#METABOLOMICS WORKBENCH jcagmat_20250731_145838 DATATRACK_ID:6238 STUDY_ID:ST004118 ANALYSIS_ID:AN006828 PROJECT_ID:PR002572
VERSION             	1
CREATED_ON             	August 15, 2025, 3:33 pm
#PROJECT
PR:PROJECT_TITLE                 	Lipidomics Characterization of the PNPLA3(I148M) Neomorph in Hep3B Cells and
PR:PROJECT_TITLE                 	Plasma VLDL
PR:PROJECT_TYPE                  	Untargeted Lipidomics
PR:PROJECT_SUMMARY               	Lipidomics analysis reveals a central role in PNPLA3-I148M–associated fatty
PR:PROJECT_SUMMARY               	liver disease. Cells expressing the PNPLA3-I148M variant exhibit a distinct
PR:PROJECT_SUMMARY               	lipid profile characterized by an accumulation of polyunsaturated fatty acid
PR:PROJECT_SUMMARY               	(PUFA)-containing triglycerides, alongside a reduction in PUFA-containing
PR:PROJECT_SUMMARY               	phosphatidylcholine. This lipid imbalance leads to decreased membrane fluidity,
PR:PROJECT_SUMMARY               	which disrupts the biogenesis and secretion of very low-density lipoproteins
PR:PROJECT_SUMMARY               	(VLDLs). Untargeted lipidomics identifies a key mechanistic link between the
PR:PROJECT_SUMMARY               	altered lipid composition in I148M cells and impaired apolipoprotein B (ApoB)
PR:PROJECT_SUMMARY               	secretion. The defect in lipid processing and VLDL assembly can be partially
PR:PROJECT_SUMMARY               	reversed by overexpression of ABHD5/CGI-58, highlighting the critical role of
PR:PROJECT_SUMMARY               	CGI-58–dependent lipid remodeling pathways. These findings suggest that
PR:PROJECT_SUMMARY               	PNPLA3-I148M drives fatty liver disease through a neomorphic mechanism that
PR:PROJECT_SUMMARY               	disrupts cellular lipid homeostasis, particularly through alterations in PUFA
PR:PROJECT_SUMMARY               	distribution and impaired lipid secretion.
PR:INSTITUTE                     	Amgen
PR:LAST_NAME                     	Cagmat
PR:FIRST_NAME                    	Joy
PR:ADDRESS                       	750 Gateway Blvd, South San Francisco, CA 94080
PR:EMAIL                         	jcagmat@amgen.com
PR:PHONE                         	352-870-5378
#STUDY
ST:STUDY_TITLE                   	Lipidomics on Hep3B Cells Overexpressing CGI-158 and PNPLA2
ST:STUDY_TYPE                    	Untargeted Lipidomics
ST:STUDY_SUMMARY                 	We have found a decrease in PUFA-containing PC in I148M-expressing Hep3B cells,
ST:STUDY_SUMMARY                 	causing reduced membrane fluidity and therefore, impaired ApoB secretion. It
ST:STUDY_SUMMARY                 	appears that the PUFA’s are sequestered in triglycerides. We also previously
ST:STUDY_SUMMARY                 	found that overexpressing either CGI-58 or PNPLA2 in the I148M-expressing Hep3B
ST:STUDY_SUMMARY                 	cells rescues ApoB secretion. Therefore, we want to see how overexpression of
ST:STUDY_SUMMARY                 	either of these proteins affects the intracellular lipidome.
ST:INSTITUTE                     	Amgen
ST:LAST_NAME                     	Cagmat
ST:FIRST_NAME                    	Joy
ST:ADDRESS                       	750 Gateway Blvd
ST:EMAIL                         	jcagmat@amgen.com
ST:PHONE                         	352-870-5378
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	PNPLA3_followupexpt_1_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:Control	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_1_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_2_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:Control	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_2_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_3_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:Control	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_3_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_4_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:Control	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_4_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_5_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:Control	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_5_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_6_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:Control	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_6_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_7_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:CGI-58 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_7_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_8_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:CGI-58 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_8_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_9_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:CGI-58 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_9_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_10_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:CGI-58 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_10_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_11_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:CGI-58 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_11_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_12_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:CGI-58 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_12_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_13_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:PNPLA2 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_13_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_14_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:PNPLA2 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_14_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_15_Sample	Sample source:Hep3B Cells | Genotype:WT | Treatment:PNPLA2 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_15_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_16_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:PNPLA2 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_16_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_17_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:PNPLA2 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_17_Sample.mzXML
SUBJECT_SAMPLE_FACTORS           	-	PNPLA3_followupexpt_18_Sample	Sample source:Hep3B Cells | Genotype:I148 | Treatment:PNPLA2 overexpressed	RAW_FILE_NAME(Raw File Name)=PNPLA3_followupexpt_18_Sample.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	The generation of paired Hep3B cells (PNPLA3 WT and I148M) was previously
CO:COLLECTION_SUMMARY            	described elsewhere1. PNPLA3 knockout cells were generated by CRISPR gene
CO:COLLECTION_SUMMARY            	editing of parental Hep3B cells at Synthego (Redwood City, CA, USA).
CO:COLLECTION_SUMMARY            	Ribonucleoprotein complexes containing synthetic chemically-modified guide RNA
CO:COLLECTION_SUMMARY            	were electroporated into the cells using EditCo’s optimized protocol. Editing
CO:COLLECTION_SUMMARY            	efficiency was assessed upon recovery, 48 h post-electroporation. Genomic DNA
CO:COLLECTION_SUMMARY            	was extracted from a portion of the cells, PCR-amplified and sequenced using
CO:COLLECTION_SUMMARY            	Sanger sequencing. The resulting chromatograms were processed using EditCo’s
CO:COLLECTION_SUMMARY            	Inference of CRISPR Edits (ICE) software (ice.synthego.com). To create
CO:COLLECTION_SUMMARY            	monoclonal cell populations, edited cell pools were seeded at 1 cell/well using
CO:COLLECTION_SUMMARY            	a single-cell printer into 96- or 384-well plates. All wells were imaged every 3
CO:COLLECTION_SUMMARY            	days to ensure expansion from a single-cell clone. Clonal populations were
CO:COLLECTION_SUMMARY            	screened and identified using the PCR-Sanger-ICE genotyping strategy described
CO:COLLECTION_SUMMARY            	above. CGI-58- and PNPLA2-overexpressing cell lines were generated by
CO:COLLECTION_SUMMARY            	transducing Hep3B WT and I148M cells (250,000 cells/well of a 6-well plate) with
CO:COLLECTION_SUMMARY            	lentivirus, with a multiplicity of infection (MOI) of 10 and 10 µg/mL
CO:COLLECTION_SUMMARY            	polybrene. After 72 h, media was exchanged and cells were allowed to recover.
CO:COLLECTION_SUMMARY            	The following day, media was supplemented with 2 µM puromycin dihydrochloride
CO:COLLECTION_SUMMARY            	for selection. After 2 weeks of selection, cells were allowed to recover and
CO:COLLECTION_SUMMARY            	propagate for use in experiments. 1Sherman, D.J., Liu, L., Mamrosh, J.L., Xie,
CO:COLLECTION_SUMMARY            	J., Ferbas, J., Lomenick, B., Ladinsky, M.S., Verma, R., Rulifson, I.C., and
CO:COLLECTION_SUMMARY            	Deshaies, R.J. (2024). The fatty liver disease–causing protein PNPLA3-I148M
CO:COLLECTION_SUMMARY            	alters lipid droplet–Golgi dynamics. Proceedings of the National Academy of
CO:COLLECTION_SUMMARY            	Sciences 121, e2318619121.
CO:SAMPLE_TYPE                   	Hep3B hepatocellular cancer cell line
#TREATMENT
TR:TREATMENT_SUMMARY             	Six groups of Hep3B cells (WT, WT + CGI-58, WT + PNPLA2, I148M, I148M + CGI-58,
TR:TREATMENT_SUMMARY             	and I148M + PNPLA2) were treated with oleic acid (100 µM) for 24 h. Cells were
TR:TREATMENT_SUMMARY             	seeded at 1,000,000 cells/well (2 mL media) in 6-well plates (EMEM + 10% FBS).
TR:TREATMENT_SUMMARY             	The next day, media was replaced with 2 mL fresh media containing 100 µM oleic
TR:TREATMENT_SUMMARY             	acid (Sigma O3008). After 24 h, cells were washed with 1x with cold PBS, then
TR:TREATMENT_SUMMARY             	scraped into 300 µL ice cold 80% methanol (LCMS-grade Fisher Optima) and stored
TR:TREATMENT_SUMMARY             	in n glass vials at -70°C for lipidomic experiment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids were extracted by resuspending the cell pellets in 100 μL water and 225
SP:SAMPLEPREP_SUMMARY            	μL methanol, and the resulting suspension was transferred to a glass culture
SP:SAMPLEPREP_SUMMARY            	tube. 10 μL of lipidomics internal standard (SPLASH® LIPIDOMIX®; Avanti Polar
SP:SAMPLEPREP_SUMMARY            	Lipids, #330707) was spiked into each sample, followed by vortexing and addition
SP:SAMPLEPREP_SUMMARY            	of 750 μL methyl-tert-butyl ether (MTBE). Samples were incubated on ice for 20
SP:SAMPLEPREP_SUMMARY            	min, vortexed, and 188 μL water was added, followed by another round of
SP:SAMPLEPREP_SUMMARY            	vortexing. Samples were then centrifuged for 10 min at 3,200 x g and the top
SP:SAMPLEPREP_SUMMARY            	layer was transferred to a glass autosampler vial and evaporated under a stream
SP:SAMPLEPREP_SUMMARY            	of nitrogen gas. Dried samples were reconstituted in isopropanol and subjected
SP:SAMPLEPREP_SUMMARY            	to LC-MS for analysis.
#CHROMATOGRAPHY
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                     	60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid
CH:SOLVENT_B                     	90% isopropanol/8% acetonitrile/2% water; 10 mM ammonium formate; 0.1% formic
CH:SOLVENT_B                     	acid
CH:FLOW_GRADIENT                 	The initial mobile phase composition was 30% B and was increased to 43% B by 5
CH:FLOW_GRADIENT                 	min, 50% B by 5.1 min, 70% B by 14 min, 99% B by 21 min, then held at 99% B
CH:FLOW_GRADIENT                 	until 24 min, followed by column equilibration at initial mobile phase
CH:FLOW_GRADIENT                 	conditions for 6 minutes.
CH:FLOW_RATE                     	0.35 mL/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Full MS and ddMS2 was acquired from pooled sample; Data processing and feature
MS:MS_COMMENTS                   	assignment was done by LipidMatch.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	PNPLA3_followupexpt_1_Sample	PNPLA3_followupexpt_2_Sample	PNPLA3_followupexpt_3_Sample	PNPLA3_followupexpt_4_Sample	PNPLA3_followupexpt_5_Sample	PNPLA3_followupexpt_6_Sample	PNPLA3_followupexpt_7_Sample	PNPLA3_followupexpt_8_Sample	PNPLA3_followupexpt_9_Sample	PNPLA3_followupexpt_10_Sample	PNPLA3_followupexpt_11_Sample	PNPLA3_followupexpt_12_Sample	PNPLA3_followupexpt_13_Sample	PNPLA3_followupexpt_14_Sample	PNPLA3_followupexpt_15_Sample	PNPLA3_followupexpt_16_Sample	PNPLA3_followupexpt_17_Sample	PNPLA3_followupexpt_18_Sample
Factors	Sample source:Hep3B Cells | Genotype:WT | Treatment:Control	Sample source:Hep3B Cells | Genotype:WT | Treatment:Control	Sample source:Hep3B Cells | Genotype:WT | Treatment:Control	Sample source:Hep3B Cells | Genotype:I148 | Treatment:Control	Sample source:Hep3B Cells | Genotype:I148 | Treatment:Control	Sample source:Hep3B Cells | Genotype:I148 | Treatment:Control	Sample source:Hep3B Cells | Genotype:WT | Treatment:CGI-58 overexpressed	Sample source:Hep3B Cells | Genotype:WT | Treatment:CGI-58 overexpressed	Sample source:Hep3B Cells | Genotype:WT | Treatment:CGI-58 overexpressed	Sample source:Hep3B Cells | Genotype:I148 | Treatment:CGI-58 overexpressed	Sample source:Hep3B Cells | Genotype:I148 | Treatment:CGI-58 overexpressed	Sample source:Hep3B Cells | Genotype:I148 | Treatment:CGI-58 overexpressed	Sample source:Hep3B Cells | Genotype:WT | Treatment:PNPLA2 overexpressed	Sample source:Hep3B Cells | Genotype:WT | Treatment:PNPLA2 overexpressed	Sample source:Hep3B Cells | Genotype:WT | Treatment:PNPLA2 overexpressed	Sample source:Hep3B Cells | Genotype:I148 | Treatment:PNPLA2 overexpressed	Sample source:Hep3B Cells | Genotype:I148 | Treatment:PNPLA2 overexpressed	Sample source:Hep3B Cells | Genotype:I148 | Treatment:PNPLA2 overexpressed
BMP(18:1_22:6)	815118.1989	1013728.918	969045.6579	3069450.086	3891774.121	1629593.312	982962.6234	715671.2518	450678.3812	1109473.718	1138649.835	1773707.118	850492.5928	781916.2974	731081.8437	2650812.672	4084116.603	1802562.119
CE(18:1)	50301887.97	66580139.81	65854895.91	87832214.84	75959369.57	45852893.05	34486356.91	30393119.49	21259621.94	52046658.87	32896697.01	58626670.96	50106537.39	52401256.31	51828959.59	65448729.25	123388384.1	41401227
CE(18:2)	8796952.304	12616693.87	11166277.14	22639083.21	17550749.55	9110306.904	6651845.004	7227240.428	5041236.779	13952336.75	9743550.648	15723558.13	9251122.987	11870605.19	12341779.45	11821980.01	27823437.13	8418897.35
CE(20:3)	3053490.075	4322457.728	3768848.687	6893706.586	5183097.671	2385231.135	2394586.468	2106966.223	2025945.62	5098883.634	3106382.421	5970931.905	3367465.815	4157918.734	3903811.712	3085171.976	8291023.297	2542585.532
CE(20:4)	11035949.24	11569256.11	11480245.63	18820881.24	16871795.41	10870132.83	9135635.818	9426884.287	8191053.541	22879139.25	17833657.55	26023407.82	14912770.58	18819530.36	17010617.56	14649034.18	18352522.42	11136148.78
CE(22:5)	2342016.865	2272396.615	2269500.102	4392051.962	4681018.284	1653448.214	1582043.569	1849135.668	1396297.109	2273857.878	2151530.856	2943320.381	1310002.384	2576448.532	2145245.557	3400665.51	5710509.202	1770142.964
CE(22:6)	6682940.982	7350767.202	7540273.26	13822192.43	13088958.2	7250794.452	5628872.941	4372971.608	3495112.714	6008802.107	5147262.251	7479688.017	4630934.012	6237775.552	4989134.254	10522507.6	14712267.79	5838426.757
Cer-NS(d18:1/24:1)	8295218.996	9194085.672	9631561.766	15348463.89	16213353.44	7327541.351	7237234.276	5486695.834	3918011.468	9692178.79	7376943.063	11165903.44	10394893.79	11177953.24	9634622.318	12586164.09	20448972.87	7563473.139
Cer-NS(d18:1/16:0)	5563865.06	6649772.634	6208167.785	10199184.42	9897186.493	5186142.671	4814760.901	3677814.322	3138231.833	5291389.052	3826314.237	6420510.233	6033446.497	6711934.521	5937328.86	8135146.013	14182393.51	4698958.274
Cer-NS(d18:1/24:0)	3640101.949	3845738.406	4177098.566	7783602.902	9162265.589	4018954.553	2758026.898	1802078.21	1444096.608	3571668.927	2826652.842	4088904.418	3280505.088	4151917.421	3108810.375	6501585.131	9379722.338	3348218.948
Cer-NS(d18:2/24:1)	3151350.616	3549680.594	4005595.645	6026687.333	6244547.93	3085606.283	3086619.37	2100781.774	1647579.883	3293334.268	2467008.95	3754780.494	3298383.64	3566695.869	3201357.493	5171310.336	8795086.939	2987730.918
Cer-NS(d18:1/22:0)	1175843.985	1457633.647	1726004.75	2481007.629	3123533.741	1352120.128	883904.4083	665670.324	747158.6509	1484005.806	1051848.223	1479947.795	1286931.331	1511450.244	1122669.847	2514648.509	3714546.619	1285961.215
Cholesterol	1076134169	1427842154	1258870465	2473927622	6401721940	2519578837	2596086083	2940189053	1420796743	1697352481	798759999.9	1099987285	1093924335	1590853094	1137998266	1436102520	1919209285	835539109.6
Co(Q9)	1914641.137	2374743.568	2269367.93	1318912.801	2412481.599	1137969.107	1168317.402	906684.4323	417849.9589	1583222.527	1182915.448	2037404.16	1859413.428	2512924.665	2326922.043	2359555.748	2111790.944	964570.9834
DG(16:0_18:1)	8967112.53	9479401.398	9607926.145	25696559.73	27496547.6	12447427.95	5651577.024	4567119.967	4171497.767	7552100.012	5069940.469	8713204.29	7478609.221	8540392.599	7414410.264	16148867.61	29527575.47	9656600.254
DG(16:1_18:1)	985038.6815	1353098.941	1460705.288	2131722.877	2523689.993	925042.7584	528296.8263	515063.5804	469108.8945	2935492.612	1739391.158	2735178.737	2361161.28	3040998.321	2583633.154	2060931.317	3170662.749	1202202.537
DG(18:0_20:4)	42399181.89	39259785.96	43104313.14	29450784.18	39596773.37	19353496.62	25917083.09	22390365.4	17076590.85	32382883.14	21271731.27	39182885.75	31063745.5	37926283.61	35142610.29	31397012.85	48741891.29	27218821.85
DG(18:0_20:3)	2063253.18	1829825.643	2098138.568	1459862.629	1860968.178	1091465.228	952857.0058	988250.1828	696753.1581	1611088.143	904998.5043	1534004.716	1505036.592	2035115.345	2149758.725	1029176.839	2477130.192	917645.4525
DG(18:1_18:1)	18076473.45	17642671.07	18594010.68	28652254.65	31276527.14	13886136.46	9291173.684	8843689.162	8969843.593	26109207.37	15487195.45	29842551.14	26304113.48	29404398.54	26388756.32	21730142.24	41051433.27	13796425.89
DG(18:1_20:4)	15008516.15	13937429.26	15166503.51	10282323.46	12701075.25	6250763.758	9784138.348	8175983.7	6516135.266	8943124.474	6006299.765	10260595.81	9530186.336	12459331.02	11035699.02	9237162.576	14951292.98	7207418.615
DG(18:1_20:1)	3475859.833	3780037.59	3860271.878	4767526.556	5035386.114	2188894.821	2169427.573	1833639.298	1720772.503	6513869.551	3865198.058	7163262.161	7933864.409	8384760.339	7069109.457	3933621.838	7230133.5	2218886.524
HexCer-NS(d18:1/16:0)	874605.208	1803277.389	1823102.453	7810983.913	7250813.487	3684263.211	692618.5704	581652.3103	703219.7609	2145452.017	1978175.813	3167430.824	1804414.972	1804749.516	1682296.57	4978676.165	10521922.46	3019881.178
LPC(18:0)	496072.7626	582108.3535	842492.902	2622343.424	2426665.494	1549612.92	639365.0061	770229.2563	317804.8078	809575.9894	1173296.429	1956832.996	1067893.359	1003447.599	1009179.529	986976.2533	2081505.255	1374941.89
LPC(18:1)	3887624.067	4303296.862	2678350.195	4940669.838	4348083.099	4398201.638	1984902.619	1972319.511	2575868.87	4299875.595	4648575.814	5652813.606	3578803.925	7126148.657	4822113.218	5347938.186	5932129.642	4833117.178
LPC(20:4)	1790977.175	2048370.793	1409132.031	3290518.488	2826037.359	1726338.82	1603251.76	1529347.848	1171748.282	2035359.637	1949256.388	2106672.466	1458020.691	2382102.583	1808773.43	2262434.057	2275004.569	1456955.031
LPE(18:0)	972393.5236	1481447.539	1549223.239	3692738.523	3283637.233	2091892.099	957077.9362	774264.8708	900766.9824	1216802.968	1107389.177	1439912.861	1549741.329	1906097.691	1647198.925	2632295.69	3841172.826	2131785.669
OxLPC(24:1(KeOH))	717476.9135	368635.3938	578649.551	755550.8252	463204.9653	917529.5661	811292.3788	519015.0126	238260.7026	817921.2426	817526.1335	629758.0276	933131.3336	748721.0303	737886.9088	598811.0507	277913.7736	480862.6552
PE(16:0_18:1)	102659247	113054914.1	116848852.2	176051963.1	135028153.3	85875965.7	85898497.99	59541632.51	48801516.08	66620333.04	69933726.04	67643604.71	121615254.3	82703341.36	114924704.6	143168235.5	240039952.5	79803924.56
PE(16:0_20:5)	2860790.97	3615809.663	3512035.223	8345768.318	9945197.206	4974171.029	1828823.435	1155142.376	779296.4641	3192187.96	2818155.019	3846096.089	2970977.025	3626576.513	3339702.468	7165132.77	11187891.32	4137900.089
PE(16:1_18:1)	26207261.76	43137469.23	32829996.01	56080522.43	56476532.25	33495252.44	18702735.03	18348372.11	10679536.86	21178473.52	30555947.1	41420884.23	33327057.84	52181388.07	24015946.94	49051337.05	79857938.73	31210738.06
PE(16:1_20:4)	2702305.214	3656724.892	3201190.401	7819192.548	8703359.351	4208272.663	1752384.851	1120137.419	784585.2328	2040705.052	2256376.035	2824498.642	3369465.342	4117662.607	3541818.429	6754179.508	10583281.48	4077064.693
PE(17:0_20:4)	5403436.426	5516733.298	5672953.714	9967408.948	9816468.582	4610214.256	4198429.41	2493090.79	2227898.478	7218748.29	5946053.116	8393797.661	6471813.75	7461911.477	5911320.461	9030999.097	13545823.91	4999733.982
PE(17:1_18:1)	5064938.909	6206219.892	6028536.001	8062853.736	8402080.886	4163787.012	3879124.386	2224641.577	1866428.12	4233018.897	3634384.887	4903338.678	6433718.436	7527549.817	6608341.667	8575369.83	12931430.38	3512516.01
PE(18:0_20:4)	299518869.9	341540303.3	339734300.4	716844572.8	763019714.9	334173148.6	288294376.5	202679462.8	159105751.3	394976074.6	283384674.7	434116269.9	336981348.5	361178113	318409227.1	587205661.9	977831106.8	312352643.7
PE(18:0_18:1)	44727598.78	48949331.58	51076440.45	83809750.56	85398072.01	40807482.37	48285960.09	33980783.31	27566404.04	49838743.83	37279325.88	53273954.68	57440084.2	62044020.98	54743926.01	67005114.94	106689509.5	36990952.82
PE(18:0_18:2)	21409743.45	24698894.57	24858293.9	54433399.84	56701294.24	27995913.2	21100277.15	14940729.48	12032358.23	28296740.58	22449377.39	31010458.85	27248869.84	30464730.37	27342279.91	47657792.53	80718696.82	26153130.27
PE(18:0_22:6)	21151137.02	24258718.4	23079054.96	38212051.87	40020894.47	16763930.52	20374153.77	14783084.66	11447747.22	25556708.19	16554643.81	27337507.95	24191941.35	24896991.07	21817032.64	31618300.69	54629819.48	16574020.07
PE(18:0_20:3)	14916560.68	16174633.38	16540126.79	22797881.8	23314735.04	11367615.94	14668997.61	10366194.11	8335070.232	13694559.54	10363294.11	14771919.19	17845832.07	18753585.41	16622864.14	15675839.38	30898940.9	6536994.516
PE(18:0_20:5)	7629839.701	10418352.69	10158453.02	24093664.74	25951963.92	12734191.62	7882078.866	5526292.523	3660434.168	12309007.93	9045557.782	13306139.86	10274299.48	11800544.58	10872240.2	19035303.76	32397280.72	10841616.58
PE(18:0_22:5)	4627993.821	8985366.162	8262915.013	13720159.44	13962126.98	6353993.521	7568803.191	5333584.166	3657789.743	10351440.03	7319825.337	9871669.587	8274192.174	10652179.21	9582953.94	12729242.54	19359840.87	5429377.679
PE(18:0_20:2)	4315865.423	4893006.55	5015057.824	8276998.066	8379146.64	4289736.53	6074478.716	4553826.295	3274827.594	3220048.965	2667631.746	3954601.391	6275326.41	6711238.405	6145154.43	6652462.769	10461623.74	3509701.991
PE(18:0_20:1)	2989795.036	3665377.665	3289969.464	5341257.189	5812013.924	2563115.527	3681718.703	2707986.058	2226037.887	4541294.671	3153307.061	4755469.975	7533867.347	8152699.096	7423300.465	4540472.166	7174083.049	1735779.631
PE(18:1_20:4)	385286975.9	449463871.9	435748246.5	778682181.1	832419085.4	366186321.1	271155342.9	189201178	148855101.5	424015886.2	325702866	481200600.5	490182388.7	513324789.1	466528624.9	704205212.5	1229799356	374876980.2
PE(18:1_18:1)	370279605	391705415.7	406879238.8	491050768.5	485807708.7	220902717.5	270127402	198759482.6	159301557.3	403230114.5	274301913	449033917.5	511159623.4	533620406.9	470364423.6	436748883.9	748164850.6	229186623.8
PE(18:1_22:6)	95662764.06	112710705	112475261.5	140646505.6	147733304.5	60873606.61	67883839.03	49721520.4	37690965.12	105768926.7	71876082.75	118743341.3	127995832.9	132825571.8	122549394.3	122048367.4	221327326.8	64613937.81
PE(18:1_18:2)	84441741.66	103225634.6	103481965.9	166555768.5	176007238.7	91963617.29	58255727.86	42123372.17	31687967.01	87928602.03	72549490.58	100344865.5	119759429.1	134323859	121228998	163361868.8	266888599	94467990.6
PE(18:1_20:1)	32154003.43	36859682.72	39649230.06	44109603.32	42678877.47	19913898.32	34696351.61	23151586.24	19416402.94	45852605.3	32625174.82	49132005.27	79997449.31	86468290.4	75563762.4	41594046.4	65656785.28	20665597.48
PE(18:1_20:3)	30823207.05	34641711.85	35557603.33	43060431.62	45686821.4	22072691.11	23379113.72	15640478.38	12858912.8	21331660.49	17277475.18	24217622.06	38066000.23	40563450.45	36361319.41	34135730.61	62831788.61	22638905.42
PE(18:1_20:5)	13811594.94	18453267.8	18431929.84	35354604.85	37423472.9	20524607.39	9914712.82	7566959.789	5154891.521	17103612.2	14261856.96	19458697.59	21203962.8	25498671.67	22218518.61	31520625.62	49790065.64	19975000.31
PE(18:1_22:5)	10463870.25	11837579.29	11842701.41	13921593.36	12874294.9	6062146.339	8322399.472	5548581.008	4850106.555	9090463.981	6289144.385	10207010.19	13067259.8	13771054.68	12404119.97	12268676.19	21005274.11	6548638.706
PE(18:1_20:2)	4978096.168	6171836.318	6423402.547	9344457.607	9277154.139	5195310.507	6725060.114	4712812.886	3464320.811	3666134.25	1870872.967	4569733.767	7554945.5	8995331.53	7700973.474	7459075.75	12824664.58	4525570.421
PE(20:1_20:4)	25942988.7	30293906.77	30162489.03	40579425.54	41837419.78	18202770.58	24626311.51	16152443.67	13433509.65	30898379.17	22623974.52	34373405.59	38626987.42	40846032.91	35491565.12	34166478.38	60807509.93	18059222.85
PE(20:1_22:6)	6087156.269	9743693.594	8749785.041	7828314.328	7412773.581	2672928.973	6259777.924	4697199.808	3893825.902	8322875.894	5521208.446	5228327.786	11111205.2	11885795.9	10108195.92	7123092.221	12356141.75	4184453.378
PE(20:4_22:1)	3987024.559	4558881.44	4453871.909	5446909.389	5860088.584	2730209.124	2780087.768	1884047.789	1259512.117	4705839.434	3028743.748	5147861.384	4765158.97	4938318.054	4826758.214	4904393.925	8265407.856	2350143.751
PG(18:1_18:1)	26565663.21	29752168.94	29227424.48	63629373.26	67546886.87	34080491.47	21711836.82	15165894.01	11388885.52	25802452.36	21801161.77	32347207.35	29978667.95	32450286.05	29798584.74	60596280.85	74968236.02	41996557.5
PS(16:0_18:1)	15833379.28	16315618.69	15511214.81	29997941.35	21351764.6	7692183.386	7595735.162	5037180.683	1495650.551	13185188.05	8166935.155	14731995.57	14351294.73	15997994.61	15367386.04	13258630.92	11561952.55	3734629.964
PS(18:0_20:4)	17359333.27	16995163.17	17545912.35	42375107.14	37239881.44	21118953.26	12692760.63	9340493.572	2475800.956	22838918.35	13420255.93	19663539.23	15762105.03	17352062.29	14904619.82	29286757.02	25795284.22	10492808.12
PS(18:0_18:1)	15923448.29	14660359.38	15288570.96	28652205.91	21875356.76	12303622.67	10708429.58	5700126.869	1903519.714	22118053.77	11732831.92	19725025.48	19589590.84	19915201.57	18981174.44	19125294.47	15852463.13	5269116.511
PS(18:0_22:6)	12228168.35	12124802.97	11099642.09	30269636.86	27520585.48	15391176.95	9823920.309	5922904.13	2121479.708	16856956.15	9834681.78	16671035.34	11938338.77	15048567.45	13561733.13	24312386.32	20288824.41	9468326.537
PS(18:1_20:4)	4009176.701	3735452.364	3922780.197	6287194.113	4974250.166	2728714.567	1798838.629	1107583.87	374623.9934	3987467.628	2106475.113	3632372.457	3298800.633	3569654.958	3226738.964	4378139.156	3690412.199	1596229.458
TG(12:0_14:0_18:1)	20090269.51	20582295.81	20977405.16	53962891.77	70092396.4	28828859.49	23472656.32	13752405.68	11077434.61	2033689.789	1525073.672	2674276.113	6644957.036	8285264.173	6247719.806	41256177.35	57018326.88	18078117.09
TG(12:0_17:1_18:1)	9858315.648	7963830.304	7835328.969	23266371.44	28775253.89	12209663.74	8110254.575	3786342.934	2598998.515	2777053.554	2399469.824	1209442.131	4517467.344	3971581.075	4159801.819	20527985.08	22726261.3	6531777.92
TG(14:0_16:0_18:1)	1003776106	1045927247	1055305198	2706299254	2893564789	1697849338	1151023527	909645629.2	735922696.3	183315106.4	148822667.2	210450096.2	328154667.6	364858695.3	308749547.6	1809484174	2481938446	1138055067
TG(14:0_16:1_18:1)	541248469.7	509141735	529162717.1	1183899922	1360188314	602816508.3	503209730.9	301993198.4	257931149.6	129809690.3	105004407.2	155586185.8	290752160.5	348356388	256916290	968777774.5	1320426317	493175367.3
TG(14:0_16:0_16:0)	97559246.21	108510637	110349296.2	462185885.3	518501342.5	276306888.2	162093119.7	110428097.9	92342234.64	18828271.03	17394036.54	22706641.43	26917794.4	33090060.4	26941249.2	240651594.6	345234238.2	144008031.7
TG(14:0_16:0_17:1)	30565520.67	30947535.28	32319084.2	88674907.48	105654716.5	46816793.59	36260282.32	24355304.23	20324917.03	5761126.942	1635378.289	8286241.411	12891551.47	14654274.9	11808173.36	60626912.55	82695673.08	31698736.48
TG(14:0_14:0_16:0)	23817844.46	25046266.74	26085234.52	99480354.34	120173041.6	56558416.5	36458101.81	22679069.19	19243757.53	2905013.257	3000090.455	3460009.436	5703747.406	7204877.943	5391807.462	59664856.15	78647833.6	31672117.38
TG(14:0_16:0_18:3)	7406538.665	6629445.435	9227575.871	15748329.51	22261368.08	6079412.52	5360436.319	5861495.954	4744260.562	2190699.328	1929604.707	2646302.174	4300262.413	5247724.233	3958778.777	11915877.45	18442693.92	3243802.395
TG(14:0_15:0_18:1)	3721514.579	4391657.029	4429832.065	10114010.72	11692272.42	5318103.145	5436102.951	3651858.09	2867572.126	880244.1328	873628.0724	1046732.236	1639839.399	2055556.042	1519346.649	7219950.563	9243440.987	3534430.017
TG(14:1_16:1_18:1)	38280574.03	34613813.94	36265401.31	74433976.59	91282544.73	36067341.9	29082740.58	18706218.28	5060920.054	15365844.88	12381015.8	19531158.88	36644299.25	43199435.28	32001863.51	68314637.32	100804636.6	30947865.22
TG(15:0_16:0_18:1)	99139355.81	104324161.2	105964646.1	287802224.1	317497602.4	155203526.5	119749750.7	81345699.99	66626635.65	22811393.25	20318322.64	26425377.63	34730819.66	41032799.34	31999923.73	182522384.1	255635046.9	99240007.27
TG(15:0_16:1_18:1)	84023574.51	84157640.48	88079801.04	199089013.4	236762448	100279463.2	82390768.89	56281126.46	46844074.76	18553041.98	18427084.4	23613948.04	41423194.83	49614227.55	37357593.95	148754539.9	206229524.6	73961037.29
TG(15:1_16:1_18:1)	7967179.439	6555826.188	8427224.293	18579748.02	20787805.44	8025553.094	7324189.919	1780264.945	4439355.839	2811604.117	1506629.181	2499906.971	5339348.683	7036279.335	4700711.975	17589982.09	20991996.02	7244805.345
TG(16:0_18:1_18:1)	7339379537	7867444977	7984975039	8008678391	10804593071	7486683805	7179627366	6014829283	5081012790	2280151221	1660274797	2476755398	3573172380	3892930859	3429911705	8720518130	10971963202	6002939134
TG(16:0_16:1_18:1)	3460347428	3005829182	3051894571	6279889677	6014603721	3479531718	3079249600	2555193501	2103447126	935389166	676247413.5	1075067878	1706288881	1654031891	1466883517	4204813876	6402768918	2686716569
TG(16:0_16:0_18:1)	2135958484	2415808771	2471372389	5160458853	5965597817	3569531748	2590038380	2107529918	1660509053	480119854.1	410138529.8	539110595.2	714813723.6	808345298.9	679053732.1	3626807009	4955216147	2458054190
TG(16:0_18:0_18:1)	1041018082	1165032797	1178892840	2336108940	2467951127	1391554961	1277921367	985924455.9	824939914.6	242771941.9	219735128	268903691.6	328115112.4	348894534.1	316931177.4	1422161125	2090229236	936114701.5
TG(16:0_20:1_20:1)	461422478	513564643	522395460.2	741844105.9	740501867.8	389888518.9	479936707.9	382268739	303261196.7	128868571.7	81065395.48	147040140	239858080.9	252887840.5	220501577.7	517189812.1	861487057.8	307739791.5
TG(16:0_17:1_18:1)	358506709.6	361317275.4	362024291.9	713552693	752941858.9	354537467.2	343749085.2	238386502.5	188760638.5	64317510.71	52547402.79	72397149.02	123948972.3	157971565.1	111574662	476616941.5	715334063.8	266724770.6
TG(16:0_16:0_16:0)	228733175.5	257151594.3	260048083.5	1063135547	1193677473	658794721.2	379457879.3	282864388.7	235406891.8	63206150.94	66138738.86	74150264.23	73931259.14	89101083.59	72380499.7	524549308.1	714572558.5	335197014.2
TG(16:0_16:0_18:0)	134196891.4	148329936.9	148525865.2	523210371.2	556178878.3	294868828.2	224271663.9	163599473.3	136422549.5	45338196.74	44782992.28	46101454.85	45712390.19	53814805.62	45671897.65	231517256.7	321035176.3	144967496.5
TG(16:0_18:1_24:1)	148289927.5	155391178.9	165673579	246532469.7	246961461	132174459.2	132048612.9	114575949.8	81872818.42	27517747.51	16249492.03	30973966.7	63315475.48	53739889.78	46643230.63	167510469.8	262073917.6	100794524
TG(16:0_17:0_18:1)	101740530.2	106314467.8	109206030.6	239183055	268956473.7	130508216.9	126707998	92502166.67	75257159.07	23000595.54	20150652.53	26308060.33	29514881.76	35782201.51	28503555.85	157052696.6	223459315.4	88416436.21
TG(16:0_18:1_22:4)	94155164.03	117945971.8	118829950.4	113452198.5	119127420.8	65194260.52	98749639.08	75113158.14	62154761.3	31019537.31	16703507.62	36385062.35	51261722.83	56624853.78	43617258.33	111794903.4	169673039.8	57300504.76
TG(16:0_18:1_22:6)	87951747.02	82464662.01	86909837.68	97948476.08	114741444	42726678.67	58733052.28	38970061.33	31451453.94	19442692.57	13855714.6	23349273.73	35625813.68	39664763.18	29816540.23	122955532.3	176331883.3	58444119.87
TG(16:0_16:1_20:4)	73286812.43	60500991.13	63338245.98	95562979.04	116609744.5	52648348.27	64644493.01	45744116.32	40438100	29762423.36	31646542.33	34035798.94	40097874.69	47906108.67	38079364.38	92048397.57	107437320.2	50401195.06
TG(16:0_18:1_22:5)	50693428.53	48639097.65	50606631.03	58889635.59	52924958.04	29081971.25	40731019.21	23347012.25	26515449.63	6084487.129	7939901.626	13102803.05	14310628.25	16201507.28	17525771.69	39568697.93	78608092.18	30819880.15
TG(16:0_20:1_24:1)	35250917.31	40095207.69	41309128.19	68515414.07	65125365.15	36217686.49	41166395.48	28514049.38	23961755.91	4762314.995	2662763.607	6156704.349	11623274.48	10626344.15	9940995.036	36359979.95	63142797.02	20131411.07
TG(16:0_18:1_22:0)	18680987.15	22869248.07	21859046.64	53924158.45	50555021.3	27395723.54	24137073.34	34949596.34	9709714.304	5053167.815	7088453.5	10152509.04	10577667.57	13925723.97	12442465.06	25796371.61	39122025.19	20053107.06
TG(16:0_18:1_24:0)	21913865.68	23458083.89	23867596.07	51669907.75	49613755.3	26714123.39	25940134.47	17320968.95	14861382.44	2531048.125	2489327.114	2338591.283	3792664.435	3061919.865	4164999.216	23926740.04	37400288.71	12985152.37
TG(16:0_16:0_24:1)	18975185.93	20416838.73	22993700.52	39688190.94	35044255.75	22796980.45	23480535.6	20172966.63	13708860.35	3464916.223	2832483.181	4334517.623	5586126.649	5671428.871	5170674.983	22747950.34	39488892.89	12322530.01
TG(16:0_20:1_22:6)	24527692.76	24145489.64	24314548.96	22148197.82	23347945.64	10051969.04	18151935.26	12877349.62	10805695.93	5686075.419	3301327.79	7157618.57	11711225.26	13401954.76	10286070.87	26985721.01	40830851.1	13026641.1
TG(16:0_16:0_17:0)	10586171.49	12563975.48	11716943.16	38641893.69	38995029.28	23467671.94	16262025.57	13003393.18	10742954.87	5059279.979	5111070.72	5274637.442	4861813.166	5470917.297	5057547.673	19043414.51	27438724.23	14427190.1
TG(16:0_18:2_18:3)	8600061.531	5351785.457	5486356.755	11642698.01	13221277.99	7590348.754	8172464.272	5805663.079	5595782.473	3842777.722	4160526.639	4275866.852	4694877.581	5408198.064	4340463.566	12443683.9	12713858.87	5145094.739
TG(16:1_18:1_18:1)	3958929652	3891262655	3928704842	5873041888	6260007272	3464110650	3109047949	2581924278	2159534034	1641393701	1144630515	1921852132	2755884130	2870960461	2520878356	4580649825	6334017144	2842447787
TG(16:1_16:1_18:1)	533654881.1	502162041.3	522201431.3	999547606.7	1162763040	489535211.8	420208146.5	273499792.4	226347663.6	216156108.2	162581816.6	261500424.9	438671641.6	508504280	366528154.3	830957048.3	1182921591	416483820.7
TG(16:1_18:1_22:5)	46464204.25	40616950.11	40687271.6	58618141.59	63307867.94	24932328.91	37170711.66	23004436.27	20613901.9	13169920.04	6409923.645	15808029.19	23221405.98	27841957.86	20162269.95	51829863	75163860.07	23286971.87
TG(16:1_18:1_22:6)	37928709.32	31891262.6	32511153.75	29760999.89	38181343.25	11050645.46	23575457.5	14206637.79	12146370.97	11471019.23	7267890.3	13579601.22	26479932.18	31464205.69	23480462.17	44643250.41	57841372.5	17731709.78
TG(17:0_18:1_18:1)	286846437.2	295769082.5	305784349.1	488999836.1	517640015.2	255480014.6	296915591.9	219594366.3	175082303.7	53191002.58	46961765.57	64049623.77	105992375	118733183.2	94802912.06	350097172.9	502199168.8	194883074.4
TG(17:0_18:1_20:1)	60050149.64	66775123.86	68732642.63	97397907	97504820.16	46214665.4	66166505.48	48273460.29	39662613.43	13366350.54	8920155.371	14904034.75	25660836.22	27063680.16	24190135.31	69149485.14	106174332.8	37641768.39
TG(17:0_18:1_22:1)	14993658.57	16699292.72	16617364.69	23154254.32	24012101.39	11740344.03	15811793.53	11452136.36	9501048.307	2783995.319	1213591.443	2641716.458	6495369.238	6382137.591	5864818.066	16263799.31	27232088.2	9584439.121
TG(17:1_18:1_22:1)	39305229.98	45260535.54	46153817.05	47571959.03	49023088.05	25512734.72	38036566.73	26607873.28	22525612.64	12620714.19	8858314.025	14696367.77	33808490.48	37268481.69	30595074.94	41224256.67	64582504.76	23897971.18
TG(17:1_18:1_18:2)	19698799.13	24776573.81	27308205.03	32194762.59	48902950.47	17055698.22	18227422.3	12688810.66	9091991.454	6149515.666	4257821.433	7395263.758	14171075.76	10391727.62	8363891.828	33060151.35	45492527.66	11052463.82
TG(17:1_20:1_22:1)	13951383.84	14809567.34	16086036.94	17682930.71	18849358.8	9303646.663	12682380.02	8952061.665	7993829.42	4299864.859	2483378.627	4414160.953	11986195.8	13041687.73	10559455.25	14336306.28	24051775.05	8286242.799
TG(17:1_18:1_22:2)	11269634.51	12001359.68	15358303.24	14046193.09	17370587.82	7817799.76	12432968.46	9046428.789	7237404.177	3918524.82	1966414.131	3617110.987	9180526.435	9862484.331	7489807.788	13329578.34	20842426.03	6855293.322
TG(18:0_18:1_20:4)	102828810.3	140157378.6	155115560.9	178850460.3	182360626	119213004.9	155996152.9	147251364.8	125638881.1	43657247.26	28090751.48	48595019.15	67232591.94	77680119.08	71647980.32	156009841.6	211833000.5	108477675.3
TG(18:0_20:1_20:4)	21112495.65	30279280.38	23038208.31	29961080.23	26996403.73	19874204.61	32390920.79	22410464.25	16459704.55	7301827.703	5079866.882	8159940.242	9326213.684	13388069.88	9044778.915	28954582.51	23530597.4	13460109.9
TG(18:0_18:0_20:4)	5475226.788	6455857.706	6821191.08	10445627.27	9617320.131	6361386.784	5975902.689	5700884.962	4892347.217	1768637.452	1556510.137	1996423.975	2284082.928	2839314.483	2371253.808	8056660.297	11803405.79	5352504.797
TG(18:1_18:1_20:1)	2964077398	3153396024	3124341491	3565448028	3552130417	1880400090	2680101894	2291945035	1860971549	1132202013	648983988.3	1299365724	2257898533	2357878224	1995675456	2645404146	4127368607	1608570874
TG(18:1_20:1_20:1)	504431295.3	550411224.6	547779737.2	648836701.7	630823965.5	316702093.8	446822762.6	363930971.4	293818241.1	248197607.9	140314555.8	281634786.5	549893239.9	563282570.1	492712797.2	485981957.1	831897992.4	277476561.8
TG(18:1_18:2_20:1)	399393996.1	415808849.2	319656109.8	436625552.6	325234298	255018708.3	397384611.4	329814841.2	275005761.4	172808756.7	94577824.17	196740541.6	298951234.1	313301821	277583778.7	369106823.8	512750386.1	229708537
TG(18:1_18:1_20:4)	444123686.3	421441171.9	394811243.8	521046407.4	527489269.3	236017453.9	337305250.4	260377902.4	214920654.9	100014410.6	61741040.62	125099697.3	186137711	199165025.4	174644501.6	441343973.8	676097380.7	213805358.6
TG(18:1_18:1_20:3)	209620346.6	294170733.9	301595318.6	193511934.5	189148211.2	89300504.25	231947945.8	171174695.6	145338631	79962275.28	36328943.94	99084315.23	150066710.5	165728918.1	128268793.2	254645625.7	252627548.2	88259152.28
TG(18:1_20:1_20:4)	175339731.8	177473678.8	148809903.1	204371958.7	210234682.2	96014426.4	139609320.4	106591928.9	83515513.9	51432074.35	25967749.89	48184621.63	68560423.02	79536053.22	62556661.9	171484223.5	269523216.1	95787098.43
TG(18:1_18:1_22:2)	121597034.4	129837916.8	131350947.2	163727094.3	161949002.4	77495660.25	117298053.2	95189072.32	77639759.3	62621851.2	36518523.58	70776608.12	115910358.4	127987506	110069878.4	134832007	213900812.8	82035200.17
TG(18:1_20:1_20:3)	129463845.1	133436002.9	135627569.6	145184675.9	145869097.5	65976790.82	113972284.7	86863958.21	72016146.54	37352117.67	23325802.7	43080366.28	73558254.57	75714252.68	61412275.92	121919107.1	185190553.9	64848546.65
TG(18:1_18:1_22:6)	135678696.2	119597413.9	123008000	102469085.8	111705306.6	40354530.58	79732982.8	55066194.8	46482949.87	35608641.63	21498890.67	42421262.5	79818381.57	87045628.1	62910231.42	121819971.6	179677929.3	55118558.61
TG(18:1_18:1_22:5)	112380881.1	107854717.6	110398164.7	89797518.48	87395636.81	37837776.23	68186957.91	49238344.56	44380384.34	41748303.97	25660738.16	51123924.03	75662593.21	77997672.31	61818979.03	98529248.71	157782439.5	46759597.99
TG(18:1_18:1_22:4)	130296531.3	118198590.6	110020893.8	94396088.95	88912150.63	31777119.13	78527439.34	59885473.6	47510963.31	36139646.71	19698220.16	45919406.08	65129379.17	72017236.37	54933831.94	79746618.07	135118516.3	41474515.27
TG(18:1_20:1_22:2)	42374144.7	46808569.03	48003339.49	74608425.35	68683242.04	36192881.28	41926998.89	30608785.39	25760835.71	22389395.63	12088249.52	26308494.91	45367325.52	45912229.96	39488535.2	54171278.14	94409549.14	30734562.56
TG(18:1_18:1_24:0)	32256374.74	35421328.5	35885592.84	58813962.65	57546860.82	29960164.5	28998213.55	22296326.63	17418861.28	8012134.494	5693054.97	8934663.743	13517109.83	14676021.87	11619930.88	34885754.56	61825606.17	21011777.8
TG(18:1_18:1_22:0)	22988670.7	25024634.24	26681864.22	39407744.23	33576747.8	22199496.68	21781689.71	17279190.22	14614742.67	9546621.239	7350142.893	10706036.86	13528992.11	12912021.04	12650239.13	26359987.86	42119678.84	18163277.01
TG(18:1_20:1_22:6)	24330745.78	23095371.3	23276294.97	15087355.58	15271989.45	5690031.814	15773091.16	11775956.99	9406521.706	6945947.324	3848387.329	8539960.678	20884352.3	23159150	17551027.27	17795383.84	28925836.4	8383255.781
TG(18:1_20:2_24:1)	4910743.519	5581048.443	5178472.837	6179317.046	7394935.039	4015817.472	4774726.612	3747314.632	3059526.922	2254503.259	914899.8007	2737521.981	4355172.821	4360685.626	4031813.423	5429385.74	9046643.55	3071458.554
TG(20:1_20:1_20:3)	29647175.16	32076968.41	32510061.48	32799580.04	31106805.93	14710583.94	25953280.78	21091621.04	16702506.99	11493601.3	6912330.611	13969499.72	22418967.34	22977683.63	19620849.77	26793250.63	43183622.91	15276783.07
MSDIAL_LPC	28408973.48	35741253.49	29458517.04	50769341.24	59012661.41	33257183.84	22804997.66	19663964.2	17819113.85	26123559.09	32974073.56	32312982.61	27019412.4	43912575.26	28272539.87	45568688.24	58645185.43	33769014.88
MSDIAL_PC	3957620036	4419060099	4258646402	4846136999	4973534325	2268292614	2410313854	2054584873	1467653954	5090842977	3298738267	6006491754	4503940940	4848388068	4367998638	4324812022	7504154073	2552038396
PE(37:2)	2029664.002	2438022.254	2857395.097	4095122.338	2692242.286	2414096.26	2235259.073	1004729.604	564210.8201	2692106.623	1257206.508	2220438.223	5188934.151	5076129.846	4624260.537	2442612.277	5755801.332	631833.8914
PE(42:6)	1899501.461	2914949.071	2510567.005	3834217.213	2929742.248	1085164.322	1881208.601	1522855.528	612498.5327	3343734.069	2216970.775	3600958.587	3402500.675	3660237.611	3408692.456	3537002.468	6379377.938	1198362.252
PI(38:4)	26690174.62	27706537.08	29541576.22	56549348.58	40950830.52	23439781.63	17096392.17	12544522.07	3621329.631	37937730.56	19234320.55	33351915.88	31514310.29	32202933.24	30165344.56	35344319.54	38601361.32	14234450.32
PI(38:5)	7375895.949	7321162.175	8015294.649	12400769	8103733.735	4836694.206	4989925.55	3577064.823	797859.5843	7860254.919	4364806.772	7604995.855	7865118.3	8202018.983	7575133.86	6536730.419	8168441.966	3310018.964
PS(34:1)	3284395.663	3352401.844	3364428.712	9719898.533	8349156.375	4812937.613	2718537.754	1907939.747	423124.3102	4896231.946	2917229.44	4332750.27	4419606.999	4841705.711	4279911.04	6637688.328	5831550.005	2419271.244
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	m/z	RT
BMP(18:1_22:6)	838.5591214	10.62349365
CE(18:1)	668.6338769	23.53401587
CE(18:2)	666.6188254	22.99359524
CE(20:3)	692.6341693	23.0084127
CE(20:4)	690.6179026	22.56406349
CE(22:5)	716.6340272	22.69699206
CE(22:6)	714.618322	22.29202381
Cer-NS(d18:1/24:1)	648.6284908	18.23342063
Cer-NS(d18:1/16:0)	538.5194187	13.92627381
Cer-NS(d18:1/24:0)	650.6446027	19.46290476
Cer-NS(d18:2/24:1)	646.6131158	17.28696032
Cer-NS(d18:1/22:0)	622.613383	18.48642857
Cholesterol	369.3513944	23.51034127
Co(Q9)	812.6548695	19.51126984
DG(16:0_18:1)	612.5561542	16.85751587
DG(16:1_18:1)	610.5407467	15.48138651
DG(18:0_20:4)	662.5721329	16.96053175
DG(18:0_20:3)	664.5872601	17.50442063
DG(18:1_18:1)	638.5717983	16.86157143
DG(18:1_20:4)	660.55661	15.33513571
DG(18:1_20:1)	666.6031152	17.98830159
HexCer-NS(d18:1/16:0)	700.5724463	12.71209365
LPC(18:0)	524.3710436	4.141847619
LPC(18:1)	522.3553695	2.764434127
LPC(20:4)	544.3396083	2.095866667
LPE(18:0)	482.3239856	4.845711905
OxLPC(24:1(KeOH))	636.4232561	3.492019048
PE(16:0_18:1)	718.5370185	14.54345
PE(16:0_20:5)	738.5063033	11.91217302
PE(16:1_18:1)	716.5219418	13.22339444
PE(16:1_20:4)	738.5066394	11.35550873
PE(17:0_20:4)	754.5381725	13.90575397
PE(17:1_18:1)	730.5378274	13.77117698
PE(18:0_20:4)	768.553388	14.79970476
PE(18:0_18:1)	746.5683526	16.24873968
PE(18:0_18:2)	744.554083	15.02641032
PE(18:0_22:6)	792.5536158	14.39789444
PE(18:0_20:3)	770.5693477	15.44564048
PE(18:0_20:5)	766.5380926	13.7413119
PE(18:0_22:5)	794.5690965	14.8759373
PE(18:0_20:2)	772.5848941	16.74381746
PE(18:0_20:1)	774.6002021	17.43169048
PE(18:1_20:4)	766.5374423	13.06722778
PE(18:1_18:1)	744.5539388	14.61372778
PE(18:1_22:6)	790.5380559	12.6637127
PE(18:1_18:2)	742.53808	13.29443254
PE(18:1_20:1)	772.5849685	16.11153175
PE(18:1_20:3)	768.5531534	13.74935476
PE(18:1_20:5)	764.5222243	11.99043492
PE(18:1_22:5)	792.5535558	13.74058175
PE(18:1_20:2)	770.5692415	15.20730397
PE(20:1_20:4)	794.5691141	14.67684841
PE(20:1_22:6)	818.5697709	14.2739381
PE(20:4_22:1)	822.6004748	16.24381667
PG(18:1_18:1)	792.574909	12.36961111
PS(16:0_18:1)	762.5277991	13.22256032
PS(18:0_20:4)	812.5440395	13.52495714
PS(18:0_18:1)	790.5603197	14.9747754
PS(18:0_22:6)	836.5443337	13.14823968
PS(18:1_20:4)	810.5278962	11.83996905
TG(12:0_14:0_18:1)	766.6915948	20.48181746
TG(12:0_17:1_18:1)	806.7230834	20.7786746
TG(14:0_16:0_18:1)	822.7542075	21.64361111
TG(14:0_16:1_18:1)	820.738576	21.06410317
TG(14:0_16:0_16:0)	796.7384965	21.73288095
TG(14:0_16:0_17:1)	808.7386761	21.37104762
TG(14:0_14:0_16:0)	768.7073434	21.15397619
TG(14:0_16:0_18:3)	818.7229956	20.77856349
TG(14:0_15:0_18:1)	808.7386882	21.2263254
TG(14:1_16:1_18:1)	818.7230335	20.55385714
TG(15:0_16:0_18:1)	836.769763	21.91048413
TG(15:0_16:1_18:1)	834.7541325	21.33956349
TG(15:1_16:1_18:1)	832.7385737	20.8051746
TG(16:0_18:1_18:1)	876.8010687	22.09506349
TG(16:0_16:1_18:1)	848.7699843	21.60942063
TG(16:0_16:0_18:1)	850.7852407	22.16738095
TG(16:0_18:0_18:1)	878.8158118	22.66303968
TG(16:0_20:1_20:1)	932.8636334	22.97454762
TG(16:0_17:1_18:1)	862.7855861	21.8470873
TG(16:0_16:0_16:0)	824.7699593	22.27192063
TG(16:0_16:0_18:0)	852.800614	22.79579365
TG(16:0_18:1_24:1)	960.8951894	23.41256349
TG(16:0_17:0_18:1)	864.8013719	22.41819841
TG(16:0_18:1_22:4)	926.8167455	21.86355556
TG(16:0_18:1_22:6)	922.7854219	21.34774603
TG(16:0_16:1_20:4)	870.7542956	20.93422222
TG(16:0_18:1_22:5)	924.8006984	21.67084127
TG(16:0_20:1_24:1)	988.9262975	23.90787302
TG(16:0_18:1_22:0)	934.8791856	23.70696032
TG(16:0_18:1_24:0)	962.9105663	24.40454762
TG(16:0_16:0_24:1)	934.8791594	23.5322381
TG(16:0_20:1_22:6)	950.8168556	21.89953968
TG(16:0_16:0_17:0)	838.7849777	22.53321429
TG(16:0_18:2_18:3)	870.7542738	21.21304762
TG(16:1_18:1_18:1)	874.7853869	21.57722222
TG(16:1_16:1_18:1)	846.7543451	21.06900794
TG(16:1_18:1_22:5)	922.785416	21.10434921
TG(16:1_18:1_22:6)	920.7699849	20.78254762
TG(17:0_18:1_18:1)	890.8169631	22.3292381
TG(17:0_18:1_20:1)	918.8485278	22.76939683
TG(17:0_18:1_22:1)	946.8794233	23.18854762
TG(17:1_18:1_22:1)	944.8640484	22.68980952
TG(17:1_18:1_18:2)	886.7854087	21.3886746
TG(17:1_20:1_22:1)	972.8950311	23.11807143
TG(17:1_18:1_22:2)	942.8480228	22.30951587
TG(18:0_18:1_20:4)	926.8166557	22.06037302
TG(18:0_20:1_20:4)	954.8473096	22.51249206
TG(18:0_18:0_20:4)	928.8317134	22.62161905
TG(18:1_18:1_20:1)	930.8479632	22.48229365
TG(18:1_20:1_20:1)	958.8794734	22.90119841
TG(18:1_18:2_20:1)	928.832191	22.12414286
TG(18:1_18:1_20:4)	924.8007812	21.47652381
TG(18:1_18:1_20:3)	926.816526	21.73234921
TG(18:1_20:1_20:4)	952.8324805	21.96207937
TG(18:1_18:1_22:2)	956.8638686	22.51195238
TG(18:1_20:1_20:3)	954.8479723	22.26837302
TG(18:1_18:1_22:6)	948.8011268	21.3012619
TG(18:1_18:1_22:5)	950.8163728	21.49039683
TG(18:1_18:1_22:4)	952.8324691	21.83240476
TG(18:1_20:1_22:2)	984.8950793	22.88346032
TG(18:1_18:1_24:0)	988.9263846	24.17252381
TG(18:1_18:1_22:0)	960.8952908	23.55880952
TG(18:1_20:1_22:6)	976.8327373	21.80564286
TG(18:1_20:2_24:1)	1012.925712	23.38524603
TG(20:1_20:1_20:3)	982.8792857	22.6814127
MSDIAL_LPC	496.3395438	2.805366667
MSDIAL_PC	786.6003336	14.24244921
PE(37:2)	758.5692356	15.33966349
PE(42:6)	820.5848546	14.47528095
PI(38:4)	904.5905059	13.35283095
PI(38:5)	902.5751134	11.6979873
PS(34:1)	762.5268364	13.54543413
METABOLITES_END
#END