#METABOLOMICS WORKBENCH rkuna_20240805_112025 DATATRACK_ID:5082 STUDY_ID:ST003376 ANALYSIS_ID:AN005528 PROJECT_ID:PR002094
VERSION             	1
CREATED_ON             	August 6, 2024, 9:58 am
#PROJECT
PR:PROJECT_TITLE                 	Bempedoic acid suppresses diet-induced hepatic steatosis independent of ACLY
PR:PROJECT_SUMMARY               	ATP citrate lyase (ACLY) synthesizes acetyl-CoA for de novo lipogenesis (DNL),
PR:PROJECT_SUMMARY               	which is elevated in metabolic dysfunction-associated steatotic liver disease.
PR:PROJECT_SUMMARY               	Hepatic ACLY is inhibited by the LDL-cholesterol lowering drug bempedoic acid
PR:PROJECT_SUMMARY               	(BPA), which also improves steatosis in mice. Indeed, BPA potently suppresses
PR:PROJECT_SUMMARY               	hepatic DNL and increases fat catabolism. However, it is unclear if ACLY is the
PR:PROJECT_SUMMARY               	relevant molecular target in reducing liver triglyceride, particularly since the
PR:PROJECT_SUMMARY               	acetyl-CoA synthetase ACSS2 can compensate for ACLY deficiency to provision
PR:PROJECT_SUMMARY               	acetyl-CoA for DNL. We show that on a Western diet, loss of hepatic ACLY alone
PR:PROJECT_SUMMARY               	or ACLY and ACSS2 together unexpectedly exacerbates steatosis, linked to reduced
PR:PROJECT_SUMMARY               	hepatic abundance of endogenous PPAR ligands and lower expression of PPAR
PR:PROJECT_SUMMARY               	target genes controlling fatty acid oxidation. Importantly, BPA treatment
PR:PROJECT_SUMMARY               	ameliorates WD-mediated triglyceride accumulation in both WT and liver ACLY
PR:PROJECT_SUMMARY               	knockout mice, indicating that its primary effects on hepatic lipid metabolism
PR:PROJECT_SUMMARY               	are independent of ACLY. Together, these data indicate that hepatic ACLY plays
PR:PROJECT_SUMMARY               	an unexpected role in restraining diet-dependent lipid accumulation, and that
PR:PROJECT_SUMMARY               	BPA improves steatosis independent of ACLY.
PR:INSTITUTE                     	Salk Institute for Biological Studies
PR:DEPARTMENT                    	Molecular and Cell Biology Laboratory
PR:LABORATORY                    	Metallo Lab
PR:LAST_NAME                     	Kuna
PR:FIRST_NAME                    	Ramya
PR:ADDRESS                       	10010 N Torrey Pines Rd, La Jolla, California, 92037, USA
PR:EMAIL                         	rkuna@salk.edu
PR:PHONE                         	8582038321
#STUDY
ST:STUDY_TITLE                   	Bempedoic acid improves diet-induced steatosis independent of hepatic ACLY
ST:STUDY_SUMMARY                 	To test the effect of BPA on hepatic steatosis, we placed WT and LAKO mice on WD
ST:STUDY_SUMMARY                 	for 6 weeks, with 10 mg/kg BPA daily oral gavage over the last 3 weeks, a dose
ST:STUDY_SUMMARY                 	previously shown to be effective in reducing steatosis. Quantification of lipids
ST:STUDY_SUMMARY                 	by mass spectrometry demonstrated that ACLY deficiency increased abundance of
ST:STUDY_SUMMARY                 	TAGs and DAGs, while BPA treatment reduced these lipids in both genotypes.
ST:STUDY_SUMMARY                 	Moreover, ACLY deficiency reduced phospholipid (PC and PE) abundance.
ST:INSTITUTE                     	Salk Institute for Biological Studies
ST:LAST_NAME                     	KUNA
ST:FIRST_NAME                    	RAMYA
ST:ADDRESS                       	10010 N Torrey Pines Rd, La Jolla, California, 92037, USA
ST:EMAIL                         	rkuna@salk.edu
ST:PHONE                         	8584534100
#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           	-	Alb_1974_1_WT Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1974_1.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1978_5_WT Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1978_5.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1983_10_WT Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1983_10.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1996_23_WT Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1996_23.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_3703_25_WT Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-3703_25.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1976_3_WT BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1976_3.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1982_9_WT BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1982_9.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1988_15_WT BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1988_15.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1991_18_WT BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1991_18.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1995_22_WT BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1995_22.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1997_24_WT BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1997_24.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1975_2_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1975_2.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1979_6_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1979_6.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1980_7_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1980_7.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1985_12_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1985_12.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1987_14_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1987_14.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1992_19_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1992_19.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1993_20_KO Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	RAW_FILE_NAME(Raw file name)=Alb-1993_20.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1977_4_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1977_4.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1981_8_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1981_8.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1984_11_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1984_11.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1986_13_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1986_13.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1989_16_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1989_16.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1990_17_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1990_17.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Alb_1994_21_KO BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	RAW_FILE_NAME(Raw file name)=Alb-1994_21.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	Liver samples were collected using Wollenberger clamps pre-cooled to the
CO:COLLECTION_SUMMARY            	temperature of liquid nitrogen and stored at -80 C until analysis.
CO:SAMPLE_TYPE                   	Liver
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	BPA(Bempedoic acid) was first prepared as a disodium salt aqueous solution by
TR:TREATMENT_SUMMARY             	making a 2:1 molar ratio of NaOH to BPA in water. While stirring,
TR:TREATMENT_SUMMARY             	carboxymethylcellulose (Sigma-Aldrich C5678) was added at a final concentration
TR:TREATMENT_SUMMARY             	of 0.5% w/v. Tween-20 was added at a final concentration of 0.025%. pH was
TR:TREATMENT_SUMMARY             	measured and adjusted with HCl to pH 7. Vehicle solution was prepared with the
TR:TREATMENT_SUMMARY             	same method, excluding BPA. BPA or vehicle was administered to mice daily in the
TR:TREATMENT_SUMMARY             	morning by oral gavage at either 10 or 30 mg/kg body weight or equivalent
TR:TREATMENT_SUMMARY             	vehicle volume for indicated lengths of time. The last dose of BPA was
TR:TREATMENT_SUMMARY             	administered 2-4 hours prior to tissue collection.
TR:TREATMENT_COMPOUND            	BPA
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were extracted with 400 ul of methanol (-20 C), 100 ul of water
SP:SAMPLEPREP_SUMMARY            	(ice-cold), 400 saline (ice-cold), and 1000 ul of chloroform (-20 C).
SP:PROCESSING_STORAGE_CONDITIONS 	Room temperature
SP:EXTRACT_STORAGE               	4℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	30% to 43% B from 3-8 min, then from 43% to 50% B from 8-9 min, then 50-90% B
CH:CHROMATOGRAPHY_SUMMARY        	from 9-18 min, then 90-99% B from 18-26 min, then held at 99% B from 26-30 min,
CH:CHROMATOGRAPHY_SUMMARY        	before returning to 30% B in 6 min and held for a further 4 min
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Thermo Accucore C30 (150 x 2.1mm,2.6um)
CH:SOLVENT_A                     	40% water/60% acetonitrile; 0.1% formic acid; 10 mM ammonium formate
CH:SOLVENT_B                     	90% isopropanol/10% acetonitrile; 0.1% formic acid; 10 mM ammonium formate
CH:FLOW_GRADIENT                 	0 min, 30% B; 3 min, 30% B; 8 min, 43% B; 9 min, 50% B; 18 min, 90% B; 26 min,
CH:FLOW_GRADIENT                 	99% B; 30 min, 99%B; 36 min, 30% B
CH:FLOW_RATE                     	0.2 ml/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Ion trap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	El-MAVEN
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	relative abundance per mg tissue
MS_METABOLITE_DATA_START
Samples	Alb_1974_1_WT Vehicle	Alb_1978_5_WT Vehicle	Alb_1983_10_WT Vehicle	Alb_1996_23_WT Vehicle	Alb_3703_25_WT Vehicle	Alb_1976_3_WT BPA	Alb_1982_9_WT BPA	Alb_1988_15_WT BPA	Alb_1991_18_WT BPA	Alb_1995_22_WT BPA	Alb_1997_24_WT BPA	Alb_1975_2_KO Vehicle	Alb_1979_6_KO Vehicle	Alb_1980_7_KO Vehicle	Alb_1985_12_KO Vehicle	Alb_1987_14_KO Vehicle	Alb_1992_19_KO Vehicle	Alb_1993_20_KO Vehicle	Alb_1977_4_KO BPA	Alb_1981_8_KO BPA	Alb_1984_11_KO BPA	Alb_1986_13_KO BPA	Alb_1989_16_KO BPA	Alb_1990_17_KO BPA	Alb_1994_21_KO BPA
Factors	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	Genotype:Wild-type | Sample source:Liver | Group:Vehicle	Genotype:Wild-type | Sample source:Liver | Group:BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	Genotype:Wild-type | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:Vehicle	Genotype:LACLYKO | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA	Genotype:LACLYKO | Sample source:Liver | Group:BPA
PC 32:0	0.871324126	1.131247135	0.574811199	0.9164078	1.5689962	0.885264568	0.712973223	1.87065931	0.563571473	0.815471406	0.920021008	0.3205575	0.479615764	0.565362773	0.887218812	0.706514896	0.813457663	0.651407984	1.283069485	1.048214151	0.852969804	1.15990985	0.665009442	0.757742882	0.686920219
PC 32:1	3.547639686	4.702321327	5.187343448	3.396798068	6.980209044	5.240086745	3.149629612	7.484398932	4.889056961	4.411883905	2.715741809	3.047831179	3.358407981	4.274382946	7.402439621	2.785547721	4.27132546	2.521992979	6.45003426	8.854828401	5.39460039	6.878157507	5.916768988	4.696299806	6.220827268
PC 32:2	0.910287144	1.03239976	1.936725143	1.722422965	1.015428274	0.53128978	1.012444607	0.408130921	1.133117684	0.649778288	1.098669096	2.656268823	1.18861108	0.403756908	1.907706298	0.89968407	0.606107785	0.801414139	1.689040579	1.322164236	1.470672269	1.43892164	0.826500524	1.615989407	0.961754698
PC 33:1	1.578760265	1.710065032	2.400836874	1.764982359	1.868087242	2.294911984	1.542446805	1.926352851	2.117499698	1.472776214	1.582983246	1.689095353	1.296275628	2.056701555	2.126931734	1.453234761	2.354566776	1.030629241	2.07488293	2.689834638	2.252873649	2.188194316	2.450748498	2.004697591	2.453777321
PC 34:0	0.605192266	0.625031314	0.588021142	0.564066413	0.291694156	0.876154267	0.579098552	0.453026552	0.501849148	0.539199684	0.650883184	0.604117621	0.403417463	0.557647194	0.61083667	0.433108398	0.747296398	0.283184758	0.807598637	0.640964779	0.550933049	0.674075952	0.763416634	0.76890397	0.822220436
PC 34:1	10.11206829	11.1440893	7.771693419	8.265191654	26.90134811	11.90714765	7.416296922	23.88835367	12.48430917	9.430610862	11.18940268	5.058727327	4.797315006	7.868700583	11.42116962	6.227065139	9.866016179	6.515989544	11.49379446	18.13909589	12.28654011	15.88432235	9.019786244	8.689164269	7.51284169
PC 34:2	12.47664677	14.26279207	5.903104525	5.833045853	22.63581579	15.49503114	9.238583901	23.28974959	8.603829646	17.68675094	6.716169378	4.347488914	7.324190111	9.34043285	13.3122948	5.08569937	6.610544623	2.901680622	16.14884804	4.962241688	16.05380188	20.2033373	8.249673293	8.729550749	8.572724303
PC 35:1	9.066921677	9.726976831	3.234470887	3.279272593	12.06816768	11.13590056	5.084924761	15.05654122	4.04799723	12.08192186	3.344650354	2.341605629	5.5432758	6.238259294	9.071742703	3.364015865	3.962427302	1.232549003	10.75162368	6.161572952	11.24868235	13.27810109	4.332468533	4.186505617	4.34173453
PC 36:1	5.763730647	6.509996324	6.265277193	6.282310567	4.106220735	6.086854776	6.768898944	4.084799951	5.051599794	3.382965294	4.720978791	5.769487907	4.882733778	5.995617618	4.594660001	5.336949588	7.215172479	3.35584587	3.625017917	2.345631868	3.336998793	3.875072871	5.028066333	4.922335092	7.44067594
PC 36:2	15.28141616	16.51450377	8.004827205	13.89089351	15.27696995	14.7034811	9.688590316	13.27520154	12.82093643	12.87985361	10.65705671	7.002435315	7.12066088	7.943533469	13.95004827	7.408161106	9.734004761	8.622152583	11.7251863	10.27196359	10.73697895	15.1987605	7.826194419	6.736953119	13.94478699
PC 36:3	3.422061539	3.542089849	2.080933606	3.35731161	3.725959777	3.534841068	3.752434739	3.556198155	3.421618924	3.37039434	2.784145284	1.75129449	1.670063888	2.020957639	2.724099412	2.291491296	3.031781846	1.328034439	2.431556143	2.609618472	2.862790753	3.519304355	2.600866198	2.356334694	1.625931792
PC 36:4	7.110250627	6.959558774	5.465630726	6.690507527	13.80785789	8.077655298	8.852698279	11.80669432	8.684581488	7.488934893	7.566922345	2.492764398	2.804405471	4.497161182	5.162694283	4.571535124	7.603109124	3.119692977	6.451293307	9.334861	8.679433617	9.717902082	6.853915611	7.033978518	6.126886763
PC 38:1	0.245509932	0.264180806	0.69689273	0.30968424	0.091392913	0.2198573	0.346048034	0.186291753	0.377092954	0.169786093	0.233991064	0.58922416	0.148634671	0.663619372	0.50080201	0.161568224	0.589021299	0.100354579	0.123358642	0.324712477	0.370383801	0.317461399	0.259717975	0.472050612	0.750627712
PC 38:2	0.134477214	0.092280693	0.70286105	0.517593498	0.017408299	0.383537759	0.979761569	0.120390467	0.600142849	0.082066844	0.338798757	0.288573055	0.256887315	0.711097215	0.265743026	0.287702075	0.849874173	0.14071523	0.127740547	0.102343283	0.085898471	0.127263738	0.162698203	0.227690667	0.908532279
PC 38:5	7.349055262	6.587122217	5.597225992	6.689465582	6.765352193	6.815098171	6.20999183	1.130664091	6.448079368	7.28328571	5.658173661	4.43212686	4.636271552	6.049029307	7.228402535	4.609791183	7.303769833	3.974296182	5.779939732	6.442929284	6.559774534	7.709053923	5.791888248	6.558831648	8.222609815
PC 38:6	6.70764498	5.868794269	5.221480217	7.021968361	13.63733259	7.598437011	7.762781376	9.655348144	8.11306684	4.249883665	6.902724153	1.960192498	2.731000386	4.771415855	4.2868753	4.164403103	8.378574131	3.739436249	5.472963186	7.420375727	7.712996931	8.173121955	7.031491132	6.641860118	4.326258973
PC 38:7	11.83771674	10.55098963	9.726954146	11.95600314	4.280153473	14.98507412	17.1403278	11.36248005	13.62361718	12.29176933	11.14661489	4.042494939	5.510002728	8.321767361	7.78707632	7.369834801	12.94766621	5.529913585	12.98740341	13.79072124	13.4837067	15.61251695	12.89302021	15.17535167	10.49562357
PC 40:2	0.015733031	0.009733621	0.056212154	0.02164057	0.005735415	0.032531628	0.035837208	0.003253985	0.038752989	0.015514609	0.014948643	0.007077826	0.015487298	0.030933029	0.037345525	0.016275265	0.037130489	0.00726244	0.011876773	0.012110973	0.023947079	0.011965894	0.014268001	0.040916842	0.028610916
PC 40:6	4.852149624	4.174083203	2.424871032	4.358530633	4.604092901	2.225239977	3.32896413	3.622701078	1.805793848	2.003499168	2.105819252	1.515019732	2.721053492	2.905121281	3.712873364	2.659572992	3.631732573	2.684485069	1.740809069	1.24591373	1.411885052	3.074943186	2.192091086	1.704513799	1.98665166
PC 40:7	3.727774975	3.657379297	2.880364621	3.876838768	2.217803203	3.465227359	3.929574588	1.100347863	2.966403471	1.990977434	2.379817548	2.26379586	2.704904492	2.846171834	3.260887558	2.424456813	3.501620519	1.817002801	1.867537963	0.879096243	1.977534865	3.083680257	3.185015832	2.882301342	2.495447181
PC 40:8	2.502284547	2.545719321	3.073722606	2.991905609	1.367759401	3.3711846	3.797225749	0.317042438	2.541232793	1.854283977	2.039130348	2.083288305	1.657508757	2.146042231	2.468399762	1.791314402	3.055239428	1.0972902	1.51590621	0.2818951	1.722332468	2.403770615	2.575891391	2.729459387	2.469363884
PC 40:9	0.354712403	0.26272642	0.592247217	0.600045267	0.298822445	0.276666994	0.834168232	0.101605945	0.025066407	0.298788469	0.089400863	0.065113894	0.044789075	0.157060849	0.29890004	0.233684318	0.26417326	0.090307262	0.063035046	0.096107135	0.050355133	0.101967397	0.125544847	0.3537667	0.197251002
PC 42:7	0.05823633	0.081480029	0.185895005	0.08131685	0.074071691	0.151265853	0.13071734	0.110727945	0.208349892	0.190656055	0.088107714	0.096807304	0.027693633	0.125804556	0.210117326	0.030385626	0.158498209	0.02538123	0.062185863	0.117048056	0.127550648	0.066763044	0.067010066	0.127882741	0.112887187
PC 42:8	0.029110638	0.033707954	0.04649475	0.030841571	0.01666731	0.068364798	0.044879223	0.009183166	0.049667643	0.022502008	0.024275316	0.025683045	0.021543148	0.028759342	0.036457842	0.01627145	0.053792953	0.00656081	0.01170183	0.030445014	0.030540949	0.028029799	0.029617569	0.045517685	0.02763032
PC 42:9	0.154271747	0.113956901	0.210956632	0.139759024	0.048818475	0.149440077	0.112821958	0.018023946	0.123136874	0.045212392	0.044207675	0.05366694	0.070953542	0.107950514	0.073206512	0.092436696	0.266179434	0.042498464	0.085323464	0.068335264	0.065405528	0.05110278	0.086428209	0.085207868	0.079267124
PC 42:11	0.117411166	0.084968996	0.153982884	0.091633286	0.024457516	0.153076213	0.136638018	0.028217952	0.097619154	0.03274096	0.046365414	0.045949404	0.05278846	0.075883535	0.052340276	0.06251126	0.172156848	0.025648945	0.058750945	0.054325482	0.065571896	0.050994095	0.098872766	0.006966228	0.053403519
PC 44:12	0.050185573	0.037974013	0.077467813	0.033522187	0.012148579	0.063992518	0.043752121	0.01334105	0.047605217	0.00352211	0.006672398	0.010273782	0.013331659	0.022951014	0.011947797	0.015028011	0.082624211	0.005194915	0.018022218	0.016179594	0.023449137	0.005939856	0.042271312	0.063261434	0.014241026
PE 38:7	0.254359315	0.181119527	0.283673643	0.339299333	0.408309833	0.298981224	0.1928171	0.103264081	0.13959888	0.1719817	0.348156504	0.049955388	0.097206116	0.202181694	0.199329346	0.162503127	0.421399014	0.181861114	0.402254365	0.43942285	0.120574804	0.35394872	0.147865687	0.137196252	0.346374885
PE 36:6	0.014476146	0.009860099	0.040413445	0.015923039	0.016322189	0.016983777	0.011352938	0.011487661	0.019670446	0.010669722	0.010716204	0.005741714	0.012564688	0.013786117	0.013404643	0.003549461	0.018980591	0.010104499	0.029927785	0.031861519	0.029080002	0.018610423	0.031606752	0.031100259	0.047903544
PE 32:1	0.091217035	0.094874112	0.148344818	0.069052413	0.278705684	0.111728845	0.047726844	0.117769778	0.098130209	0.085153223	0.082823128	0.083578267	0.093143612	0.092307174	0.162729205	0.060350054	0.073258009	0.076828314	0.180835345	0.220650656	0.145088256	0.10760867	0.104222305	0.068242539	0.21970274
PE 34:4	1.11507925	1.15646194	1.135668503	1.022418271	1.218349466	1.494774241	0.736129625	1.43141675	0.994928792	1.305702573	0.957828359	0.596417343	0.617926476	0.583260211	0.787630762	0.612924296	0.768612458	0.484492981	0.011119183	1.175227591	0.908011535	1.157287331	0.034976695	0.747465139	1.691173191
PE 36:3	1.889693735	2.122927404	1.967038915	1.7401574	2.91518437	1.880721372	1.249125787	2.64992486	1.455127508	2.190070651	1.352990855	1.092138964	1.114531279	1.048960957	1.461412946	1.112514668	1.366150816	0.943184788	2.085717235	2.286043541	1.368305775	2.108967604	1.351176165	0.948003177	2.625349787
PE 36:4	4.142388321	4.033781648	3.552002573	3.379854047	8.626248771	3.979105876	3.141049543	7.856071391	4.851975617	6.03345017	4.268742445	2.136306386	2.900344551	3.029836838	5.434429903	2.511865132	3.437346356	2.9212823	4.587965273	7.00608064	5.31617204	5.922307691	3.363893847	3.728837463	4.842099939
PE 38:3	7.463317066	7.945388243	5.682873115	6.489474759	9.783497801	5.456562682	5.325330739	5.958336503	5.196867793	8.807394828	5.668458554	2.519160761	3.322892265	3.69548151	5.728472371	4.48303321	5.353106149	3.869154996	5.192623985	5.330995828	5.341047654	6.113315073	4.113615282	4.788339588	6.099362332
PE 38:4	5.253434318	5.848234905	4.904642222	4.61763994	13.74564268	3.637661943	3.450169655	6.125587521	4.533885121	6.299768587	4.186850257	2.102868684	2.09157641	3.092771567	5.628133065	3.575057669	5.079300679	3.456288343	4.048242692	5.167309859	5.068517468	4.827911604	3.170178477	3.897220863	4.058277335
PE 38:5	5.69383414	5.327931761	3.496095106	4.147320605	6.29889257	5.312548432	2.964549843	6.225126119	3.935802413	5.882827016	5.249763875	2.394501382	2.981102588	3.130972371	4.461660874	2.70787897	3.941933091	2.912932015	4.440948115	6.153184924	4.554065168	6.809990139	3.395400361	2.739456942	4.272064771
PE 38:6	7.828042573	8.470346724	3.970784388	6.263266408	17.18289047	6.395661473	3.576607058	14.20776347	4.819187862	8.052213949	6.60329662	1.4384053	3.584780088	3.621018727	5.191886846	3.959807248	4.451193889	4.540112303	6.157470522	7.837225617	4.947317652	8.857586	4.420562393	2.865245232	3.710159027
PE 40:6	1.630910281	1.758256469	0.841975703	1.389301491	4.529543017	1.155325895	0.994233764	1.954847043	0.835900405	1.198446003	1.115902418	0.192570793	0.62046595	0.546099634	0.852706439	0.827451297	0.79397733	0.867402	0.869583873	0.756667999	0.549934243	1.104302822	0.89119492	0.493765071	0.900465151
PE 40:7	2.104855516	2.290335126	1.44990806	1.857034315	3.304837012	2.75386716	0.776772525	1.351445063	1.628049839	2.197278219	2.310644358	0.859527914	1.128867995	0.866320373	1.484607669	1.288851121	1.530059465	0.962317101	1.236834922	1.976483401	1.622249133	2.49075124	1.037148052	0.758948296	1.37442403
PE 40:8	0.075437279	0.046463373	0.042766715	0.044323282	0.245695834	0.087333316	0.066235435	0.191058925	0.12532353	0.065293163	0.130757994	0.038559926	0.06614887	0.057064436	0.057696074	0.054604172	0.155436194	0.032396536	0.167473451	0.139568189	0.035921318	0.117657413	0.165315902	0.029134534	0.086781414
DG 42:7	0.088175389	0.040507281	0.14441337	0.122901137	0.230365575	0.097653018	0.079711709	0.073851153	0.223877046	0.023384588	0.164258507	0.035823005	0.047302072	0.176674413	0.053642236	0.248827592	0.285870464	0.430172148	0.030319704	0.072105232	0.380198789	0.041703075	0.149734439	0.075019721	0.036542899
DG 40:8	0.084377466	0.032259438	0.076513312	0.130329388	0.318904631	0.029033544	0.033894188	0.018621145	0.091925913	0.00597664	0.115331457	0.058607597	0.051188736	0.176099217	0.028376284	0.225675506	0.121376711	0.353783569	0.009820826	0.00961496	0.080528168	0.011315516	0.078039097	0.026970876	0.008034992
DG 40:7	0.548395902	0.264035468	0.673369215	0.717393582	1.416949788	0.306303538	0.355752029	0.43941813	0.682716334	0.04364047	0.645935528	0.850688207	0.67377659	1.348775004	0.48076045	2.114215117	1.496323331	2.732807654	0.102206268	0.148726202	0.624508407	0.2601922	1.013774782	0.284033145	0.10006863
DG 40:5	0.172142703	0.098444832	0.458271973	0.327845495	0.196317232	0.189882053	0.253430046	0.133399792	0.389750323	0.029798649	0.268914104	0.443459408	0.270175677	0.817178444	0.212455562	1.046007526	0.775006847	0.919540728	0.037318925	0.084954713	0.381107959	0.100802253	0.408452684	0.163289424	0.079893833
DG 40:4	0.081976542	0.04926604	0.526731753	0.158370782	0.112882315	0.087004508	0.116045115	0.062514266	0.416804432	0.024387328	0.116055401	0.379311226	0.14121213	0.675820758	0.179731369	0.579676698	0.554977608	0.509354085	0.020622025	0.053037835	0.247729609	0.035454346	0.170018736	0.087045796	0.041875147
DG 40:2	0.105826479	0.082767873	0.375059382	0.120932267	0.250568221	0.034304142	0.031634695	0.101755696	0.292327986	0.014076722	0.102510828	0.751995799	0.553814042	1.236027303	0.648057595	0.958155493	0.480789477	2.465888033	0.023029901	0.046409588	0.185683528	0.057263457	0.200968556	0.053005811	0.01472949
DG 38:7	0.101821313	0.092276637	0.126713805	0.116648096	0.374747068	0.020989076	0.01547014	0.134401021	0.081840469	0.007518951	0.101572723	0.641699956	0.646250987	1.160304148	0.71049813	1.127082025	0.334268891	3.337845892	0.019625776	0.026321256	0.106927714	0.06625174	0.199905265	0.029273534	0.00561226
DG 38:6	1.103262055	0.782695737	1.635456763	1.534315198	1.235430914	0.573191807	0.754180467	1.191201673	1.749328821	0.079519794	1.470426464	4.035895974	4.256596227	7.727245986	3.329249508	10.64797102	4.008185082	21.66101521	0.378787238	0.444775814	1.924968368	0.807188881	4.823324994	0.867248947	0.163511121
DG 38:5	0.825136351	0.612144721	2.766537386	1.518447229	0.993170392	0.730745979	1.128520324	0.680046889	1.836906272	0.053366534	1.209936778	4.286210965	2.439408857	5.65664313	2.336488624	6.314532022	3.849583431	8.05488725	0.247480945	0.341400915	1.684814574	0.531459206	2.900703764	0.748116476	0.20260184
DG 38:2	1.520504683	1.321671168	6.740840604	2.772782493	0.952486443	1.82425114	2.100551827	1.019877291	5.017671475	0.105549484	1.502141569	8.488899598	3.149847491	11.74172797	3.253472691	10.03500801	7.806467254	11.54350765	0.243443645	0.5062068	2.51485618	0.369160704	2.690740628	0.898142047	0.280648159
DG 36:5	0.706712053	0.445272313	0.981595751	0.879954172	0.595494882	0.381770499	0.45730568	0.596048677	1.382088752	0.07328782	1.012346719	2.225468972	2.045833697	3.397407365	1.988822733	4.511858799	1.926113123	6.040711239	0.379358698	0.405637819	1.51949254	0.559636103	2.799753673	0.721662971	0.144463436
DG 36:4	5.08024717	3.828956638	9.826508943	7.522947249	5.408305218	3.735987583	3.47685608	4.445118193	7.146642447	0.446545349	5.923581668	13.70467735	10.63295747	21.37665172	9.519412359	28.12892554	14.12913618	51.8540389	1.58495963	1.804287544	7.15559907	3.045380268	13.92591442	2.805556077	0.793248764
DG 36:3	27.21999166	23.22289346	49.86012475	41.55595391	19.30365359	17.80494034	17.50763869	17.8737115	24.76396609	1.364016135	21.35161423	83.01240696	64.11562112	95.17387282	40.34860703	129.8830429	52.56597127	221.2018914	5.57786567	6.020201419	20.79622079	11.73636683	47.26299682	10.10461595	3.836611838
DG 36:2	22.53802382	18.19643556	38.17008068	31.4182349	20.40273997	12.13043894	11.12758078	16.00223808	18.24222	0.712405205	15.81923359	67.07349061	55.98079309	81.63790008	34.82198694	129.6836821	42.31262899	230.1150483	4.007880783	4.305588731	15.14949209	7.917513275	37.76653147	5.827545378	2.24301529
DG 36:1	2.12567977	1.489794562	4.009098041	3.041649224	1.54462434	1.062934373	1.162276955	1.022333565	1.698892326	0.073118263	1.181403286	8.991125528	8.18365559	9.548817457	4.249783096	21.06511898	4.609539614	32.18596502	0.376453005	0.372212314	1.506230801	0.569498364	4.045285822	0.520813157	0.19039744
DG 34:3	2.580375388	1.926710344	11.79040726	3.721124487	3.204030663	2.022341423	1.437083463	2.866067431	3.807257814	0.151442419	2.558148395	49.42387387	34.54993736	52.93383639	17.52116155	26.40059368	8.245336256	113.0706612	1.10534085	1.319453075	4.942096242	1.884869993	8.824970368	1.70014972	0.493847762
DG 34:2	12.37845252	10.60159886	31.97159028	16.77064056	10.21630638	7.581495272	6.883797816	10.17856331	14.08128497	0.670902258	10.39888768	107.7061267	87.16814914	128.4959524	49.82981479	93.81071831	28.7520519	310.6970381	4.10180205	4.844857336	15.5483784	6.730575244	31.06895741	6.078515294	1.814385549
DG 34:1	15.95358932	13.97002972	25.12118294	20.22144155	13.89375828	7.913262277	8.009586801	12.10466383	16.04405594	0.722470218	12.11386191	57.25825287	58.84568191	77.43768547	44.57008355	95.98234354	30.80383721	208.4072469	4.437685145	5.47145483	15.60035973	7.210997659	35.95507606	6.044870038	1.835402695
DG 32:2	0.959134813	0.817259077	3.683330811	1.171782005	1.647282784	0.535869751	0.334952867	1.037700782	1.49469417	0.05874533	0.724081956	12.05354747	7.076895314	14.13672655	6.541112418	8.068026947	3.441484404	27.87492339	0.480909419	0.606487412	2.221708621	0.67693476	3.909456387	0.569170439	0.160238175
DG 32:0	0.726095374	0.64560362	1.055962861	0.863948498	0.709137906	0.33021695	0.27264461	0.511828581	0.598446169	0.032972984	0.499699259	1.930249031	2.401391424	3.496991849	2.446489687	4.691328542	1.496556828	11.13719003	0.245851439	0.257362147	0.755456672	0.283288421	1.665061624	0.220205046	0.080571151
DG 30:2	0.124046484	0.105598155	0.321894537	0.107895624	0.057342005	0.057150396	0.031647388	0.025784331	0.077577485	0.003322576	0.031558621	0.255472695	0.256792386	0.526573751	0.172989377	0.247800333	0.240856236	0.533645378	0.029546976	0.033646066	0.099353096	0.029102364	0.15368776	0.043303377	0.009029449
TAG 42:0	0.110883733	0.076556301	0.230654932	0.32227553	0.052618581	0.099891335	0.069365156	0.06192881	0.207644328	0.003695059	0.179104201	0.237660781	0.395839166	0.553286255	0.111731931	0.514271265	0.19808365	1.242577402	0.06066613	0.166179326	0.573722321	0.07642686	0.582032245	0.061146899	0.021449354
TAG 43:1	0.246344784	0.221893642	0.444216446	0.513389378	0.133036798	0.193664636	0.126394851	0.131982972	0.389543757	0.008286379	0.29172349	0.487465662	0.643267088	1.171813699	0.326368174	0.701079188	0.360958478	1.458492221	0.12246434	0.266580518	0.689082649	0.135687741	1.109646015	0.098155629	0.032692646
TAG 44:0	0.264122813	0.243764755	0.387525859	0.454730142	0.204474514	0.184790349	0.109801315	0.107461435	0.290403999	0.010015813	0.265848352	0.293660571	0.424036185	0.677073277	0.355705115	0.588298945	0.300989677	1.421134677	0.123511558	0.32731499	0.733404578	0.131262282	0.625928562	0.070562467	0.041195153
TAG 44:1	2.392032211	1.715322492	5.215625719	6.166491006	1.272125674	1.527555646	1.368644365	1.456963105	4.039786844	0.048598777	2.92451598	7.878032887	9.400525296	16.53585578	3.952945331	8.399084877	4.420269007	18.38774731	0.966755139	1.991906688	5.587860101	1.115186298	8.2181	1.366475765	0.240734295
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TAG 56:8	1.509817087	0.309115931	1.668787817	3.03117825	3.22612471	0.44950322	0.580650059	0.196893042	1.334968905	0.025346182	2.515986309	1.161382518	0.861804383	2.272366834	0.535610854	2.434629078	3.768370583	3.374374737	0.102640403	0.150111457	0.880554339	0.365224723	0.746878334	0.370028527	0.11064084
TAG 56:9	0.287346344	0.047089639	0.414156672	0.49535223	0.547051775	0.056500462	0.056997207	0.044912832	0.205126024	0.002054068	0.291327424	0.183742042	0.136869741	0.629208274	0.151362938	0.630915217	0.98781874	0.600536579	0.014063544	0.02633374	0.175465827	0.047821266	0.098839284	0.067675697	0.012714467
TAG 57:8	0.169906504	0.005221556	0.109222939	0.209453251	0.233417223	0.036264575	0.030588855	0.004259518	0.084179003	0.001895194	0.083255924	0.039487617	0.069234319	0.099715229	0.060521463	0.075485693	0.357493642	0.215514417	0.005896952	0.008499079	0.043138256	0.044754971	0.072935277	0.023967991	0.008102363
TAG 58:2	0.234677014	0.123368143	2.845550119	0.666572246	0.45245706	0.662380597	0.364159283	0.116027682	3.845567751	0.127778032	1.041455747	0.901689913	0.111538944	1.089948833	0.41429835	0.31400677	2.466831928	0.353534927	0.081833253	0.334830943	1.357965328	0.069616736	0.217750885	0.517109543	0.106312797
TAG 58:3	0.18786165	0.097531366	2.391842721	0.485935977	0.503843463	0.504481634	0.270778429	0.109978883	3.455029351	0.087851936	0.827449322	0.759361808	0.09990738	0.947715458	0.346987013	0.279621477	2.013402517	0.313019122	0.066216623	0.262319805	1.075761796	0.05884358	0.202350182	0.414919428	0.073750383
TAG 60:3	0.010882268	0.003685249	0.233650452	0.034687688	0.019595714	0.046547695	0.028398915	0.003508107	0.49279552	0.006308958	0.081960838	0.03268042	0.003792288	0.04767234	0.009000898	0.024575067	0.177383331	0.048628879	0.006874147	0.024729957	0.101856479	0.006833903	0.01366602	0.036477293	0.012209375
TAG 60:5	0.020485998	0.003529328	0.020424212	0.010252771	0.025473056	0.031646211	0.011884144	0.001336024	0.103816127	0.004877573	0.059237432	0.004256601	0.002301983	0.041037663	0.017412992	0.020867703	0.19571273	0.007327039	0.002403448	0.016872125	0.059736039	0.007114093	0.00539299	0.008851193	0.003817206
TAG 60:11	0.246218673	0.149075418	0.219327176	0.486455846	0.271820091	0.119482258	0.125634648	0.080309968	0.180730274	0.011332887	0.351354046	0.095160409	0.194638058	0.298742551	0.103172548	0.651325383	0.409038325	0.662110817	0.028148057	0.042196703	0.12753311	0.076125088	0.311795158	0.092529319	0.030570152
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z
PC 32:0	734.5704
PC 32:1	732.5546
PC 32:2	730.5356
PC 33:1	746.5685
PC 34:0	762.6011
PC 34:1	760.586
PC 34:2	758.5704
PC 35:1	774.5999
PC 36:1	788.6172
PC 36:2	786.6018
PC 36:3	784.5859
PC 36:4	782.5701
PC 38:1	816.6466
PC 38:2	814.6334
PC 38:5	808.5853
PC 38:6	806.5699
PC 38:7	804.5544
PC 40:2	842.6628
PC 40:6	834.6016
PC 40:7	832.5853
PC 40:8	830.5697
PC 40:9	828.551
PC 42:7	860.6141
PC 42:8	858.5988
PC 42:9	856.5818
PC 42:11	852.5507
PC 44:12	878.5662
PE 38:7	762.5035
PE 36:6	736.4883
PE 32:1	690.5051
PE 34:4	712.4888
PE 36:3	742.5372
PE 36:4	740.5217
PE 38:3	770.5684
PE 38:4	768.5527
PE 38:5	766.5356
PE 38:6	764.5203
PE 40:6	792.5513
PE 40:7	790.5353
PE 40:8	788.5194
DG 32:0	586.5396
DG 30:2	554.4759
DG 32:2	582.5079
DG 34:1	612.5556
DG 34:2	610.5397
DG 34:3	608.5237
DG 36:1	640.5866
DG 36:2	638.571
DG 36:3	636.5549
DG 36:4	634.5392
DG 36:5	632.5234
DG 38:2	666.602
DG 38:5	660.5549
DG 38:6	658.5391
DG 38:7	656.5235
DG 40:2	694.6329
DG 40:4	690.6019
DG 40:5	688.586
DG 40:7	684.5546
DG 40:8	682.5388
DG 42:7	712.5858
TAG 42:0	740.6741
TAG 43:1	752.6748
TAG 44:0	768.706
TAG 44:1	766.6899
TAG 44:2	764.675
TAG 45:1	780.7057
TAG 45:2	778.6906
TAG 45:3	776.6752
TAG 46:0	796.7373
TAG 46:1	794.7214
TAG 46:2	792.7059
TAG 47:1	808.7371
TAG 47:2	806.7217
TAG 47:3	804.7061
TAG 48:0	824.7692
TAG 48:1	822.7531
TAG 48:2	820.7373
TAG 48:3	818.7214
TAG 49:1	836.7688
TAG 49:2	834.7532
TAG 49:3	832.7371
TAG 50:0	852.7999
TAG 50:1	850.785
TAG 50:2	848.7692
TAG 50:3	846.7527
TAG 50:4	844.7368
TAG 50:5	842.721
TAG 51:1	864.8006
TAG 51:2	862.785
TAG 51:3	860.7684
TAG 52:1	878.8158
TAG 52:2	876.8007
TAG 52:4	872.7678
TAG 52:5	870.7521
TAG 53:2	890.816
TAG 53:3	888.7991
TAG 54:1	906.8475
TAG 54:2	904.8318
TAG 54:4	900.7986
TAG 54:7	894.7523
TAG 54:8	892.7369
TAG 55:3	916.8303
TAG 55:4	914.8143
TAG 55:7	908.7665
TAG 56:2	932.8626
TAG 56:3	930.8467
TAG 56:5	926.8143
TAG 56:6	924.7987
TAG 56:7	922.7836
TAG 56:8	920.7675
TAG 56:9	918.7529
TAG 57:8	934.7823
TAG 58:2	960.8936
TAG 58:3	958.8781
TAG 60:3	986.9095
TAG 60:5	982.8778
TAG 60:11	970.7827
METABOLITES_END
#END