#METABOLOMICS WORKBENCH shancock_20250218_223155 DATATRACK_ID:5646 STUDY_ID:ST003757 ANALYSIS_ID:AN006169 PROJECT_ID:PR002341
VERSION             	1
CREATED_ON             	February 20, 2025, 2:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Untargeted lipidomics of gemcitabine-resistant PDAC cells
PR:PROJECT_SUMMARY               	Pancreatic ductal adenocarcinoma (PDAC) is a highly aggressive disease with few
PR:PROJECT_SUMMARY               	treatment options and poor survivability. In this work we sought to characterise
PR:PROJECT_SUMMARY               	metabolic adaptations to gemcitabine (GEMC)-based chemotherapy exposure to
PR:PROJECT_SUMMARY               	discover new therapeutic targets for improving treatment efficacy. We show that
PR:PROJECT_SUMMARY               	GEMC resistance (GEMR) upregulates de novo lipogenesis in Panc1 and MiaPaCa2
PR:PROJECT_SUMMARY               	cells.
PR:INSTITUTE                     	Victor Chang Cardiac Research Institute
PR:LAST_NAME                     	Hancock
PR:FIRST_NAME                    	Sarah
PR:ADDRESS                       	Lowy Packer Building, 405 Liverpool Street, Darlinghurst, NSW, 2010, Australia
PR:EMAIL                         	s.hancock@victorchang.edu.au
PR:PHONE                         	+61414537526
#STUDY
ST:STUDY_TITLE                   	Untargeted lipidomics of gemcitabine-resistant PDAC cells
ST:STUDY_SUMMARY                 	In this work we developed gemcitabine (GEMC) resistant (GEMR) PDAC cell lines
ST:STUDY_SUMMARY                 	from Panc1 and MiaPaCa2 cells. This dataset contains results and raw data for
ST:STUDY_SUMMARY                 	untargeted lipidomics of Panc1 cells, including control (CON), and GEMR cells
ST:STUDY_SUMMARY                 	alongside internal quality controls (iQC) and blank samples for background
ST:STUDY_SUMMARY                 	subtraction (as described under sample prep). Untargeted lipidomics enabled the
ST:STUDY_SUMMARY                 	quantification of more than 400 distinct molecular lipid species within Panc1 &
ST:STUDY_SUMMARY                 	MiaPaCa2 control (CON) & GEMR cells from 12 different classes of lipid, with 77
ST:STUDY_SUMMARY                 	molecular species being differentially abundant between Panc1 control and GEMR
ST:STUDY_SUMMARY                 	cells following unpaired t test. Data were analysed using MS-DIAL 4.9.
ST:INSTITUTE                     	Victor Chang Cardiac Research Institute
ST:LAST_NAME                     	Hancock
ST:FIRST_NAME                    	Sarah
ST:ADDRESS                       	Level 7 Lowy Packer Building, 405 Liverpool Street, Darlinghurst, NSW 2010
ST:ADDRESS                       	Australia
ST:EMAIL                         	s.hancock@victorchang.edu.au
ST:PHONE                         	+61414537526
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_STRAIN_DETAILS           	Panc1
#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           	-	Blank_cells_neg	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_cells_neg.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Blank_cells_neg_20210814030609	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_cells_neg_20210814030609.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Blank_cells_pos	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_cells_pos.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Blank_cells_pos_20210813215440	Sample source:Blank | group:Blank	RAW_FILE_NAME(Raw file name)=Blank_cells_pos_20210813215440.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	iQC_cells_neg	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=iQC_cells_neg.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	iQC_cells_neg_20210814033722	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=iQC_cells_neg_20210814033722.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	iQC_cells_pos	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=iQC_cells_pos.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	iQC_cells_pos_20210813222552	Sample source:pool | group:iQC	RAW_FILE_NAME(Raw file name)=iQC_cells_pos_20210813222552.mzML; protein amount=-
SUBJECT_SAMPLE_FACTORS           	-	Panc1_CON_p1_neg	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc1_CON_p1_neg.mzML; protein amount=149.2651285
SUBJECT_SAMPLE_FACTORS           	-	Panc1_CON_p1_pos	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc1_CON_p1_pos.mzML; protein amount=149.2651285
SUBJECT_SAMPLE_FACTORS           	-	Panc1_CON_p2_neg	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc1_CON_p2_neg.mzML; protein amount=100.2281304
SUBJECT_SAMPLE_FACTORS           	-	Panc1_CON_p2_pos	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc1_CON_p2_pos.mzML; protein amount=100.2281304
SUBJECT_SAMPLE_FACTORS           	-	Panc1_CON_p3_neg	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc1_CON_p3_neg.mzML; protein amount=79.09305324
SUBJECT_SAMPLE_FACTORS           	-	Panc1_CON_p3_pos	Sample source:Panc1 cells | group:CON	RAW_FILE_NAME(Raw file name)=Panc1_CON_p3_pos.mzML; protein amount=79.09305324
SUBJECT_SAMPLE_FACTORS           	-	Panc1_GEMR_p1_neg	Sample source:Panc1 cells | group:GEMR	RAW_FILE_NAME(Raw file name)=Panc1_GEMR_p1_neg.mzML; protein amount=184.7074903
SUBJECT_SAMPLE_FACTORS           	-	Panc1_GEMR_p1_pos	Sample source:Panc1 cells | group:GEMR	RAW_FILE_NAME(Raw file name)=Panc1_GEMR_p1_pos.mzML; protein amount=184.7074903
SUBJECT_SAMPLE_FACTORS           	-	Panc1_GEMR_p2_neg	Sample source:Panc1 cells | group:GEMR	RAW_FILE_NAME(Raw file name)=Panc1_GEMR_p2_neg.mzML; protein amount=167.9988515
SUBJECT_SAMPLE_FACTORS           	-	Panc1_GEMR_p2_pos	Sample source:Panc1 cells | group:GEMR	RAW_FILE_NAME(Raw file name)=Panc1_GEMR_p2_pos.mzML; protein amount=167.9988515
SUBJECT_SAMPLE_FACTORS           	-	Panc1_GEMR_p3_neg	Sample source:Panc1 cells | group:GEMR	RAW_FILE_NAME(Raw file name)=Panc1_GEMR_p3_neg.mzML; protein amount=129.6441352
SUBJECT_SAMPLE_FACTORS           	-	Panc1_GEMR_p3_pos	Sample source:Panc1 cells | group:GEMR	RAW_FILE_NAME(Raw file name)=Panc1_GEMR_p3_pos.mzML; protein amount=129.6441352
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were obtained from established immortalised adherent human pancreatic
CO:COLLECTION_SUMMARY            	ductal adenocarcinoma cells (Panc1). Cells were cultured in high glucose DMEM
CO:COLLECTION_SUMMARY            	containing 4.5 g/L glucose and 4 mM glutamine and were supplemented with 10%
CO:COLLECTION_SUMMARY            	FCS. Cells were cultured under 5% CO2 at 37ºC and routinely passaged every 2-3
CO:COLLECTION_SUMMARY            	days (when ~80-90% confluent). Cell lines were regularly screened for mycoplasma
CO:COLLECTION_SUMMARY            	infection.
CO:SAMPLE_TYPE                   	Pancreas
#TREATMENT
TR:TREATMENT_SUMMARY             	Panc1 GEMR cells were produced by serial treatment with escalating doses of
TR:TREATMENT_SUMMARY             	gemcitabine for approximately 12 weeks. The final concentration of GEMC for
TR:TREATMENT_SUMMARY             	Panc1 cells was 150 nM, resulting in a half-maximal inhibitory concentration of
TR:TREATMENT_SUMMARY             	720.5 nM (approximately 2.5 times increase over control (CON) cells, 273.3 nM)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Lipids were extracted from cells grown to 80-90% confluency in 6 well plates
SP:SAMPLEPREP_SUMMARY            	using a modified methyl tert-butyl ether (MTBE) method. Adherent cells were
SP:SAMPLEPREP_SUMMARY            	washed with ice-cold PBS and scraped into methanol containing 0.01% butylated
SP:SAMPLEPREP_SUMMARY            	hydroxytoluene and 100 pmol each of internal standards (phosphatidylcholine
SP:SAMPLEPREP_SUMMARY            	19:0/19:0, phosphatidylethanolamine 17:0/17:0, phosphatidylserine 17:0/17:0,
SP:SAMPLEPREP_SUMMARY            	lysophosphatidylcholine 17:0, lysophosphatidylethanolamine 14:0,
SP:SAMPLEPREP_SUMMARY            	phosphatidylglycerol 17:0/17:0, phosphatidic acid 17:0/17:0, ceramide
SP:SAMPLEPREP_SUMMARY            	d18:1/17:0, dihydrosphingomyelin 12:0, cholesteryl ester 22:1, diacylglycerol
SP:SAMPLEPREP_SUMMARY            	17:0/17:0, D5-triacylglycerol 16:0/16:0/16:0 and cardiolipin
SP:SAMPLEPREP_SUMMARY            	14:0/14:0/14:0/14:0). An empty well was also scraped for use in background
SP:SAMPLEPREP_SUMMARY            	subtraction. To this, MTBE was added at a ratio of 3:1 v/v, and extracts were
SP:SAMPLEPREP_SUMMARY            	rotated overnight at 4ºC. Following overnight rotation, 1 part of ice-cold 150
SP:SAMPLEPREP_SUMMARY            	mM ammonium acetate was added, samples were vortexed vigorously and centrifuged
SP:SAMPLEPREP_SUMMARY            	at 2000 x g for 5 min. The upper organic phase containing lipids was transferred
SP:SAMPLEPREP_SUMMARY            	into a 1.5 mL autosampler vial and dried under N2 at 37ºC Dried lipids were
SP:SAMPLEPREP_SUMMARY            	reconstituted in chloroform:methanol:water (60:30:4.5 v/v/v), transferred to a
SP:SAMPLEPREP_SUMMARY            	sleeved vial, and stored at -20ºC until analysis. The aqueous phase containing
SP:SAMPLEPREP_SUMMARY            	the protein pellet was dried under N2 and digested with 1M NaOH overnight at
SP:SAMPLEPREP_SUMMARY            	4ºC. Digested protein was diluted 1:2 v/v with water and protein concentration
SP:SAMPLEPREP_SUMMARY            	was determined using a Pierce BCA assay kit (ThermoFisher Scientific)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	Acetonitrile:water (3:2 v/v), 10 mM Ammonium Formate, 0.1% Formic acid
CH:SOLVENT_B                     	Acetonitrile:isopropanol (1:9 v/v), 10 mM Ammonium Formate, 0.1% Formic acid
CH:FLOW_GRADIENT                 	As described by Hu et al. 2008 J Proteome Research
CH:FLOW_RATE                     	0.26 ml/min
CH:COLUMN_TEMPERATURE            	60
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Source conditions were as follows: a spray voltage 4.0 kV in positive ion mode
MS:MS_COMMENTS                   	and 3.5 kV in negative ion mode, capillary temperature 290°C, S lens RF 50, and
MS:MS_COMMENTS                   	auxiliary gas heater temperature of 250°C. Nitrogen was used as both source and
MS:MS_COMMENTS                   	collision gas, with the sheath gas flow rate set at 20 and the auxiliary gas
MS:MS_COMMENTS                   	flow rate at 5 (arbitrary units). Data were acquired in full scan/data-dependent
MS:MS_COMMENTS                   	MS2 mode (full-scan resolution 70,000 FWHM, max ion injection time 50 ms, scan
MS:MS_COMMENTS                   	range m/z 200–1,500), with the 10 most abundant ions being subjected to
MS:MS_COMMENTS                   	collision-induced dissociation using an isolation window of 1.5 Da and a
MS:MS_COMMENTS                   	normalized stepped collision energy of 15/27 eV. Product ions were detected at a
MS:MS_COMMENTS                   	resolution of 17,500. An exclusion list for background ions was developed using
MS:MS_COMMENTS                   	extraction blanks, and mass calibration was performed in both positive and
MS:MS_COMMENTS                   	negative ionization modes before analysis to ensure mass accuracy of 5 ppm in
MS:MS_COMMENTS                   	full-scan mode.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	nmol/mg protein
MS_METABOLITE_DATA_START
Samples	Panc1_CON_p1_neg	Panc1_CON_p2_neg	Panc1_CON_p3_neg	Panc1_GEMR_p1_neg	Panc1_GEMR_p2_neg	Panc1_GEMR_p3_neg
Factors	Sample source:Panc1 cells | group:CON	Sample source:Panc1 cells | group:CON	Sample source:Panc1 cells | group:CON	Sample source:Panc1 cells | group:GEMR	Sample source:Panc1 cells | group:GEMR	Sample source:Panc1 cells | group:GEMR
CL 16:0_18:1_18:1_18:1	0.046299888	0.060642026619088615	0.0883901	0.042934139984523646	0.034097760004876874	0.041595911461150534
CL 16:1_16:1_16:1_18:1	0.017799202711822427	0.018726381276362274	0.022957167072038306	0.12613146067484174	0.088290524	0.080134336
CL 16:1_18:1_16:1_18:1	0.051149179	0.063528391	0.075549561	0.17620738141581127	0.13978199412378778	0.14492574254622492
CL 18:1_18:1_18:1_18:1	0.1318863527650121	0.1588360871203502	0.2319986636237598	0.058186688	0.056360896226513864	0.088919528
PC 14:0_14:0	0.060606894	0.057103949	0.099689509	0.1531103886895184	0.15296765520789185	0.089633567
PC 14:0_16:0	0.4398476148937144	0.4804030260934881	0.6993402526518969	0.839537178	0.6848980409803017	0.6083834084706281
PC 14:0_16:1	0.092109915	0.091749474	0.15982798165438622	0.37289235556409356	0.32922311368474144	0.15865965750027627
PC 14:0_20:4	0.006678793	0.007682983	0.014371940210625815	0.015662937	0.012189175196620848	0.007264644
PC 16:0_16:0	0.6967508933816068	0.8008663591758123	1.216787949916214	1.291630815715034	0.9677322294159371	0.883668973
PC 16:0_16:1	1.1003912052207843	1.1917721826081509	1.7430210044236918	2.4303729806855947	1.7513907794081358	1.5638586005918063
PC 16:0_17:1	0.094208212	0.11837004527612105	0.1374983452071948	0.095098817	0.067320749	0.083377863
PC 16:0_18:0	0.14065010080953408	0.14390458031029515	0.2280976402618228	0.091379728	0.083622269	0.1143682049857736
PC 16:0_18:1	3.456733621547543	3.4214325212208045	5.204970513085755	3.810401712650357	3.052602720183229	3.9128673053036214
PC 16:0_19:1	0.097215539	0.10839752059254726	0.17320000993918783	0.081635566	0.064485997	0.082247692
PC 16:0_20:4	0.11155784448421945	0.13626066975551043	0.22665255273277798	0.098868681	0.080642692	0.080288648
PC 16:0_22:6	0.060840626	0.079210124	0.12483859957708132	0.035088994682741945	0.033465670170601515	0.043272414
PC 16:1_16:1	0.072760925	0.07981419	0.16894376690863086	0.30923679016225003	0.3556530341197348	0.19542972132933695
PC 16:1_18:1	0.8437029497330439	0.9134353123612106	1.388403356	2.165473934779865	1.5529397478468256	1.3517511295602789
PC 16:1_18:2	0.041463445	0.040199651822382214	0.079589713	0.1359729758618784	0.14048596459262716	0.084348541
PC 16:1_20:4	0.008247041	0.010169955200033888	0.016673177123925718	0.014686955752213298	0.013151579830629792	0.008093617
PC 16:1_22:6	0.008157007	0.009895879	0.017815905451663602	0.009633175	0.010018306543327934	0.006217005
PC 17:0_18:1	0.027031573	0.035460005737537145	0.061862452	0.016812296096307133	0.026535286	0.030473727409370908
PC 17:0_19:0	0.004574204	0.007704272	0.005754765	0.002762366	0.002903585	0.004273912
PC 17:1_18:1	0	0	0.020562859	0	0	0.011563014183447141
PC 18:0_18:1	0.7204545339224534	0.7313520913308517	1.0868013368926515	0.47273925693017377	0.4028179706646606	0.5843644135869693
PC 18:0_20:4	0.052686053631482564	0.073287397	0.12112432561556354	0.028164837	0.026967372454711543	0.034046630031943366
PC 18:0_22:5	0.036010421	0.046410579303686805	0.074273619	0.027490762733743474	0.024806015	0.024990366112063442
PC 18:0_22:6	0.039661131	0.050698152	0.082282832	0.014375013485458702	0.016369211488730898	0.021578749211164396
PC 18:1_16:2	0.005817181	0.006406166	0.009594098	0.013587757594538742	0.009575407	0.005827671
PC 18:1_18:1	2.0012533679739652	2.130248483568972	3.182465261	2.588892972016139	2.3444871269565613	2.940372265415712
PC 18:1_18:2	0.29800917380385167	0.31815574310865247	0.5038996532129076	0.6130542040122308	0.44075513003054984	0.4153789027588308
PC 18:1_19:1	0.063639655	0.071611988	0.1120042827328695	0.045406926	0.042404586	0.066764396
PC 18:1_20:1	0.27048205600234243	0.29850990450805315	0.414295317	0.25355380386704857	0.20989300168499345	0.30429447958316197
PC 18:1_20:2	0.15266107626820843	0.15287852501637444	0.232953798	0.255150555	0.19068375778459304	0.18590713482598306
PC 18:1_20:3	0.10653917361139767	0.11864138022748941	0.19648115031572683	0.1335500116794015	0.094759129	0.098461215
PC 18:1_20:4	0.16789993898347422	0.21714145948001237	0.339101161	0.15145540405272284	0.13268027061379867	0.12785527756811738
PC 18:1_22:2	0.036614631	0.037018605	0.051427218	0.038794784	0.027289857059594535	0.030398458422931474
PC 18:1_22:3	0.066557362	0.072465627	0.10272465762829659	0.092638055	0.071993164	0.065837403
PC 18:1_22:4	0.024433144	0.030874576599001387	0.052500501	0.020284215	0.025246347	0.020924627669025725
PC 18:1_22:5	0.042637696213240574	0.05567618	0.086621862	0.044406857439944124	0.039471575	0.040672287
PC 18:1_22:6	0.091345628	0.1210068817422878	0.18859990835828028	0.048272198	0.045543595979990574	0.051653889175881325
PC 18:1_24:1	0.012211937	0.011535981039744932	0.015084490375037986	0.007848136	0	0.007320644
PC 18:1_24:3	0.016276697421473474	0.015569697995082893	0.023297979	0.010566000558181096	0.007718061	0.008707365
PC 18:1_24:5	0.018602880711066676	0.020902995	0.032243110355375866	0.008166102	0.008171059	0.008076418
PC 18:1_24:6	0.021969057	0.027995183518601717	0.039831426349151225	0.009432655	0.009454919	0.013662346012645024
PC 18:2_18:2	0.017418009429420865	0.020331236635187742	0.03550803	0.031730515	0.020931852	0.017790188
PC 20:1_20:1	0.036117002	0.040299042	0.051079185	0.027844252	0.020018198	0.02985903
PC 20:1_22:6	0.009213631	0.009705032	0.013751836	0	0	0.004099977
PC 36:6	0.004388398	0.006167572	0.009466302	0.004132937	0.00497597	0.004546026
PC 38:3	0.021045353	0	0.038697118	0	0	0
PC 42:6	0.008979567	0.013144995134624115	0.016226227508851155	0.006592679	0.004790181	0.007818194
PC O-16:0_14:0	0.40573862584985526	0.40172950821225933	0.6350621376110658	0.43956684808021185	0.454671618	0.6266296114360201
PC O-16:0_16:0	0.271521785	0.2912799290796896	0.5004241218244379	0.3168384495600505	0.46135173341142527	0.4811421307972771
PC O-16:0_16:1	0.6983331229022212	0.7185361567248414	1.0524805263811332	0.8306561446308165	0.7877397522563699	1.035681147704086
PC O-16:0_20:0	0.013022261798972794	0.012742306557787795	0.00871995	0.010585043668083235	0.009967902	0.012634656
PC O-16:0_20:1	0.3846120028318584	0.34041211878800187	0.480069864	0.3161957862500205	0.32744265919656024	0.5030801159838425
PC O-16:0_20:3	0.035157723	0.040563544	0.043419948	0.040314657	0.031877941702075425	0.063894515
PC O-16:0_20:4	0.2506169769169586	0.2957854824660315	0.4148205596019316	0.1283876829208328	0.098067231	0.19715278929771868
PC O-16:0_20:5	0.026527506152028656	0.033239256	0.05116984	0.016323092752531587	0.016823204704315562	0.025498339
PC O-16:0_21:3	0.016116972	0.017626980584684933	0.024707581069875178	0.024377362	0.022305075	0.022689169
PC O-16:0_22:1	0.096136406	0.090395923	0.12058155683324422	0.09830323	0.096742328	0.12128436106722243
PC O-16:0_22:2	0.15933932892515054	0.16215582287710764	0.21248697233913716	0.1932281993390668	0.18975240494186765	0.2376242480974134
PC O-16:0_22:3	0.23910557616899622	0.22115164603306367	0.2975112492940522	0.3159183916898223	0.27590033750472087	0.305642048
PC O-16:0_22:4	0.1499727304314284	0.16676105290376256	0.25481257487810394	0.20765781654873108	0.20839780134904493	0.21992794072767355
PC O-16:0_24:3	0.072312078	0.075399141	0.10211143523235129	0.066464847	0.066051243	0.080221046
PC O-16:0_24:5	0.060704443	0.069083289	0.10502180586665703	0.037406701	0.039263897	0.049960418
PC O-16:0_24:6	0.064758613	0.074433958	0.1124564699067508	0.027621207925508682	0.035243196	0.054279606
PC O-16:1_14:0	0.06042058	0.069418945	0.088451527	0.084602018	0.089540357	0.11965140972962779
PC O-16:1_16:0	0.17646611408453972	0.18459105145179625	0.25529611982342165	0.26485820973024415	0.22809735595796246	0.28118707447064445
PC O-16:1_16:1	0.083853313	0.094323167	0.13080978831447007	0.16458352365899723	0.14532326714850227	0.1764304926324007
PC O-16:1_18:1	0.17042696265195528	0.17162271517993152	0.2692281388849845	0.28885445628572143	0.23847956065542825	0.35735817691126653
PC O-16:1_18:2	0.030652487	0.033754819312546265	0.046709957	0.083172299	0.070666212	0.072695879
PC O-16:1_20:1	0.068588063	0.063308998	0.08412122	0.078023919	0.068809819	0.11299002914917007
PC O-16:1_20:3	0	0.018529741392832925	0	0	0.015163064467459467	0.014822026
PC O-16:1_20:4	0.048452571	0.06534334	0.10065115878276695	0.038763855087048625	0.039923117	0.047762428143321205
PC O-16:1_22:1	0.013157051619166395	0.012840891300082884	0.017930422	0.017053208207300535	0.014393075580732113	0.019517257449045176
PC O-16:1_22:4	0.023525335	0.029963279	0.046040823	0.018402424	0.015153274146377613	0.017971026
PC O-16:2_18:0	0.2192171934671308	0.24296977479418622	0.3331842735902263	0.3660125795243284	0.3231914544577897	0.38438827870127834
PC O-18:0_16:0	0.18303409102609655	0.1772044705502091	0.25869089143416185	0.083390269	0.091354901	0.1477717131247352
PC O-18:0_24:5	0.012819751	0.014470419428974184	0.020204074577587827	0.007044005	0.007572744	0.009247931
PC O-18:1_16:0	1.7097325580495508	1.7416498406485479	2.595512658	2.0461245431928954	1.8444021333052836	2.544765977583617
PC O-18:1_16:1	0.068159055	0.072942186	0.10526079623818628	0.098914244	0.094545073	0.1390379743216987
PC O-18:1_18:1	0.3622474873129015	0.3631437430796613	0.5376582765520359	0.571463679	0.5143631300589254	0.6954832573546826
PC O-18:1_20:4	0.18642516080450217	0.22988231244856375	0.3441164442386434	0.19882943701770822	0.20270528991595838	0.24902304640784548
PC O-18:1_22:1	0.048298384	0.046863369	0.062316502841337267	0.053120343	0.052560685	0.063373064
PC O-18:1_22:3	0.12209444744926914	0.12581942225637455	0.18497722972625988	0.13880775812477256	0.13682260769643503	0.15033856044487023
PC O-18:1_22:4	0.047647361	0.05726064	0.078636944	0.051007244202061784	0.054309027	0.062449244
PC O-18:1_24:2	0.007264195	0.00740762	0.009548982	0.007225662	0.006101881	0.006855975
PC O-18:1_24:3	0.014755660488442872	0.015780834	0.022220731830605314	0.010715850929942232	0.011163774	0.013422244431613719
PC O-18:1_24:4	0.008615363	0.009279512	0.013163641025697925	0.004893477	0.005765461	0.006275938
PC O-18:1_24:5	0.015979336	0.018616096877327043	0.029950546	0.00677737	0.008611174	0.011902764073345175
PC O-18:1_24:6	0.018146451099408305	0.021968654	0.030313075566881214	0.007572454	0.010861803196481782	0.018903083829890997
PC O-18:2_16:1	0.003081253	0.003298037	0.006888803	0.007059158	0.010377396591763448	0.008819932
PC O-18:2_18:1	0.15947329268431215	0.1576623622613145	0.22712988018893152	0.24871324213612298	0.1890719843232047	0.2334071001641511
PC O-18:2_22:1	0.009885193	0.010583794785378459	0.004467564	0.012694886079389572	0.012426661	0.013910233
PC O-18:2_22:3	0.02957352	0.036586039	0.051889621	0.040590714175236686	0.039186811	0.038241390682425595
PC O-18:2_22:4	0.070654712	0.074967377	0.12022401741560576	0.04306874	0.05039251	0.056777577291411634
PC O-18:2_22:6	0.025118502316301822	0.030450333272854596	0.045656014	0.022482214	0.026925228984117505	0.034878388
PC O-19:1_16:0	0.042618086	0.040584955335464086	0.066799594	0	0.030862795228914153	0.043902359
PC O-19:1_18:1	0.018382096	0.017900023	0.026381628763745203	0.015628258029662286	0.016368673534471728	0.021315487
PC O-20:1_18:1	0.017945304093987743	0.017484279750283615	0.024346618	0.018904588103864865	0.026249752633853186	0.03283406
PC O-22:5_16:0	0.059916614	0.07403822	0.10962702800368447	0.059153373	0.058769954	0.062519487
PC O-24:1_16:0	0.032874183	0.03019082	0.039740051	0.026303605977456422	0.025873030632333864	0.028636823640448613
PC O-24:1_18:1	0.010314413141761382	0.009668798	0.013123013338351992	0.008932327	0.007879289	0.009155287
PE 14:0_16:0	0.005524023	0.006041889	0.008711653	0.022321874	0.017285316	0.015199555191177725
PE 14:0_16:1	0.002872768	0.002562769	0.003151439	0.014852143898814344	0.010251070228727881	0.005654713
PE 16:0_16:0	0.023993708579294556	0.026820996559297813	0.033980949	0.058441959	0.043431816443345664	0.039699243
PE 16:0_16:1	0.069093235	0.083845375	0.097465834	0.2389904190388947	0.16586811882563682	0.1468298160667831
PE 16:0_18:1	0.2565801761876512	0.3315844619191415	0.37922920807378807	0.6323031723314246	0.4802624230461178	0.5478720014047371
PE 16:0_20:3	0.006490918	0.007600641	0.009709504	0.013417559	0.009811805	0.006228041
PE 16:0_20:4	0.028788781614265787	0.041199802	0.0546691	0.049909222	0.033998446652239736	0.032177986735622936
PE 16:1_16:1	0.013687075635384518	0.014683527501632434	0.014529572260314667	0.060875499	0.038688414718546636	0.024306403205816566
PE 16:1_18:1	0.1790448789462118	0.21289818530613958	0.25974677472768026	0.6367090645508514	0.42716455759870986	0.39523834956925785
PE 16:1_18:2	0.004178893	0.005714569	0.005224106	0.020802928958961985	0.012622709941871637	0.008194113
PE 16:1_22:6	0.006597273	0.008270204	0.010721059676143039	0.006518517	0.005461616	0.002888351
PE 17:0_17:0	0.02993867	0.042883536217758214	0	0	0	0.015338774824725834
PE 17:0_19:0	0.002560563	0.003016497	9.150082517270637e-4	9.49776844439705e-4	0.001513831	0.002175811
PE 17:1_18:1	0.017798756434927628	0.022806380340569483	0.029959387663034506	0.025185324	0.018023716	0.021966584
PE 18:0_18:1	0.4867702205070294	0.5862676709660869	0.7708826533245208	0.5172686376830402	0.4422464963685764	0.6578529262299212
PE 18:0_20:1	0.021243282450583555	0.027210543	0.033212173	0.018471981	0.015352860547526603	0.025580008
PE 18:0_20:3	0.056225626	0.065847242	0.089035	0.073173307	0.047180212	0.055500456
PE 18:0_20:4	0.2794323521381311	0.3577562776534484	0.5201958372865573	0.2958910520278875	0.2571740580987628	0.3031305695071255
PE 18:0_22:3	0.017487255205896023	0.024054886949581574	0.028251867763103174	0.023956627733978934	0.018149730386742096	0.020512178
PE 18:0_22:5	0.051791338	0.06332071	0.084435075	0.055091059844478006	0.041865485450994146	0.049283029656046105
PE 18:0_22:6	0.023656601181835733	0.027758768787327994	0.046197089	0.020409279210156672	0.020180747163192986	0.021054621078806388
PE 18:0_24:5	0.008306173	0.010023588326721053	0.013336140994206006	0.005036599	0.004507761	0.005918582
PE 18:1_18:1	0.6143367191568635	0.719930442	0.9398381637530937	1.4337462829548486	0.9898771588027596	1.1969939218242984
PE 18:1_18:2	0.07162819	0.089384535	0.11552896700326454	0.21256484248084298	0.14593638222295788	0.12138551243094341
PE 18:1_19:1	0.024182268830549886	0.029199574	0.036748143	0.032551058	0.022459747552362585	0.029852398
PE 18:1_20:1	0.11465747888463867	0.13431192267132963	0.170894299	0.17875604222358013	0.13424845735692753	0.17101445523248854
PE 18:1_20:2	0.049198831654917376	0.063670023	0.098840032	0.14919334266502454	0.085845742	0.087400369
PE 18:1_20:3	0.066279237	0.093781669	0.12100986271721566	0.11203925372729837	0.077700013	0.079907428
PE 18:1_20:4	0.14157611694304265	0.18143166556482646	0.25408398153263617	0.20611840681089183	0.1678905908928485	0.16735285548344211
PE 18:1_22:1	0.033467371	0.041931589	0.052277781	0.036881182254143746	0.028725515753126728	0.041827148
PE 18:1_22:2	0.023331402651533696	0.025661579243878577	0.032977017	0.040944709261188726	0.028418641810092737	0.029780302596187556
PE 18:1_22:3	0.035430743	0.040348716	0.052049705313496786	0.080193812	0.049940010868584135	0.048509534828245986
PE 18:1_22:4	0.027085683542910254	0.038357824	0.047007018	0.05697006	0.04138177	0.039140845
PE 18:1_22:6	0.086031131	0.11304642108637875	0.15516082970344763	0.088246633	0.070345188	0.06767299
PE 18:1_24:1	0.018435871263996734	0.020609689596040967	0.024269878238256402	0.015037431729547494	0.010744927804841469	0.020481736
PE 18:1_24:2	0.005629162	0.006572022	0.011034940855348915	0.006135159	0.004960658	0.005433392
PE 18:2_18:2	0.004641625	0.006479108	0.006827308	0.014377083646207267	0.006921869	0.00513886
PE 22:0_18:1	0.005882211	0.006871698	0.008906465	0.004127969	0.003532294	0.004800783
PE 24:0_18:1	0.008367496	0.00930802	0.010231725574201852	0.003053631	0.002656984	0.004329913
PE O-16:1_16:0	0.019651947165603045	0.021817844	0.024570598900801297	0.077072411	0.049725676	0.050448905
PE O-16:1_16:1	0.052414735	0.061283754774186495	0.08020275	0.15267429827036488	0.0948712	0.13002766424192228
PE O-16:1_18:1	0.4481083376801127	0.49924649070095706	0.6283355170056663	1.0743671842220806	0.5753043417456384	0.8953619735965129
PE O-16:1_20:1	0.26388608160663507	0.29950409756725677	0.3445999962921647	0.3958345096950947	0.28515515180476253	0.439523983
PE O-16:1_20:3	0.049952200439665084	0.048168505	0.061677161	0.099913559	0.054538938	0.058444468522746526
PE O-16:1_20:4	0.041270996	0.046730386	0.071678454	0.049277905	0.085331254	0.039012377774316175
PE O-16:1_20:5	0.022049141	0.026542339851318243	0.038872804666327594	0.030864180011137467	0.022867255185308046	0.031834365057988236
PE O-16:1_21:3	0.013756069024132539	0.018602402	0.020226095231055733	0.045895545	0.02761791	0.028549424043059178
PE O-16:1_22:1	0.075434452	0.079694662	0.089336682	0.13028791519338545	0.09243064	0.12796779016139787
PE O-16:1_22:3	0.21352400649786876	0.22621959107864392	0.2787674161511769	0.717265025	0.404356864	0.4041376227381519
PE O-16:1_22:4	0.1972996076568064	0.23671170881514214	0.3156453169435838	0.44712850460028025	0.31547793108111943	0.33827417965549056
PE O-16:1_22:5	0.075223482	0.096025179	0.12907414785382618	0.031192102684211326	0.032863682	0.04618495
PE O-16:1_22:6	0.5042842199757887	0.6470865276439097	0.8427879072380648	0.43701409937991126	0.39648213437010255	0.5885554956269801
PE O-16:1_24:6	0.071018654	0.096759379	0.12952282433935344	0.037589279658952056	0.040694693	0.06629355
PE O-17:1_20:4	0.008252814	0.008606672	0.014830497663169413	0.004469359	0.003781218	0.00500251
PE O-17:1_22:3	0.010433273	0.011246148719361585	0.013910513745772768	0.017691641047700924	0.013093897330664676	0.014827601224225218
PE O-18:1_16:0	0.018102878	0.017417122395316044	0.020439801	0.017565872919960736	0.015437223139882416	0.023749058083144974
PE O-18:1_20:4	0.1320888211367452	0.16447725765749854	0.2356500139442061	0.079281991	0.061124045	0.083508545
PE O-18:1_22:1	0.014006805574102676	0.013567654	0.014183475	0.016513960483878334	0.012156461	0.017976138
PE O-18:1_22:3	0.040607155917661945	0.045646175	0.053049818874485184	0.033729126	0.028063211760967488	0.038758325531730656
PE O-18:1_22:5	0.020889704244405324	0.026187464124277412	0.035820598	0.003845744	0.0045484	0.007152861
PE O-18:1_22:6	0.16350858156494952	0.20010987562403376	0.2883358259740917	0.048598511	0.046132020100244225	0.087088558
PE O-18:1_24:5	0.011698872474856622	0.015736601964417576	0.019847049496487284	0.004948498	0.003625199	0.005162216
PE O-18:1_24:6	0.019956863	0.025650515	0.031731215	0.004227387	0.005529528	0.010521844973801492
PE O-18:2_16:1	0.017785317	0.023973809040360068	0.029002131486440274	0.082041551	0.04980222	0.060718139
PE O-18:2_18:1	0.19601459766212856	0.21220247707295758	0.27241048664610956	0.5846193387433731	0.3774198250798989	0.4714441928809527
PE O-18:2_20:1	0.12000013027717098	0.13521980886861232	0.1559418187574697	0.3168628687786929	0.20617265441878663	0.27943174745023663
PE O-18:2_22:1	0.038386659075317735	0.039993865545435284	0.047735412742960295	0.093787868	0.060978814802594816	0.081323168
PE O-18:2_22:2	0.040595794	0.045616071	0.054411989	0.10223220718315035	0.065136122	0.07491753
PE O-18:2_22:3	0.11740430327919353	0.12500795140238863	0.1543375784403507	0.3130092521158231	0.21108303317898544	0.21368396646724228
PE O-18:2_22:4	0.081798586	0.10699293004000315	0.13795474689001153	0.187872262	0.1386074289980555	0.1585579335318329
PE O-18:2_22:5	0.064421332	0.08617018	0.1131707014547903	0.10633294718473767	0.095552323	0.12373839370774668
PE O-18:2_22:6	0.15859446576474065	0.210520093	0.2882004783450739	0.17820655988712447	0.17051654136817496	0.23715251155671704
PE O-18:2_24:5	0.018436267206094623	0.022968892863250448	0.029508811377887956	0.011833244109957059	0.010781018455294583	0.015063412449433846
PE O-18:2_24:6	0.018568164	0.024500863653575258	0.031628359	0.014635104546187341	0.015563022	0.025628362422234954
PE O-20:1_16:0	0.006145062	0.00709353	0.007607236	0.008355284	0.00618003	0.011699369134338063
PE O-20:1_20:4	0.010918288887361287	0.014247634922852269	0.017023961546423043	0.008451489	0.006539472	0.007707891
PE O-20:1_22:6	0.008966401	0.010889643721612262	0.013829188990139804	0.004098756	0.003697829	0.005833087
PG 14:0_18:1	0.003945509	0.002591902	0.003208253	0.009912179	0.009559405	0.007221131
PG 16:0_18:1	0.084732482	0.083784594	0.11662974522948295	0.14411697799135226	0.12562665414136723	0.14323370328558074
PG 17:0_19:0	0.033788396070252726	0.037136104821686486	0.053242907	0.024458356	0.023074579502411798	0.030802311144902436
PG 18:1_18:1	0.038959398	0.032155969683822505	0.041341146743436724	0.052821305	0.057683257	0.059306476168124324
PG 18:1_18:2	0.006189521	0.005342399	0.006120862	0.027001516778173893	0.019596545195232403	0.018257691384510562
PG 18:1_20:2	0.019650156344418006	0.014643282375789626	0.016059407	0.068114605	0.047743766	0.041206637
PG 18:1_20:3	0.004405965	0.001365073	0.001063049	0.018684085731861838	0.010822226638684212	0.008624648
PG 18:1_20:4	0.002255678	0.002060552	0.002061892	0.011633491412354783	0.008029348	0.005256016
PG 18:1_22:6	0.023440209	0.026895746	0.040248159	0.019240292	0.023918973304165748	0.033070195
PS 16:0_16:0	0.025878172	0.028930723	0.041372581	0.10005973053434554	0.062892696	0.048786342
PS 16:0_16:1	0.023495929740457226	0.022588651308881384	0.03275848	0.097991436	0.07826948	0.041704708
PS 16:0_18:1	0.3044110104306177	0.30356153500929595	0.4188706915928463	0.6457998547230014	0.492075178	0.4772078103283209
PS 16:1_18:1	0.03527441	0.033882930316938245	0.050788904	0.1582060744134062	0.12243845009235094	0.07520441
PS 18:0_18:1	1.0792810782171298	1.1198665116337259	1.5489265641564467	0.998712319	0.8824738168053805	1.1980543937982413
PS 18:0_20:3	0.015112623818183544	0.013121429524278158	0.15911811002483636	0.050562888	0.030163488553756366	0.1194015234751554
PS 18:0_20:4	0.082546665	0.098096144	0.1595473903299751	0.07604016	0.081873764	0.060711327262283565
PS 18:0_22:6	0.22523531177902367	0.25230569546824794	0.388948801	0.12332392148940115	0.1282125252237835	0.13423918685955363
PS 18:1_18:1	0.091503761	0.024414140047678733	0.45927808457114816	0.2744273124603472	0.1362658483307345	0.699397853
PS 18:1_18:2	0.026001926947881615	0.028935839333639152	0.037711215	0.070514104	0.045011831	0.038955606740218605
PS 18:1_20:1	0.013698668427796268	0.010408067684860552	0.077607912	0.043090086854893205	0.046458965398550385	0.11269422749260506
PS 18:1_20:3	0.020682974	0.025246329027601797	0.030114483693354385	0.034645623	0.021626853142936168	0.026985107
PS 40:6	0.004969202	0.002124218	0.013558653477503176	0.006021089	0.003091733	0.022158515
PS 40:7	0.022737103	0.026422097778423505	0.046098183	0.027427777822737885	0.0312239	0.020242063
PS O-18:0_18:1	0.056490308	0.053903477	0.074681139	0.024368355747202333	0.031343164	0.057267261
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Average Rt(min)	Average Mz
CL 16:0_18:1_18:1_18:1	21.051	1430.01123
CL 16:1_16:1_16:1_18:1	18.29	1371.93591
CL 16:1_18:1_16:1_18:1	19.319	1399.96362
CL 18:1_18:1_18:1_18:1	21.125	1456.02808
PC 14:0_14:0	8.645	722.4978
PC 14:0_16:0	9.932	750.52911
PC 14:0_16:1	8.845	748.51294
PC 14:0_20:4	8.895	798.53235
PC 16:0_16:0	11.205	778.56061
PC 16:0_16:1	10.09	776.54633
PC 16:0_17:1	8.602	790.56226
PC 16:0_18:0	12.487	806.59296
PC 16:0_18:1	11.332	804.57776
PC 16:0_19:1	11.927	818.59161
PC 16:0_20:4	10.18	826.56061
PC 16:0_22:6	9.874	850.56049
PC 16:1_16:1	7.402	774.52936
PC 16:1_18:1	10.259	802.55994
PC 16:1_18:2	7.689	800.54706
PC 16:1_20:4	9.065	824.54504
PC 16:1_22:6	8.791	848.54626
PC 17:0_18:1	10.133	818.59174
PC 17:0_19:0	13.653	834.6236
PC 17:1_18:1	8.73	816.57898
PC 18:0_18:1	12.57	832.6073
PC 18:0_20:4	11.447	854.59265
PC 18:0_22:5	11.49	880.60773
PC 18:0_22:6	11.11	878.59106
PC 18:1_16:2	9.836	800.54407
PC 18:1_18:1	11.465	830.59283
PC 18:1_18:2	10.552	828.57568
PC 18:1_19:1	12.042	844.60962
PC 18:1_20:1	12.64	858.62262
PC 18:1_20:2	11.676	856.60742
PC 18:1_20:3	10.868	854.59235
PC 18:1_20:4	10.291	852.57782
PC 18:1_22:2	12.843	884.6394
PC 18:1_22:3	12.104	882.62372
PC 18:1_22:4	9.824	880.60846
PC 18:1_22:5	10.346	878.591
PC 18:1_22:6	9.967	876.57843
PC 18:1_24:1	14.889	914.68732
PC 18:1_24:3	13.173	910.65723
PC 18:1_24:5	11.551	906.62262
PC 18:1_24:6	10.763	904.60706
PC 18:2_18:2	9.631	826.56024
PC 20:1_20:1	13.764	886.65558
PC 20:1_22:6	11.155	904.60791
PC 36:6	8.615	822.53162
PC 38:3	12.336	856.6076
PC 42:6	9.758	906.61798
PC O-16:0_14:0	10.738	736.5506
PC O-16:0_16:0	10.337	764.58087
PC O-16:0_16:1	10.96	762.56708
PC O-16:0_20:0	14.509	820.64441
PC O-16:0_20:1	13.339	818.62903
PC O-16:0_20:3	9.999	814.59668
PC O-16:0_20:4	8.88	812.58093
PC O-16:0_20:5	10.109	810.56744
PC O-16:0_21:3	12.197	828.61401
PC O-16:0_22:1	14.513	846.66211
PC O-16:0_22:2	13.477	844.64575
PC O-16:0_22:3	12.815	842.6297
PC O-16:0_22:4	11.91	840.61511
PC O-16:0_24:3	13.732	870.6593
PC O-16:0_24:5	12.276	866.62952
PC O-16:0_24:6	11.429	864.61353
PC O-16:1_14:0	10.537	734.53473
PC O-16:1_16:0	11.847	762.56641
PC O-16:1_16:1	10.752	760.55017
PC O-16:1_18:1	11.951	788.58191
PC O-16:1_18:2	10.915	786.565
PC O-16:1_20:1	13.155	816.61481
PC O-16:1_20:3	11.655	812.58099
PC O-16:1_20:4	10.728	810.56744
PC O-16:1_22:1	14.301	844.64539
PC O-16:1_22:4	12	838.59747
PC O-16:2_18:0	11.11	788.58221
PC O-18:0_16:0	13.309	792.61255
PC O-18:0_24:5	13.453	894.6604
PC O-18:1_16:0	12.138	790.59772
PC O-18:1_16:1	9.391	788.58209
PC O-18:1_18:1	12.263	816.61206
PC O-18:1_20:4	11.036	838.59778
PC O-18:1_22:1	14.587	872.67639
PC O-18:1_22:3	12.95	868.64624
PC O-18:1_22:4	11.96	866.63019
PC O-18:1_24:2	14.766	898.69232
PC O-18:1_24:3	13.877	896.6745
PC O-18:1_24:4	13.227	894.66077
PC O-18:1_24:5	12.337	892.64539
PC O-18:1_24:6	11.497	890.63031
PC O-18:2_16:1	9.156	786.56512
PC O-18:2_18:1	12.023	814.59875
PC O-18:2_22:1	14.396	870.65918
PC O-18:2_22:3	12.73	866.62939
PC O-18:2_22:4	11.885	864.61346
PC O-18:2_22:6	10.484	860.58081
PC O-19:1_16:0	12.752	804.61346
PC O-19:1_18:1	12.976	830.62805
PC O-20:1_18:1	11.99	844.64368
PC O-22:5_16:0	11.552	838.59772
PC O-24:1_16:0	15.764	874.69269
PC O-24:1_18:1	15.796	900.70886
PE 14:0_16:0	10.194	662.47693
PE 14:0_16:1	9.092	660.46057
PE 16:0_16:0	11.494	690.50848
PE 16:0_16:1	10.373	688.49402
PE 16:0_18:1	11.628	716.52496
PE 16:0_20:3	11.382	740.52344
PE 16:0_20:4	10.462	738.5097
PE 16:1_16:1	9.287	686.47644
PE 16:1_18:1	10.519	714.50897
PE 16:1_18:2	9.573	712.49347
PE 16:1_22:6	9.04	760.4942
PE 17:0_17:0	10.945	718.54016
PE 17:0_19:0	13.853	746.57178
PE 17:1_18:1	11.181	728.52405
PE 18:0_18:1	12.842	744.55536
PE 18:0_20:1	13.9	772.58612
PE 18:0_20:3	12.601	768.55585
PE 18:0_20:4	11.728	766.53888
PE 18:0_22:3	13.446	796.58875
PE 18:0_22:5	11.777	792.55554
PE 18:0_22:6	9.78	790.5412
PE 18:0_24:5	12.946	820.58807
PE 18:1_18:1	11.731	742.53949
PE 18:1_18:2	10.829	740.526
PE 18:1_19:1	12.319	756.55524
PE 18:1_20:1	12.881	770.57263
PE 18:1_20:2	12.023	768.55609
PE 18:1_20:3	11.17	766.53888
PE 18:1_20:4	10.587	764.52332
PE 18:1_22:1	13.989	798.60205
PE 18:1_22:2	13.103	796.58838
PE 18:1_22:3	12.357	794.5708
PE 18:1_22:4	11.486	792.55554
PE 18:1_22:6	10.327	788.52527
PE 18:1_24:1	15.087	826.63354
PE 18:1_24:2	14.114	824.61798
PE 18:2_18:2	9.874	738.50787
PE 22:0_18:1	15.149	800.61957
PE 24:0_18:1	16.352	828.64984
PE O-16:1_16:0	12.139	674.51379
PE O-16:1_16:1	11.022	672.49921
PE O-16:1_18:1	12.248	700.52856
PE O-16:1_20:1	13.382	728.5603
PE O-16:1_20:3	11.986	724.52917
PE O-16:1_20:4	9.789	722.51331
PE O-16:1_20:5	10.194	720.49774
PE O-16:1_21:3	12.29	738.54504
PE O-16:1_22:1	14.54	756.59143
PE O-16:1_22:3	12.867	752.56085
PE O-16:1_22:4	11.976	750.54541
PE O-16:1_22:5	11.551	748.53003
PE O-16:1_22:6	10.703	746.51428
PE O-16:1_24:6	11.518	774.54413
PE O-17:1_20:4	11.687	736.52911
PE O-17:1_22:3	13.208	766.57739
PE O-18:1_16:0	13.339	702.54559
PE O-18:1_20:4	12.308	750.54559
PE O-18:1_22:1	15.66	784.62341
PE O-18:1_22:3	14.006	780.59259
PE O-18:1_22:5	12.765	776.56085
PE O-18:1_22:6	11.968	774.54395
PE O-18:1_24:5	13.474	804.59363
PE O-18:1_24:6	12.71	802.57568
PE O-18:2_16:1	11.249	698.51251
PE O-18:2_18:1	12.346	726.54584
PE O-18:2_20:1	13.57	754.57617
PE O-18:2_22:1	14.583	782.60712
PE O-18:2_22:2	13.677	780.59277
PE O-18:2_22:3	12.867	778.57703
PE O-18:2_22:4	11.97	776.56091
PE O-18:2_22:5	11.212	774.54468
PE O-18:2_22:6	10.801	772.52911
PE O-18:2_24:5	12.408	802.57867
PE O-18:2_24:6	11.597	800.56213
PE O-20:1_16:0	12.123	730.57367
PE O-20:1_20:4	13.492	778.57764
PE O-20:1_22:6	13.145	802.57812
PG 14:0_18:1	9.027	719.48676
PG 16:0_18:1	10.198	747.51978
PG 17:0_19:0	12.337	777.56366
PG 18:1_18:1	9.518	773.53522
PG 18:1_18:2	8.78	771.51825
PG 18:1_20:2	9.779	799.55096
PG 18:1_20:3	9.129	797.53387
PG 18:1_20:4	8.671	795.5191
PG 18:1_22:6	8.313	819.51965
PS 16:0_16:0	10.052	734.49976
PS 16:0_16:1	9.045	732.48193
PS 16:0_18:1	10.187	760.51447
PS 16:1_18:1	9.151	758.49982
PS 18:0_18:1	11.397	788.54651
PS 18:0_20:3	8.038	812.54437
PS 18:0_20:4	10.299	810.53015
PS 18:0_22:6	9.985	834.5293
PS 18:1_18:1	7.363	786.53009
PS 18:1_18:2	9.382	784.51483
PS 18:1_20:1	8.883	814.56189
PS 18:1_20:3	9.783	810.53058
PS 40:6	6.505	834.52954
PS 40:7	8.923	832.51447
PS O-18:0_18:1	12.213	774.56677
METABOLITES_END
#END