#METABOLOMICS WORKBENCH boudreaulab_20240604_145401 DATATRACK_ID:4899 STUDY_ID:ST003247 ANALYSIS_ID:AN005319 PROJECT_ID:PR002016
VERSION             	1
CREATED_ON             	June 6, 2024, 8:24 am
#PROJECT
PR:PROJECT_TITLE                 	Effects of mitoregulin loss on cardiac and mitochondrial lipids in mice
PR:PROJECT_SUMMARY               	We and others discovered a highly-conserved mitochondrial transmembrane
PR:PROJECT_SUMMARY               	microprotein, named Mitoregulin (Mtln), that supports lipid metabolism. We
PR:PROJECT_SUMMARY               	reported that Mtln strongly binds cardiolipin (CL), increases mitochondrial
PR:PROJECT_SUMMARY               	respiration and Ca2+ retention capacities, and reduces reactive oxygen species
PR:PROJECT_SUMMARY               	(ROS). Here we extend our observation of Mtln-CL binding and examine Mtln
PR:PROJECT_SUMMARY               	influence on cristae structure and mitochondrial membrane integrity during
PR:PROJECT_SUMMARY               	stress. We demonstrate that mitochondria from constitutive- and inducible
PR:PROJECT_SUMMARY               	Mtln-knockout (KO) mice are susceptible to membrane freeze-damage and that this
PR:PROJECT_SUMMARY               	can be rescued by acute Mtln re-expression. In mitochondrial-simulated lipid
PR:PROJECT_SUMMARY               	monolayers, we show that synthetic Mtln decreases lipid packing and monolayer
PR:PROJECT_SUMMARY               	elasticity. Lipidomics revealed that Mtln-KO heart tissues show broad decreases
PR:PROJECT_SUMMARY               	in 22:6-containing lipids and increased cardiolipin damage/remodeling. Lastly,
PR:PROJECT_SUMMARY               	we demonstrate that Mtln-KO mice suffer worse myocardial ischemia-reperfusion
PR:PROJECT_SUMMARY               	injury, hinting at a translationally-relevant role for Mtln in cardioprotection.
PR:PROJECT_SUMMARY               	Our work supports a model in which Mtln binds cardiolipin and stabilizes
PR:PROJECT_SUMMARY               	mitochondrial membranes to broadly influence diverse mitochondrial functions,
PR:PROJECT_SUMMARY               	including lipid metabolism, while also protecting against stress.
PR:INSTITUTE                     	University of Iowa
PR:LAST_NAME                     	Boudreau
PR:FIRST_NAME                    	Ryan
PR:ADDRESS                       	4334 PBDB, 169 Newton Rd, Iowa City, IA 52242
PR:EMAIL                         	ryan-boudreau@uiowa.edu
PR:PHONE                         	3193535573
#STUDY
ST:STUDY_TITLE                   	Effects of mitoregulin loss in aged female mice
ST:STUDY_SUMMARY                 	Cardiac lipidome analysis in aged (21 to 23-months old) female wildtype and mtln
ST:STUDY_SUMMARY                 	knockout mice
ST:INSTITUTE                     	University of Iowa
ST:LAST_NAME                     	Boudreau
ST:FIRST_NAME                    	Ryan
ST:ADDRESS                       	4334 PBDB, 169 Newton Rd, Iowa City, IA 52242
ST:EMAIL                         	ryan-boudreau@uiowa.edu
ST:PHONE                         	3193535573
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1066-23	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_25_+_1066-23_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_118_-_1066-23_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1066-4	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_11_+_1066-4_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_125_-_1066-4_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1074-34	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_19_+_1074-34_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_115_-_1074-34_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1103-12	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_24_+_1103-12_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_112_-_1103-12_WT.mzML
SUBJECT_SAMPLE_FACTORS           	-	1133-1	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_14_+_1133-1_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_114_-_1133-1_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1143-2	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_15_+_1143-2_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_107_-_1143-2_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1143-3	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_13_+_1143-3_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_123_-_1143-3_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1145-2	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_26_+_1145-2_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_124_-_1145-2_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	1152-1	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_07_+_1152-1_KO.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_108_-_1152-1_KO.mzML
SUBJECT_SAMPLE_FACTORS           	-	WTF	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6530_20190815_18_+_WTF_WT.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6530_20190815_106_-_WTF_WT.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Mtln-KO and WT mice were fasted for 4-6 h, and while under deep
CO:COLLECTION_SUMMARY            	ketamine/xylazine anesthesia, the heart apex was snipped off and immediately
CO:COLLECTION_SUMMARY            	snap-frozen by LN2 immersion.
CO:SAMPLE_TYPE                   	Heart
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipid extraction. Lipid extraction, based on Matyash et al.72, was performed as
SP:SAMPLEPREP_SUMMARY            	follows. All solutions were pre-chilled on ice. Tissues or mitochondrial pellets
SP:SAMPLEPREP_SUMMARY            	were transferred to labeled bead-mill tubes (1.4 mm, MoBio Cat# 13113-50) where
SP:SAMPLEPREP_SUMMARY            	lipids were extracted in a solution of 250 µL PBS, 225 µL MeOH containing
SP:SAMPLEPREP_SUMMARY            	internal standards, and 750 µL MTBE (methyl tert-butyl ether). Internal
SP:SAMPLEPREP_SUMMARY            	standards were Avanti SPLASH LipidoMix (Lot#12) at 10 µL per sample and
SP:SAMPLEPREP_SUMMARY            	Cambridge Isotope laboratories NSK-B and NSK-B-G1 (deuterated carnitines) at 10
SP:SAMPLEPREP_SUMMARY            	µL per sample. The samples were homogenized in one 30 s cycle using the Omni
SP:SAMPLEPREP_SUMMARY            	Bead Ruptor followed by a rest on ice for 1 h. An addition of 188 µL PBS was
SP:SAMPLEPREP_SUMMARY            	made to induce phase separation. After centrifugation at 16,000 g for 5 minutes
SP:SAMPLEPREP_SUMMARY            	at 4 °C, the upper phases were collected and evaporated to dryness under a
SP:SAMPLEPREP_SUMMARY            	gentle nitrogen stream at room temperature. Lipid samples were reconstituted in
SP:SAMPLEPREP_SUMMARY            	500 µL IPA (isopropyl alcohol) and transferred to an LC-MS vial with insert
SP:SAMPLEPREP_SUMMARY            	(Agilent 5182-0554 and 5183-2086) for analysis. Concurrently, a process blank
SP:SAMPLEPREP_SUMMARY            	sample and pooled quality control (QC) sample was prepared by taking equal
SP:SAMPLEPREP_SUMMARY            	volumes (~50 µL) from each sample after final resuspension.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Negative Mode RP LCMS
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	40% water/60% acetonitrile; 10 mM ammonium formate
CH:SOLVENT_B                     	90% isopropanol/9% acetonitrile/1% water; 10 mM ammonium acetate
CH:FLOW_GRADIENT                 	Started at 15% mobile phase B then increased to 30% B over 2.4 min. It
CH:FLOW_GRADIENT                 	sequentially increased to 48% B from 2.4 – 3.0 min, 82% B from 3 – 13.2 min,
CH:FLOW_GRADIENT                 	and 99% B from 13.2 – 13.8 min where it’s held until 16.7 min and returned
CH:FLOW_GRADIENT                 	to the initial conditions and equilibrated for 5 min.
CH:FLOW_RATE                     	0.4 mL min
CH:COLUMN_TEMPERATURE            	65
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6530 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	For negative mode, the source gas temperature was set to 300 °C, with a drying
MS:MS_COMMENTS                   	gas flow of 11 L/minute, a nebulizer pressure of 30 psig, sheath gas temp of 350
MS:MS_COMMENTS                   	°C and sheath gas flow 11 L/minute. VCap voltage was set at 3500 V, nozzle
MS:MS_COMMENTS                   	voltage 75 V, fragmentor at 175 V, skimmer at 75 V and octopole RF peak at 750
MS:MS_COMMENTS                   	V. For data processing, Agilent MassHunter (MH) Workstation and software
MS:MS_COMMENTS                   	packages MH Qualitiative and MH Quantitative were used. The pooled QC (n=8) and
MS:MS_COMMENTS                   	process blank (n=4) were injected throughout the sample queue to ensure the
MS:MS_COMMENTS                   	reliability of acquired lipidomics data. For lipid annotation, accurate mass and
MS:MS_COMMENTS                   	MS/MS matching was used with the Agilent Lipid Annotator library. Results from
MS:MS_COMMENTS                   	the positive and negative ionization modes from Lipid Annotator were merged
MS:MS_COMMENTS                   	based on the class of lipid identified. Data exported from MH Quantitative was
MS:MS_COMMENTS                   	evaluated using Excel where initial lipid targets are parsed based on the
MS:MS_COMMENTS                   	following criteria. Only lipids with relative standard deviations (RSD) less
MS:MS_COMMENTS                   	than 30% in QC samples are used for data analysis. Additionally, only lipids
MS:MS_COMMENTS                   	with background AUC counts in process blanks that are less than 30% of QC are
MS:MS_COMMENTS                   	used for data analysis. The parsed excel data tables are normalized based on the
MS:MS_COMMENTS                   	ratio to class-specific internal standards, then to sum prior to statistical
MS:MS_COMMENTS                   	analysis.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol lipid per mg tissue
MS_METABOLITE_DATA_START
Samples	WTF	1066-23	1066-4	1074-34	1103-12	1133-1	1143-2	1143-3	1145-2	1152-1
Factors	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:WT | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue	Genotype:KO | Sample source:heart tissue
Cer 38:2;O2	52.521	47.762	64.422	47.815	74.934	31.443	34.143	83.781	54.748	59.428
Cer 40:2;O2	109.699	123.876	154.806	133.717	192.683	90.296	78.160	164.651	141.084	128.692
Cer 38:0;O2	4.846	6.209	4.727	4.388	8.152	148.330	3.283	7.078	19.775	4.456
Cer 38:1;O2	117.906	98.569	128.996	109.743	155.749	86.189	76.822	169.591	123.352	127.963
Cer 41:2;O2	59.384	79.982	72.732	72.800	80.463	56.083	45.980	75.858	82.351	53.751
Cer 42:1;O2	87.504	90.030	92.709	110.544	131.294	100.072	69.008	104.647	110.071	87.711
Cer 42:2;O2	155.278	124.797	161.302	151.016	260.249	130.331	127.141	189.581	238.715	178.978
Cer 18:1;O2/18:0	73.844	82.491	65.598	84.225	90.224	61.955	53.859	80.994	83.547	67.998
Cer 18:1;O2/22:0	223.442	230.738	268.556	274.679	360.987	226.194	182.989	322.554	251.418	275.033
Cer 18:1;O2/25:0	2.205	2.848	2.637	3.189	3.826	6.073	1.984	3.226	2.980	2.047
Cer 18:2;O2/24:1	50.747	46.749	55.894	45.176	85.209	36.104	34.288	58.953	75.867	53.249
Cer 39:1;O2	17.799	30.731	32.133	25.392	35.233	27.231	23.238	36.028	24.999	25.990
Cer 41:1;O2	68.634	86.282	75.371	84.705	88.558	80.370	58.622	82.464	86.717	64.279
PE O-16:1/18:1	21.284	23.924	28.085	21.105	21.142	25.691	28.998	28.469	30.655	22.614
PE O-16:1/18:2	35.336	33.352	32.436	26.222	23.899	37.275	43.636	37.080	36.873	32.052
PE O-16:1/20:4	230.303	249.254	236.358	237.632	218.396	226.208	224.396	245.618	243.289	227.076
PE O-16:1/22:4	19.290	22.235	23.004	27.504	27.419	19.979	22.875	25.039	23.788	20.723
PE O-16:1/22:5	303.264	364.813	353.301	339.105	308.599	300.535	341.618	423.305	404.332	316.926
PE O-16:1/22:6	2453.028	2787.867	2392.561	2475.255	2249.328	2227.698	2318.280	2627.475	2584.530	2320.192
PE O-18:1/18:1	13.361	8.971	13.852	9.295	15.708	11.229	12.159	13.532	15.989	13.578
PE O-18:1/18:2	90.859	59.958	72.488	51.889	71.367	81.676	96.670	82.294	84.782	77.607
PE O-18:1/20:4	261.763	214.036	265.384	210.259	242.377	232.985	265.116	264.858	267.755	229.726
PE O-18:1/22:4	15.556	15.605	16.678	17.443	22.630	14.269	18.133	19.037	17.911	15.467
PE O-18:1/22:5	169.275	136.254	166.471	133.138	161.704	131.231	154.489	194.250	186.542	175.841
PE O-18:1/22:6	2206.297	1812.605	2112.418	1746.749	1801.156	1844.980	1841.339	2025.651	2168.888	2168.418
PE O-18:2/18:2	9.935	12.293	12.428	10.045	9.989	12.111	14.926	14.810	12.581	10.374
PE O-18:2/22:6	1053.418	1404.278	1484.310	1266.698	1262.588	1102.272	1162.541	1522.919	1470.846	1158.137
PE O-18:3/22:6	992.770	1244.712	1309.550	954.681	1122.819	1173.405	986.493	1371.984	1382.529	1128.033
PE O-38:6	24.882	23.808	25.721	21.924	21.936	22.025	24.854	27.701	25.979	23.474
FA 18:2	10.614	17.676	9.667	11.111	5.016	12.669	14.225	10.718	30.676	6.266
HexCer 18:1;O2/22:0	8.053	5.031	6.029	7.214	6.824	6.352	5.564	6.557	8.669	8.622
HexCer 18:1;O2/24:0	14.052	11.077	10.915	16.024	11.622	10.883	10.740	11.467	14.316	14.129
LPE 18:0	9.047	7.718	7.809	10.352	9.051	6.406	8.193	6.387	6.701	8.148
PE 16:0_18:0	8.738	9.726	9.899	9.822	7.772	9.477	8.746	10.414	11.196	9.105
PE 16:0_18:1	21.658	22.287	28.502	25.059	21.599	25.612	27.853	30.600	35.440	22.650
PE 16:0_18:2	45.681	36.111	40.279	41.348	32.125	38.817	56.293	54.016	55.983	44.127
PE 16:0_20:4	126.468	112.295	119.391	126.692	108.564	94.689	112.066	138.449	122.817	104.042
PE 16:0_22:6	2087.650	1698.402	2105.164	2111.902	1300.006	1744.548	2148.439	2247.877	2246.947	2180.853
PE 16:1_22:6	71.002	72.375	59.634	73.104	53.735	62.809	64.099	62.477	88.126	65.611
PE 17:0_22:6	79.132	102.367	105.516	100.721	93.089	84.842	87.054	92.801	104.973	90.444
PE 18:0_18:1	51.208	45.645	67.808	66.467	56.851	61.437	60.234	61.184	73.109	50.577
PE 18:0_18:2	205.564	144.859	153.378	170.931	136.269	147.121	229.487	188.641	195.607	180.646
PE 18:0_20:2	7.785	6.554	7.565	6.828	7.997	6.143	6.873	8.340	7.613	8.574
PE 18:0_20:3	22.591	24.566	22.419	22.693	22.780	19.980	26.066	26.615	25.679	24.645
PE 18:0_20:4	1777.490	1610.325	1796.520	1872.128	1686.616	1398.976	1448.885	1690.435	1612.948	1600.276
PE 18:0_22:4	21.534	20.884	23.248	36.028	39.141	22.102	21.465	24.449	27.181	23.984
PE 18:0_22:5	236.852	186.168	197.111	252.417	246.959	170.868	180.115	177.662	221.815	191.312
PE 18:0_22:6	5626.069	5470.950	5029.935	5597.159	5379.934	4589.710	4908.227	5220.147	5449.926	5320.052
PE 18:1_18:2	36.463	30.518	40.199	35.884	32.166	32.079	53.758	52.366	62.638	36.843
PE 18:1_20:4	214.966	195.111	266.986	237.352	233.418	182.455	210.738	255.215	250.566	200.919
PE 18:1_22:6	1347.880	1164.211	1529.114	1566.818	1457.023	1248.476	1484.023	1571.846	1662.143	1341.532
PE 18:2_18:2	41.120	28.697	39.042	33.523	28.000	42.816	59.112	59.940	75.455	35.273
PE 18:2_20:4	41.103	36.922	45.151	35.510	29.134	35.705	42.987	46.709	39.951	31.604
PE 18:2_22:5	35.515	35.145	42.362	33.655	29.072	38.089	33.368	39.690	41.175	37.553
PE 18:2_22:6	593.229	572.910	574.532	565.072	464.198	540.364	572.323	597.064	543.322	498.844
PE 18:3_22:6	23.070	24.467	24.757	23.575	15.691	22.881	21.351	24.831	21.276	19.006
PE 19:0_20:4	12.652	16.220	20.425	12.479	15.111	14.784	12.697	16.725	16.286	14.822
PE 19:0_22:6	47.273	64.733	68.978	51.066	57.894	55.852	54.256	57.176	69.538	54.307
PE 20:0_22:6	17.774	12.315	16.105	14.522	17.687	11.641	12.781	16.070	18.455	16.446
PE 20:1_22:6	19.023	6.958	15.426	9.839	18.543	9.748	10.028	14.806	14.020	17.578
PE 20:2_22:6	10.088	12.442	10.920	11.459	15.382	8.611	8.536	10.706	10.714	10.604
PE 20:3_22:6	22.097	25.822	20.315	25.217	28.775	19.556	18.796	22.024	18.608	15.194
PE 20:4_22:6	13.034	13.426	11.789	14.882	12.136	12.227	10.321	11.275	8.524	6.588
PE 22:6_22:6	8.154	6.540	5.775	8.170	5.496	5.463	4.049	4.804	5.105	4.717
PE 38:5	65.977	54.719	59.013	56.458	56.549	50.118	54.117	65.576	67.615	59.741
PG 16:0_18:1	194.167	210.599	228.669	242.452	252.691	220.983	186.919	236.082	273.577	201.502
PG 16:0_18:2	29.676	23.993	30.112	28.868	24.918	34.342	34.523	35.614	37.849	26.024
PG 18:0_18:1	8.018	7.505	8.271	8.655	9.782	7.938	7.562	8.971	10.920	7.915
PG 18:0_22:6	4.217	4.606	5.108	4.516	2.683	3.967	4.201	4.466	7.766	5.237
PG 18:1_18:2	3.284	7.542	8.755	4.208	7.111	6.291	6.401	9.025	22.339	6.136
PG 18:1_22:6	3.867	3.598	4.078	3.341	3.723	3.988	2.780	3.016	3.915	3.339
PG 18:2_18:2	2.038	4.866	5.365	2.209	2.680	3.544	3.813	5.290	8.534	3.985
PG 18:2_20:4	0.760	1.513	1.282	0.924	1.062	1.300	0.968	1.140	1.582	0.950
PG 18:2_22:6	12.697	16.357	17.357	11.783	8.074	15.324	9.507	11.289	12.878	15.123
PG 20:4_22:6	13.346	14.737	11.503	15.225	10.016	14.957	6.433	7.181	9.912	9.989
PG 22:6_22:6	58.697	33.263	32.476	44.844	17.508	34.867	18.286	15.071	19.455	41.962
PG 38:7	1.817	2.222	2.224	1.872	1.142	2.072	1.672	1.572	2.794	2.072
PI 18:0_22:6	4.276	4.806	3.504	3.292	5.663	3.565	2.508	3.171	4.245	4.678
PS 18:0_22:6	74.384	75.577	60.043	50.638	92.423	78.799	54.593	60.182	55.542	100.309
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	m/z	Retention time
Cer 38:2;O2	C38H73NO3	636.5567	8.968
Cer 40:2;O2	C40H77NO3	664.5876	9.857
Cer 38:0;O2	C38H77NO3	640.5875	10.012
Cer 38:1;O2	C38H75NO3	638.5721	9.719
Cer 41:2;O2	C41H79NO3	678.6028	10.257
Cer 42:1;O2	C42H83NO3	694.6343	11.355
Cer 42:2;O2	C42H81NO3	692.6191	10.529
Cer 18:1;O2/18:0	C36H71NO3	566.5512	8.827
Cer 18:1;O2/22:0	C40H79NO3	666.6044	10.566
Cer 18:1;O2/25:0	C43H85NO3	664.6601	11.709
Cer 18:2;O2/24:1	C42H79NO3	646.6139	9.802
Cer 39:1;O2	C39H77NO3	652.5869	10.154
Cer 41:1;O2	C41H81NO3	680.6185	10.969
PE O-16:1/18:1	C39H76NO7P	700.5278	8.507
PE O-16:1/18:2	C39H74NO7P	698.5129	7.795
PE O-16:1/20:4	C41H74NO7P	722.5144	7.676
PE O-16:1/22:4	C43H78NO7P	750.5439	8.298
PE O-16:1/22:5	C43H76NO7P	748.5298	7.724
PE O-16:1/22:6	C43H74NO7P	746.5163	7.412
PE O-18:1/18:1	C41H80NO7P	728.5583	9.364
PE O-18:1/18:2	C41H78NO7P	726.5448	8.689
PE O-18:1/20:4	C43H78NO7P	750.5454	8.535
PE O-18:1/22:4	C45H82NO7P	778.5722	9.138
PE O-18:1/22:5	C45H80NO7P	776.5607	8.566
PE O-18:1/22:6	C45H78NO7P	774.5475	8.294
PE O-18:2/18:2	C41H76NO7P	724.5276	7.955
PE O-18:2/22:6	C45H76NO7P	772.5314	7.495
PE O-18:3/22:6	C45H74NO7P	770.5154	6.871
PE O-38:6	C43H76NO7P	748.5275	8.002
FA 18:2	C18H32O2	279.2327	4.039
HexCer 18:1;O2/22:0	C46H89NO8	828.6544	9.753
HexCer 18:1;O2/24:0	C48H93NO8	856.686	10.549
LPE 18:0	C23H48NO7P	480.3086	3.602
PE 16:0_18:0	C39H78NO8P	718.5378	8.823
PE 16:0_18:1	C39H76NO8P	716.5231	8.052
PE 16:0_18:2	C39H74NO8P	714.5077	7.381
PE 16:0_20:4	C41H74NO8P	738.509	7.251
PE 16:0_22:6	C43H74NO8P	762.5113	7.025
PE 16:1_22:6	C43H72NO8P	760.4925	6.27
PE 17:0_22:6	C44H76NO8P	778.5416	7.428
PE 18:0_18:1	C41H80NO8P	744.5542	8.911
PE 18:0_18:2	C41H78NO8P	742.5405	8.268
PE 18:0_20:2	C43H82NO8P	770.5675	9.01
PE 18:0_20:3	C43H80NO8P	768.5532	8.48
PE 18:0_20:4	C43H78NO8P	766.5425	8.13
PE 18:0_22:4	C45H82NO8P	794.5665	8.684
PE 18:0_22:5	C45H80NO8P	794.5739	8.128
PE 18:0_22:6	C45H78NO8P	790.5426	7.928
PE 18:1_18:2	C41H76NO8P	740.5231	7.477
PE 18:1_20:4	C43H76NO8P	764.5254	7.321
PE 18:1_22:6	C45H76NO8P	788.5264	7.114
PE 18:2_18:2	C41H74NO8P	738.5075	6.861
PE 18:2_20:4	C43H74NO8P	762.5069	6.691
PE 18:2_22:5	C45H76NO8P	788.524	6.735
PE 18:2_22:6	C45H74NO8P	786.5104	6.455
PE 18:3_22:6	C45H72NO8P	784.4911	5.923
PE 19:0_20:4	C44H80NO8P	780.5552	8.55
PE 19:0_22:6	C46H80NO8P	804.557	8.317
PE 20:0_22:6	C47H82NO8P	818.5715	8.72
PE 20:1_22:6	C47H80NO8P	816.5539	7.962
PE 20:2_22:6	C47H78NO8P	814.5379	7.244
PE 20:3_22:6	C47H76NO8P	812.5245	6.67
PE 20:4_22:6	C47H74NO8P	810.507	6.284
PE 22:6_22:6	C49H74NO8P	836.5331	6.084
PE 38:5	C43H76NO8P	764.5233	7.601
PG 16:0_18:1	C40H77O10P	747.521	7.128
PG 16:0_18:2	C40H75O10P	745.5031	6.538
PG 18:0_18:1	C42H81O10P	775.5492	7.981
PG 18:0_22:6	C46H79O10P	821.5331	7.019
PG 18:1_18:2	C42H77O10P	771.5171	6.094
PG 18:1_22:6	C46H77O10P	819.5164	5.826
PG 18:2_18:2	C42H75O10P	769.501	5.561
PG 18:2_20:4	C44H75O10P	793.5011	5.48
PG 18:2_22:6	C46H75O10P	817.5023	5.318
PG 20:4_22:6	C48H75O10P	841.5024	5.224
PG 22:6_22:6	C50H75O10P	865.5034	5.175
PG 38:7	C44H73O10P	791.4854	5.183
PI 18:0_22:6	C49H83O13P	909.5491	6.845
PS 18:0_22:6	C46H78NO10P	836.5503	6.913
METABOLITES_END
#END