:0)	29599190.23	4299226.889	15403195.31	17524953.2	6465344.011	35781617.39	9920030.174	18059267.93	13550368.63	12121781.3	17874151.64	20111846.03	14747993.46	18461758.34
PE(15:0_15:0)	20815925.27	18154546.76	19133527.49	13968929.27	24412811.39	28048017.77	23493720.16	6120042.62	9086027.495	25476229.99	21158401.61	17350078.11	7129814.196	12717205.21
PE(16:0_20:3)	1343257.285	1498940.087	1466948.369	524373.8967	894682.9983	773712.7828	853862.2547	900762.2075	873719.5109	309430.4349	954560.823	821979.3634	402342.1882	682772.4893
PE(16:0_22:6)	821701.7056	1008011.325	856923.7166	578497.8541	888839.9365	609289.3035	676079.2912	1277420.475	457085.4053	296041.0733	555352.8369	459967.4676	332977.3653	370399.1348
PE(16:1_17:0)	157997.8738	169001.6974	234975.9949	104774.9383	134982.7433	111469.3252	198870.8301	115246.1279	133353.6483	20550.84309	118831.3517	43377.90722	29085.74672	49022.35667
PE(16:1_18:0)	7084904.056	6959326.028	9845114.694	4570512.395	7125274.564	6499423.789	8937659.89	6898244.528	5504477.819	2197834.546	7135322.006	3591343.519	2162898.421	3708975.642
PE(16:1_18:1)	892834.9583	1012696.38	1800017.465	681629.7005	1044602.058	980808.7505	1739417.164	1707389.893	945847.3369	280643.6485	1257886.364	700194.0983	453416.2413	767059.009
PE(17:0_17:0)	54371900.3	8608703.296	28244119.7	35662634.8	12302961.71	62510430.75	18884943.14	35397013.65	25644926.15	24813183.2	33492359.85	38578921.29	29714560.2	35055276.85
PE(17:0_18:1)	995646.852	890602.9649	1133008.049	578950.7171	771615.78	678695.818	1005800.8	775216.3825	685292.3488	229832.8056	977766.5772	339354.1815	282338.2612	339586.3994
PE(17:0_20:4)	823013.9135	1011408.677	805555.4573	398941.4769	498534.3263	331530.028	452590.6464	686305.2724	618514.6372	139475.7371	321010.4722	346419.4605	115338.988	426959.2002
PE(17:1_17:1)	141844.2516	187310.5627	188528.8273	30019.91483	132723.9304	78526.90857	178455.6338	102231.0779	104024.247	28405.7317	135782.4847	50288.75737	13657.17909	80144.902
PE(17:1_18:1)	1057222.514	1017789.881	1085189.305	777832.475	803741.5718	564323.8169	878007.0809	736538.0891	945085.8104	171146.0758	690443.2678	297414.6972	98680.12471	393358.5641
PE(18:0_18:1)	18628159.95	13665722.77	21809991.67	14199258.7	15793176.45	18438227.87	17783630.81	14305331.88	11552116.45	6697220.97	17362005.24	9005235.883	6880716.301	7793433.506
PE(18:0_20:2)	867096.1362	790492.1646	1083079.186	529128.5637	419166.0069	783123.6846	408676.1967	464040.7789	460554.4969	243944.1892	778775.7823	446547.0424	271781.0362	394447.2554
PE(18:0_20:3)	8734460.806	9623103.567	11017930.34	4449874.173	6224223.634	5904212.763	4702507.966	5776317.678	6093011.208	2348061.979	6786962.473	5441815.87	2864121.425	4716023.829
PE(18:0_20:4)	24870782.13	30908506.93	28428842.38	15136768.1	19452852.44	14632628.67	13516981.01	23456477.35	16428571.47	11033039.18	17845263.03	26516163.04	8748379.471	18544571.51
PE(18:0_20:5)	1167861.308	1353634.082	1092767.094	891265.8334	1182176.17	1295620.044	808330.3936	1492062.589	773495.2691	508061.2924	1243980.721	1200092.028	658971.667	853319.0189
PE(18:0_22:3)	1190685.032	1170993.285	1149574.692	634017.0326	905681.8735	1107588.909	620665.9329	687540.971	671661.9126	394942.4019	843226.4061	633584.5866	315816.5522	528932.5281
PE(18:0_22:4)	1180464.04	1302151.349	1343730.787	742593.2925	1094724.044	1003836.09	586730.627	907920.3584	605685.6183	569043.6934	567339.8778	1023247.088	257089.9113	775575.3498
PE(18:0_22:5)	1331059.551	1324746.959	1656497.706	1484414.906	1495096.838	2182342.206	1241731.493	1729760.34	780645.1664	626744.5399	1621491.918	1157686.943	860481.6931	775968.954
PE(18:0_22:6)	3758406.178	3572556.3	2736411.904	3274047.381	3697693.105	3245399.785	2050678.744	4001967.336	1543590.813	1126761.073	2454189.055	2346093.281	2369264.991	1465204.951
PE(18:1_18:2)	897492.2127	909517.5221	1392450.67	740429.5282	819111.0844	735068.1826	1956270.655	2593034.361	957604.8641	596055.3541	2504881.784	1275872.904	952170.551	1435786.585
PE(18:1_20:1)	1340039.886	880534.266	1888716.265	970974.7053	860585.8598	747134.4023	374324.3373	878702.1145	571845.1673	459090.0466	1209139.784	744772.1188	439787.0796	677724.8859
PE(18:1_20:4)	5079354.635	5832497.785	6129683.778	2709539.305	4080707.157	3021196.245	2794268.169	5040421.295	3760743.188	2015376.818	3604306.465	4496330.697	1579210.927	3983511.532
PE(18:1_22:6)	894852.2547	1016189.549	857664.1673	678805.8205	859356.059	574512.2057	408730.0156	1040399.012	470321.4784	221721.2537	613429.7772	498354.8081	400273.1801	293053.8164
PE(18:2_18:2)	3079419.654	4182130.151	3578717.056	1524785.512	2697604.004	1879858.92	2085501.169	3540055.452	2210857.431	964239.2639	1894907.535	2712356.322	817123.3433	2261154.635
PE(18:2_20:4)	259189.4804	257072.4513	293004.6229	232676.9847	251491.1749	275675.5718	209608.3415	527119.7494	121196.8415	111152.1991	438822.6956	223746.2612	197183.0942	193522.1909
PG(12:0_14:0)	220674.8271	157865.2361	178446.6584	134152.79	226833.2566	263112.7811	233576.8278	55073.40932	151279.1161	265849.9786	222868.002	180014.4341	49454.28651	140073.5269
PG(14:0_14:0)	37609453.29	27853568.75	29925964.44	25928389.46	38478342.47	42464188.48	39233090.7	10173276.48	25608368.57	42913377.82	37885745.27	30277077.73	10105691.54	23982959.35
PG(16:0_18:1)	10931780.71	10717770.74	11067581.24	7352262.324	8923941.842	6063861.212	8145259.608	10567630.32	8712800.69	3023461.857	7099612.963	6347262.859	2950158.889	4928511.538
PG(17:0_17:0)	55275990.73	13387896.45	27938839.74	40796418.26	15296981.41	60359099.45	23425023.77	38576353.46	32324375.05	30544242.64	35375342.18	43093225.09	32565012.63	39915305.1
PG(18:0_18:1)	2994036.643	2821458.389	2985199.887	2158284.783	2163344.074	1587187.945	1841934.15	2919767.054	2369545.724	893097.9271	1604289.385	1798998.368	778222.3903	1369153.232
PG(18:1_18:1)	876456.7453	696769.1066	589826.0749	404055.4393	484148.7256	390110.0498	108331.6984	64153.83156	492865.7334	46920.02707	298058.8725	167386.9555	43802.60037	234055.3443
PI(16:0_18:1)	1481509.611	1593696.766	2961249.627	1602183.909	1669722.982	854471.2566	2120779.888	1811010.816	1496824.459	511647.8528	1054701.669	782438.8245	392646.6996	899798.4412
PI(16:0_20:3)	711863.7747	625076.959	985439.5439	571316.0546	612820.8158	295141.4483	699866.8015	772354.201	596963.4578	152833.2942	434717.8146	339398.3801	196438.0832	502326.0112
PI(16:0_20:4)	259652.7462	322316.4747	495935.5617	297441.5068	324139.1265	118452.7715	547748.6757	974451.4719	201664.4123	165851.2255	190346.7231	414014.5806	98614.25741	420266.9554
PI(18:0_18:1)	5048126.797	4239004.606	4978610.931	3446598.309	3412590.558	1405687.574	2400373.289	2894938.46	3692600.787	1661048.891	2843091.44	2177674.135	683956.0626	2217860.059
PI(18:0_18:2)	3579203.226	3051463.604	6103855.557	3050570.824	3298302.177	1608403.265	3324719.407	2566244.701	2744371.218	1256222.529	3037695.875	1791300.278	651904.4837	2257333.51
PI(18:0_18:3)	101279.6239	108528.1003	215944.4232	69283.47647	89519.80093	36804.3311	129369.4848	144196.6263	67277.50229	24863.57694	125347.7557	67582.71441	23925.69889	89256.79243
PI(18:0_20:3)	8134375.334	6275438.689	6162136.724	4974936.128	4469596.623	2044516.96	3567700.443	4926616.649	4549527.149	1796488.721	3329682.479	2781390.097	1195576.564	2882764.45
PI(18:0_20:4)	6718901.577	6714882.449	7072050.877	5251300.564	5348413.545	2159203.643	3348362.95	7254525.936	3828701.549	3154707.594	3239798.589	5360498.729	1313038.674	4829082.014
PI(18:0_20:5)	864768.5537	1138226.174	1194844.172	797790.5876	915357.9044	373128.7661	1032319.859	1796289.7	482907.402	542101.8331	602342.2241	937506.417	239227.0564	1007627.805
PI(18:1_20:4)	157509.0435	160503.592	241399.3945	164355.4363	171065.9064	124155.993	230610.5838	482811.6356	93849.90055	74703.19308	245143.0641	170733.2261	79366.45713	173552.885
Plasmanyl-PC(O-16:0/16:0)	541192.7041	601441.4695	1577501.059	574924.485	574272.6998	381921.2617	271919.8657	366180.4522	466854.0646	181428.2377	364453.4254	343731.19	69873.57433	436088.6115
Plasmanyl-PC(O-16:0/20:3)	4632439.399	4124536.841	3973182.33	2118622.592	2512607.186	2114006.926	1992663.319	2141711.193	2747104.938	826184.9406	2876318.587	1756900.872	746440.8289	1518654.408
Plasmanyl-PC(O-16:0/22:4)	1213202.15	1358423.701	650454.4195	509681.8915	708872.7507	597615.2111	392732.044	550765.0819	839323.2802	230581.5551	334771.7578	474731.9434	59770.09915	446844.8075
Plasmanyl-PC(O-16:1/16:1)	1138129.583	971812.9416	1739862.674	632690.5104	814172.7739	763750.1856	602739.3915	480902.5187	773064.9995	82888.52891	637787.3208	291123.1987	168019.913	393309.8945
Plasmanyl-PC(O-16:1/18:1)	27504745.39	22074007.19	26828905.59	13066719.57	15284203.1	14521312.28	13681538.56	11726333.46	18738824.26	3904912.513	16298696.13	7540237.326	4114044.71	8400571.807
Plasmanyl-PC(O-16:1/18:2)	2670275.45	2476900.165	2650101.401	1490316.543	1368458.611	1230050.051	1667439.308	2204564.122	1918111.335	590309.9005	1749466.497	1315951.675	655261.6456	1837546.149
Plasmanyl-PC(O-16:1/18:3)	876401.0127	911863.9662	944876.4937	414916.7632	452983.2894	344082.0253	415244.662	733050.4571	597024.5733	137201.1507	301328.3387	485152.1706	149847.9245	338657.6962
Plasmanyl-PC(O-16:1/20:3)	7250802.543	7227457.009	6092831.898	3801052.867	3938679.532	2876627.426	3120258.541	5853767.97	4980024.846	1970491.423	2594322.505	4030170.033	1568456.17	2848776.294
Plasmanyl-PC(O-16:1/20:4)	13756564.86	14793081.04	11527033.38	10264663.14	9315114.014	5707860.916	4983053.756	14106032.36	10416756.8	4844779.492	3460682.642	10304860.27	2532363.984	7392452.388
Plasmanyl-PC(O-16:1/20:5)	923945.7986	979717.0025	901495.5638	1406551.89	824774.7	855109.1876	711759.0356	1951618.416	758026.0892	306772.7757	744096.7225	698068.5609	530321.048	555518.5167
Plasmanyl-PC(O-16:1/22:4)	3078003.287	3229639.064	2267180.137	1734761.956	1913481.969	1221264.749	1093489.121	1480429.618	1921691.965	992967.6401	977848.7756	2116938.995	416366.5085	1073664.906
Plasmanyl-PC(O-16:1/22:6)	1918060.326	1797546.24	1312424.482	1896744.065	1379031.267	888890.6055	689488.0889	2606858.678	1253755.877	438816.3706	712118.6262	984348.6748	601097.8819	558879.1858
Plasmanyl-PC(O-18:0/20:4)	446414.7978	403239.2544	263855.5321	118231.2872	217870.5339	140472.4858	155429.9951	283054.1049	303253.7717	83305.47727	107793.5176	161436.1517	27910.86237	161582.2018
Plasmanyl-PC(O-18:1/18:1)	1568028.255	1347050.747	1259715.596	746275.9358	993241.1737	1042406.238	722745.0805	539077.4454	1014480.374	184078.3743	738482.6869	431618.1307	123081.915	492944.4555
Plasmanyl-PC(O-18:1/20:4)	851911.4747	837019.7143	552778.2059	518376.5453	511737.8885	332939.7385	303954.8006	739501.8851	578215.0957	294865.086	243341.292	624799.3776	119179.5733	296165.3784
Plasmanyl-PE(O-16:0/18:1)	491249.7093	434309.0326	559759.4695	483185.8862	331385.1895	398091.0893	306301.1206	256861.9151	287606.4036	147270.6414	249039.4365	343276.7233	152263.3858	315370.5707
Plasmanyl-PS(O-18:0/17:0)	1744952.013	1733622.8	2966559.57	1604945.392	1441153.405	1393054.1	826492.1176	958080.0601	1099975.572	387044.2419	1019737.137	867440.0108	308474.8021	842852.0162
Plasmanyl-PS(O-20:0/20:3)	328726.5841	361688.5765	174178.5922	43734.03651	156700.5075	80652.37645	95902.69743	207223.7302	164354.2787	29296.90238	97369.23175	128857.9176	9403.377306	106148.464
Plasmanyl-PS(O-20:0/20:4)	432470.7403	380417.9425	243778.992	238348.4395	87441.82222	126183.4166	114420.6715	464290.4272	229952.5288	63273.68636	57728.41061	216317.4685	39034.91975	143104.1075
Plasmenyl-LPC(P-16:0)	1057819.233	1108111.65	1535219.407	1197417.493	1003760.678	905360.9192	944058.787	1484485.024	1741050.724	122459.5045	554779.7738	858232.5969	192062.8201	881809.1757
Plasmenyl-LPC(P-18:1)	107212.8738	111662.8099	149668.843	111460.1289	103314.2339	100724.366	82243.73914	131791.2744	161301.2271	4329.570041	69028.05188	83070.42321	10886.16613	85735.32806
Plasmenyl-LPE(P-16:0)	1974753.584	2039984.75	3981627.864	2716812.486	2118850.23	2560038.903	2266222.213	3373562.737	3594750.771	231233.0148	1638068.157	1843879.885	714370.7372	2022078.176
Plasmenyl-LPE(P-18:0)	477796.1679	459428.062	675068.8971	467128.3205	332862.5197	395663.4439	448818.396	648781.8373	720000.9943	47970.27661	268323.44	372859.35	129452.9617	377373.0819
Plasmenyl-LPE(P-18:1)	804549.1424	857194.5594	1338937.717	954084.4729	814436.1905	868959.0375	828414.8021	1037214.029	1019117.9	54470.43336	611406.0713	614343.8562	251861.9712	676727.1167
Plasmenyl-PC(P-18:0/16:0)	4575766.587	3646809.513	5685829.13	2691075.633	2733963.135	1677002.825	2272724.92	2715206.742	3456610.544	903989.1433	2459210.837	2003206.132	510983.8793	2127888.395
Plasmenyl-PC(P-18:1/16:1)	1378137.276	1117764.666	1127896.171	337922.4205	522003.48	284034.099	406341.0705	489954.8352	600340.4607	174751.7435	510706.9032	268796.1191	190946.9774	412882.1822
Plasmenyl-PC(P-18:1/20:4)	3905799.112	4321295.105	3922327.356	3657055.214	2873608.499	2251795.6	2153308.995	5247984.988	3263308.116	1389925.065	2136355.827	3036246.344	1093762.109	2001142.675
Plasmenyl-PE(P-16:0/16:0)	1026147.888	1088354.281	2065402.385	1188977.468	858748.491	1120519.71	726256.9725	558634.9744	654904.9215	252219.5208	607419.7668	663385.1324	303535.2282	677192.7258
Plasmenyl-PE(P-16:0/16:1)	1017334.933	1095398.855	2580924.399	672983.4836	900480.8534	963218.7771	815930.0813	635363.0679	809462.8154	161829.9673	789208.2327	366560.2399	315743.8072	455823.0799
Plasmenyl-PE(P-16:0/17:1)	718806.9602	702227.3749	1169097.985	357887.9042	472747.1721	458329.2228	445106.7785	389432.3309	450915.6253	80254.62857	466670.7779	168974.0232	130409.3125	182386.4135
Plasmenyl-PE(P-16:0/18:1)	25755595.18	24702557.37	38038976.29	15848366.73	19356771.37	18119200.91	14452768.76	13701711.17	16992760.61	5023599.26	15251107.09	8696071.223	5820924.856	9281554.921
Plasmenyl-PE(P-16:0/18:3)	920404.2768	1079136.609	1662410.61	394676.7002	622281.4128	515079.2612	523674.548	660601.7071	683685.7224	184807.7651	410920.084	420913.3188	243879.2626	339572.9558
Plasmenyl-PE(P-16:0/20:3)	14324601.06	15332210.95	19751786.59	7779229.998	10225933.73	8438336.082	6940632.91	9861357.741	10785109.23	3542442.061	7137617.448	6572686.285	4008410.274	5904310.233
Plasmenyl-PE(P-16:0/20:4)	29359755.87	37453387.81	45285500.63	24405473.94	28768291.22	19312586.3	13386692.16	29743866.42	26479656.34	11218538.43	11309566.86	21624594.74	8073701.977	17420872.77
Plasmenyl-PE(P-16:0/20:5)	1762883.027	2206257.522	3380749.573	3153310.759	2485627.52	2764638.667	1726654.472	3396624.012	1743794.446	580999.9217	1895909.722	1120872.926	1414994.139	950856.5491
Plasmenyl-PE(P-16:0/22:1)	1056079.154	1211090.514	946417.5207	616440.2595	1276700.18	1525760.371	529317.2168	212678.89	470976.9898	135026.2071	477643.4888	448445.3929	6521.566342	417314.3688
Plasmenyl-PE(P-16:0/22:3)	4134210.793	5306122.464	4277473.663	1985022.876	3504153.518	2849057.921	1572549.589	1778363.898	2827982.329	982725.6785	1462417.362	1880237.47	325036.5257	1660778.09
Plasmenyl-PE(P-16:0/22:5)	2664776.743	3352003.234	3494989.765	2371227.083	2158725.245	1944170.21	1394663.564	2502542.657	2027692.437	1045510.289	1272553.18	2097835.917	914397.7401	1441306.113
Plasmenyl-PE(P-16:0/22:6)	5969702.676	6914304.011	8155258.283	6357937.986	6534328.602	4131791.553	2596536.043	8610365.791	4395586.392	1640034.523	2900946.229	3274811.521	2829475.144	2159123.574
Plasmenyl-PE(P-18:0/18:1)	8184596.265	7455081.64	8227434.858	4385330.954	6375147.204	6712811.961	4233884.795	3321292.453	4759319.741	1389516.421	3786062.745	2608455.116	1075217.235	2618392.536
Plasmenyl-PE(P-18:0/20:3)	5153374.202	4954737.223	5169946.775	2526873.614	2874893.814	2488990.413	2169236.083	3029793.472	3095742.516	1118421.921	1884245.604	2000553.611	1082000.351	1621763.256
Plasmenyl-PE(P-18:0/20:4)	13348202.34	14635130.3	14655380.72	9836780.288	9926596.209	7791829.243	5662989.297	10955208.36	10124622.24	4649031.055	4609716.011	8489758.643	3047991.398	6384449.548
Plasmenyl-PE(P-18:0/22:5)	1944407.135	2500835.637	3233501.135	2098060.903	1778916.32	1826777.362	1268302.298	2551024.101	1841116.572	710088.0447	1387647.453	1259372.46	765300.0381	920622.2943
Plasmenyl-PE(P-18:0/22:6)	1918839.675	2205379.996	2097184.927	1950195.67	1834817.13	1307990.203	861797.5875	2370238.094	1284917.826	544895.4808	798033.1941	936389.5581	773832.3868	644544.7244
Plasmenyl-PE(P-18:1/17:0)	1108596.23	1112182.863	1333922.577	557114.6361	699432.7263	585038.9305	558861.297	555077.7999	592556.6264	94422.16009	610261.3251	255459.5287	158489.1433	275618.4672
Plasmenyl-PE(P-18:1/18:1)	10502547.81	9270008.377	10925912.46	5443554.332	7042821.083	6259925.26	5094934.219	4751848.371	5532937.47	2184685.32	5729492.375	3354753.965	2041241.921	3265388.925
Plasmenyl-PE(P-18:1/20:3)	14277066.36	11581810.24	13665413.49	9783822.665	8295087.125	11450024.29	6175891.146	9125448.57	9296745.42	5629713.665	7722822.366	10016328.26	5530922.893	7553619.259
Plasmenyl-PE(P-18:1/20:4)	21757763.29	26253611.87	31882763.04	19270248.98	19775281.38	15438928.56	11730296.17	21965605.11	16665702.97	8345930.938	12157136.73	15315788.98	7190005.666	11754700.42
Plasmenyl-PE(P-18:1/20:5)	1114071.536	1339286.035	1642783.365	1757145.961	1341226.138	1470914.882	969208.6178	1408722.746	765312.1238	378847.8854	1107151.198	614891.0445	702166.9333	511781.4567
Plasmenyl-PE(P-18:1/22:5)	1792633.861	2032181.662	2957601.642	2087980.827	1672826.825	1833245.807	1191052.203	2161699.07	1461493.974	636666.2775	1636594.447	1080953.498	840064.8949	709418.9117
Plasmenyl-PE(P-18:1/22:6)	2991773.746	3302154.326	3123468.348	2874184.744	2855682.102	1840640.648	1158377.923	3200695.734	1547286.019	745304.3164	1364861.753	1419960.468	1156676.449	903899.3865
Plasmenyl-PS(P-16:0/20:3)	1034078.807	985432.5926	1552038.006	591847.912	770827.5132	729483.8882	570382.2504	545520.4766	668266.735	200191.1724	599189.5162	326640.2035	177223.8203	343722.5877
Plasmenyl-PS(P-16:0/22:3)	383393.3236	338076.232	345629.9719	197466.8645	277937.2291	304514.1607	172946.7778	148526.755	183114.0602	43444.94253	156199.1615	102060.9232	46738.20307	108908.8379
Plasmenyl-PS(P-16:0/22:4)	334445.5866	276122.1269	359602.9928	160872.275	211250.2951	178421.3979	151507.1001	139609.2939	170533.6049	58350.074	172817.3868	80396.61776	50820.08823	85665.58892
Plasmenyl-PS(P-16:0/22:5)	490535.38	538688.6214	693609.5322	244931.9185	339339.5024	278156.3215	208926.7778	309376.2021	377504.8244	108308.5571	234562.2006	206052.9588	124774.3942	198869.2161
Plasmenyl-PS(P-16:1/22:5)	1023308.149	1277586.839	1516113.951	864716.4086	989678.7036	700906.5453	450739.4868	1072139.172	916307.2954	391059.7888	381834.6975	757600.6197	291885.4062	570473.6303
Plasmenyl-PS(P-16:1/22:6)	32851.26731	44689.94632	78292.18906	74152.87602	50261.47686	62530.26626	35345.1667	85658.45357	34741.53178	3764.45857	42365.73426	14765.36993	34891.72415	11245.50228
Plasmenyl-PS(P-18:0/20:4)	1652076.195	1300314.2	897548.4043	948864.6586	790298.6259	464787.6526	702168.0342	1370414.402	1201559.871	389664.0116	661309.2219	925465.1634	34144.97576	973884.2553
Plasmenyl-PS(P-18:1/20:4)	360634.4401	253994.9816	287161.0046	252815.0756	163264.7664	90717.14045	225642.0838	421857.9687	295255.2793	76202.96342	149157.6527	140116.0956	3199.673855	202087.3558
Plasmenyl-PS(P-20:0/20:4)	74492.13932	126824.7646	63355.01691	70592.42408	44476.12389	35199.84688	37106.19917	133418.3453	90023.7996	12634.26453	24257.46199	65389.32375	10247.62621	38406.48616
PS(14:0_14:0)	3170974.602	2481278.046	3025623.468	2560038.173	3688728.074	3712787.368	3843088.669	1180044.044	1739093.906	4973937.418	3173731.714	2660612.371	1631415.025	2180918.425
PS(17:0_17:0)	15640148.72	2133641.349	8709940.002	12082588.83	3986537.004	18589838.77	5649359.503	14048732.05	7795752.376	9537396.099	10928256.5	13687948.52	10675171.39	15211850.97
PS(18:0_18:1)	4722870.551	4482753.227	7289899.721	5276264.18	5389284.142	3304971.303	3999042.75	5357553.848	3591183.179	2355492.786	3031507.55	2285830.078	1636747.175	3122539.856
PS(18:1_18:1)	723054.8046	850650.0874	1105357.598	597133.5954	697631.0148	374888.2398	752863.1759	1321217.169	550289.9322	441655.2572	738901.5058	488849.7437	357012.4284	897917.4129
SM(24:1)	30359139.33	22089464.87	24215018.76	21229650.47	30348067.85	35734412.11	31637670.44	8119481.892	18192667.32	32626621.91	29604475.21	23785650.25	6953930.142	19526091.3
SM(33:1)	579925.8485	664118.5057	721018.5744	302973.8057	428989.4847	261218.3798	316222.9251	407260.1423	433362.6114	110666.6608	331989.5971	186323.3016	60695.6761	239902.203
SM(34:0)	808086.862	916000.2836	1316003.963	695932.5189	815338.3494	510081.2734	610840.9814	767220.7376	608886.006	402845.6715	604984.316	575618.9462	188376.457	653341.1386
SM(38:2)	1220023.657	1198067.904	1650174.946	1182389.471	1283907.34	1584469.079	681125.1351	623035.5831	1140887.319	280315.4307	739685.9729	405693.7567	157386.6256	642930.2918
SM(40:1)	7490951.494	6574176.824	9070543.999	5830589.919	6461027.322	5346602.57	5101218.475	6305711.462	6879291.238	1747889.314	3936520.042	3485871.938	1081506.738	4388784.06
SM(40:2)	1821056.182	1556787.735	2385412.189	1634679.779	1811867.759	1678474.148	1107701.72	1142684.798	1431496.841	398670.4057	1139061.961	785287.5968	207424.9861	999777.9048
SM(41:1)	1205258.784	1084821.309	1293740.926	637927.853	858314.778	574191.6147	913848.1175	1110176.921	796425.2814	216969.7131	780816.9441	521515.0877	146075.3544	570175.8005
SM(41:2)	950571.7165	904460.1507	999024.5465	533039.3133	766001.597	446485.248	611084.462	722733.1268	564303.2616	133003.0395	622745.3359	283497.0408	158891.0444	313716.9771
SM(42:1)	4354479.906	4129724.27	6052545.433	3576904.871	3944503.079	3241053.322	3105424.611	3886596.498	3513715.201	1041812.636	2607774.196	2010725.509	638729.9973	2249271.608
SM(42:2)	14801685.12	14056528.22	16487101.77	11041418.31	12670961.54	8806068.072	9763056.795	11496916.23	10167065.87	3944563.754	8030975.46	6665517.527	2296435.607	6962346.661
SM(d14:0/18:1)	488649.5954	578909.5403	730265.5127	359079.3837	472487.5487	335468.3167	412521.2281	578798.0011	434929.6682	140519.5721	396672.591	273978.4113	80402.83645	355909.4592
SM(d18:1/16:0)	21501451.76	23895773.04	30778074.52	15409649.13	19825946.63	13611717.13	14050477.11	16903865.01	16679130.13	6762745.131	13945755.49	10725627.83	3737530.782	12817769.07
SM(d18:1/16:1)	896946.1247	909222.6825	1071707.898	677254.77	840380.7668	609867.3594	468024.4178	538819.1631	671935.2784	261498.0092	577495.7225	412593.2461	139918.5826	514884.8172
SM(d18:1/18:1)	4130092.158	3660554.343	4875756.097	3157397.413	2998139.644	2683278.641	1911489.241	2518943.134	3280844.532	838265.9828	1882754.719	1477609.183	565132.6973	1694192.905
SM(d20:1/16:0)	19181838.25	17686979.27	21861330.07	12794817.28	13925277.84	10382855.9	10904842.32	14985096.9	17659814.33	4459114.345	9097204.259	7394049.536	2985020.756	7929575.616
SM(d20:1/18:0)	4939917.567	4657204.466	5961864.736	3765959.859	4381031.923	4199556.822	3231274.813	3494815.998	5256361.026	1071169.982	2764142.461	1889853.35	687319.8227	2578937.46
SM(d22:0/20:3)	2107022.868	1978973.889	2347975.548	1698516.968	1985072.79	1474205.082	1175445.263	1335858.126	1319008.749	492513.0467	1267780.953	816525.2478	265342.8118	941882.7352
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	adduct
Cer(d18:1/16:0)	8.346195833	582.5086959	[M+HCO2]-
Cer(d18:1/17:0)	8.7047125	596.5249439	[M+HCO2]-
Cer(d18:1/18:0)	9.075358333	610.5401433	[M+HCO2]-
Cer(d18:1/24:0)	12.05190351	694.6345393	[M+HCO2]-
Cer(d18:1/24:1)	10.74430093	692.6192201	[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_18:1)	15.21500833	1456.023355	[M-H]-
CL(18:1_18:1_18:1_18:2)	14.93794074	1454.008486	[M-H]-
CL(18:1_18:1_18:1_20:3)	15.00140602	1480.023173	[M-H]-
CL(18:1_18:1_18:2_18:2)	14.62679213	1451.991728	[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(16:0)	1.383999537	452.2772949	[M-H]-
LPE(18:0)	2.501681944	480.3084168	[M-H]-
LPE(18:1)	1.487383796	478.2928579	[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(14:0_16:0)	7.715882407	750.5291287	[M+HCO2]-
PC(16:0_16:1)	7.80208114	776.5440503	[M+HCO2]-
PC(16:0_17:1)	8.080197222	790.560431	[M+HCO2]-
PC(16:0_18:1)	8.395725417	804.5741527	[M+HCO2]-
PC(16:0_18:2)	7.894135833	802.5583626	[M+HCO2]-
PC(16:0_18:3)	7.601655093	800.5436132	[M+HCO2]-
PC(16:0_20:3)	8.257806944	828.5739372	[M+HCO2]-
PC(16:0_20:4)	7.792480093	826.5584078	[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(16:0_22:6)	7.622649074	850.5588037	[M+HCO2]-
PC(16:1_16:1)	7.300930952	774.5288238	[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_20:3)	8.937164815	856.6056055	[M+HCO2]-
PC(18:0_20:4)	8.416164352	854.5894071	[M+HCO2]-
PC(18:0_22:4)	8.90387037	882.6217428	[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(18:1_18:1)	8.433290417	830.5898539	[M+HCO2]-
PC(18:1_18:2)	7.937320833	828.5740373	[M+HCO2]-
PC(18:1_20:1)	9.10325787	858.620818	[M+HCO2]-
PC(18:1_20:3)	8.272875926	854.5894671	[M+HCO2]-
PC(18:1_20:4)	7.818817593	852.5737136	[M+HCO2]-
PC(18:1_20:5)	7.410331481	850.5591307	[M+HCO2]-
PC(18:1_22:5)	7.849998611	878.5892224	[M+HCO2]-
PC(18:1_22:6)	7.657213426	876.5740585	[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(16:0_20:3)	8.408184259	740.5221147	[M-H]-
PE(16:0_22:6)	7.745225	762.5057606	[M-H]-
PE(16:1_17:0)	8.234426577	702.5067742	[M-H]-
PE(16:1_18:0)	8.550053333	716.5219071	[M-H]-
PE(16:1_18:1)	7.97765787	714.5062618	[M-H]-
PE(17:0_17:0)	9.24294875	718.5381819	[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_17:1)	8.255391667	714.5065144	[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_20:2)	9.470115741	770.5695507	[M-H]-
PE(18:0_20:3)	9.099755556	768.5533436	[M-H]-
PE(18:0_20:4)	8.566337917	766.5380308	[M-H]-
PE(18:0_20:5)	8.095176852	764.5211438	[M-H]-
PE(18:0_22:3)	9.64617037	796.5852182	[M-H]-
PE(18:0_22:4)	9.068466667	794.5691472	[M-H]-
PE(18:0_22:5)	8.576623611	792.5506751	[M-H]-
PE(18:0_22:6)	8.369093056	790.537518	[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_20:4)	7.961831481	764.5208667	[M-H]-
PE(18:1_22:6)	7.785856019	788.5208543	[M-H]-
PE(18:2_18:2)	7.925629167	738.5063585	[M-H]-
PE(18:2_20:4)	7.545372222	762.5044979	[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(16:0_18:1)	7.9950625	747.5162099	[M-H]-
PG(17:0_17:0)	8.600070833	749.5322472	[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_18:1)	8.506797685	863.5633758	[M-H]-
PI(18:0_18:2)	7.923150463	861.5476598	[M-H]-
PI(18:0_18:3)	7.639312963	859.5320402	[M-H]-
PI(18:0_20:3)	8.379287037	887.5635728	[M-H]-
PI(18:0_20:4)	7.92440787	885.547617	[M-H]-
PI(18:0_20:5)	7.379846296	883.5321625	[M-H]-
PI(18:1_20:4)	7.51689537	883.532063	[M-H]-
Plasmanyl-PC(O-16:0/16:0)	8.77087963	764.5798466	[M+HCO2]-
Plasmanyl-PC(O-16:0/20:3)	8.735302315	814.5949773	[M+HCO2]-
Plasmanyl-PC(O-16:0/22:4)	9.046156944	840.6106458	[M+HCO2]-
Plasmanyl-PC(O-16:1/16:1)	8.047562281	760.5491488	[M+HCO2]-
Plasmanyl-PC(O-16:1/18:1)	8.701305556	788.5794889	[M+HCO2]-
Plasmanyl-PC(O-16:1/18:2)	8.169023611	786.5638778	[M+HCO2]-
Plasmanyl-PC(O-16:1/18:3)	7.892152778	784.5480096	[M+HCO2]-
Plasmanyl-PC(O-16:1/20:3)	8.533828241	812.5788721	[M+HCO2]-
Plasmanyl-PC(O-16:1/20:4)	8.039402778	810.5635474	[M+HCO2]-
Plasmanyl-PC(O-16:1/20:5)	7.622310185	808.5482035	[M+HCO2]-
Plasmanyl-PC(O-16:1/22:4)	8.542775463	838.5947379	[M+HCO2]-
Plasmanyl-PC(O-16:1/22:6)	7.852426389	834.5631175	[M+HCO2]-
Plasmanyl-PC(O-18:0/20:4)	9.240105093	840.6106907	[M+HCO2]-
Plasmanyl-PC(O-18:1/18:1)	9.428348611	816.6114076	[M+HCO2]-
Plasmanyl-PC(O-18:1/20:4)	8.675541667	838.595174	[M+HCO2]-
Plasmanyl-PE(O-16:0/18:1)	9.623715833	702.5458277	[M-H]-
Plasmanyl-PS(O-18:0/17:0)	8.671041204	762.5641589	[M-H]-
Plasmanyl-PS(O-20:0/20:3)	8.729139815	826.5946486	[M-H]-
Plasmanyl-PS(O-20:0/20:4)	8.264334259	824.5795877	[M-H]-
Plasmenyl-LPC(P-16:0)	1.581626852	524.3342295	[M+HCO2]-
Plasmenyl-LPC(P-18:1)	1.753625463	550.3505676	[M+HCO2]-
Plasmenyl-LPE(P-16:0)	1.667423148	436.2820953	[M-H]-
Plasmenyl-LPE(P-18:0)	3.058538426	464.3133527	[M-H]-
Plasmenyl-LPE(P-18:1)	1.846240278	462.2978792	[M-H]-
Plasmenyl-PC(P-18:0/16:0)	8.80654213	790.5951044	[M+HCO2]-
Plasmenyl-PC(P-18:1/16:1)	8.374417593	786.564037	[M+HCO2]-
Plasmenyl-PC(P-18:1/20:4)	8.068256019	836.5788035	[M+HCO2]-
Plasmenyl-PE(P-16:0/16:0)	8.862561842	674.5127958	[M-H]-
Plasmenyl-PE(P-16:0/16:1)	8.21390463	672.4958152	[M-H]-
Plasmenyl-PE(P-16:0/17:1)	8.542398611	686.5112162	[M-H]-
Plasmenyl-PE(P-16:0/18:1)	8.93670125	700.5278199	[M-H]-
Plasmenyl-PE(P-16:0/18:3)	8.056900463	696.4960279	[M-H]-
Plasmenyl-PE(P-16:0/20:3)	8.720759722	724.5273578	[M-H]-
Plasmenyl-PE(P-16:0/20:4)	8.204695833	722.511709	[M-H]-
Plasmenyl-PE(P-16:0/20:5)	7.768896296	720.4964916	[M-H]-
Plasmenyl-PE(P-16:0/22:1)	10.50723287	756.5902982	[M-H]-
Plasmenyl-PE(P-16:0/22:3)	9.252397685	752.5586705	[M-H]-
Plasmenyl-PE(P-16:0/22:5)	8.426275926	748.526954	[M-H]-
Plasmenyl-PE(P-16:0/22:6)	8.006355556	746.5114119	[M-H]-
Plasmenyl-PE(P-18:0/18:1)	9.642056944	728.5593015	[M-H]-
Plasmenyl-PE(P-18:0/20:3)	9.455649537	752.5587667	[M-H]-
Plasmenyl-PE(P-18:0/20:4)	8.877422083	750.5421781	[M-H]-
Plasmenyl-PE(P-18:0/22:5)	8.887768056	776.5587791	[M-H]-
Plasmenyl-PE(P-18:0/22:6)	8.666166204	774.5422895	[M-H]-
Plasmenyl-PE(P-18:1/17:0)	9.258137037	714.5435196	[M-H]-
Plasmenyl-PE(P-18:1/18:1)	8.9680775	726.5430648	[M-H]-
Plasmenyl-PE(P-18:1/20:3)	8.659602083	750.5415897	[M-H]-
Plasmenyl-PE(P-18:1/20:4)	8.234998611	748.526997	[M-H]-
Plasmenyl-PE(P-18:1/20:5)	7.814328241	746.511174	[M-H]-
Plasmenyl-PE(P-18:1/22:5)	8.254900463	774.5425602	[M-H]-
Plasmenyl-PE(P-18:1/22:6)	8.049316667	772.5271415	[M-H]-
Plasmenyl-PS(P-16:0/20:3)	8.898435648	768.5152303	[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-16:0/22:5)	8.726193056	792.5150752	[M-H]-
Plasmenyl-PS(P-16:1/22:5)	8.205376126	790.5004143	[M-H]-
Plasmenyl-PS(P-16:1/22:6)	7.770534409	788.483781	[M-H]-
Plasmenyl-PS(P-18:0/20:4)	8.038138426	794.5326071	[M-H]-
Plasmenyl-PS(P-18:1/20:4)	7.51867037	792.5167246	[M-H]-
Plasmenyl-PS(P-20:0/20:4)	7.769693333	822.5643073	[M-H]-
PS(14:0_14:0)	6.546577083	678.4339324	[M-H]-
PS(17:0_17:0)	8.528461667	762.5278591	[M-H]-
PS(18:0_18:1)	8.572911574	788.5434833	[M-H]-
PS(18:1_18:1)	7.995210648	786.5279629	[M-H]-
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]-
SM(d14:0/18:1)	6.95894213	719.5325416	[M+HCO2]-
SM(d18:1/16:0)	7.68036713	747.5644263	[M+HCO2]-
SM(d18:1/16:1)	7.066293519	745.5490635	[M+HCO2]-
SM(d18:1/18:1)	7.759845833	773.5796976	[M+HCO2]-
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]-
METABOLITES_END
#END