#METABOLOMICS WORKBENCH boudreaulab_20240602_073820 DATATRACK_ID:4886 STUDY_ID:ST003246 ANALYSIS_ID:AN005317 PROJECT_ID:PR002016
VERSION             	1
CREATED_ON             	June 5, 2024, 7:06 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 on cardiac and mitochondrial lipids in mice
ST:STUDY_SUMMARY                 	Cardiac lipidome analysis in aged (21 to 23-months old) male wildtype and mtln
ST:STUDY_SUMMARY                 	knockout mice
ST:INSTITUTE                     	University of Iowa
ST:LAST_NAME                     	Boudreau
ST:FIRST_NAME                    	Ryan
ST:ADDRESS                       	405 Galway Dr, Iowa City, Iowa, 52246, USA
ST:EMAIL                         	ryan-boudreau@uiowa.edu
ST:PHONE                         	3193535573
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	1102-3	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_08_+_1102-3.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_110_-_1102-3.mzML
SUBJECT_SAMPLE_FACTORS           	-	1116-1	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_16_+_1116-1.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_106_-_1116-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	1116-4	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_06_+_1116-4.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_105_-_1116-4.mzML
SUBJECT_SAMPLE_FACTORS           	-	1134-1	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_17_+_1134-1.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_117_-_1134-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	1134-2	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_15_+_1134-2.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_120_-_1134-2.mzML
SUBJECT_SAMPLE_FACTORS           	-	1134-3	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_19_+_1134-3.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_108_-_1134-3.mzML
SUBJECT_SAMPLE_FACTORS           	-	1134-4	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_07_+_1134-4.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_109_-_1134-4.mzML
SUBJECT_SAMPLE_FACTORS           	-	1134-5	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_10_+_1134-5.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_116_-_1134-5.mzML
SUBJECT_SAMPLE_FACTORS           	-	1153-1	Genotype:KO | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_21_+_1153-1.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_114_-_1153-1.mzML
SUBJECT_SAMPLE_FACTORS           	-	2191-1	Genotype:WT | Sample source:heart tissue	RAW_FILE_NAME(Raw file name  POS mode)=6545_20190605_11_+_2191-1.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545_20190605_118_-_2191-1.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                 	The chromatography gradient for both positive and negative modes started at 15%
CH:FLOW_GRADIENT                 	mobile phase B then increased to 30% B over 2.4 min. It sequentially increased
CH:FLOW_GRADIENT                 	to 48% B from 2.4 – 3.0 min, 82% B from 3 – 13.2 min, and 99% B from 13.2
CH:FLOW_GRADIENT                 	– 13.8 min where it’s held until 16.7 min and returned to the initial
CH:FLOW_GRADIENT                 	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 6545 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	counts normalized to total lipid signal
MS_METABOLITE_DATA_START
Samples	1134-2	1134-3	1134-4	1134-5	1153-1	1102-3	1116-1	1116-4	1134-1	2191-1
Factors	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	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
PC 20:1_22:6	58152.35479	39476.00335	49428.5252	41805.66853	50483.66331	41447.02867	34347.63657	38014.22912	38633.93697	43521.47096
SM 34:2;O2	54965.53584	48590.51153	52092.7648	48544.44908	44234.69884	55588.89612	57981.17399	51819.4412	59471.45623	51754.63272
SM 39:2;O2	87600.35685	92340.03719	98330.88849	75867.03116	83435.35667	70973.38604	68452.22892	64800.54306	85530.95135	83131.14566
FA 18:1	188643.3638	144762.1431	156266.8388	179180.5405	183756.0618	208741.4212	196822.9913	178443.2738	177244.9112	215440.1062
PC 20:0_22:6	128226.0239	121702.553	128052.4741	111461.2334	104218.1166	122335.6693	111784.7438	95161.90754	86043.69951	91981.9718
PE 19:0_20:4	133568.1083	143811.0042	171783.5471	146620.3138	117761.8822	128439.0508	120647.6211	125822.6801	102740.3333	131316.098
PE 19:0_22:6	294544.2392	270071.763	244824.447	226283.9057	267070.89	236457.684	244402.8493	246461.048	206491.412	230616.5529
PE 20:0_20:4	27159.6448	31055.95687	36166.03775	33934.47589	35748.4267	31281.80271	25761.32733	26399.17709	25678.66354	32544.31891
PE O-18:2/18:2	74632.13962	86765.78242	72376.89753	66436.99221	78777.69568	80408.33208	80283.41553	79792.81923	90055.53097	97675.45855
PC 18:2_18:3	45756.44323	70740.8923	39921.65584	44076.07278	75882.95864	80414.42961	64357.45791	73334.36666	67509.06225	69081.35168
PC O-16:1/18:1	55689.93756	45749.57617	57642.70884	62523.00108	35944.66203	102601.4185	65858.6469	137390.3471	66843.52872	43754.2808
PC 19:0_22:5	21053.8913	19676.1866	24897.50218	24852.24803	18593.68913	19921.01568	22167.49938	19478.15718	14027.1061	12812.57736
PC 20:0_20:4	28309.59992	27027.93506	35046.84562	30154.38282	29256.61728	29482.6766	28854.18324	23207.12293	22030.34112	27419.46792
SM 38:1;O2	1370077.154	1444456.934	1373169.352	1126550.313	1080966.106	1239589.343	897148.2262	1126055.602	1215695.565	1051923.38
PE 20:0_22:6	91594.29485	94860.4856	110098.5889	110235.2641	112274.1446	106643.2651	92947.46219	96449.73565	70530.70016	87635.90004
PG 22:6_22:6	95977.38976	105402.2322	105910.8012	184591.0065	111447.0307	131916.8664	274186.3886	189988.7015	90616.86674	246250.6819
PC 18:0_18:1	1741662.827	1923665.634	2199676.376	2152630.605	1898389.195	2866707.58	2187867.5	2661913.115	1791086.228	2209265.868
PC 14:0_22:6	101392.6155	80088.00883	54404.81158	112050.4117	99139.83385	108911.3999	164263.4452	111898.7403	101731.261	96516.42117
PG 18:2_20:4	18984.2592	21437.72723	22983.20265	31091.08324	17249.94878	18115.10513	20254.75146	18803.40625	18675.82218	11252.97833
PE O-40:6	826314.828	840265.0809	907540.2786	1071174.471	1099152.076	1008397.821	684910.178	753446.8868	812265.3007	811069.7402
PG 18:1_18:2	117520.3269	154366.27	180098.8264	231524.3211	98663.77088	102085.9252	123748.0095	103102.1056	158157.2319	51677.58996
PE 18:1_22:6	7231732.042	6942790.71	6854507.283	6432385.932	6539825.842	6315583.181	6551008.101	6459294.638	6806964.356	6524357.626
PG 18:1_18:1	77770.98417	76211.99416	118164.0976	150777.4432	54657.31914	52243.97296	67965.24494	68443.95662	94562.54556	31670.83351
PE 18:2_18:2	144700.2886	249910.7851	152155.6071	163373.9545	239917.8162	288052.8498	206175.8616	194221.402	209492.7995	291251.6099
PC 18:0_22:5	398645.3806	393278.5312	440941.4201	462428.8568	283633.5145	339218.7878	393299.9229	332856.8662	359829.9309	287312.8287
PE O-16:1/18:2	164348.4328	197240.6236	149078.1803	156467.2215	221409.0414	237256.7775	162567.3519	195269.9106	196324.7481	276450.4437
PE O-18:1/22:4	60840.39991	51334.67918	49562.76974	64861.6668	57797.04761	51442.19681	44254.01596	44306.96811	53908.7708	59768.62993
PC 17:0_18:1	57593.8209	60101.44924	47007.22016	46829.77402	49656.41223	74085.72957	56604.67038	70193.26204	48486.91785	53585.48957
PE 20:1_22:6	107653.2569	89869.31149	93525.47309	81201.30393	132506.9704	85691.4389	60773.99393	82230.94762	78279.03069	111960.6509
PE 18:0_22:5	699594.0578	741990.2279	828162.669	973631.5153	864791.8046	721132.1504	725806.2594	748142.0754	746975.2893	814256.516
PE 16:0_22:6	10082782.35	9510295.692	8802668.06	8529704.117	9529301.913	10019917.22	9833395.476	9294123.149	9476204.593	9977073.435
PC 16:0_20:3	1185773.078	1196694.793	1160687.286	1093110.03	1285538.574	1391932.725	1131069.285	1245241.24	1218340.045	1299515.919
PG 16:0_18:1	3832231.198	3673109.114	4656063.427	4983002.243	4241840.371	3627164.253	3946292.498	4285567.218	4000330.447	3669305.561
PG 18:2_20:3	6639.390114	9552.1521	13910.69056	15251.41039	10374.18345	8910.170864	10481.07425	10953.52116	8024.923371	4247.766388
PC O-16:1/18:2	55486.62299	74647.08056	48470.23957	41255.1198	63149.01361	69225.74092	59435.20285	49659.63333	75994.89906	86306.66166
PC 18:2_20:4	476453.0061	500159.7681	535079.1592	523430.4777	471771.486	599269.2788	605029.2217	483087.6683	446605.1581	632248.6549
PC 20:5_22:6	8427.922566	8161.839557	11175.93995	18441.02586	15163.98921	15334.11673	24033.4792	16309.00439	10027.70144	15561.28853
PE O-16:1/22:4	90767.393	78523.30049	93451.04522	130897.5062	107275.679	65821.19918	94159.16328	99109.02896	92997.6881	76887.93076
PC 18:3_22:6	93380.84833	95727.17452	93638.75656	127915.9267	105102.1023	114814.7505	164846.4182	125505.0687	111748.288	90478.83068
PE O-14:1/20:4	7738.712142	6956.13925	6574.318111	9267.824194	9445.128727	9431.401415	10182.82689	8585.398647	6854.526605	10782.54334
PC 16:0_18:1	2838542.759	2747746.779	2953913.56	2954271.741	3014452.002	3520760.61	2782537.847	3914479.666	2818428.045	2945542.339
PE O-18:1/20:4	1127869.87	1047784.438	1046988.571	1260566.587	1136745.937	1167171.94	943562.2829	888034.748	992429.8255	1176240.529
PE 18:1_20:4	1387592.558	1475722.231	2036995.394	1727451.225	1439028.873	1425553.788	1502729.504	1517201.761	1316333.136	1515361.757
SM 40:2;O2	377417.1813	386082.0092	427655.6532	412525.3629	293545.1764	304856.5354	412925.3106	364242.2224	313876.8566	314400.2271
PC 22:5_22:6	25312.41702	21832.22218	27490.75072	45441.85111	30440.97758	33233.62114	45113.35067	36330.89167	28342.60091	36639.74347
PC 17:0_18:2	51614.36471	64054.37176	39973.6503	34617.93634	54042.67363	67681.78852	48885.71063	49616.7698	54815.8595	60646.27322
SM 42:3;O2	220488.7113	199642.0639	196247.8381	189941.5801	164541.025	164635.6542	242311.8688	202518.7688	271840.707	209058.4883
PC 18:1_18:2	1157665.355	1165220.101	1113995.597	1069015.344	1256671.902	1347303.253	1083254.917	1191204.698	1190430.609	1266183.988
PC 18:1_22:5	83727.71511	57525.19113	100949.094	114764.1534	79950.96448	63187.42088	91575.27123	85803.49115	73934.7479	51647.02681
Cer 18:2;O2/18:0	88927.49637	103258.089	100871.1509	118165.8717	67012.99523	84246.12553	147076.1408	108122.145	163375.8194	81172.72609
PC 19:0_18:1	43375.81228	45473.77055	44304.65039	43631.35082	37601.01778	62212.74859	48009.84675	52437.80853	34268.02669	44309.55293
PC 18:0_20:2	175267.3837	196186.8055	169226.561	169554.3504	183733.404	226915.4022	199027.002	159697.8282	171582.5814	211448.7758
PC 19:0_22:6	383496.2425	291618.9728	272955.2362	267809.4082	206332.3301	245834.9264	315664.7737	246789.514	226230.2098	194470.4655
LPC 22:6	51640.03581	46911.74645	63719.10456	65778.89283	47803.47034	52195.50667	82521.58576	75038.57457	48826.9514	58849.64319
SM 38:0;O2	28851.29477	27222.25121	24807.54489	22366.4472	22058.03347	27444.59824	20575.41715	22733.61717	23041.60851	22044.56445
SM 40:1;O2	2005745.056	1946838.613	1880139.939	1902289.148	1528328.153	1913746.191	1636010.854	1931034.534	1641690.045	1533333.162
SM 42:2;O2	1314720.961	1080373.669	1258475.444	1306059.372	1044423.35	1139508.695	1416219.909	1426556.123	1290587.99	1165583.354
PC O-16:2/22:6	78801.93109	85824.67209	112222.4047	80531.00332	83542.76935	114306.3875	146426.6136	89941.24998	80646.64617	81582.30352
PE O-18:3/18:2	39024.56704	51118.40539	29914.01523	27581.95212	45203.14433	48068.59396	39424.74688	34427.98892	44588.41579	55936.06074
PC 14:0_18:2	30095.33347	31091.51925	36927.01551	34739.95229	57101.55024	43840.02247	40422.12621	49679.32357	39238.61105	43648.27438
PC 38:5	365759.6355	363848.1055	417003.8751	428857.3114	320247.8031	394014.8062	367920.6478	384013.687	312879.6633	302641.4294
LPE 18:0	29256.29519	34043.29414	30649.13316	30756.46188	35162.54956	31326.2345	30147.68637	31808.72162	38025.22502	39347.26551
PE 16:0_18:0	35642.6093	31572.92622	43206.59908	53822.0668	35550.4332	32573.75932	34448.2505	42086.80266	35997.4406	33794.04721
PC 18:2_18:2	659100.1119	988114.0572	606454.0363	500240.2485	792942.7952	939130.3511	660113.0855	693089.1091	901252.7956	840831.3777
PE 15:0_22:6	30870.48867	39537.64503	19095.18975	29844.82579	32151.22506	33599.67253	34968.15451	32801.03941	31762.42647	34008.02462
PG 22:5_22:6	140657.542	191944.3034	212996.5732	363527.087	217530.0596	281832.5922	315638.352	332085.2117	147893.7404	281428.3769
PE O-38:7	8924490.085	9198013.185	9531088.101	9513719.412	9561172.464	8704578.417	9472831.233	9743132.475	10045578.4	10074327.27
PC O-16:0/22:5	96512.50398	92594.25744	157987.605	149777.7076	89968.2099	91430.22073	123881.1108	108722.8161	111545.6226	71029.3129
PG 36:2	593630.8012	742906.8336	416615.3619	592608.0803	751886.6861	800408.1743	627866.8128	559722.5669	644787.5463	831448.7646
PG 16:0_16:0	70510.02964	78820.74643	96745.92246	95636.28226	97862.79584	99266.95028	86623.72342	96729.03305	91755.81835	92284.17306
PG 18:1_20:4	12620.12329	10142.27724	19244.46999	34616.895	9331.653621	9782.02056	18255.12736	15661.98603	13142.27297	5696.50809
PE 17:0_20:4	84626.78737	100859.8421	96841.63385	85689.72189	82670.6287	83894.73207	86492.98712	78401.2062	83149.10569	97520.31081
PI 18:0_20:4	3363179.511	3020429.785	2841243.681	1293839.623	4140360.09	3549507.127	2511993.293	3870972.19	3387686.816	3576681.537
PE 20:2_22:6	133757.7532	94402.23803	105129.2943	126874.5363	115457.6061	110629.9036	153104.1574	138723.9267	113171.748	108053.358
PC 18:1_18:1	670270.7017	259534.8406	397686.5635	517837.0396	1044251.087	360214.8322	376272.5816	449598.3258	487458.8033	618681.2797
PG 20:5_22:6	4257.999083	5643.396206	6790.192865	8791.04302	7711.078005	7807.493815	9080.513427	8662.974491	3977.424516	8716.755786
PC 16:0_22:4	60293.13758	53206.38046	70947.99807	70098.6727	66379.33147	57537.44496	63263.37125	69758.70227	52675.56114	60185.54622
HexCer 18:1;O2/20:0	42106.68426	41751.13782	38966.57964	42603.62606	40232.70167	43054.09918	30919.59335	46005.24847	35646.51404	39307.76752
PC 16:0_22:5	1273342.577	1063302.992	1528182.167	1566252.494	1290415.535	1295664.083	1415232.772	1481959.579	1070220.831	927076.2402
PE 18:3_22:6	64710.54853	69635.36314	58313.60895	87607.15073	113323.492	81718.13215	91485.57092	83847.8753	87433.21479	87425.86922
PC 16:2_22:6	11101.00618	8087.549372	7635.56492	10135.16478	7106.423134	8992.679713	13260.87008	9407.906305	11398.22953	6291.958475
PC 18:2_22:5	101698.4217	117852.0274	124000.8102	135948.28	135788.9676	128889.8261	120725.6685	118953.5957	111789.2609	107171.3421
PC 34:3	151040.0966	146214.9553	180506.3043	158169.7964	181988.3725	167732.7706	166375.8426	191325.3922	175466.2346	153231.2465
SM 39:1;O2	552972.3049	494188.8045	512508.0672	504050.5684	301434.34	432526.6874	467279.5581	542853.0616	397429.8391	306494.9615
PE 18:0_20:1	22735.21317	22167.73597	21548.85102	25987.51376	36783.85594	23139.02721	20293.56873	20089.14104	22473.12813	30561.23091
SM 32:1;O2	9558.101961	7577.618467	10137.79485	9343.494072	7625.443307	8441.277625	11873.65649	10455.07126	8625.03673	8133.042506
PS 18:1_20:2	45605.75207	42776.97805	55543.36801	62760.10455	48828.57613	53471.23194	52177.50146	64443.96535	48983.21954	52852.91776
Cer 18:0;(OH)3/20:0	55212.98695	50153.98084	71344.65945	87668.14524	40486.93856	72386.56195	38435.87839	73407.35564	39679.96379	38117.90772
PE O-18:1/18:2	411772.9309	438649.695	296749.5912	363984.2265	527077.6508	594648.3139	327372.0821	332566.9669	418953.8125	638028.7129
PE O-18:3/22:6	3777675.7	4442481.241	3704123.697	3861595.656	2618349.027	3732385.938	5272485.209	3864339.761	3892245.536	3253155.299
PS 18:0_22:6	142622.0791	113083.6773	110890.0318	66962.56751	131309.1213	122233.4571	109798.5575	151483.1923	106494.8021	128878.3494
PC 18:0_22:4	122167.766	110188.8988	160662.8841	207037.4564	87274.17051	104803.5298	161160.3596	132742.4658	117812.4703	84022.6447
PE 20:3_20:4	290417.3916	172815.2349	248885.1707	349140.692	498472.0949	214465.1435	309568.2697	265576.2997	317003.5518	250730.0004
PC O-16:0/20:4	68217.13027	52131.51718	61180.26474	60325.4517	47771.24644	58720.57394	68758.15977	56611.84733	60054.43618	59559.4185
PE 18:1_22:5	2468555.982	906413.6141	1184739.058	1527589.753	4223985.793	1107624.873	1101817.839	1529545.159	2274209.052	2104978.429
PC 18:0_18:2	2599142.928	3255561.058	2707006.599	2039563.727	2823235.538	3239704.69	2466805.016	2378072.36	2904119.439	3370982.99
PC 16:0_18:2	2552716.9	3430376.34	2577005.866	2066304.536	3292336.772	3438095.182	2382951.804	2777291.633	2938832.063	3430339.184
Cer 18:0;(OH)3/24:0	22210.08201	19944.82005	26142.84638	37975.86528	15116.94083	27026.45425	19771.97442	29778.56803	13669.51074	15201.65399
Cer 18:2;O2/24:1	506186.1338	488439.6222	675026.0829	841245.8773	362368.894	594012.6291	804342.6771	716052.1363	661927.1588	424069.9634
PE 20:4_22:6	51584.96682	38744.22759	48010.36955	87545.54971	54893.63881	46600.26607	75932.89216	59491.25955	67817.29098	60663.86513
PE O-18:1/18:1	62678.03095	42715.86945	44093.48822	59592.3387	63448.87453	56233.26963	41719.37622	45093.31293	51840.89558	60153.8557
PC 19:0_20:4	94333.88719	79796.66248	103870.8619	88429.1609	64572.60477	87184.84221	102096.6007	73364.89046	59675.00152	79195.37436
PC O-18:0/22:6	61602.74107	46839.62953	41538.65692	42476.38154	41677.40832	43139.66732	47694.31946	37741.2541	51711.63654	40858.38685
PE O-18:2/22:6	6031766.859	5650099.387	6658755.125	6610705.255	4749594.168	4355509.628	6519040.332	6329468.027	6149615.187	4729996.926
PC O-40:7	108062.4399	86781.05496	73339.08403	85381.42041	85187.98186	80603.50547	85478.78698	71725.52067	101504.0091	78088.86887
PC 16:0_16:1	101334.0651	85975.41751	130387.0119	142487.9388	131633.9229	122043.9035	145563.8297	149207.508	103210.8757	111140.4759
PC 20:2_22:6	42564.61569	28222.75157	28983.51594	29902.81045	26732.38405	31219.22478	44435.08695	31623.84788	32373.33153	27770.47373
PE 16:0_18:2	138785.27	212712.273	132998.4331	122518.0732	249780.9502	209751.1532	134332.1823	160785.4011	177176.3895	266890.9306
PC 22:6_22:6	132657.5204	97516.98588	136623.828	253335.6299	114373.9234	113537.6913	261338.4862	162522.104	173323.9364	125657.8934
PG 18:2_22:6	1090303.115	1791254.954	1267556.994	1769356.058	1330730.806	1633850.282	1740964.944	1511472.243	1324447.409	1454538.001
PE O-16:1/20:4	1308365.676	1505870.52	1543843.287	1549938.104	1327708.134	1377686.598	1517960.715	1604641.006	1424507.272	1484140.539
Cer 18:0;(OH)3/22:0	35316.13787	29111.98054	38610.12825	59457.76852	24513.30578	45853.83152	24229.89541	50954.02451	19793.34265	23503.90216
HexCer 42:2;O2	37069.00608	34303.07535	31909.74326	45473.50592	27340.44025	27595.78203	35887.78067	45517.4961	43966.62774	34516.00091
PE 18:0_18:2	394902.141	699759.012	469773.3786	392712.1157	752210.0389	639272.2281	459813.1225	463835.7747	560188.4871	854655.7731
Cer 18:1;O2/23:0	621473.6423	729790.2894	746369.5481	1098549.595	262928.2795	744153.6723	644791.2051	929553.2307	378015.563	326929.3311
PC O-16:0/16:0	104437.9766	40765.04918	49890.58167	47495.02492	61275.76904	60384.20701	44991.65726	46130.81069	55973.67384	66306.07109
Cer 18:1;O2/24:0	502889.5833	416190.209	597796.8617	778935.1956	320022.1751	623054.0313	404728.5339	710953.9567	316675.4619	275613.1594
SM 34:1;O2	297646.1529	297332.5514	254024.1226	219521.7733	235820.0021	269618.8546	216237.952	262968.0386	292452.4283	320529.7476
PE O-38:6	149678.6802	177630.5723	201179.2205	179295.5409	203046.4256	179845.7951	144773.5813	165979.9327	160788.834	220502.9845
PG 16:0_20:4	33840.44306	33156.8885	31722.18741	41647.06577	27395.71111	31165.67362	39796.35351	35432.27168	36188.595	31878.47309
PC 24:0_18:2	27809.73156	45235.10471	23561.61851	27374.93043	27753.55001	40852.52473	36271.33885	31074.15273	16097.60496	41824.88427
Cer 18:1;O2/22:0	1005856.254	1061453.515	1164092.036	1432969.513	744574.9939	1317426.313	710387.559	1517052.413	770685.5199	590640.4676
PC 18:3_20:4	93824.22343	66799.95252	99591.60779	126042.9749	153921.0874	108920.5603	138574.2855	119432.186	103745.8185	107095.0837
PE 20:3_22:6	97819.92365	67544.71687	87815.33422	162221.5151	118273.3743	99193.05218	157125.5008	130295.0239	94558.23719	99342.71282
PE O-18:2/22:5	5826580.537	5864848.514	4660192.965	5459320.293	7032030.04	5765722.716	4653437.602	4529195.884	6040181.917	6586131.308
PG 16:0_18:2	409693.1917	746340.69	511152.3232	545413.8826	925569.9378	806790.8951	501405.2204	567842.86	649215.5808	879523.1254
PC 18:2_22:6	3278774.835	3679649.715	3097202.88	2770955.735	3218973.164	3473607.907	3242709.6	2847457.254	3398889.54	3517212.028
SM 40:0;O2	32392.50711	31870.64168	26317.66888	28219.04064	22906.85099	31036.2144	24657.36552	29288.66536	26533.5024	25305.77493
HexCer 18:1;O2/22:0	64210.16412	64441.30479	65309.73455	85315.40947	61691.1266	66969.15281	54086.27321	84015.94616	57615.645	63016.95265
PE O-18:1/22:6	5826580.537	5864848.514	4660192.965	5463819.457	7007710.041	5782167.058	4662108.528	4534741.897	6032251.866	6586131.308
PE 18:2_22:5	129589.7576	167446.5947	154811.6118	211320.4449	251192.8711	184198.7259	168549.6327	170660.7139	180340.8206	161606.48
PG 18:0_18:1	244608.0623	292993.6508	347549.5114	380426.3387	244192.2957	288284.6926	326113.26	348230.7725	239844.4549	227202.7367
PE 18:0_20:5	306048.8431	388004.3761	399595.2622	361269.3984	455782.2541	406854.3072	275238.4112	353768.0887	312914.2431	469868.7885
LPC 18:2	130803.2546	138552.4594	167767.0297	180892.8066	107984.5589	163705.2897	171148.1334	227981.6463	95972.50232	122486.7365
PC 16:0_20:4	2761034.451	2615672.894	3042152.591	2956018.988	2632782.721	2856134.149	3192253.447	2830947.371	2514015.701	2904178.191
PG 18:0_20:3	27775.90859	27827.14177	24498.59452	32301.93542	30283.99298	27167.89486	28093.93005	27002.68167	30817.79824	33356.29928
PC O-18:1/16:0	119257.3312	82569.81407	103060.7732	85921.58077	79255.14091	94136.392	98446.55923	99536.57224	102645.9001	91406.51786
PE 16:1_20:4	20612.84014	20536.43316	40263.44623	35054.86555	36706.52928	24731.75366	29740.77159	28958.16645	22184.39915	37532.43899
PE O-16:1/18:1	132146.1468	106170.8177	154536.9725	164983.6337	129722.6402	137821.3739	138827.1699	168100.4615	132088.251	135352.5875
PC 18:1_22:6	2008495.496	1512215.047	1984164.927	1800073.185	1171268.805	1493949.82	1981708.283	1712168.872	1675258.052	1201813.744
PE 18:2_20:4	157771.8454	203926.7699	210961.8853	202791.997	214129.9265	202582.6517	180530.4894	170005.3318	197895.3814	282573.0475
PE O-18:1/16:0	18978.9029	14005.65012	17292.65178	21124.33106	25225.4749	18267.30023	15413.10082	16928.72479	19678.58332	22043.90128
FAHFA 2:0_18:0	37193.83928	45655.38713	35574.00533	31893.76793	49691.22281	38435.43878	40536.62649	36368.015	43320.06642	48974.94507
SM 41:2;O2	141750.8292	162500.3733	186320.0269	190734.5144	100290.6356	154642.2957	229818.5628	192441.5037	118970.619	135570.4917
PE 18:2_22:6	2347836.954	2534012.149	2053393.526	2122403.673	2605031.003	2315458.273	2308895.752	2175240.842	2583374.564	2533185.092
SM 42:1;O2	1328319.817	1444143.915	1419901.666	1355759.846	1118876.18	1486473.774	1288700.002	1453765.575	1257607.915	1320250.155
PG 18:0_22:6	2344979.274	2101366.689	1975561.811	3759664.701	1267383.303	1869234.993	3152397.383	2215202.177	1948299.282	1299942.553
PC 17:1_22:6	130524.2799	78448.84627	66630.40577	77913.9037	73077.90834	79997.87531	118995.3312	84387.38919	105637.4062	65732.71024
PE 17:0_22:6	444379.0812	448852.9846	274717.1224	298885.5166	378411.8105	363117.1018	369267.4642	326861.9503	357507.3194	359196.7552
PC O-16:0/22:6	830912.7684	726774.4516	966682.7759	974167.389	593272.8738	608886.0871	993019.3477	783410.5472	944655.548	546965.1677
CL 72:8	44931.28662	82170.54008	28548.82814	17087.34982	131249.112	84847.53707	28136.23112	41296.12965	54222.39685	152306.4858
PE 22:4_22:6	83600.69751	57679.33593	77317.28019	155453.7004	51307.78571	70361.59587	146495.7207	104910.6483	81854.45378	65231.72349
PC O-18:2/22:6	213098.0251	157745.4588	210640.1182	226259.2017	103794.5543	106834.4392	256123.8813	188674.4434	190537.1069	102652.0127
PC O-18:0/18:2	71752.80443	19588.6252	20116.0364	14002.21629	32328.55576	30244.94678	17830.85946	18248.28263	30592.2357	40507.41471
PE 16:0_20:5	22404.82173	34896.73378	40150.62996	34923.13088	39564.00432	41559.79603	31025.90743	33122.47572	27715.83746	46535.48226
PE 18:0_18:1	179994.2564	168276.6491	241934.7571	303236.6259	197990.3862	229351.5169	228775.1123	284172.1768	193177.165	205187.9167
LPE 16:0	17365.40312	24833.98663	21244.22122	26031.61116	19971.43207	21093.92873	18352.72539	24636.78725	20871.77757	21338.23172
PG 20:4_22:6	93832.25012	56181.07274	82445.36202	162423.0663	67282.37468	89915.50536	121950.4915	123186.5191	64227.79544	97092.28474
PE 18:0_20:4	4755814.698	5541271.447	6171819.695	5569803.247	5554594.401	5273062.798	5153071.743	5087193.177	5223783.01	6347405.07
PC 20:4_22:6	104759.141	73788.36644	108699.8626	196842.2699	96980.19311	93963.36947	186125.2009	110380.1388	132120.0639	99243.27009
PC O-18:1/22:6	142975.6772	112117.2083	150143.021	141036.5796	69569.05032	77933.0332	171686.1289	120728.6868	138923.5952	70040.44874
PC 16:0_16:0	1657102.5	1810211.914	1962801.289	1688214.03	1722604.514	1703285.189	1659149.202	1919287.565	1820377.583	1622561.278
PE 16:0_18:1	136793.8146	122909.2119	159349.8897	183365.9002	145059.4484	148143.6865	135255.2141	183640.8949	146811.014	152649.2104
PC O-16:1/22:6	1464259.966	1232872.213	1400566.685	1431962.759	957141.1007	1068619.921	1728603.3	1338834.197	1524465.074	1057247.198
LPC 16:0	619299.2676	737381.7927	816290.8006	924539.3881	535466.1888	724062.6921	782974.7707	885031.1656	505339.003	597789.2441
PE 18:0_22:4	102063.035	100096.3919	128823.6206	204803.5865	99716.05069	95745.72182	148538.755	145489.0647	114691.2153	98516.23074
PC O-16:1/20:4	209337.9542	165633.875	224332.1782	257252.8643	151926.1036	181409.1357	297397.9304	198191.1259	194827.5045	177449.4694
PC 19:0_18:2	68901.21919	89665.03922	63005.416	40546.11112	62248.18029	89466.69264	60638.7222	52067.46074	57733.82956	79049.39611
SM 36:1;O2	259013.8999	282788.3691	257230.713	211895.9627	212495.5719	245687.932	220456.6948	235232.3471	275687.4361	269814.2737
PC 16:0_18:0	376856.2904	387238.3064	483926.975	474645.3165	357382.1168	376758.0159	438644.8343	430312.8605	429698.4708	363954.7079
SM 43:1;O2	25350.21377	26843.81891	26639.30649	30970.13236	18610.99835	27800.07259	28080.89808	30481.21562	21427.21575	23997.75907
PC 17:0_22:6	402792.6736	340279.7907	247923.1256	257268.4047	219224.1047	254154.2586	360210.0896	264082.9605	316317.76	223374.3822
PG 35:1	69581.94948	72964.18292	55197.13547	68037.03455	65436.78656	63758.50535	69001.42436	67106.92901	59954.79072	67457.70652
Cer 18:2;O2/24:0	179234.6111	247292.0939	310153.5147	329596.4417	150138.6143	301922.8766	341035.2386	285934.5498	175879.1405	167335.2482
LPC 20:4	26932.62878	23376.3238	42201.75581	60103.35581	25495.57902	32438.70822	53285.58762	52895.39192	20138.75474	30074.48899
PE 17:1_22:6	140192.7922	107696.216	94341.85523	125429.7209	113622.6907	103732.344	129530.8519	112134.8609	131923.3277	91957.37224
PC 18:0_22:6	12057995.4	11614592.6	11078861.72	10023775.84	10539580.36	11306469.06	11313900.68	10174968.53	11787520.54	11214034.82
SM 37:1;O2	109823.0562	92194.78368	87983.64455	78805.18097	68415.49211	96436.23475	77701.54289	110459.8281	93897.7766	69116.99105
PE 18:0_20:3	100637.0774	100303.4788	140926.5501	140012.9445	148810.7041	119499.0665	137514.9984	144530.1709	109014.6909	132125.8431
LPC 18:0	44674.32484	25828.97301	43766.37057	47116.48879	26993.15494	32380.92714	46964.87207	43083.2745	32948.80395	27314.20704
Cer 18:1;O2/24:1	1050022.22	811671.119	1136093.623	1336293.646	789674.3775	998051.3454	1080475.569	1300912.82	1103886.848	768282.0232
PC 16:0_22:6	12573168.28	11829277.84	11514191.5	10224577.52	11321873.18	11400288.46	11385346.31	11759259.78	12294447.97	11031455.72
SM 33:1;O2	48719.2904	25768.01066	33738.66749	30773.01404	25274.81342	29754.83563	39282.94209	34521.46887	30120.54528	26113.26635
PC O-18:3/22:6	54518.3837	50414.87802	40379.09999	43007.37002	30773.01494	33275.06108	57834.29064	40035.84638	50387.89982	31999.01448
FA 18:0	1954496.982	1983650.545	1714455.055	1475784.214	2091765.56	1862383.249	1460061.894	1709994.505	1976970.312	2081706.39
PE O-18:0/20:4	139054.2825	117177.1604	113971.3103	127311.2323	100166.9769	138690.0942	114560.7297	101096.4603	103170.8155	132050.0354
PC 16:1_22:6	617757.3515	344917.1835	590348.0018	623417.6331	395930.7064	377390.2484	712954.8637	550666.0452	541600.232	315393.8104
PG 18:0_20:4	46817.83239	45158.24797	45853.24748	58647.95846	45056.9848	48256.11094	46324.08276	47935.29685	48822.4492	48175.34529
PE 18:0_20:2	31973.91681	30936.4276	31311.50394	37927.95993	43566.76589	33558.03151	33253.51388	32123.45175	35484.46022	39277.05345
PC 15:0_22:6	233197.6981	228794.2326	124630.1849	162648.443	146010.0003	165344.5192	223307.0302	191169.0691	194924.3949	139111.129
Cer 18:0;O3/24:1	15371.44031	11086.02908	17343.14679	24392.82631	13695.9019	20171.90392	14884.19376	20457.2863	12721.4808	11621.24384
PG 22:4_22:6	4585.784109	3486.272111	5198.279988	8217.964322	3696.333022	3278.018679	7255.686187	7507.961041	3526.061223	4473.818467
PC 18:0_20:1	76410.16642	82175.43455	77925.95799	80852.99748	98870.36872	91363.15653	67801.48514	79380.91624	73172.5671	99690.62121
PE 19:0_18:2	14278.88651	20892.71054	14792.37786	11970.97196	17795.87495	19606.79913	14164.5171	14971.38345	12372.01743	20030.27864
HexCer 18:1;O2/23:0	23012.22693	24471.04076	22436.43512	31570.54218	19460.67572	23905.05512	22437.40075	35422.31876	15849.18458	20920.33448
LPC 18:1	56066.75283	47400.44984	104381.0607	134188.2023	45324.71362	64234.8658	85550.34282	133809.1355	34850.35483	53434.55514
PG 20:3_22:6	8859.661195	7555.965267	12164.34384	18615.35124	9967.013893	10953.60011	16552.07027	15601.34874	7007.088381	8728.666355
PC 16:1_20:4	76638.24969	56898.35288	89480.85101	102583.0145	111952.2832	74771.7	101032.3466	92712.15829	67277.1243	95101.44995
PE 16:0_20:4	910785.6318	1050018.846	1408750.928	1294901.569	986228.133	1067037.861	1157176.463	1136025.578	988810.0934	1242965.287
PE 16:1_22:6	243162.6465	196004.2137	307603.6584	344991.175	327122.6957	270637.8518	329346.7132	300700.5987	235815.8384	300451.6698
PS 20:2_20:4	159023.3909	145931.6225	115802.51	77595.28231	169356.2468	113388.8394	101959.5024	119089.4533	164771.9219	181194.4337
PE O-18:0/18:2	93221.48999	46888.12653	35348.39553	30651.84105	60215.25985	63747.85867	35087.83646	35276.8996	51326.54378	73780.68884
PE 18:1_18:2	161268.312	206270.2348	160703.9543	143193.4978	244145.9631	192385.1605	137014.1519	161184.5704	185834.1667	250207.1245
HexCer 42:1;O2	32599.81014	33900.18182	32159.90952	44534.54676	35522.73938	34775.07338	30111.73744	44925.48956	29755.88596	37751.28908
PE 18:1_20:3	47758.03699	56975.68799	62598.24999	62596.68885	50458.18571	58921.72629	55099.46116	63600.73947	50376.12302	53861.43488
PI 18:0_22:6	29806.53585	22468.0615	19827.80716	10550.17552	38273.52082	21870.59676	15471.75744	28238.99679	28384.95953	28868.41327
Cer 18:2;O2/22:0	1008592.257	1273885.521	1448173.324	1805506.486	752339.6039	1418754.626	1554445.338	1673591.032	838416.1785	709438.9602
SM 41:1;O2	693915.241	651068.3575	671840.9432	744926.2147	470166.632	684166.1371	724041.0446	783901.1399	514533.4895	547913.3067
PG 18:1_22:6	69912.49885	74441.81173	89629.25058	141524.1863	70473.3531	75716.47773	117212.4714	103178.1214	77837.50371	76410.9607
Cer 18:2;O2/23:0	523068.1288	698905.6603	792212.1959	1168461.163	400190.554	821599.6099	1000203.298	942709.9646	402975.9971	454382.8625
PC 20:3_22:6	60202.34731	37656.70227	67908.34911	91964.8035	49201.98268	49187.19237	89365.25175	67185.11549	54012.59367	44589.43964
PE 20:3_22:5	47663.77352	33630.63636	61250.71862	134176.0318	53288.11611	59602.72273	106000.8384	79866.68798	47601.02866	40103.19166
PC 18:0_20:4	3251753.86	3179129.772	3924027.539	3537725.956	3008020.616	3513998.872	4005258.777	2887199.997	2937636.615	3595065.315
PI 18:0_22:3	19602.48659	22642.55425	23163.00687	14916.49275	26021.42625	18767.74749	16699.84053	16431.56736	23180.09491	31701.97528
PE 18:0_22:6	15260194.47	15769245.09	14275426.14	13344346.69	17125935.13	14919366.14	13925387.38	14368017.9	16015761.14	16645813.88
PC O-16:1/22:5	206623.218	204896.6057	289651.396	293685.0683	156856.825	226428.0508	314108.8069	243744.2116	224117.5227	140144.0518
PC 18:0_20:3	265241.097	248161.6251	403521.3681	376581.7148	310826.9997	352209.9096	373497.6148	337007.8661	226643.7255	316546.546
PC O-18:1/20:4	17328.63773	13622.03729	14629.27769	17185.99282	14406.17771	16698.896	16708.10129	11443.24544	16302.32072	16068.62409
PG 16:0_22:6	21741.43671	19011.05955	18883.21127	29864.0602	19829.10337	17424.27087	27827.7167	23475.41051	21699.6339	18844.2233
PE 39:4	38175.70987	33802.15466	29883.2495	49722.95593	40219.218	29437.86577	42583.83458	42992.17608	43121.33951	33661.23489
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	m/z	Retention time
PC 20:1_22:6	C50H86NO8P	904.6056	7.629
SM 34:2;O2	C39H77N2O6P	745.5489	5.989
SM 39:2;O2	C43H85N2O6P	801.6117	7.778
FA 18:1	C18H34O2	281.2491	4.47
PC 20:0_22:6	C50H88NO8P	906.6221	8.458
PE 19:0_20:4	C44H80NO8P	780.5547	8.541
PE 19:0_22:6	C46H80NO8P	804.5556	8.29
PE 20:0_20:4	C45H82NO8P	794.5698	8.96
PE O-18:2/18:2	C41H76NO7P	724.5276	7.947
PC 18:2_18:3	C44H78NO8P	824.5423	5.955
PC O-16:1/18:1	C42H82NO7P	788.58	8.193
PC 19:0_22:5	C49H88NO8P	894.6211	8.294
PC 20:0_20:4	C48H88NO8P	882.6215	8.713
SM 38:1;O2	C43H87N2O6P	803.6302	8.571
PE 20:0_22:6	C47H82NO8P	818.5697	8.702
PG 22:6_22:6	C50H75O10P	865.5024	4.947
PC 18:0_18:1	C44H86NO8P	832.6099	8.641
PC 14:0_22:6	C44H76NO8P	822.5289	5.905
PG 18:2_20:4	C44H75O10P	793.5005	5.369
PE O-40:6	C45H80NO7P	776.5611	8.548
PG 18:1_18:2	C42H77O10P	771.5179	5.943
PE 18:1_22:6	C45H76NO8P	788.5256	7.065
PG 18:1_18:1	C42H79O10P	773.5328	6.514
PE 18:2_18:2	C41H74NO8P	738.5084	6.817
PC 18:0_22:5	C48H86NO8P	880.6083	7.876
PE O-16:1/18:2	C39H74NO7P	698.5128	7.768
PE O-18:1/22:4	C45H82NO7P	778.5743	9.126
PC 17:0_18:1	C43H84NO8P	818.5898	8.206
PE 20:1_22:6	C47H80NO8P	816.5539	7.893
PE 18:0_22:5	C45H80NO8P	792.5563	8.429
PE 16:0_22:6	C43H74NO8P	762.5099	6.919
PC 16:0_20:3	C44H82NO8P	828.5739	7.48
PG 16:0_18:1	C40H77O10P	747.5203	6.997
PG 18:2_20:3	C44H77O10P	795.5159	5.6
PC O-16:1/18:2	C42H80NO7P	786.5644	7.494
PC 18:2_20:4	C46H80NO8P	850.5617	6.383
PC 20:5_22:6	C50H78NO8P	896.5435	5.514
PE O-16:1/22:4	C43H78NO7P	750.5435	8.275
PC 18:3_22:6	C48H78NO8P	872.5443	5.654
PE O-14:1/20:4	C39H70NO7P	694.4804	6.761
PC 16:0_18:1	C42H82NO8P	804.5782	7.753
PE O-18:1/20:4	C43H78NO7P	750.5458	8.516
PE 18:1_20:4	C43H76NO8P	764.5261	7.273
SM 40:2;O2	C45H89N2O6P	829.6446	8.715
PC 22:5_22:6	C52H82NO8P	924.5742	6.062
PC 17:0_18:2	C43H82NO8P	816.5741	7.499
SM 42:3;O2	C47H91N2O6P	855.6595	8.683
PC 18:1_18:2	C44H82NO8P	828.5777	7.181
PC 18:1_22:5	C48H84NO8P	878.5898	7.075
Cer 18:2;O2/18:0	C36H69NO3	608.5257	8.055
PC 19:0_18:1	C45H88NO8P	846.6215	9.066
PC 18:0_20:2	C46H88NO8P	858.6226	8.766
PC 19:0_22:6	C49H86NO8P	892.6077	8.024
LPC 22:6	C30H50NO7P	612.3297	1.605
SM 38:0;O2	C43H89N2O6P	805.6413	8.905
SM 40:1;O2	C45H91N2O6P	831.6618	9.459
SM 42:2;O2	C47H93N2O6P	857.6771	9.412
PC O-16:2/22:6	C46H78NO7P	832.5502	6.878
PE O-18:3/18:2	C41H74NO7P	722.5117	7.167
PC 14:0_18:2	C40H76NO8P	774.525	6.258
PC 38:5	C46H82NO8P	852.5767	7.299
LPE 18:0	C23H48NO7P	480.3094	3.446
PE 16:0_18:0	C39H78NO8P	718.5382	8.83
PC 18:2_18:2	C44H80NO8P	826.562	6.519
PE 15:0_22:6	C42H72NO8P	748.4926	6.523
PG 22:5_22:6	C50H77O10P	867.5198	5.136
PE O-38:7	C43H74NO7P	746.5154	7.358
PC O-16:0/22:5	C46H84NO7P	838.5956	7.487
PG 36:2	C42H79O10P	773.5345	7.182
PG 16:0_16:0	C38H75O10P	721.5022	6.885
PG 18:1_20:4	C44H77O10P	795.5166	5.827
PE 17:0_20:4	C42H76NO8P	752.5237	7.662
PI 18:0_20:4	C47H83O13P	885.5522	6.877
PE 20:2_22:6	C47H78NO8P	814.5385	7.165
PC 18:1_18:1	C44H84NO8P	830.5905	7.794
PG 20:5_22:6	C48H73O10P	839.4859	4.713
PC 16:0_22:4	C46H84NO8P	854.5875	7.569
HexCer 18:1;O2/20:0	C44H85NO8	800.6244	8.921
PC 16:0_22:5	C46H82NO8P	852.5778	7.009
PE 18:3_22:6	C45H72NO8P	784.4921	5.835
PC 16:2_22:6	C46H76NO8P	846.5277	5.527
PC 18:2_22:5	C48H82NO8P	876.5754	6.432
PC 34:3	C42H78NO8P	800.5431	6.399
SM 39:1;O2	C44H89N2O6P	817.6448	9.023
PE 18:0_20:1	C43H84NO8P	772.5848	9.703
SM 32:1;O2	C37H75N2O6P	719.5335	5.859
PS 18:1_20:2	C44H80NO10P	812.5413	8.91
Cer 18:0;(OH)3/20:0	C38H77NO4	656.5823	9.355
PE O-18:1/18:2	C41H78NO7P	726.5451	8.674
PE O-18:3/22:6	C45H74NO7P	770.5153	6.823
PS 18:0_22:6	C46H78NO10P	834.5325	6.85
PC 18:0_22:4	C48H88NO8P	882.6223	8.456
PE 20:3_20:4	C45H76NO8P	788.5241	6.837
PC O-16:0/20:4	C44H82NO7P	812.5789	7.466
PE 18:1_22:5	C45H78NO8P	790.5395	7.658
PC 18:0_18:2	C44H84NO8P	830.5943	7.983
PC 16:0_18:2	C42H80NO8P	802.5632	7.098
Cer 18:0;(OH)3/24:0	C42H85NO4	712.6447	10.976
Cer 18:2;O2/24:1	C42H79NO3	690.6049	9.835
PE 20:4_22:6	C47H74NO8P	810.5075	6.199
PE O-18:1/18:1	C41H80NO7P	728.5589	9.356
PC 19:0_20:4	C47H86NO8P	868.6064	8.282
PC O-18:0/22:6	C48H86NO7P	864.6101	8.094
PE O-18:2/22:6	C45H76NO7P	772.5305	7.448
PC O-40:7	C48H84NO7P	862.5958	7.954
PC 16:0_16:1	C40H78NO8P	776.5425	6.886
PC 20:2_22:6	C50H84NO8P	902.5895	6.894
PE 16:0_18:2	C39H74NO8P	714.5078	7.352
PC 22:6_22:6	C52H80NO8P	922.5606	5.811
PG 18:2_22:6	C46H75O10P	817.5049	5.152
PE O-16:1/20:4	C41H74NO7P	722.5149	7.635
Cer 18:0;(OH)3/22:0	C40H81NO4	684.6138	10.174
HexCer 42:2;O2	C48H91NO8	854.671	9.745
PE 18:0_18:2	C41H78NO8P	742.5402	8.253
Cer 18:1;O2/23:0	C41H81NO3	680.6215	11.003
PC O-16:0/16:0	C40H82NO7P	764.5796	8.24
Cer 18:1;O2/24:0	C42H83NO3	694.6367	11.372
SM 34:1;O2	C39H79N2O6P	747.5659	6.752
PE O-38:6	C43H76NO7P	748.5313	7.681
PG 16:0_20:4	C42H75O10P	769.5008	6.25
PC 24:0_18:2	C50H96NO8P	914.6845	10.49
Cer 18:1;O2/22:0	C40H79NO3	666.6057	10.577
PC 18:3_20:4	C46H78NO8P	848.5443	5.845
PE 20:3_22:6	C47H76NO8P	812.5226	6.834
PE O-18:2/22:5	C45H78NO7P	774.543	8.03
PG 16:0_18:2	C40H75O10P	745.5038	6.411
PC 18:2_22:6	C48H80NO8P	874.5631	6.169
SM 40:0;O2	C45H93N2O6P	833.6736	9.759
HexCer 18:1;O2/22:0	C46H89NO8	828.656	9.783
PE O-18:1/22:6	C45H78NO7P	774.5462	8.256
PE 18:2_22:5	C45H76NO8P	788.5253	6.658
PG 18:0_18:1	C42H81O10P	775.549	7.867
PE 18:0_20:5	C43H76NO8P	764.524	7.549
LPC 18:2	C26H50NO7P	564.3302	1.771
PC 16:0_20:4	C44H80NO8P	826.5635	6.95
PG 18:0_20:3	C44H81O10P	799.5478	7.459
PC O-18:1/16:0	C42H84NO7P	790.5954	8.307
PE 16:1_20:4	C41H72NO8P	736.4918	6.442
PE O-16:1/18:1	C39H76NO7P	700.5284	8.491
PC 18:1_22:6	C48H82NO8P	876.5783	6.819
PE 18:2_20:4	C43H74NO8P	762.5078	6.621
PE O-18:1/16:0	C39H78NO7P	702.5434	9.289
FAHFA 2:0_18:0	C20H38O4	341.2702	3.649
SM 41:2;O2	C46H91N2O6P	843.6594	9.143
PE 18:2_22:6	C45H74NO8P	786.5108	6.388
SM 42:1;O2	C47H95N2O6P	859.6925	10.3
PG 18:0_22:6	C46H79O10P	821.5371	6.867
PC 17:1_22:6	C47H80NO8P	862.5599	6.453
PE 17:0_22:6	C44H76NO8P	776.5251	7.409
PC O-16:0/22:6	C46H82NO7P	836.5822	7.218
CL 72:8	C81H142O17P2	1447.9634	12.092
PE 22:4_22:6	C49H78NO8P	838.5348	6.835
PC O-18:2/22:6	C48H82NO7P	860.5811	7.154
PC O-18:0/18:2	C44H86NO7P	816.6115	8.5
PE 16:0_20:5	C41H72NO8P	736.4915	6.618
PE 18:0_18:1	C41H80NO8P	744.555	8.91
LPE 16:0	C21H44NO7P	452.2781	2.269
PG 20:4_22:6	C48H75O10P	841.5044	5.12
PE 18:0_20:4	C43H78NO8P	766.5411	8.094
PC 20:4_22:6	C50H80NO8P	898.5599	6.006
PC O-18:1/22:6	C48H84NO7P	862.5959	7.275
PC 16:0_16:0	C40H80NO8P	778.5624	7.686
PE 16:0_18:1	C39H76NO8P	716.5234	8.02
PC O-16:1/22:6	C46H80NO7P	834.5674	7.069
LPC 16:0	C24H50NO7P	540.3317	2.213
PE 18:0_22:4	C45H82NO8P	794.569	8.703
PC O-16:1/20:4	C44H80NO7P	810.5655	7.324
PC 19:0_18:2	C45H86NO8P	844.6048	8.412
SM 36:1;O2	C41H83N2O6P	775.5938	7.675
PC 16:0_18:0	C42H84NO8P	806.593	8.559
SM 43:1;O2	C48H97N2O6P	873.7049	10.701
PC 17:0_22:6	C47H82NO8P	864.5766	7.152
PG 35:1	C41H79O10P	761.533	7.411
Cer 18:2;O2/24:0	C42H81NO3	692.6198	10.695
LPC 20:4	C28H50NO7P	588.3298	1.701
PE 17:1_22:6	C44H74NO8P	774.5096	6.652
PC 18:0_22:6	C48H84NO8P	878.5939	7.581
SM 37:1;O2	C42H85N2O6P	789.6087	8.137
PE 18:0_20:3	C43H80NO8P	768.5538	8.464
LPC 18:0	C26H54NO7P	568.3633	3.338
Cer 18:1;O2/24:1	C42H81NO3	692.6216	10.521
PC 16:0_22:6	C46H80NO8P	850.5625	6.714
SM 33:1;O2	C38H77N2O6P	733.5495	6.288
PC O-18:3/22:6	C48H80NO7P	858.5641	6.497
FA 18:0	C18H36O2	283.2662	5.145
PE O-18:0/20:4	C43H80NO7P	752.5584	8.646
PC 16:1_22:6	C46H78NO8P	848.5455	6.036
PG 18:0_20:4	C44H79O10P	797.533	7.103
PE 18:0_20:2	C43H82NO8P	770.5689	8.988
PC 15:0_22:6	C45H78NO8P	836.5447	6.297
Cer 18:0;O3/24:1	C42H83NO4	710.6292	10.111
PG 22:4_22:6	C50H79O10P	869.5335	5.55
PC 18:0_20:1	C46H90NO8P	860.6421	9.447
PE 19:0_18:2	C42H80NO8P	756.554	8.669
HexCer 18:1;O2/23:0	C47H91NO8	842.6713	10.182
LPC 18:1	C26H52NO7P	566.346	2.417
PG 20:3_22:6	C48H77O10P	843.5164	5.338
PC 16:1_20:4	C44H78NO8P	824.5433	6.232
PE 16:0_20:4	C41H74NO8P	738.5098	7.2
PE 16:1_22:6	C43H72NO8P	760.4931	6.202
PS 20:2_20:4	C46H78NO10P	834.5259	8.095
PE O-18:0/18:2	C41H80NO7P	728.5585	8.802
PE 18:1_18:2	C41H76NO8P	740.5233	7.441
HexCer 42:1;O2	C48H93NO8	856.6872	10.583
PE 18:1_20:3	C43H78NO8P	766.538	7.697
PI 18:0_22:6	C49H83O13P	909.5479	6.674
Cer 18:2;O2/22:0	C40H77NO3	664.59	9.866
SM 41:1;O2	C46H93N2O6P	845.6764	9.879
PG 18:1_22:6	C46H77O10P	819.5175	5.656
Cer 18:2;O2/23:0	C41H79NO3	678.6042	10.325
PC 20:3_22:6	C50H82NO8P	900.5749	6.365
PE 20:3_22:5	C47H78NO8P	814.5393	6.852
PC 18:0_20:4	C46H84NO8P	854.5944	7.834
PI 18:0_22:3	C49H89O13P	915.598	6.65
PE 18:0_22:6	C45H78NO8P	790.5411	7.871
PC O-16:1/22:5	C46H82NO7P	836.5807	7.441
PC 18:0_20:3	C46H86NO8P	856.6076	8.207
PC O-18:1/20:4	C46H84NO7P	838.5948	8.226
PG 16:0_22:6	C44H75O10P	793.5011	6.064
PE 39:4	C44H80NO8P	780.5539	8.288
METABOLITES_END
#END